*HEADER   ELECTRON TRANSPORT                      17-FEB-98   1JHB    
*TITLE    HUMAN GLUTAREDOXIN IN FULLY REDUCED FORM, NMR, 20 STRUCTURES
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: GLUTAREDOXIN;                                    
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_VECTOR: PET                              
*KEYWDS   GLUTAREDOXIN, GLUTAREDOXIN, OXIDOREDUCTASE, NMR, ELECTRON   
*KEYWDS  2 TRANSPORT                                                  
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   C.SUN,J.H.BUSHWELLER                                        
*REVDAT  1   26-AUG-98 1JHB    0                                      
 
  2 ALA
         QB     56 GLU- QB      6.78                
         QB     57 ILE  HA      4.30                
         QB     57 ILE  QD1     7.00                
         QB     60 TYR  HB2     6.00                
         QB     60 TYR  HB3     6.00                
  3 GLN
         HA     60 TYR  QD      7.00                
         HA     60 TYR  QE      7.00                
         QB      7 ASN  HD22    6.00                
  4 GLU-
         HN      4 GLU- QG      6.00                
         HN      5 PHE  HN      3.60                
         HA      4 GLU- QG      3.20                
         HA      5 PHE  HN      3.60                
         HA      7 ASN  HN      4.50                
         HA      7 ASN  QB      4.70                
         HA      8 CYS  HN      4.80                
         QG      5 PHE  HN      6.00                
         QG      8 CYS  HA      6.00                
  5 PHE
         HN      5 PHE  HB2     3.00                
         HN      5 PHE  HB3     3.00                
         HN      6 VAL  HN      3.00                
         HB2     6 VAL  HN      4.10                
         HB3     6 VAL  HN      3.30                
         QE     48 ILE  HA      7.00                
  6 VAL
         HN      6 VAL  HB      2.90                
         HN      6 VAL  QG2     3.40                
         HN      7 ASN  HN      3.00                
         HA      6 VAL  QG1     3.40                
         HA      6 VAL  QG2     3.40                
         HA      7 ASN  HN      3.60                
         HA      9 LYS+ HN      4.50                
         HA     18 PHE  HZ      3.30                
         HB      7 ASN  HN      3.10                
         HB     60 TYR  QD      6.30                
         HB     60 TYR  QE      6.40                
         QG1     7 ASN  HN      5.60                
         QG1     7 ASN  HA      4.00                
         QG1    10 ILE  QD1     4.70                
         QG1    18 PHE  HZ      3.60                
         QG1    60 TYR  QE      6.30                
         QG1    61 LEU  QQD     5.97                
         QG2     7 ASN  HN      5.50                
         QG2    18 PHE  HB3     4.60                
         QG2    18 PHE  QD      8.00                
         QG2    60 TYR  QE      8.00                
         QG2    61 LEU  QQD     7.87                
  7 ASN
         HN      8 CYS  HN      3.30                
         HA     10 ILE  HN      4.70                
         HA     10 ILE  HB      4.80                
         HA     10 ILE  QD1     4.00                
         HD22   64 LEU  QQD     5.47                
  8 CYS
         HN      9 LYS+ HN      3.10                
  9 LYS+
         HN      9 LYS+ HB2     3.20                
         HN     10 ILE  HN      2.90                
         HA      9 LYS+ HD2     3.70                
         HA      9 LYS+ HD3     3.70                
         HA      9 LYS+ QD      3.30                
         HB2    10 ILE  HN      4.20                
         HB2    16 VAL  QG1     5.20                
         HB2    18 PHE  HZ      5.00                
         HB3    16 VAL  QG1     3.80                
         HB3    46 VAL  QG2     5.40                
         QD     46 VAL  QG2     5.58                
         HE2    46 VAL  QG1     5.90                
         HE2    46 VAL  QG2     6.00                
         HE3    46 VAL  QG1     5.90                
         HE3    46 VAL  QG2     6.00                
         QE     46 VAL  QG2     5.64                
 10 ILE
         HN     10 ILE  HB      2.80                
         HN     10 ILE  HG12    4.20                
         HN     10 ILE  HG13    4.20                
         HN     10 ILE  QG1     3.50                
         HN     10 ILE  QD1     3.50                
         HA     10 ILE  QG2     3.40                
         HA     11 GLN  HN      2.60                
         HA     16 VAL  QG1     5.90                
         HA     16 VAL  QG2     3.70                
         HB     10 ILE  QD1     3.40                
         QG2    10 ILE  QD1     4.40                
         QG2    11 GLN  HN      3.90                
         QG2    74 PHE  QB      6.28                
         QG2    77 LYS+ HN      5.70                
         QG2    77 LYS+ HA      3.40                
         QD1    64 LEU  QQD     6.77                
         QD1    74 PHE  QR      7.90                
         QD1    77 LYS+ HA      4.80                
 11 GLN
         HN     16 VAL  QG2     6.00                
         HA     12 PRO  QD      3.50                
         HA     77 LYS+ QG      5.88                
         QG     12 PRO  QD      7.00                
         QG     13 GLY  HN      6.00                
 12 PRO
         HA     13 GLY  HN      2.80                
         HA     14 LYS+ HN      4.40                
         HA     77 LYS+ HN      3.50                
         HB2    13 GLY  HN      4.50                
         HB3    13 GLY  HN      4.50                
         QD     77 LYS+ QD      7.00                
 13 GLY
         HN     13 GLY  HA1     2.90                
         HN     13 GLY  HA2     2.80                
         HN     14 LYS+ HN      3.20                
         HN     76 GLY  HA1     4.00                
         HN     76 GLY  HA2     3.90                
         HN     77 LYS+ QB      5.88                
         HN    102 ILE  QD1     5.60                
         HA1   102 ILE  HB      3.40                
         HA1   102 ILE  QD1     4.30                
         HA2   102 ILE  HA      5.00                
         HA2   102 ILE  HB      3.80                
         HA2   102 ILE  QD1     4.70                
 14 LYS+
         HN     14 LYS+ HB2     3.60                
         HN     14 LYS+ HB3     3.50                
         HN     14 LYS+ QG      6.00                
         HN     76 GLY  HN      4.20                
         HN     76 GLY  HA1     3.30                
         HN     76 GLY  HA2     4.10                
         HN    102 ILE  QD1     5.20                
         HA     15 VAL  HN      2.60                
         HA     42 LEU  HB2     4.20                
         HA     42 LEU  HB3     3.90                
         HA     42 LEU  QQD     6.17                
         HA    102 ILE  QD1     5.20                
         HB2    15 VAL  HN      4.60                
         HB2    16 VAL  QG2     4.50                
         HB3    15 VAL  HN      3.70                
         HB3    16 VAL  QG2     4.80                
         QG     15 VAL  HN      5.30                
         QG     16 VAL  QG2     5.50                
         QG     42 LEU  HA      4.50                
         QE     16 VAL  QG2     4.88                
         QE     42 LEU  HA      5.78                
 15 VAL
         HN     15 VAL  HB      3.00                
         HN     15 VAL  QG2     3.50                
         HN     16 VAL  QG2     5.90                
         HN     38 ILE  QG2     5.40                
         HN     42 LEU  HB3     5.00                
         HN     43 LEU  HA      3.70                
         HA     15 VAL  QG1     3.40                
         HA     15 VAL  QG2     3.40                
         HA     16 VAL  HN      2.60                
         HA     75 ILE  HA      2.80                
         HA     76 GLY  HN      3.50                
         HB     38 ILE  QG2     5.70                
         HB     38 ILE  QD1     5.90                
         HB     43 LEU  HA      3.00                
         HB     43 LEU  QQD     4.97                
         QG1    75 ILE  HA      5.30                
         QG1    76 GLY  HN      5.70                
         QG2    75 ILE  HA      4.30                
         QG2    76 GLY  HN      5.50                
         QG2   104 ALA  QB      4.60                
 16 VAL
         HN     16 VAL  HB      3.10                
         HN     16 VAL  QG2     3.40                
         HN     74 PHE  HN      4.30                
         HN     74 PHE  QB      4.98                
         HA     16 VAL  QG1     3.40                
         HA     16 VAL  QG2     3.40                
         HA     17 VAL  HN      2.50                
         HA     44 GLU- HN      3.10                
         HB     74 PHE  HB2     4.70                
         HB     74 PHE  HB3     4.70                
         HB     74 PHE  QB      4.23                
         QG1    17 VAL  HN      3.80                
         QG1    17 VAL  HA      5.00                
         QG1    18 PHE  QD      8.00                
         QG1    18 PHE  QE      7.40                
         QG1    18 PHE  HZ      6.00                
         QG1    74 PHE  QB      6.88                
         QG2    44 GLU- HN      4.50                
 17 VAL
         HN     17 VAL  HB      3.30                
         HN     17 VAL  QG2     3.40                
         HN     43 LEU  QQD     7.57                
         HN     44 GLU- HN      3.80                
         HN     45 PHE  HA      3.40                
         HN     46 VAL  HN      4.20                
         HN     46 VAL  QG2     6.00                
         HA     17 VAL  QG1     3.40                
         HA     17 VAL  QG2     3.40                
         HA     18 PHE  HN      2.50                
         HA     73 VAL  HA      3.00                
         HA     74 PHE  HN      4.10                
         HB     19 ILE  QG2     5.30                
         HB     45 PHE  HA      3.20                
         HB     45 PHE  QD      6.40                
         QG1    18 PHE  HN      3.70                
         QG1    71 PRO  HB2     4.10                
         QG1    71 PRO  HB3     4.10                
         QG1    71 PRO  QB      3.66                
         QG1    73 VAL  HA      5.90                
         QG2    18 PHE  HN      5.90                
         QG2    73 VAL  HA      4.00                
         QG2    74 PHE  HN      5.80                
 18 PHE
         HN     18 PHE  HB2     3.40                
         HN     72 ARG+ HN      3.40                
         HA     19 ILE  HN      2.60                
         HA     46 VAL  HN      3.00                
         HA     46 VAL  HB      2.80                
         HA     46 VAL  QG1     4.50                
         HA     46 VAL  QG2     4.80                
         HA     48 ILE  QG2     4.50                
         HB2    48 ILE  QG2     6.00                
         HB2    70 VAL  QG1     5.00                
         HB2    72 ARG+ QB      6.00                
         HB3    48 ILE  QG2     4.00                
         HB3    61 LEU  QQD     6.57                
         HB3    70 VAL  QG1     4.10                
         HB3    72 ARG+ QB      6.00                
         QD     46 VAL  HB      7.00                
         QD     46 VAL  QG1     6.30                
         QD     48 ILE  QG2     5.90                
         QD     61 LEU  QQD     9.57                
         QD     72 ARG+ QB      8.00                
         QE     46 VAL  QG1     7.20                
 19 ILE
         HN     19 ILE  QG2     4.60                
         HN     19 ILE  HG12    3.50                
         HN     19 ILE  HG13    3.50                
         HN     19 ILE  QD1     4.90                
         HN     46 VAL  HN      3.90                
         HN     47 ASP- HA      3.80                
         HN     48 ILE  QG2     4.40                
         HA     19 ILE  HB      2.80                
         HA     19 ILE  QG2     3.40                
         HA     20 LYS+ HN      2.80                
         HA     70 VAL  HB      2.90                
         HA     70 VAL  QG1     3.90                
         HA     70 VAL  QG2     5.20                
         HA     71 PRO  HA      3.20                
         HB     19 ILE  QD1     3.50                
         HB     20 LYS+ HN      2.80                
         HB     26 CYS  HB2     4.00                
         HB     26 CYS  HB3     3.00                
         QG2    20 LYS+ HN      4.30                
         QG2    26 CYS  HA      5.10                
         QG2    26 CYS  HB2     4.90                
         QG2    26 CYS  HB3     3.60                
         QG2    45 PHE  QD      6.70                
         QG2    71 PRO  HA      6.00                
         HG12   47 ASP- HA      4.50                
         HG13   47 ASP- HA      4.50                
         QG1    45 PHE  HB3     5.88                
         QG1    47 ASP- HA      3.89                
         QD1    20 LYS+ HN      6.00                
         QD1    20 LYS+ HA      6.00                
         QD1    21 PRO  HA      4.10                
         QD1    26 CYS  HB3     6.00                
         QD1    45 PHE  HB2     4.50                
         QD1    45 PHE  HB3     4.10                
         QD1    45 PHE  QD      8.00                
         QD1    46 VAL  HN      6.00                
         QD1    47 ASP- HN      6.00                
         QD1    47 ASP- HA      4.00                
         QD1    47 ASP- HB2     6.00                
 20 LYS+
         HN     20 LYS+ HB2     4.10                
         HN     23 CYS  QB      5.80                
         HN     26 CYS  HB3     5.00                
         HA     21 PRO  HD2     2.80                
         HA     21 PRO  HD3     2.80                
         HA     21 PRO  QD      2.51                
         HA     49 THR  QG2     4.10                
         HB2    21 PRO  QD      4.98                
         HB2    23 CYS  HN      4.40                
         HB2    23 CYS  QB      5.10                
         HB2    49 THR  QG2     3.40                
         HB3    49 THR  QG2     4.50                
         QE     48 ILE  QD1     5.30                
         QE     49 THR  QG2     7.00                
         QE     54 THR  QG2     5.90                
         QE     70 VAL  QG2     6.40                
 21 PRO
         QG     22 THR  QG2     5.60                
         HD2    49 THR  QG2     4.10                
         HD3    49 THR  QG2     4.10                
         QD     49 THR  QG2     3.66                
 22 THR
         HA     22 THR  HB      2.70                
         HA     22 THR  QG2     3.40                
 23 CYS
         HN     23 CYS  QB      3.50                
         HN     26 CYS  HB2     5.00                
         HA     24 PRO  HD2     2.50                
         HA     24 PRO  HD3     2.50                
         QB     26 CYS  HN      5.00                
         QB     26 CYS  HB2     4.70                
         QB     26 CYS  HB3     5.50                
         QB     70 VAL  QG2     7.00                
 24 PRO
         HA     27 ARG+ HN      3.80                
         HA     27 ARG+ QB      4.00                
         HA     27 ARG+ QD      6.00                
         HA     28 ARG+ HN      4.90                
         QG     25 TYR  HN      5.15                
         HD2    25 TYR  HN      5.00                
         HD3    25 TYR  HN      5.00                
         QD     25 TYR  HN      4.53                
 25 TYR
         HN     25 TYR  HB2     3.30                
         HN     25 TYR  HB3     4.10                
         HN     26 CYS  HN      2.70                
         HA     28 ARG+ HN      3.90                
         HA     28 ARG+ HB2     3.80                
         HA     28 ARG+ HB3     3.80                
         HA     28 ARG+ QB      3.31                
         HA     29 ALA  HN      4.60                
         HB2    26 CYS  HN      3.90                
         HB2    71 PRO  HD2     4.70                
         HB2    71 PRO  HD3     4.70                
         HB2    71 PRO  QD      4.47                
         HB3    26 CYS  HN      4.70                
         HB3    71 PRO  HD2     5.00                
         HB3    71 PRO  HD3     5.00                
 26 CYS
         HN     26 CYS  HB2     3.20                
         HN     27 ARG+ HN      3.20                
         HN     71 PRO  QD      5.88                
         HA     29 ALA  HN      4.40                
         HA     29 ALA  QB      3.80                
         HA     71 PRO  HB2     5.00                
         HA     71 PRO  HB3     5.00                
         HA     71 PRO  QB      4.40                
         HB2    27 ARG+ HN      3.30                
         HB3    27 ARG+ HN      4.20                
 27 ARG+
         HN     27 ARG+ QB      3.60                
         HN     27 ARG+ HG2     5.00                
         HN     27 ARG+ HG3     5.00                
         HN     27 ARG+ QG      4.49                
         HN     28 ARG+ HN      3.20                
         HA     27 ARG+ HG2     2.70                
         HA     27 ARG+ HG3     2.70                
         HA     27 ARG+ QD      5.70                
         QB     28 ARG+ HN      4.30                
         QD     28 ARG+ QB      6.88                
 28 ARG+
         HN     28 ARG+ HB2     3.10                
         HN     28 ARG+ HB3     3.10                
         HN     29 ALA  HN      3.00                
         HA     28 ARG+ HD2     5.00                
         HA     28 ARG+ HD3     5.00                
         HA     28 ARG+ QD      4.35                
         HA     31 GLU- HN      3.90                
         HB2    29 ALA  HN      3.50                
         HB3    29 ALA  HN      3.50                
         QB     29 ALA  HN      3.29                
         QG     29 ALA  HN      6.00                
         QG     32 ILE  QG2     5.20                
         QG     32 ILE  QD1     4.70                
         QD     87 VAL  QG2     6.88                
 29 ALA
         HN     29 ALA  QB      3.40                
         HN     30 GLN  HN      3.30                
         HA     32 ILE  HN      3.60                
         HA     32 ILE  HB      3.20                
         HA     32 ILE  QD1     4.00                
         HA     86 LEU  QQD     4.97                
         QB     30 GLN  HN      3.40                
         QB     71 PRO  HB2     5.80                
         QB     71 PRO  HB3     5.80                
         QB     71 PRO  QB      5.58                
         QB     71 PRO  QG      4.60                
 30 GLN
         HN     30 GLN  HA      2.90                
         HN     30 GLN  HB2     2.90                
         HN     30 GLN  HB3     3.40                
         HN     30 GLN  HG2     5.00                
         HN     30 GLN  HG3     3.50                
         HN     31 GLU- HN      2.90                
         HA     30 GLN  HB2     3.00                
         HA     30 GLN  HB3     2.90                
         HA     30 GLN  HG2     3.90                
         HA     30 GLN  HG3     3.20                
         HA     33 LEU  HN      4.00                
         HA     33 LEU  HB2     4.10                
         HA     34 SER  HN      3.80                
         HA     45 PHE  QE      5.70                
         HA     45 PHE  HZ      3.20                
         HB2    31 GLU- HN      3.40                
         HB3    30 GLN  HG2     2.90                
         HB3    31 GLU- HN      3.30                
         HG3    31 GLU- HN      5.00                
         HG3    34 SER  HN      5.00                
 31 GLU-
         HN     31 GLU- HB3     3.10                
         HN     31 GLU- HG2     4.30                
         HN     31 GLU- HG3     4.30                
         HN     31 GLU- QG      3.82                
         HN     32 ILE  HN      3.20                
         HN     33 LEU  HN      4.00                
         HA     34 SER  HN      3.40                
         HB2    32 ILE  HN      3.90                
         HB3    32 ILE  HN      3.90                
 32 ILE
         HN     32 ILE  HB      2.50                
         HN     32 ILE  QG1     4.58                
         HN     32 ILE  QD1     4.70                
         HN     33 LEU  HN      2.90                
         HN     86 LEU  QQD     7.27                
         HA     32 ILE  QG2     3.40                
         HA     32 ILE  HG12    3.40                
         HA     32 ILE  HG13    3.40                
         HA     32 ILE  QG1     3.04                
         HB     33 LEU  HN      3.10                
         HB     34 SER  HN      5.00                
         HB     86 LEU  QQD     6.67                
         QG2    33 LEU  HN      3.90                
         QG2    33 LEU  HA      3.80                
         QG2    90 GLN  HG2     6.00                
         QG2    90 GLN  HG3     6.00                
         QG2    90 GLN  HE21    6.00                
         QG2    90 GLN  HE22    5.90                
         QD1    87 VAL  HN      6.00                
         QD1    87 VAL  HA      3.60                
 33 LEU
         HN     33 LEU  HB2     3.00                
         HN     33 LEU  HB3     3.60                
         HN     33 LEU  HG      3.40                
         HN     33 LEU  QQD     7.07                
         HN     34 SER  HN      3.20                
         HA     33 LEU  HG      3.10                
         HA     36 LEU  HN      4.80                
         HA     36 LEU  HG      4.20                
         HA     36 LEU  QQD     5.07                
         HA     38 ILE  QD1     5.20                
         HB2    34 SER  HN      3.60                
         HB2    43 LEU  QQD     7.27                
         HB3    43 LEU  QQD     5.47                
         HG     73 VAL  QG2     4.00                
 34 SER
         HN     34 SER  QB      3.70                
         HN     35 GLN  HN      3.10                
         HA     43 LEU  HG      3.70                
 35 GLN
         HN     35 GLN  HB2     2.80                
         HN     35 GLN  HB3     3.70                
         HN     35 GLN  HG2     4.20                
         HN     35 GLN  HG3     4.30                
         HN     36 LEU  HN      2.70                
         HA     35 GLN  HB3     3.00                
         HA     35 GLN  HG2     3.30                
         HA     35 GLN  HG3     4.00                
         HA     36 LEU  HN      3.50                
 36 LEU
         HN     36 LEU  HB2     3.00                
         HN     36 LEU  HB3     3.50                
         HN     36 LEU  HG      3.70                
         HN     36 LEU  QQD     4.97                
         HN     38 ILE  QD1     6.00                
         HA     37 PRO  HD2     2.70                
         HA     37 PRO  HD3     2.70                
         HA     37 PRO  QD      2.40                
         HB2    37 PRO  QD      5.88                
         HB3    37 PRO  HD2     3.90                
         HB3    37 PRO  HD3     3.90                
         HB3    37 PRO  QD      3.37                
         QD1    37 PRO  HD2     7.14                
         QD1    37 PRO  HD3     7.14                
         QD2    37 PRO  HD2     7.14                
         QD2    37 PRO  HD3     7.14                
         QQD    37 PRO  QD      5.20                
 37 PRO
         HA     38 ILE  HN      2.70                
         HD2    96 LEU  QD1     7.75                
         HD2    96 LEU  QD2     7.75                
         HD2   105 LEU  QD1     9.14                
         HD2   105 LEU  QD2     9.14                
         HD3    96 LEU  QD1     7.75                
         HD3    96 LEU  QD2     7.75                
         HD3   105 LEU  QD1     9.14                
         HD3   105 LEU  QD2     9.14                
         QD     96 LEU  QQD     6.69                
         QD    105 LEU  QQD     6.72                
 38 ILE
         HN     38 ILE  HB      2.60                
         HN     38 ILE  QG2     4.50                
         HN     38 ILE  HG12    5.00                
         HN     38 ILE  HG13    5.00                
         HN     38 ILE  QG1     4.44                
         HN     38 ILE  QD1     4.70                
         HN    105 LEU  QQD     7.57                
         HA     38 ILE  QG2     3.40                
         HA     38 ILE  HG12    3.80                
         HA     38 ILE  HG13    3.80                
         HA     38 ILE  QG1     3.55                
         HA     38 ILE  QD1     4.80                
         HA     39 LYS+ HN      2.60                
         HA    104 ALA  QB      4.60                
         HA    105 LEU  QQD     4.97                
         HA    106 GLN  HN      4.20                
         HA    106 GLN  QB      5.68                
         HB     42 LEU  QQD     7.57                
         QG2    39 LYS+ HN      3.40                
         QG2    43 LEU  HN      5.20                
         QG2    43 LEU  HA      6.00                
         QG2   104 ALA  HA      4.70                
         QD1    39 LYS+ HN      6.00                
 39 LYS+
         HN     39 LYS+ HB2     3.20                
         HN     39 LYS+ HB3     3.80                
         HN     39 LYS+ HG2     3.60                
         HN     39 LYS+ HG3     3.60                
         HN     39 LYS+ QG      3.39                
         HN     39 LYS+ QD      6.00                
         HN     39 LYS+ QE      6.00                
         HN     42 LEU  QQD     7.57                
         HN    104 ALA  HA      4.90                
         HN    104 ALA  QB      6.00                
         HN    105 LEU  HA      4.10                
         HN    105 LEU  QQD     7.57                
         HA     39 LYS+ QE      5.50                
         HA    104 ALA  HA      4.50                
         HB2    42 LEU  QQD     5.07                
         HB3    40 GLN  HN      3.40                
         QD    104 ALA  HA      6.00                
         QD    106 GLN  HN      6.00                
         QE     42 LEU  QQD     8.57                
         QE    104 ALA  HA      6.00                
 40 GLN
         HN     40 GLN  HB2     3.20                
         HN     40 GLN  HB3     3.10                
         HN     40 GLN  QG      6.00                
         HN     42 LEU  HG      5.00                
         HA     41 GLY  HN      2.60                
         HA     42 LEU  HN      4.50                
         QG     41 GLY  HN      6.00                
 41 GLY
         HN     42 LEU  HN      3.20                
         HN     43 LEU  HN      4.10                
 42 LEU
         HN     42 LEU  HB2     3.70                
         HN     42 LEU  HB3     3.50                
         HN     42 LEU  HG      4.00                
         HN     42 LEU  QD1     4.70                
         HN     42 LEU  QD2     4.70                
         HN     42 LEU  QQD     4.22                
         HN     43 LEU  HN      2.60                
         HA     42 LEU  HB3     2.60                
         HA     42 LEU  QD1     4.30                
         HA     42 LEU  QD2     4.30                
         HA     42 LEU  QQD     3.54                
         HB3    42 LEU  QD1     3.70                
         HB3    42 LEU  QD2     3.70                
         HG    104 ALA  HA      3.90                
         QD1   104 ALA  HA      5.20                
         QD2   104 ALA  HA      5.20                
         QQD   104 ALA  HA      4.28                
 43 LEU
         HN     43 LEU  HB2     2.80                
         HN     43 LEU  HB3     3.80                
         HN     43 LEU  QQD     7.57                
         HA     43 LEU  HB3     2.90                
         HA     44 GLU- HN      2.50                
         HG     44 GLU- HN      5.00                
         HG     45 PHE  HZ      3.70                
         QQD    44 GLU- HN      4.97                
         QQD    45 PHE  HZ      6.17                
         QQD    75 ILE  QD1     5.97                
 44 GLU-
         HN     44 GLU- QG      5.88                
         HA     44 GLU- HG2     2.80                
         HA     44 GLU- HG3     2.80                
         HA     44 GLU- QG      2.56                
         HA     45 PHE  HN      2.50                
         HG2    45 PHE  HN      4.40                
         HG2    46 VAL  QG2     5.20                
         HG3    45 PHE  HN      4.40                
         HG3    46 VAL  QG2     5.20                
         QG     45 PHE  HN      4.21                
         QG     46 VAL  QG2     4.34                
 45 PHE
         HN     45 PHE  HB2     3.10                
         HN     45 PHE  HB3     3.80                
         HA     46 VAL  HN      2.50                
         HB3    46 VAL  HN      4.70                
 46 VAL
         HN     46 VAL  HB      3.00                
         HN     46 VAL  QG1     4.40                
         HN     46 VAL  QG2     3.50                
         HA     46 VAL  QG1     3.40                
         HA     46 VAL  QG2     3.40                
         HA     47 ASP- HN      2.50                
         QG1    47 ASP- HN      4.30                
 47 ASP-
         HN     47 ASP- HB2     3.10                
         HN     47 ASP- HB3     2.80                
         HN     50 ALA  QB      6.00                
         HA     48 ILE  HN      2.60                
         HB2    50 ALA  QB      6.00                
         HB3    50 ALA  QB      3.80                
 48 ILE
         HN     48 ILE  QG2     3.40                
         HN     48 ILE  HG12    4.30                
         HN     48 ILE  HG13    4.30                
         HN     48 ILE  QG1     3.60                
         HN     49 THR  HN      3.00                
         HN     49 THR  QG2     5.80                
         HA     48 ILE  HB      2.80                
         HA     48 ILE  QG2     3.40                
         HA     57 ILE  QG2     5.10                
         HA     57 ILE  QD1     4.40                
         HB     54 THR  QG2     5.10                
         HB     57 ILE  QG2     4.00                
         QG2    57 ILE  QG2     4.40                
         QG2    57 ILE  QD1     6.20                
         QG2    61 LEU  QQD     7.07                
         QD1    58 GLN  HG2     4.20                
         QD1    58 GLN  HG3     4.20                
         QD1    58 GLN  QG      3.72                
 49 THR
         HN     49 THR  QG2     3.40                
         HN     50 ALA  HN      2.90                
         HN     50 ALA  QB      6.00                
         HA     49 THR  HB      2.80                
         HA     49 THR  QG2     3.80                
 50 ALA
         HN     50 ALA  QB      3.40                
         HN     51 THR  HN      3.50                
 51 THR
         HN     52 ASN  HN      4.70                
         HA     51 THR  QG2     3.50                
 53 HIS
         HN     54 THR  HN      3.40                
         HA     54 THR  HN      3.40                
         HA     56 GLU- HN      4.20                
         HB2    57 ILE  QD1     6.00                
         HB3    56 GLU- HB2     5.00                
         HB3    56 GLU- HB3     5.00                
         HB3    56 GLU- QB      4.40                
         HB3    57 ILE  QD1     6.00                
 54 THR
         HN     54 THR  HB      3.20                
         HN     55 ASN  HN      3.60                
         HA     54 THR  HB      2.80                
         HA     54 THR  QG2     3.60                
         HA     57 ILE  HB      4.30                
         HA     57 ILE  QG2     5.10                
         HA     57 ILE  QD1     6.00                
         HB     55 ASN  HN      3.70                
         QG2    58 GLN  QG      5.98                
 55 ASN
         HN     56 GLU- HN      3.30                
         HA     58 GLN  HN      4.10                
         HA     58 GLN  QB      4.88                
         QB     56 GLU- HN      4.50                
 56 GLU-
         HN     56 GLU- HG2     3.90                
         HN     56 GLU- HG3     3.90                
         HN     56 GLU- QG      3.70                
         HA     56 GLU- HG2     3.60                
         HA     56 GLU- HG3     3.60                
         HA     56 GLU- QG      3.34                
         HA     59 ASP- HN      3.80                
         HA     59 ASP- HB2     3.30                
         HA     59 ASP- HB3     3.80                
 57 ILE
         HN     57 ILE  HB      2.70                
         HN     57 ILE  QG1     3.88                
         HN     57 ILE  QD1     5.00                
         HA     57 ILE  QG2     3.40                
         HA     57 ILE  HG12    3.90                
         HA     57 ILE  HG13    3.90                
         HA     57 ILE  QG1     3.46                
         HA     60 TYR  HN      5.00                
         HA     60 TYR  HB2     4.40                
         HA     60 TYR  HB3     3.70                
         HA     60 TYR  QD      7.00                
         HB     57 ILE  QD1     3.50                
         HB     58 GLN  HN      3.50                
         QG2    57 ILE  QD1     4.40                
         QG2    58 GLN  HA      5.70                
         QG2    61 LEU  HG      3.70                
 58 GLN
         HN     58 GLN  QB      3.81                
         HN     58 GLN  QG      4.28                
         HA     58 GLN  HG2     4.10                
         HA     58 GLN  HG3     4.10                
         HA     58 GLN  QG      3.76                
         HA     61 LEU  HN      4.20                
         HA     61 LEU  QQD     5.67                
         HB2    59 ASP- HN      3.70                
         HB3    59 ASP- HN      3.70                
         QB     58 GLN  QG      2.48                
         QB     59 ASP- HN      3.49                
         HE21   69 THR  HA      5.00                
 59 ASP-
         HN     59 ASP- HB2     3.20                
         HN     59 ASP- HB3     3.50                
         HN     60 TYR  HN      3.20                
         HA     62 GLN  HN      4.00                
         HA     62 GLN  HB3     4.60                
         HB2    60 TYR  HN      3.20                
         HB3    60 TYR  HN      3.80                
 60 TYR
         HN     60 TYR  HB2     3.00                
         HN     60 TYR  HB3     2.90                
         HN     61 LEU  HN      3.10                
         HA     60 TYR  HB2     2.90                
         HA     63 GLN  HN      3.70                
         HA     63 GLN  HB2     3.60                
         HA     63 GLN  HB3     3.60                
         HA     63 GLN  QB      3.39                
         HB2    61 LEU  HN      4.60                
         HB3    61 LEU  HN      4.10                
         QD     64 LEU  QQD     9.57                
         QE     64 LEU  QD1     8.00                
         QE     64 LEU  QD2     8.00                
         QE     64 LEU  QQD     7.30                
 61 LEU
         HN     61 LEU  HB2     3.30                
         HN     61 LEU  HB3     3.90                
         HN     61 LEU  HG      3.10                
         HN     61 LEU  QQD     6.37                
         HN     62 GLN  HN      3.00                
         HA     64 LEU  HN      3.90                
         HA     64 LEU  HB2     4.90                
         HA     64 LEU  HB3     4.90                
         HA     64 LEU  QB      4.39                
         HA     64 LEU  QQD     7.57                
         HA     65 THR  QG2     4.70                
         HB2    61 LEU  QD1     3.70                
         HB2    61 LEU  QD2     3.70                
         HB2    62 GLN  HN      3.20                
         HB3    61 LEU  QD1     3.70                
         HB3    61 LEU  QD2     3.70                
         HB3    62 GLN  HN      4.30                
         HB3    68 ARG+ HA      5.00                
         HB3    72 ARG+ QD      6.00                
         QD1    72 ARG+ QB      7.00                
         QD1    72 ARG+ HG2     5.90                
         QD1    72 ARG+ HG3     5.90                
         QD2    72 ARG+ QB      7.00                
         QD2    72 ARG+ HG2     5.90                
         QD2    72 ARG+ HG3     5.90                
         QQD    65 THR  QG2     7.47                
         QQD    72 ARG+ QG      5.16                
         QQD    72 ARG+ HE      5.77                
         QQD    74 PHE  QR      9.97                
 62 GLN
         HN     62 GLN  HB2     3.10                
         HN     62 GLN  HB3     3.20                
         HN     63 GLN  HN      3.30                
         HN     68 ARG+ HA      3.60                
         HA     62 GLN  HG2     3.80                
         HA     62 GLN  HG3     3.80                
         HA     62 GLN  QG      3.40                
         HA     66 GLY  HN      3.40                
         HA     66 GLY  QA      5.58                
         HA     67 ALA  HN      3.00                
         HB2    63 GLN  HN      3.70                
         HB2    68 ARG+ HA      4.70                
         HB3    63 GLN  HN      3.50                
 63 GLN
         HN     63 GLN  HB2     3.10                
         HN     63 GLN  HB3     3.10                
         HN     63 GLN  HG2     5.00                
         HN     63 GLN  HG3     5.00                
         HN     63 GLN  QG      4.63                
         HN     64 LEU  HN      3.30                
         HA     63 GLN  HG2     4.00                
         HA     63 GLN  HG3     4.00                
         HA     63 GLN  QG      3.70                
         HB2    64 LEU  HN      3.40                
         HB3    64 LEU  HN      3.40                
 64 LEU
         HN     64 LEU  QB      3.49                
         HN     64 LEU  QQD     7.57                
         HA     64 LEU  HG      4.00                
         HA     64 LEU  QD1     4.80                
         HA     64 LEU  QD2     4.80                
         HA     64 LEU  QQD     4.28                
         QB     65 THR  HN      4.48                
         HG     65 THR  HB      5.00                
         QQD    74 PHE  HZ      7.57                
 65 THR
         HN     65 THR  QG2     3.40                
         HN     66 GLY  HN      2.50                
         HA     65 THR  HB      2.60                
         HA     65 THR  QG2     3.40                
         HB     79 CYS  QB      5.88                
         QG2    66 GLY  HN      6.00                
         QG2    72 ARG+ QB      6.60                
         QG2    72 ARG+ QD      7.00                
         QG2    74 PHE  QR      8.40                
         QG2    79 CYS  HB2     3.60                
         QG2    79 CYS  HB3     3.60                
         QG2    79 CYS  QB      3.39                
 66 GLY
         HN     67 ALA  HN      3.20                
         HN     67 ALA  QB      5.50                
 67 ALA
         HN     67 ALA  QB      3.60                
         HA     68 ARG+ HN      2.70                
         QB     68 ARG+ HN      3.40                
         QB     68 ARG+ HA      6.00                
         QB     69 THR  HN      4.00                
         QB     72 ARG+ QD      6.40                
 68 ARG+
         HN     68 ARG+ HG2     4.70                
         HN     68 ARG+ HG3     4.70                
         HN     68 ARG+ QG      4.42                
         HN     69 THR  HN      2.90                
         QG     69 THR  HN      5.88                
         QG     70 VAL  QG2     6.88                
 69 THR
         HN     69 THR  HB      4.20                
         HA     69 THR  HB      2.90                
         HA     69 THR  QG2     3.40                
         HA     70 VAL  HN      2.50                
         HA     70 VAL  QG2     4.30                
         HB     70 VAL  HN      3.10                
         QG2    70 VAL  HN      4.80                
 70 VAL
         HN     70 VAL  QG1     3.90                
         HN     70 VAL  QG2     3.40                
         HA     70 VAL  HB      3.00                
         HA     70 VAL  QG1     3.40                
         HA     71 PRO  HA      2.90                
         HA     72 ARG+ HN      4.20                
         HA     72 ARG+ QB      5.70                
         HA     72 ARG+ QG      5.58                
         HB     71 PRO  HA      2.60                
         QG1    71 PRO  HA      3.80                
         QG2    71 PRO  HA      5.80                
 71 PRO
         HA     72 ARG+ HN      2.70                
         QB     72 ARG+ HN      4.30                
         QB     73 VAL  QG2     4.88                
         QG     82 GLY  QA      6.88                
         QG     83 CYS  HN      6.00                
         QG     83 CYS  HA      6.00                
         QG     83 CYS  HB2     6.00                
         QG     83 CYS  HB3     6.00                
         QG     83 CYS  QB      5.59                
 72 ARG+
         HN     73 VAL  QG2     5.60                
         HA     72 ARG+ QD      5.90                
         HA     72 ARG+ HE      5.00                
         HA     73 VAL  HN      2.60                
         HA     73 VAL  QG2     5.20                
         QB     72 ARG+ HE      6.00                
 73 VAL
         HN     73 VAL  HB      2.90                
         HN     73 VAL  QG2     3.50                
         HN     80 ILE  QD1     6.00                
         HN     81 GLY  HN      5.00                
         HA     73 VAL  QG1     3.40                
         HA     73 VAL  QG2     3.40                
         HA     74 PHE  HN      2.70                
         HB     80 ILE  QG1     3.58                
         QG1    74 PHE  HN      3.50                
         QG1    75 ILE  HB      4.00                
         QG1    75 ILE  QG1     4.48                
         QG1    80 ILE  QG1     4.28                
         QG2    74 PHE  HN      6.00                
         QG2    80 ILE  HN      6.00                
         QG2    80 ILE  QG1     5.68                
         QG2    82 GLY  QA      6.28                
 74 PHE
         HN     74 PHE  HB2     3.60                
         HN     74 PHE  HB3     3.60                
         HN     74 PHE  QB      3.34                
         HA     75 ILE  HN      2.50                
         HA     79 CYS  HA      2.70                
         HA     79 CYS  QB      5.88                
         HA     80 ILE  HN      3.50                
         HA     80 ILE  QG2     5.90                
         QR     77 LYS+ HA      7.40                
         QR     79 CYS  QB      8.28                
 75 ILE
         HN     75 ILE  HB      3.10                
         HN     75 ILE  HG12    5.00                
         HN     75 ILE  HG13    5.00                
         HN     75 ILE  QG1     4.82                
         HN     75 ILE  QD1     5.70                
         HN     78 ASP- HN      4.30                
         HA     75 ILE  HB      2.90                
         HA     75 ILE  QG2     3.40                
         HA     75 ILE  HG12    4.10                
         HA     75 ILE  HG13    4.10                
         HA     75 ILE  QG1     3.57                
         HA     75 ILE  QD1     4.40                
         HA     76 GLY  HN      2.60                
         HA    102 ILE  QD1     6.00                
         HB     75 ILE  QD1     3.40                
         QG2    76 GLY  HN      5.60                
         QG2    80 ILE  QG1     6.88                
         QG2    99 LEU  HA      4.40                
         QG2   102 ILE  QG1     5.98                
         QD1    76 GLY  HN      5.80                
         QD1    80 ILE  QG1     6.18                
         QD1    95 LEU  HA      6.00                
         QD1    98 ARG+ HD2     6.00                
         QD1    98 ARG+ HD3     6.00                
         QD1    99 LEU  HN      6.00                
         QD1    99 LEU  QB      6.28                
 76 GLY
         HN     76 GLY  HA1     2.80                
         HN    102 ILE  QD1     4.60                
         HA1    77 LYS+ HN      3.40                
         HA1    78 ASP- HN      4.80                
         HA1   102 ILE  QD1     5.50                
         HA2   102 ILE  QG2     5.70                
 77 LYS+
         HN     77 LYS+ HB2     3.90                
         HN     77 LYS+ HB3     3.90                
         HN     77 LYS+ QB      3.55                
         HN     77 LYS+ HG2     4.10                
         HN     77 LYS+ HG3     4.10                
         HN     77 LYS+ QG      3.81                
         HN     78 ASP- HN      3.10                
         HA     77 LYS+ QG      3.94                
         HA     77 LYS+ QD      6.00                
         HA     78 ASP- HN      3.50                
         QB     78 ASP- HN      5.88                
 78 ASP-
         HN     78 ASP- QB      3.80                
         HA     79 CYS  HN      2.50                
         QB     80 ILE  QG2     7.00                
 79 CYS
         HN     79 CYS  HB2     3.10                
         HN     79 CYS  HB3     3.10                
         HA     80 ILE  HN      2.50                
 80 ILE
         HN     80 ILE  HB      3.50                
         HN     80 ILE  QG2     3.40                
         HN     80 ILE  HG12    4.60                
         HN     80 ILE  HG13    4.60                
         HN     80 ILE  QG1     3.82                
         HN     80 ILE  QD1     4.70                
         HN     81 GLY  HN      2.80                
         HN     86 LEU  QQD     7.57                
         HA     80 ILE  HB      2.50                
         HA     80 ILE  QG2     3.40                
         HA     80 ILE  QD1     4.30                
         HA     81 GLY  HN      3.40                
         HB     80 ILE  QD1     3.40                
         HB     89 LEU  QQD     6.17                
         QG2    81 GLY  HN      6.00                
         QG2    98 ARG+ QD      6.88                
         QG1    81 GLY  HN      5.58                
         QD1    81 GLY  HN      5.30                
         QD1    85 ASP- HB2     5.80                
         QD1    85 ASP- HB3     5.80                
         QD1    85 ASP- QB      5.39                
         QD1    86 LEU  HN      5.10                
         QD1    86 LEU  HA      3.40                
         QD1    86 LEU  QB      6.48                
 81 GLY
         HN     81 GLY  HA1     2.90                
         HA1    82 GLY  HN      3.30                
         HA2    82 GLY  HN      2.90                
 82 GLY
         HN     85 ASP- HN      4.00                
         HN     85 ASP- HB2     4.00                
         HN     85 ASP- HB3     4.00                
         HN     85 ASP- QB      3.47                
 83 CYS
         HN     83 CYS  HB2     3.90                
         HN     83 CYS  HB3     3.90                
         HN     83 CYS  QB      3.70                
         HN     84 SER  HA      5.00                
         HA     86 LEU  HN      4.10                
         HA     86 LEU  HB2     3.50                
         HA     86 LEU  HB3     3.50                
         HA     86 LEU  QB      3.24                
         HA     86 LEU  QQD     6.77                
         HA     87 VAL  HN      5.00                
 84 SER
         HA     87 VAL  HN      3.80                
         HA     87 VAL  HB      3.00                
         HA     87 VAL  QG2     4.20                
         QB     87 VAL  QG2     7.00                
 85 ASP-
         HN     85 ASP- HB2     4.00                
         HN     85 ASP- HB3     4.00                
         HN     85 ASP- QB      3.47                
         HN     86 LEU  HN      3.10                
         HA     88 SER  HN      4.00                
         HA     88 SER  QB      4.50                
         HB2    86 LEU  HN      4.00                
         HB3    86 LEU  HN      4.00                
         QB     86 LEU  HN      3.56                
 86 LEU
         HN     86 LEU  HB2     3.00                
         HN     86 LEU  HB3     3.00                
         HN     86 LEU  HG      5.00                
         HN     86 LEU  QQD     7.57                
         HN     87 VAL  HN      3.10                
         HA     89 LEU  HN      3.70                
         HA     89 LEU  HB2     5.00                
         HA     89 LEU  HB3     5.00                
         HA     89 LEU  QB      4.31                
         HA     89 LEU  QQD     7.37                
         HB2    87 VAL  HN      4.50                
         HB3    87 VAL  HN      4.50                
         QB     87 VAL  HN      3.68                
         QB     89 LEU  QQD     8.45                
         QQD    90 GLN  HA      7.07                
 87 VAL
         HN     87 VAL  HB      2.60                
         HN     87 VAL  QG1     4.10                
         HN     87 VAL  QG2     3.40                
         HN     88 SER  HN      3.00                
         HA     87 VAL  QG1     3.40                
         HA     87 VAL  QG2     3.40                
         HA     90 GLN  HN      3.60                
         HA     90 GLN  HB2     3.60                
         HA     90 GLN  HB3     3.60                
         HA     90 GLN  QB      3.24                
         HA     91 GLN  HN      4.70                
         HB     88 SER  HN      3.00                
         QG1    88 SER  HN      4.50                
         QG1    88 SER  QB      7.00                
         QG1    91 GLN  HN      6.00                
         QG1    91 GLN  QG      4.58                
 88 SER
         HN     88 SER  QB      3.60                
         HN     89 LEU  HN      3.00                
         HA     91 GLN  HN      3.90                
         HA     91 GLN  HB2     3.80                
         HA     91 GLN  HB3     3.80                
         HA     91 GLN  QB      3.60                
         HA     91 GLN  QG      5.88                
         QB     89 LEU  HN      4.50                
         QB     91 GLN  QB      6.88                
         QB     94 GLU- HN      6.00                
 89 LEU
         HN     89 LEU  HB2     3.70                
         HN     89 LEU  HB3     3.70                
         HN     89 LEU  QB      3.25                
         HN     89 LEU  HG      3.40                
         HN     89 LEU  QQD     6.87                
         HN     90 GLN  HN      3.00                
         HA     95 LEU  HN      3.80                
         HB2    90 GLN  HN      4.60                
         HB2    95 LEU  HN      3.90                
         HB3    90 GLN  HN      4.60                
         HB3    95 LEU  HN      3.90                
         QB     90 GLN  HN      4.04                
         QB     95 LEU  HA      5.28                
         QD1    94 GLU- HB2     7.04                
         QD1    94 GLU- HB3     7.04                
         QD1    94 GLU- HG2     8.44                
         QD1    94 GLU- HG3     8.44                
         QD2    94 GLU- HB2     7.04                
         QD2    94 GLU- HB3     7.04                
         QD2    94 GLU- HG2     8.44                
         QD2    94 GLU- HG3     8.44                
         QQD    94 GLU- QB      5.15                
         QQD    94 GLU- QG      6.57                
         QQD    95 LEU  HA      6.27                
         QQD    98 ARG+ QD      8.45                
 90 GLN
         HN     90 GLN  HB2     2.90                
         HN     90 GLN  HB3     2.90                
         HN     90 GLN  QB      2.66                
         HN     90 GLN  HG2     5.00                
         HN     90 GLN  HG3     5.00                
         HN     95 LEU  QQD     7.27                
         HA     90 GLN  HG2     3.30                
         HA     90 GLN  HG3     3.30                
         HA     95 LEU  HB2     3.10                
         HA     95 LEU  HB3     3.10                
         HA     95 LEU  QQD     6.97                
         QB     95 LEU  QQD     8.45                
         QG     95 LEU  QQD     8.45                
 91 GLN
         HN     91 GLN  HA      2.90                
         HN     91 GLN  HB2     3.00                
         HN     91 GLN  HB3     3.00                
         HN     91 GLN  HG2     3.80                
         HN     91 GLN  HG3     3.80                
         HN     91 GLN  QG      3.60                
         HN     92 SER  HN      3.00                
         HB2    92 SER  HN      4.70                
         HB3    92 SER  HN      4.70                
 92 SER
         HN     92 SER  HB2     3.20                
         HN     92 SER  HB3     3.20                
         HN     92 SER  QB      2.83                
         HN     93 GLY  HN      2.90                
 93 GLY
         HN     93 GLY  HA1     2.60                
         HN     94 GLU- HN      2.90                
         HA1    94 GLU- HN      3.60                
 94 GLU-
         HN     94 GLU- HA      2.80                
         HN     94 GLU- HB2     3.20                
         HN     94 GLU- HB3     3.20                
         HN     94 GLU- QG      5.78                
         HN     95 LEU  HN      3.00                
         HA     94 GLU- QG      3.95                
         HA     97 THR  HN      3.60                
         HB2    95 LEU  HN      5.00                
         HB3    95 LEU  HN      5.00                
         QB     94 GLU- QG      2.48                
 95 LEU
         HN     95 LEU  HB2     3.20                
         HN     95 LEU  HB3     3.20                
         HN     95 LEU  QB      2.93                
         HN     95 LEU  QQD     7.57                
         HN     96 LEU  HN      3.10                
         HA     95 LEU  QD1     5.30                
         HA     95 LEU  QD2     5.30                
         HA     95 LEU  QQD     4.17                
         HA     98 ARG+ HN      3.60                
         HB2    95 LEU  HG      3.00                
         HB2    96 LEU  HN      4.20                
         HB3    95 LEU  HG      3.00                
         HB3    96 LEU  HN      4.20                
         QB     96 LEU  HN      3.54                
         HG     96 LEU  HN      5.00                
         QQD    99 LEU  HN      7.37                
 96 LEU
         HN     96 LEU  QB      3.67                
         HN     96 LEU  HG      5.00                
         HN     96 LEU  QQD     7.17                
         HA     96 LEU  QD1     4.00                
         HA     96 LEU  QD2     4.00                
         HA     96 LEU  QQD     3.41                
         HA     99 LEU  HN      3.50                
         HA    105 LEU  QQD     6.07                
         HB2    97 THR  HN      3.70                
         HB3    97 THR  HN      3.70                
         QB     97 THR  HN      3.44                
 97 THR
         HN     97 THR  HB      3.00                
         HN     97 THR  QG2     4.30                
         HN     98 ARG+ HN      3.00                
         HA     97 THR  QG2     3.40                
         HA    100 LYS+ HN      4.10                
         HA    100 LYS+ HB2     3.90                
         HA    100 LYS+ HB3     3.90                
         HA    100 LYS+ QB      3.70                
         HA    100 LYS+ QD      6.00                
         HA    101 GLN  HN      4.90                
         HB     98 ARG+ HN      3.10                
         HB     98 ARG+ QB      4.98                
         QG2    98 ARG+ HN      4.70                
 98 ARG+
         HN     98 ARG+ HB2     3.40                
         HN     98 ARG+ HB3     3.40                
         HN     98 ARG+ QB      3.08                
         HN     98 ARG+ QG      4.60                
         HN     99 LEU  HN      3.00                
         HA     98 ARG+ QG      3.30                
         HA     98 ARG+ HD2     4.20                
         HA     98 ARG+ HD3     4.20                
         HA     98 ARG+ QD      4.01                
         HA    101 GLN  HN      4.50                
         HB2    99 LEU  HN      3.90                
         HB3    99 LEU  HN      3.90                
 99 LEU
         HN     99 LEU  HB2     3.60                
         HN     99 LEU  HB3     3.60                
         HN     99 LEU  QB      3.20                
         HN     99 LEU  HG      3.50                
         HN     99 LEU  QD1     5.50                
         HN     99 LEU  QD2     5.50                
         HN     99 LEU  QQD     4.50                
         HN    100 LYS+ HN      2.80                
         HA     99 LEU  QD1     6.00                
         HA     99 LEU  QD2     6.00                
         HA    102 ILE  HN      3.40                
         HA    102 ILE  HG12    5.00                
         HA    102 ILE  HG13    5.00                
         HA    104 ALA  QB      4.30                
         HB2   100 LYS+ HN      4.20                
         HB2   104 ALA  QB      4.40                
         HB3   100 LYS+ HN      4.20                
         HB3   104 ALA  QB      4.40                
         QB    100 LYS+ HN      3.86                
         QB    104 ALA  QB      3.83                
         QQD   100 LYS+ HN      7.57                
100 LYS+
         HN    100 LYS+ QB      3.46                
         HN    100 LYS+ HG2     5.00                
         HN    100 LYS+ HG3     5.00                
         HN    101 GLN  HN      2.80                
         HN    105 LEU  QD1     6.00                
         HN    105 LEU  QD2     6.00                
         HN    105 LEU  QQD     5.25                
         HA    103 GLY  HN      4.00                
         HA    105 LEU  HN      3.60                
         HA    105 LEU  QB      5.88                
         HA    105 LEU  QQD     5.87                
         HB2   101 GLN  HN      3.50                
         HB3   101 GLN  HN      3.50                
         QB    101 GLN  HN      3.29                
         QG    104 ALA  QB      4.98                
101 GLN
         HN    101 GLN  HA      2.90                
         HN    101 GLN  HB2     2.90                
         HN    101 GLN  HB3     2.90                
         HN    101 GLN  HG2     5.00                
         HN    101 GLN  HG3     5.00                
         HN    101 GLN  QG      4.68                
         HN    102 ILE  HN      3.20                
         HB2   102 ILE  HN      4.00                
         HB3   102 ILE  HN      4.00                
102 ILE
         HN    102 ILE  QG2     3.40                
         HN    102 ILE  HG12    3.00                
         HN    102 ILE  HG13    3.00                
         HN    102 ILE  QG1     2.72                
         HN    102 ILE  QD1     5.20                
         HN    103 GLY  HN      2.80                
         HA    102 ILE  HB      2.80                
         HA    102 ILE  QG2     3.40                
         HB    102 ILE  HG12    3.00                
         HB    102 ILE  HG13    3.00                
         HB    102 ILE  QD1     3.40                
         QG2   102 ILE  HG12    3.40                
         QG2   102 ILE  HG13    3.40                
         HG12  104 ALA  HN      5.00                
         HG13  104 ALA  HN      5.00                
         QG1   104 ALA  HN      4.31                
         QD1   104 ALA  HN      5.80                
103 GLY
         HN    103 GLY  HA1     2.50                
         HA1   104 ALA  HN      3.40                
         HA2   104 ALA  HN      3.60                
104 ALA
         HN    104 ALA  QB      3.40                
         HN    105 LEU  HN      2.80                
         QB    105 LEU  HN      3.60                
105 LEU
         HN    105 LEU  HB2     3.40                
         HN    105 LEU  HB3     3.40                
         HN    105 LEU  QB      3.18                
         HN    105 LEU  HG      3.80                
         HN    105 LEU  QD1     5.70                
         HN    105 LEU  QD2     5.70                
         HB2   106 GLN  HN      3.60                
         HB3   106 GLN  HN      3.60                
         QB    106 GLN  HN      3.34                
         QQD   106 GLN  HN      7.57                
106 GLN
         HN    106 GLN  HB2     3.30                
         HN    106 GLN  HB3     3.30                
         HN    106 GLN  HG2     4.60                
         HN    106 GLN  HG3     4.60                
         HN    106 GLN  QG      4.41                
         HA    106 GLN  HB2     3.00                
         HA    106 GLN  HB3     3.00                
         HA    106 GLN  HG2     3.20                
         HA    106 GLN  HG3     3.20                
         HA    106 GLN  QG      2.78                


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   2          2H        ALA   2  -2.611  16.336  -6.664
    2   2H    ALA   2          3H        ALA   2  -1.851  17.342  -7.726
    3   3H    ALA   2          1H        ALA   2  -3.309  16.656  -8.094
    4    HA   ALA   2           HA       ALA   2  -1.624  15.506  -9.297
    5   1HB   ALA   2          1HB       ALA   2  -0.416  15.022  -6.538
    6   2HB   ALA   2          2HB       ALA   2   0.113  14.235  -8.026
    7   3HB   ALA   2          3HB       ALA   2   0.289  15.990  -7.852
    8    H    GLN   3           H        GLN   3  -3.154  14.051  -9.976
    9    HA   GLN   3           HA       GLN   3  -4.356  12.213  -7.962
   10   1HB   GLN   3          1HB       GLN   3  -5.612  13.207 -10.551
   11   2HB   GLN   3          2HB       GLN   3  -6.277  12.052  -9.415
   12   1HG   GLN   3          1HG       GLN   3  -7.370  13.936  -8.721
   13   2HG   GLN   3          2HG       GLN   3  -5.999  13.968  -7.625
   14   1HE2  GLN   3          2HE2      GLN   3  -6.739  17.178  -9.908
   15   2HE2  GLN   3          1HE2      GLN   3  -7.808  15.786  -9.891
   16    H    GLU   4           H        GLU   4  -3.264  12.501 -11.383
   17    HA   GLU   4           HA       GLU   4  -3.506   9.883 -12.116
   18   1HB   GLU   4          1HB       GLU   4  -2.862  11.998 -13.452
   19   2HB   GLU   4          2HB       GLU   4  -1.192  11.616 -13.018
   20   1HG   GLU   4          1HG       GLU   4  -1.537  10.705 -15.166
   21   2HG   GLU   4          2HG       GLU   4  -1.641   9.297 -14.109
   22    H    PHE   5           H        PHE   5  -0.819  11.212 -10.149
   23    HA   PHE   5           HA       PHE   5   1.085   9.212 -10.732
   24   1HB   PHE   5          1HB       PHE   5   1.449  11.374  -9.454
   25   2HB   PHE   5          2HB       PHE   5   0.805  10.562  -8.036
   26    HD1  PHE   5          1HD       PHE   5   2.032   8.185  -7.454
   27    HD2  PHE   5          2HD       PHE   5   3.751  11.363  -9.820
   28    HE1  PHE   5          1HE       PHE   5   4.301   7.319  -6.992
   29    HE2  PHE   5          2HE       PHE   5   6.011  10.522  -9.298
   30    HZ   PHE   5           HZ       PHE   5   6.303   8.495  -7.883
   31    H    VAL   6           H        VAL   6  -1.073   9.341  -7.824
   32    HA   VAL   6           HA       VAL   6  -0.565   6.626  -7.092
   33    HB   VAL   6           HB       VAL   6  -2.687   8.683  -6.450
   34   1HG1  VAL   6          3HG1      VAL   6  -3.948   6.587  -6.370
   35   2HG1  VAL   6          1HG1      VAL   6  -2.716   5.886  -5.303
   36   3HG1  VAL   6          2HG1      VAL   6  -3.698   7.268  -4.770
   37   1HG2  VAL   6          3HG2      VAL   6  -0.374   8.788  -5.394
   38   2HG2  VAL   6          1HG2      VAL   6  -1.716   8.651  -4.245
   39   3HG2  VAL   6          2HG2      VAL   6  -0.729   7.244  -4.606
   40    H    ASN   7           H        ASN   7  -3.125   8.176  -9.079
   41    HA   ASN   7           HA       ASN   7  -4.856   6.014  -9.250
   42   1HB   ASN   7          1HB       ASN   7  -5.186   8.438 -10.020
   43   2HB   ASN   7          2HB       ASN   7  -4.365   7.981 -11.518
   44   1HD2  ASN   7          2HD2      ASN   7  -8.264   7.102 -10.956
   45   2HD2  ASN   7          1HD2      ASN   7  -7.326   8.022  -9.792
   46    H    CYS   8           H        CYS   8  -2.213   6.853 -11.533
   47    HA   CYS   8           HA       CYS   8  -2.633   4.445 -13.111
   48   1HB   CYS   8          1HB       CYS   8  -1.865   6.765 -13.940
   49   2HB   CYS   8          2HB       CYS   8  -0.284   6.376 -13.226
   50    HG   CYS   8           HG       CYS   8  -2.030   4.814 -15.564
   51    H    LYS   9           H        LYS   9  -0.536   5.362 -10.354
   52    HA   LYS   9           HA       LYS   9   1.399   3.268 -10.797
   53   1HB   LYS   9          1HB       LYS   9   0.589   4.898  -8.380
   54   2HB   LYS   9          2HB       LYS   9   1.643   3.516  -8.176
   55   1HG   LYS   9          1HG       LYS   9   2.307   5.784 -10.105
   56   2HG   LYS   9          2HG       LYS   9   2.788   5.747  -8.406
   57   1HD   LYS   9          1HD       LYS   9   3.838   3.428  -8.973
   58   2HD   LYS   9          2HD       LYS   9   3.673   3.920 -10.660
   59   1HE   LYS   9          1HE       LYS   9   5.235   5.346  -8.457
   60   2HE   LYS   9          2HE       LYS   9   5.912   4.399  -9.775
   61   1HZ   LYS   9          3HZ       LYS   9   4.442   6.947 -10.122
   62   2HZ   LYS   9          1HZ       LYS   9   6.072   6.734 -10.195
   63   3HZ   LYS   9          2HZ       LYS   9   5.124   6.031 -11.323
   64    H    ILE  10           H        ILE  10  -1.844   3.252  -9.079
   65    HA   ILE  10           HA       ILE  10  -1.319   0.502  -8.259
   66    HB   ILE  10           HB       ILE  10  -4.059   1.728  -8.527
   67   1HG1  ILE  10          1HG1      ILE  10  -2.866   1.996  -5.811
   68   2HG1  ILE  10          2HG1      ILE  10  -2.144   3.076  -6.974
   69   1HG2  ILE  10          3HG2      ILE  10  -2.831  -0.273  -6.571
   70   2HG2  ILE  10          1HG2      ILE  10  -4.494   0.341  -6.492
   71   3HG2  ILE  10          2HG2      ILE  10  -3.984  -0.644  -7.858
   72   1HD1  ILE  10          3HD1      ILE  10  -5.108   2.790  -6.531
   73   2HD1  ILE  10          1HD1      ILE  10  -4.084   4.114  -5.925
   74   3HD1  ILE  10          2HD1      ILE  10  -4.333   3.911  -7.676
   75    H    GLN  11           H        GLN  11  -2.423  -1.345  -9.163
   76    HA   GLN  11           HA       GLN  11  -4.165  -1.053 -11.423
   77   1HB   GLN  11          1HB       GLN  11  -2.962  -2.823 -12.741
   78   2HB   GLN  11          2HB       GLN  11  -2.114  -1.294 -12.678
   79   1HG   GLN  11          1HG       GLN  11  -0.515  -2.158 -11.060
   80   2HG   GLN  11          2HG       GLN  11  -1.483  -3.619 -10.850
   81   1HE2  GLN  11          2HE2      GLN  11   0.431  -3.284 -14.505
   82   2HE2  GLN  11          1HE2      GLN  11  -0.087  -1.816 -13.702
   83    HA   PRO  12           HA       PRO  12  -5.495  -4.862  -9.194
   84   1HB   PRO  12          1HB       PRO  12  -6.562  -6.421 -11.145
   85   2HB   PRO  12          2HB       PRO  12  -7.408  -4.990 -10.490
   86   1HG   PRO  12          1HG       PRO  12  -5.767  -5.175 -13.031
   87   2HG   PRO  12          2HG       PRO  12  -7.382  -4.432 -12.805
   88   1HD   PRO  12          1HD       PRO  12  -5.082  -2.965 -12.798
   89   2HD   PRO  12          2HD       PRO  12  -6.475  -2.533 -11.773
   90    H    GLY  13           H        GLY  13  -4.735  -7.206  -9.218
   91   1HA   GLY  13          1HA       GLY  13  -2.992  -8.683  -9.239
   92   2HA   GLY  13          2HA       GLY  13  -2.864  -8.245 -10.920
   93    H    LYS  14           H        LYS  14  -2.202  -5.965  -8.272
   94    HA   LYS  14           HA       LYS  14   0.583  -6.654  -8.019
   95   1HB   LYS  14          1HB       LYS  14   0.107  -4.648  -9.813
   96   2HB   LYS  14          2HB       LYS  14   0.191  -3.698  -8.333
   97   1HG   LYS  14          1HG       LYS  14   2.419  -4.769  -7.927
   98   2HG   LYS  14          2HG       LYS  14   2.300  -5.643  -9.453
   99   1HD   LYS  14          1HD       LYS  14   1.944  -2.652  -9.532
  100   2HD   LYS  14          2HD       LYS  14   3.537  -3.209  -9.063
  101   1HE   LYS  14          1HE       LYS  14   2.135  -4.108 -11.614
  102   2HE   LYS  14          2HE       LYS  14   3.239  -2.730 -11.507
  103   1HZ   LYS  14          2HZ       LYS  14   4.944  -4.308 -10.653
  104   2HZ   LYS  14          3HZ       LYS  14   3.949  -5.565 -11.005
  105   3HZ   LYS  14          1HZ       LYS  14   4.524  -4.604 -12.185
  106    H    VAL  15           H        VAL  15   1.427  -5.874  -5.906
  107    HA   VAL  15           HA       VAL  15  -0.668  -4.909  -4.059
  108    HB   VAL  15           HB       VAL  15   1.941  -6.393  -3.507
  109   1HG1  VAL  15          2HG1      VAL  15  -0.332  -5.355  -1.827
  110   2HG1  VAL  15          3HG1      VAL  15   0.751  -6.632  -1.211
  111   3HG1  VAL  15          1HG1      VAL  15   1.375  -5.028  -1.612
  112   1HG2  VAL  15          1HG2      VAL  15  -0.905  -7.443  -3.542
  113   2HG2  VAL  15          2HG2      VAL  15   0.469  -7.960  -4.555
  114   3HG2  VAL  15          3HG2      VAL  15   0.499  -8.284  -2.837
  115    H    VAL  16           H        VAL  16  -0.410  -2.730  -4.863
  116    HA   VAL  16           HA       VAL  16   2.263  -1.498  -4.648
  117    HB   VAL  16           HB       VAL  16  -0.415  -0.799  -5.864
  118   1HG1  VAL  16          2HG1      VAL  16   1.819   1.182  -5.337
  119   2HG1  VAL  16          3HG1      VAL  16   0.536   1.417  -6.548
  120   3HG1  VAL  16          1HG1      VAL  16   0.127   1.308  -4.828
  121   1HG2  VAL  16          2HG2      VAL  16   1.377  -2.189  -7.007
  122   2HG2  VAL  16          3HG2      VAL  16   0.962  -0.699  -7.876
  123   3HG2  VAL  16          1HG2      VAL  16   2.451  -0.798  -6.907
  124    H    VAL  17           H        VAL  17   2.819  -0.133  -2.976
  125    HA   VAL  17           HA       VAL  17   0.758   0.528  -0.933
  126    HB   VAL  17           HB       VAL  17   3.610  -0.430  -0.451
  127   1HG1  VAL  17          1HG1      VAL  17   1.287   0.179   1.426
  128   2HG1  VAL  17          2HG1      VAL  17   2.810  -0.607   1.925
  129   3HG1  VAL  17          3HG1      VAL  17   2.816   1.047   1.311
  130   1HG2  VAL  17          3HG2      VAL  17   1.034  -2.011  -0.207
  131   2HG2  VAL  17          1HG2      VAL  17   2.398  -2.324  -1.301
  132   3HG2  VAL  17          2HG2      VAL  17   2.640  -2.498   0.423
  133    H    PHE  18           H        PHE  18   0.709   2.738  -0.726
  134    HA   PHE  18           HA       PHE  18   3.001   4.256  -1.808
  135   1HB   PHE  18          1HB       PHE  18   0.351   5.214  -0.656
  136   2HB   PHE  18          2HB       PHE  18   1.585   6.266  -1.335
  137    HD1  PHE  18          1HD       PHE  18   2.316   6.056  -3.717
  138    HD2  PHE  18          2HD       PHE  18  -1.123   3.982  -2.133
  139    HE1  PHE  18          1HE       PHE  18   1.504   5.639  -6.021
  140    HE2  PHE  18          2HE       PHE  18  -1.931   3.580  -4.440
  141    HZ   PHE  18           HZ       PHE  18  -0.627   4.423  -6.383
  142    H    ILE  19           H        ILE  19   4.574   5.103  -0.481
  143    HA   ILE  19           HA       ILE  19   4.258   5.135   2.463
  144    HB   ILE  19           HB       ILE  19   6.478   4.117   2.665
  145   1HG1  ILE  19          1HG1      ILE  19   6.850   3.003  -0.015
  146   2HG1  ILE  19          2HG1      ILE  19   6.896   4.736  -0.060
  147   1HG2  ILE  19          2HG2      ILE  19   4.584   2.604   2.747
  148   2HG2  ILE  19          3HG2      ILE  19   4.744   2.304   0.993
  149   3HG2  ILE  19          1HG2      ILE  19   6.050   1.841   2.100
  150   1HD1  ILE  19          3HD1      ILE  19   8.592   3.055   1.807
  151   2HD1  ILE  19          1HD1      ILE  19   9.122   3.866   0.311
  152   3HD1  ILE  19          2HD1      ILE  19   8.604   4.830   1.703
  153    H    LYS  20           H        LYS  20   6.251   6.180   3.466
  154    HA   LYS  20           HA       LYS  20   7.905   7.827   1.729
  155   1HB   LYS  20          1HB       LYS  20   7.728   9.670   3.629
  156   2HB   LYS  20          2HB       LYS  20   6.631   9.677   2.254
  157   1HG   LYS  20          1HG       LYS  20   4.896   8.546   3.639
  158   2HG   LYS  20          2HG       LYS  20   6.005   8.570   5.013
  159   1HD   LYS  20          1HD       LYS  20   5.157  11.112   3.575
  160   2HD   LYS  20          2HD       LYS  20   4.114  10.379   4.794
  161   1HE   LYS  20          1HE       LYS  20   6.971  11.213   5.297
  162   2HE   LYS  20          2HE       LYS  20   5.579  12.244   5.592
  163   1HZ   LYS  20          3HZ       LYS  20   5.915   9.607   6.911
  164   2HZ   LYS  20          1HZ       LYS  20   6.315  11.092   7.577
  165   3HZ   LYS  20          2HZ       LYS  20   4.767  10.679   7.189
  166    HA   PRO  21           HA       PRO  21  10.531   5.736   4.594
  167   1HB   PRO  21          1HB       PRO  21  12.938   7.004   4.368
  168   2HB   PRO  21          2HB       PRO  21  12.227   6.063   3.022
  169   1HG   PRO  21          1HG       PRO  21  12.065   9.066   3.487
  170   2HG   PRO  21          2HG       PRO  21  12.563   8.207   1.997
  171   1HD   PRO  21          1HD       PRO  21  10.002   9.115   2.378
  172   2HD   PRO  21          2HD       PRO  21  10.326   7.583   1.515
  173    H    THR  22           H        THR  22   9.659   9.113   5.014
  174    HA   THR  22           HA       THR  22  10.892   9.414   7.630
  175    HB   THR  22           HB       THR  22   9.655  11.657   7.363
  176    HG1  THR  22           HG1      THR  22   9.164  12.141   5.207
  177   1HG2  THR  22          3HG2      THR  22  11.807  10.853   5.344
  178   2HG2  THR  22          1HG2      THR  22  11.407  12.507   5.851
  179   3HG2  THR  22          2HG2      THR  22  12.082  11.372   7.020
  180    H    CYS  23           H        CSN  23   8.072   7.874   6.519
  181    HA   CYS  23           HA       CSN  23   6.562   8.259   9.023
  182   1HB   CYS  23          2HB       CSN  23   6.281   6.708   6.466
  183   2HB   CYS  23          3HB       CSN  23   5.505   6.083   7.908
  184    HA   PRO  24           HA       PRO  24   9.182   4.802  10.643
  185   1HB   PRO  24          1HB       PRO  24   8.057   4.596  13.111
  186   2HB   PRO  24          2HB       PRO  24   9.197   5.911  12.692
  187   1HG   PRO  24          1HG       PRO  24   6.168   6.011  12.757
  188   2HG   PRO  24          2HG       PRO  24   7.333   7.194  13.417
  189   1HD   PRO  24          1HD       PRO  24   6.092   7.453  10.969
  190   2HD   PRO  24          2HD       PRO  24   7.697   8.145  11.307
  191    H    TYR  25           H        TYR  25   5.705   5.250  10.393
  192    HA   TYR  25           HA       TYR  25   4.881   2.568  10.941
  193   1HB   TYR  25          1HB       TYR  25   3.638   4.829   9.299
  194   2HB   TYR  25          2HB       TYR  25   2.820   3.352   9.754
  195    HD1  TYR  25          1HD       TYR  25   2.692   2.781  12.320
  196    HD2  TYR  25          2HD       TYR  25   3.398   6.732  10.696
  197    HE1  TYR  25          1HE       TYR  25   1.830   3.794  14.403
  198    HE2  TYR  25          2HE       TYR  25   2.471   7.728  12.750
  199    HH   TYR  25           HH       TYR  25   1.666   7.329  14.928
  200    H    CYS  26           H        CYS  26   6.118   4.201   7.995
  201    HA   CYS  26           HA       CYS  26   5.085   2.198   6.178
  202   1HB   CYS  26          1HB       CYS  26   7.276   4.320   5.923
  203   2HB   CYS  26          2HB       CYS  26   6.835   3.181   4.651
  204    HG   CYS  26           HG       CYS  26   5.016   5.588   6.091
  205    H    ARG  27           H        ARG  27   8.019   2.486   8.209
  206    HA   ARG  27           HA       ARG  27   9.395   0.282   7.001
  207   1HB   ARG  27          1HB       ARG  27  10.287   2.093   8.642
  208   2HB   ARG  27          2HB       ARG  27   9.623   1.065   9.921
  209   1HG   ARG  27          1HG       ARG  27  10.987  -0.860   8.917
  210   2HG   ARG  27          2HG       ARG  27  11.708   0.337   7.829
  211   1HD   ARG  27          1HD       ARG  27  11.988   1.523  10.322
  212   2HD   ARG  27          2HD       ARG  27  12.172  -0.182  10.730
  213    HE   ARG  27           HE       ARG  27  13.927   1.559   9.187
  214   1HH1  ARG  27          2HH2      ARG  27  13.166  -1.925   9.649
  215   2HH1  ARG  27          1HH2      ARG  27  14.771  -2.395   9.149
  216   1HH2  ARG  27          2HH1      ARG  27  16.002   0.826   8.693
  217   2HH2  ARG  27          1HH1      ARG  27  16.329  -0.893   8.543
  218    H    ARG  28           H        ARG  28   7.005   0.467   9.657
  219    HA   ARG  28           HA       ARG  28   7.040  -2.285  10.424
  220   1HB   ARG  28          1HB       ARG  28   5.788  -0.589  11.668
  221   2HB   ARG  28          2HB       ARG  28   4.705  -0.312  10.347
  222   1HG   ARG  28          1HG       ARG  28   3.316  -1.972  10.941
  223   2HG   ARG  28          2HG       ARG  28   4.599  -3.147  10.849
  224   1HD   ARG  28          1HD       ARG  28   3.491  -3.106  13.061
  225   2HD   ARG  28          2HD       ARG  28   5.237  -2.873  13.091
  226    HE   ARG  28           HE       ARG  28   3.230  -0.659  13.434
  227   1HH1  ARG  28          2HH2      ARG  28   6.022  -2.347  14.771
  228   2HH1  ARG  28          1HH2      ARG  28   6.641  -0.979  15.620
  229   1HH2  ARG  28          2HH1      ARG  28   3.915   1.079  14.621
  230   2HH2  ARG  28          1HH1      ARG  28   5.431   1.129  15.463
  231    H    ALA  29           H        ALA  29   4.878  -0.588   8.201
  232    HA   ALA  29           HA       ALA  29   3.567  -2.856   7.187
  233   1HB   ALA  29          1HB       ALA  29   4.180  -0.247   5.761
  234   2HB   ALA  29          2HB       ALA  29   3.129  -1.509   5.097
  235   3HB   ALA  29          3HB       ALA  29   2.686  -0.729   6.625
  236    H    GLN  30           H        GLN  30   6.721  -1.506   6.023
  237    HA   GLN  30           HA       GLN  30   7.009  -3.233   3.910
  238   1HB   GLN  30          1HB       GLN  30   8.623  -1.317   5.378
  239   2HB   GLN  30          2HB       GLN  30   9.616  -2.742   5.154
  240   1HG   GLN  30          1HG       GLN  30   9.804  -2.413   2.906
  241   2HG   GLN  30          2HG       GLN  30   8.086  -2.041   2.756
  242   1HE2  GLN  30          2HE2      GLN  30  10.629   1.117   3.651
  243   2HE2  GLN  30          1HE2      GLN  30  11.073  -0.494   4.183
  244    H    GLU  31           H        GLU  31   7.878  -3.905   7.317
  245    HA   GLU  31           HA       GLU  31   8.995  -6.511   6.472
  246   1HB   GLU  31          1HB       GLU  31   9.069  -7.069   8.892
  247   2HB   GLU  31          2HB       GLU  31  10.022  -5.676   8.408
  248   1HG   GLU  31          1HG       GLU  31   8.327  -4.148   9.334
  249   2HG   GLU  31          2HG       GLU  31   7.323  -5.528   9.816
  250    H    ILE  32           H        ILE  32   6.080  -5.336   8.111
  251    HA   ILE  32           HA       ILE  32   4.732  -7.705   8.515
  252    HB   ILE  32           HB       ILE  32   3.933  -4.888   7.877
  253   1HG1  ILE  32          1HG1      ILE  32   3.531  -6.790  10.234
  254   2HG1  ILE  32          2HG1      ILE  32   4.623  -5.415  10.139
  255   1HG2  ILE  32          3HG2      ILE  32   1.870  -7.081   8.008
  256   2HG2  ILE  32          1HG2      ILE  32   1.542  -5.329   8.118
  257   3HG2  ILE  32          2HG2      ILE  32   2.207  -5.980   6.650
  258   1HD1  ILE  32          2HD1      ILE  32   2.511  -3.946   9.900
  259   2HD1  ILE  32          3HD1      ILE  32   1.590  -5.393  10.367
  260   3HD1  ILE  32          1HD1      ILE  32   2.781  -4.721  11.481
  261    H    LEU  33           H        LEU  33   4.772  -5.794   5.497
  262    HA   LEU  33           HA       LEU  33   3.076  -7.787   4.281
  263   1HB   LEU  33          1HB       LEU  33   4.230  -5.189   3.306
  264   2HB   LEU  33          2HB       LEU  33   3.897  -6.390   2.087
  265    HG   LEU  33           HG       LEU  33   1.802  -5.305   4.029
  266   1HD1  LEU  33          2HD1      LEU  33   2.521  -3.659   2.406
  267   2HD1  LEU  33          3HD1      LEU  33   2.203  -4.799   1.074
  268   3HD1  LEU  33          1HD1      LEU  33   0.873  -4.216   2.081
  269   1HD2  LEU  33          2HD2      LEU  33   1.562  -7.236   1.658
  270   2HD2  LEU  33          3HD2      LEU  33   1.204  -7.614   3.347
  271   3HD2  LEU  33          1HD2      LEU  33   0.189  -6.464   2.482
  272    H    SER  34           H        SER  34   6.596  -6.753   3.976
  273    HA   SER  34           HA       SER  34   7.058  -8.697   1.892
  274   1HB   SER  34          1HB       SER  34   8.359  -6.550   2.350
  275   2HB   SER  34          2HB       SER  34   9.200  -7.447   3.624
  276    HG   SER  34           HG       SER  34   9.764  -8.992   2.001
  277    H    GLN  35           H        GLN  35   6.666  -9.257   5.254
  278    HA   GLN  35           HA       GLN  35   8.390 -11.547   5.497
  279   1HB   GLN  35          1HB       GLN  35   6.005 -10.433   7.010
  280   2HB   GLN  35          2HB       GLN  35   6.618 -12.039   7.390
  281   1HG   GLN  35          1HG       GLN  35   8.781 -11.225   7.972
  282   2HG   GLN  35          2HG       GLN  35   8.446  -9.609   7.386
  283   1HE2  GLN  35          2HE2      GLN  35   7.522 -10.575  11.209
  284   2HE2  GLN  35          1HE2      GLN  35   8.574 -11.525  10.164
  285    H    LEU  36           H        LEU  36   5.335 -11.031   3.814
  286    HA   LEU  36           HA       LEU  36   4.484 -13.811   4.154
  287   1HB   LEU  36          1HB       LEU  36   3.233 -11.416   2.765
  288   2HB   LEU  36          2HB       LEU  36   2.448 -12.971   3.003
  289    HG   LEU  36           HG       LEU  36   3.334 -11.068   5.222
  290   1HD1  LEU  36          3HD1      LEU  36   1.437 -10.205   3.940
  291   2HD1  LEU  36          1HD1      LEU  36   0.548 -11.726   4.200
  292   3HD1  LEU  36          2HD1      LEU  36   0.952 -10.670   5.575
  293   1HD2  LEU  36          2HD2      LEU  36   1.797 -13.691   5.404
  294   2HD2  LEU  36          3HD2      LEU  36   3.413 -13.360   6.061
  295   3HD2  LEU  36          1HD2      LEU  36   2.009 -12.534   6.734
  296    HA   PRO  37           HA       PRO  37   6.227 -14.943   0.203
  297   1HB   PRO  37          1HB       PRO  37   4.850 -17.247  -0.365
  298   2HB   PRO  37          2HB       PRO  37   6.055 -17.135   0.951
  299   1HG   PRO  37          1HG       PRO  37   3.043 -16.913   1.174
  300   2HG   PRO  37          2HG       PRO  37   4.165 -17.890   2.173
  301   1HD   PRO  37          1HD       PRO  37   3.268 -15.440   2.975
  302   2HD   PRO  37          2HD       PRO  37   4.930 -15.995   3.342
  303    H    ILE  38           H        ILE  38   5.733 -13.518  -1.496
  304    HA   ILE  38           HA       ILE  38   2.949 -13.501  -2.591
  305    HB   ILE  38           HB       ILE  38   4.805 -11.331  -1.518
  306   1HG1  ILE  38          1HG1      ILE  38   1.774 -11.656  -1.424
  307   2HG1  ILE  38          2HG1      ILE  38   2.815 -12.497  -0.292
  308   1HG2  ILE  38          2HG2      ILE  38   2.599 -10.806  -3.591
  309   2HG2  ILE  38          3HG2      ILE  38   3.377  -9.563  -2.601
  310   3HG2  ILE  38          1HG2      ILE  38   4.329 -10.450  -3.768
  311   1HD1  ILE  38          1HD1      ILE  38   3.845 -10.337   0.404
  312   2HD1  ILE  38          2HD1      ILE  38   2.527  -9.530  -0.492
  313   3HD1  ILE  38          3HD1      ILE  38   2.152 -10.597   0.871
  314    H    LYS  39           H        LYS  39   2.889 -13.267  -4.942
  315    HA   LYS  39           HA       LYS  39   4.918 -14.117  -6.382
  316   1HB   LYS  39          1HB       LYS  39   2.491 -12.589  -6.959
  317   2HB   LYS  39          2HB       LYS  39   3.737 -12.434  -8.185
  318   1HG   LYS  39          1HG       LYS  39   2.987 -15.162  -7.116
  319   2HG   LYS  39          2HG       LYS  39   2.034 -14.375  -8.354
  320   1HD   LYS  39          1HD       LYS  39   5.014 -14.955  -8.455
  321   2HD   LYS  39          2HD       LYS  39   3.795 -15.971  -9.200
  322   1HE   LYS  39          1HE       LYS  39   3.561 -14.615 -11.018
  323   2HE   LYS  39          2HE       LYS  39   3.599 -13.143 -10.061
  324   1HZ   LYS  39          1HZ       LYS  39   6.003 -14.696 -10.842
  325   2HZ   LYS  39          2HZ       LYS  39   5.494 -13.297 -11.514
  326   3HZ   LYS  39          3HZ       LYS  39   6.003 -13.300  -9.971
  327    H    GLN  40           H        GLN  40   6.866 -13.404  -7.081
  328    HA   GLN  40           HA       GLN  40   8.012 -11.074  -6.094
  329   1HB   GLN  40          1HB       GLN  40   9.214 -13.112  -6.867
  330   2HB   GLN  40          2HB       GLN  40   8.826 -12.708  -8.549
  331   1HG   GLN  40          1HG       GLN  40  10.100 -10.622  -8.381
  332   2HG   GLN  40          2HG       GLN  40  10.377 -10.892  -6.650
  333   1HE2  GLN  40          2HE2      GLN  40  13.105 -13.083  -7.223
  334   2HE2  GLN  40          1HE2      GLN  40  12.116 -12.244  -6.028
  335    H    GLY  41           H        GLY  41   8.005  -8.996  -6.705
  336   1HA   GLY  41          1HA       GLY  41   8.195  -7.244  -8.232
  337   2HA   GLY  41          2HA       GLY  41   7.365  -8.198  -9.472
  338    H    LEU  42           H        LEU  42   5.303  -9.053  -7.134
  339    HA   LEU  42           HA       LEU  42   3.470  -6.986  -7.895
  340   1HB   LEU  42          1HB       LEU  42   3.197  -9.113  -5.742
  341   2HB   LEU  42          2HB       LEU  42   1.957  -8.044  -6.343
  342    HG   LEU  42           HG       LEU  42   3.163 -10.427  -7.661
  343   1HD1  LEU  42          1HD1      LEU  42   1.074 -10.433  -6.210
  344   2HD1  LEU  42          2HD1      LEU  42   0.298  -9.437  -7.468
  345   3HD1  LEU  42          3HD1      LEU  42   0.847 -11.076  -7.856
  346   1HD2  LEU  42          2HD2      LEU  42   1.740  -8.237  -9.165
  347   2HD2  LEU  42          3HD2      LEU  42   3.344  -8.932  -9.484
  348   3HD2  LEU  42          1HD2      LEU  42   1.895  -9.907  -9.745
  349    H    LEU  43           H        LEU  43   5.589  -7.515  -5.016
  350    HA   LEU  43           HA       LEU  43   3.924  -5.596  -3.504
  351   1HB   LEU  43          1HB       LEU  43   5.403  -7.693  -2.577
  352   2HB   LEU  43          2HB       LEU  43   6.570  -6.400  -2.428
  353    HG   LEU  43           HG       LEU  43   5.597  -6.323  -0.359
  354   1HD1  LEU  43          3HD1      LEU  43   5.248  -4.040  -1.350
  355   2HD1  LEU  43          1HD1      LEU  43   3.567  -4.485  -1.691
  356   3HD1  LEU  43          2HD1      LEU  43   4.162  -4.444  -0.029
  357   1HD2  LEU  43          1HD2      LEU  43   3.048  -7.202  -1.697
  358   2HD2  LEU  43          2HD2      LEU  43   4.056  -8.014  -0.492
  359   3HD2  LEU  43          3HD2      LEU  43   3.066  -6.632  -0.017
  360    H    GLU  44           H        GLU  44   4.148  -3.492  -4.203
  361    HA   GLU  44           HA       GLU  44   6.923  -2.532  -4.732
  362   1HB   GLU  44          1HB       GLU  44   5.595  -2.953  -6.794
  363   2HB   GLU  44          2HB       GLU  44   4.422  -1.736  -6.239
  364   1HG   GLU  44          1HG       GLU  44   6.260  -0.073  -6.076
  365   2HG   GLU  44          2HG       GLU  44   7.429  -1.297  -6.544
  366    H    PHE  45           H        PHE  45   7.439  -1.305  -3.050
  367    HA   PHE  45           HA       PHE  45   5.409   0.332  -1.703
  368   1HB   PHE  45          1HB       PHE  45   8.380   0.070  -1.161
  369   2HB   PHE  45          2HB       PHE  45   7.194   0.863  -0.152
  370    HD1  PHE  45          1HD       PHE  45   5.360  -0.475   0.974
  371    HD2  PHE  45          2HD       PHE  45   8.722  -2.342  -0.967
  372    HE1  PHE  45          1HE       PHE  45   4.886  -2.579   2.184
  373    HE2  PHE  45          2HE       PHE  45   8.254  -4.445   0.267
  374    HZ   PHE  45           HZ       PHE  45   6.335  -4.580   1.831
  375    H    VAL  46           H        VAL  46   4.834   2.050  -2.874
  376    HA   VAL  46           HA       VAL  46   6.650   3.408  -4.775
  377    HB   VAL  46           HB       VAL  46   3.648   3.685  -4.221
  378   1HG1  VAL  46          1HG1      VAL  46   5.430   4.848  -6.408
  379   2HG1  VAL  46          2HG1      VAL  46   3.649   4.889  -6.422
  380   3HG1  VAL  46          3HG1      VAL  46   4.537   5.750  -5.161
  381   1HG2  VAL  46          2HG2      VAL  46   5.106   2.240  -6.468
  382   2HG2  VAL  46          3HG2      VAL  46   4.117   1.498  -5.192
  383   3HG2  VAL  46          1HG2      VAL  46   3.351   2.541  -6.392
  384    H    ASP  47           H        ASP  47   7.321   5.551  -4.335
  385    HA   ASP  47           HA       ASP  47   7.020   6.301  -1.510
  386   1HB   ASP  47          1HB       ASP  47   9.167   6.053  -2.894
  387   2HB   ASP  47          2HB       ASP  47   8.762   7.641  -3.561
  388    H    ILE  48           H        ILE  48   6.275   8.329  -0.830
  389    HA   ILE  48           HA       ILE  48   4.794  10.002  -2.806
  390    HB   ILE  48           HB       ILE  48   3.317  10.670  -1.128
  391   1HG1  ILE  48          1HG1      ILE  48   4.472   8.881   1.024
  392   2HG1  ILE  48          2HG1      ILE  48   5.032  10.541   0.832
  393   1HG2  ILE  48          2HG2      ILE  48   2.849   8.523  -2.275
  394   2HG2  ILE  48          3HG2      ILE  48   3.596   7.641  -0.931
  395   3HG2  ILE  48          1HG2      ILE  48   2.116   8.591  -0.672
  396   1HD1  ILE  48          3HD1      ILE  48   2.732  11.339   1.038
  397   2HD1  ILE  48          1HD1      ILE  48   2.165   9.679   1.339
  398   3HD1  ILE  48          2HD1      ILE  48   3.269  10.472   2.472
  399    H    THR  49           H        THR  49   7.793  10.149  -1.469
  400    HA   THR  49           HA       THR  49   7.610  13.109  -1.633
  401    HB   THR  49           HB       THR  49   7.633  12.612   0.706
  402    HG1  THR  49           HG1      THR  49   8.975  14.128   1.054
  403   1HG2  THR  49          2HG2      THR  49  10.169  10.997   0.242
  404   2HG2  THR  49          3HG2      THR  49   9.564  11.524   1.830
  405   3HG2  THR  49          1HG2      THR  49   8.613  10.404   0.846
  406    H    ALA  50           H        ALA  50   9.367  10.146  -2.409
  407    HA   ALA  50           HA       ALA  50  11.800  11.191  -3.147
  408   1HB   ALA  50          3HB       ALA  50  11.269   8.784  -3.145
  409   2HB   ALA  50          1HB       ALA  50  10.291   8.996  -4.621
  410   3HB   ALA  50          2HB       ALA  50  12.039   9.277  -4.660
  411    H    THR  51           H        THR  51   8.844  11.368  -5.151
  412    HA   THR  51           HA       THR  51  10.308  12.906  -7.233
  413    HB   THR  51           HB       THR  51   8.929  11.023  -8.732
  414    HG1  THR  51           HG1      THR  51   8.660   9.795  -6.655
  415   1HG2  THR  51          2HG2      THR  51  11.247  11.854  -9.047
  416   2HG2  THR  51          3HG2      THR  51  11.790  10.798  -7.727
  417   3HG2  THR  51          1HG2      THR  51  11.116  10.102  -9.211
  418    H    ASN  52           H        ASN  52   8.079  13.671  -5.346
  419    HA   ASN  52           HA       ASN  52   6.041  14.516  -7.272
  420   1HB   ASN  52          1HB       ASN  52   4.270  13.173  -6.350
  421   2HB   ASN  52          2HB       ASN  52   5.551  12.092  -6.830
  422   1HD2  ASN  52          2HD2      ASN  52   4.564  12.254  -2.898
  423   2HD2  ASN  52          1HD2      ASN  52   3.457  12.773  -4.145
  424    H    HIS  53           H        HIS  53   4.146  14.516  -4.859
  425    HA   HIS  53           HA       HIS  53   5.107  16.665  -3.165
  426   1HB   HIS  53          1HB       HIS  53   2.658  16.714  -4.998
  427   2HB   HIS  53          2HB       HIS  53   2.807  17.728  -3.556
  428    HD1  HIS  53          1HD       HIS  53   2.537  18.647  -6.669
  429    HD2  HIS  53          2HD       HIS  53   5.943  18.631  -4.169
  430    HE1  HIS  53          1HE       HIS  53   4.226  20.277  -7.720
  431    H    THR  54           H        THR  54   5.009  15.024  -1.524
  432    HA   THR  54           HA       THR  54   2.971  13.236  -0.932
  433    HB   THR  54           HB       THR  54   4.178  12.951   0.855
  434    HG1  THR  54           HG1      THR  54   2.907  13.697   2.371
  435   1HG2  THR  54          3HG2      THR  54   5.286  15.730   0.722
  436   2HG2  THR  54          1HG2      THR  54   5.807  14.421   1.824
  437   3HG2  THR  54          2HG2      THR  54   6.020  14.231   0.075
  438    H    ASN  55           H        ASN  55   3.007  16.494   0.243
  439    HA   ASN  55           HA       ASN  55   0.668  16.957   1.322
  440   1HB   ASN  55          1HB       ASN  55   2.684  18.556   0.361
  441   2HB   ASN  55          2HB       ASN  55   1.388  19.077  -0.694
  442   1HD2  ASN  55          2HD2      ASN  55   1.593  21.366   2.214
  443   2HD2  ASN  55          1HD2      ASN  55   2.440  20.946   0.741
  444    H    GLU  56           H        GLU  56   0.955  16.668  -2.222
  445    HA   GLU  56           HA       GLU  56  -1.855  17.477  -2.701
  446   1HB   GLU  56          1HB       GLU  56   0.597  16.677  -4.343
  447   2HB   GLU  56          2HB       GLU  56  -1.016  16.483  -5.015
  448   1HG   GLU  56          1HG       GLU  56  -1.500  18.871  -4.417
  449   2HG   GLU  56          2HG       GLU  56   0.240  19.067  -4.158
  450    H    ILE  57           H        ILE  57   0.271  14.633  -3.287
  451    HA   ILE  57           HA       ILE  57  -1.740  12.860  -4.139
  452    HB   ILE  57           HB       ILE  57   1.098  12.734  -3.241
  453   1HG1  ILE  57          1HG1      ILE  57  -0.072  11.150  -5.512
  454   2HG1  ILE  57          2HG1      ILE  57  -0.132  12.910  -5.649
  455   1HG2  ILE  57          3HG2      ILE  57  -0.558  10.211  -3.237
  456   2HG2  ILE  57          1HG2      ILE  57   1.206  10.237  -3.405
  457   3HG2  ILE  57          2HG2      ILE  57   0.449  10.854  -1.929
  458   1HD1  ILE  57          1HD1      ILE  57   2.385  11.282  -5.196
  459   2HD1  ILE  57          2HD1      ILE  57   1.886  12.054  -6.713
  460   3HD1  ILE  57          3HD1      ILE  57   2.262  13.069  -5.322
  461    H    GLN  58           H        GLN  58  -0.708  13.697  -0.866
  462    HA   GLN  58           HA       GLN  58  -1.843  11.353   0.405
  463   1HB   GLN  58          1HB       GLN  58  -0.711  14.087   1.275
  464   2HB   GLN  58          2HB       GLN  58  -1.644  13.125   2.401
  465   1HG   GLN  58          1HG       GLN  58  -0.050  11.110   1.615
  466   2HG   GLN  58          2HG       GLN  58   0.959  12.466   1.149
  467   1HE2  GLN  58          2HE2      GLN  58   0.393  11.647   5.165
  468   2HE2  GLN  58          1HE2      GLN  58  -0.815  11.152   3.988
  469    H    ASP  59           H        ASP  59  -2.878  14.674  -0.347
  470    HA   ASP  59           HA       ASP  59  -5.403  14.679   1.002
  471   1HB   ASP  59          1HB       ASP  59  -3.804  16.544  -0.127
  472   2HB   ASP  59          2HB       ASP  59  -4.815  16.272  -1.499
  473    H    TYR  60           H        TYR  60  -4.330  14.144  -2.314
  474    HA   TYR  60           HA       TYR  60  -6.868  13.385  -3.440
  475   1HB   TYR  60          1HB       TYR  60  -5.012  13.782  -4.933
  476   2HB   TYR  60          2HB       TYR  60  -4.083  12.469  -4.218
  477    HD1  TYR  60          2HD       TYR  60  -7.573  12.888  -5.650
  478    HD2  TYR  60          1HD       TYR  60  -3.970  10.520  -5.499
  479    HE1  TYR  60          2HE       TYR  60  -8.591  11.266  -7.205
  480    HE2  TYR  60          1HE       TYR  60  -4.975   8.911  -7.109
  481    HH   TYR  60           HH       TYR  60  -8.367   9.141  -8.165
  482    H    LEU  61           H        LEU  61  -4.368  11.284  -1.919
  483    HA   LEU  61           HA       LEU  61  -5.818   8.856  -2.031
  484   1HB   LEU  61          1HB       LEU  61  -3.706   9.902  -0.126
  485   2HB   LEU  61          2HB       LEU  61  -4.451   8.346   0.144
  486    HG   LEU  61           HG       LEU  61  -3.116   9.036  -2.505
  487   1HD1  LEU  61          1HD1      LEU  61  -1.792   7.779  -0.060
  488   2HD1  LEU  61          2HD1      LEU  61  -1.092   7.895  -1.689
  489   3HD1  LEU  61          3HD1      LEU  61  -1.428   9.362  -0.770
  490   1HD2  LEU  61          2HD2      LEU  61  -3.748   6.403  -1.094
  491   2HD2  LEU  61          3HD2      LEU  61  -4.590   7.062  -2.503
  492   3HD2  LEU  61          1HD2      LEU  61  -2.894   6.563  -2.638
  493    H    GLN  62           H        GLN  62  -6.006  11.551   0.317
  494    HA   GLN  62           HA       GLN  62  -7.748  10.380   2.163
  495   1HB   GLN  62          1HB       GLN  62  -6.701  12.908   1.927
  496   2HB   GLN  62          2HB       GLN  62  -8.342  13.212   1.402
  497   1HG   GLN  62          1HG       GLN  62  -8.993  11.782   3.548
  498   2HG   GLN  62          2HG       GLN  62  -7.385  12.235   4.088
  499   1HE2  GLN  62          2HE2      GLN  62 -10.475  14.889   4.171
  500   2HE2  GLN  62          1HE2      GLN  62 -10.620  13.189   3.744
  501    H    GLN  63           H        GLN  63  -8.551  12.119  -0.855
  502    HA   GLN  63           HA       GLN  63 -11.372  11.727  -0.561
  503   1HB   GLN  63          1HB       GLN  63  -9.769  13.334  -2.140
  504   2HB   GLN  63          2HB       GLN  63 -10.302  12.133  -3.318
  505   1HG   GLN  63          1HG       GLN  63 -12.692  12.579  -2.485
  506   2HG   GLN  63          2HG       GLN  63 -12.024  13.903  -1.521
  507   1HE2  GLN  63          2HE2      GLN  63 -13.082  14.750  -5.221
  508   2HE2  GLN  63          1HE2      GLN  63 -13.850  13.631  -4.114
  509    H    LEU  64           H        LEU  64  -8.846  10.026  -2.430
  510    HA   LEU  64           HA       LEU  64 -10.723   8.383  -3.829
  511   1HB   LEU  64          1HB       LEU  64  -8.691   8.851  -4.938
  512   2HB   LEU  64          2HB       LEU  64  -7.739   8.483  -3.516
  513    HG   LEU  64           HG       LEU  64  -8.352   6.006  -3.823
  514   1HD1  LEU  64          2HD1      LEU  64 -10.264   6.528  -5.420
  515   2HD1  LEU  64          3HD1      LEU  64  -9.063   7.035  -6.608
  516   3HD1  LEU  64          1HD1      LEU  64  -9.096   5.354  -6.048
  517   1HD2  LEU  64          1HD2      LEU  64  -6.709   7.386  -5.972
  518   2HD2  LEU  64          2HD2      LEU  64  -6.125   6.898  -4.368
  519   3HD2  LEU  64          3HD2      LEU  64  -6.632   5.668  -5.545
  520    H    THR  65           H        THR  65  -8.954   7.908  -0.780
  521    HA   THR  65           HA       THR  65 -10.063   5.145  -0.573
  522    HB   THR  65           HB       THR  65  -8.092   4.467   0.558
  523    HG1  THR  65           HG1      THR  65  -7.255   7.181   0.424
  524   1HG2  THR  65          2HG2      THR  65  -7.942   4.492  -1.913
  525   2HG2  THR  65          3HG2      THR  65  -7.137   6.088  -1.827
  526   3HG2  THR  65          1HG2      THR  65  -6.374   4.664  -1.105
  527    H    GLY  66           H        GLY  66 -10.156   8.251   1.077
  528   1HA   GLY  66          1HA       GLY  66 -11.753   8.609   2.731
  529   2HA   GLY  66          2HA       GLY  66 -11.623   6.938   3.280
  530    H    ALA  67           H        ALA  67  -8.447   7.953   2.769
  531    HA   ALA  67           HA       ALA  67  -8.058   9.505   5.175
  532   1HB   ALA  67          1HB       ALA  67  -7.261   6.575   5.013
  533   2HB   ALA  67          2HB       ALA  67  -6.598   7.701   6.217
  534   3HB   ALA  67          3HB       ALA  67  -8.333   7.289   6.196
  535    H    ARG  68           H        ARG  68  -5.938  10.277   5.307
  536    HA   ARG  68           HA       ARG  68  -4.447  10.163   2.701
  537   1HB   ARG  68          1HB       ARG  68  -3.501  12.305   3.322
  538   2HB   ARG  68          2HB       ARG  68  -5.244  12.353   3.356
  539   1HG   ARG  68          1HG       ARG  68  -4.903  11.970   5.970
  540   2HG   ARG  68          2HG       ARG  68  -3.258  12.545   5.624
  541   1HD   ARG  68          1HD       ARG  68  -4.174  14.585   4.592
  542   2HD   ARG  68          2HD       ARG  68  -5.820  13.959   4.756
  543    HE   ARG  68           HE       ARG  68  -4.479  14.159   7.319
  544   1HH1  ARG  68          2HH2      ARG  68  -6.471  15.898   4.945
  545   2HH1  ARG  68          1HH2      ARG  68  -6.655  17.317   5.905
  546   1HH2  ARG  68          2HH1      ARG  68  -4.985  15.772   8.704
  547   2HH2  ARG  68          1HH1      ARG  68  -5.987  17.144   8.226
  548    H    THR  69           H        THR  69  -4.166   9.397   6.121
  549    HA   THR  69           HA       THR  69  -1.341   9.761   6.262
  550    HB   THR  69           HB       THR  69  -1.863   8.418   8.480
  551    HG1  THR  69           HG1      THR  69  -4.306   9.253   8.697
  552   1HG2  THR  69          1HG2      THR  69  -3.066  11.159   7.814
  553   2HG2  THR  69          2HG2      THR  69  -2.750  10.543   9.439
  554   3HG2  THR  69          3HG2      THR  69  -1.402  10.836   8.345
  555    H    VAL  70           H        VAL  70   0.264   8.277   6.273
  556    HA   VAL  70           HA       VAL  70  -0.273   5.858   4.732
  557    HB   VAL  70           HB       VAL  70   2.389   6.489   4.322
  558   1HG1  VAL  70          2HG1      VAL  70  -0.036   7.575   2.832
  559   2HG1  VAL  70          3HG1      VAL  70   1.618   7.419   2.182
  560   3HG1  VAL  70          1HG1      VAL  70   0.706   5.971   2.616
  561   1HG2  VAL  70          2HG2      VAL  70   2.145   8.684   5.596
  562   2HG2  VAL  70          3HG2      VAL  70   2.610   8.850   3.899
  563   3HG2  VAL  70          1HG2      VAL  70   0.951   9.190   4.381
  564    HA   PRO  71           HA       PRO  71   2.053   4.305   4.003
  565   1HB   PRO  71          1HB       PRO  71   1.884   1.581   4.301
  566   2HB   PRO  71          2HB       PRO  71   3.334   2.515   4.744
  567   1HG   PRO  71          1HG       PRO  71   1.076   1.606   6.552
  568   2HG   PRO  71          2HG       PRO  71   2.845   1.464   6.830
  569   1HD   PRO  71          1HD       PRO  71   1.427   3.457   7.945
  570   2HD   PRO  71          2HD       PRO  71   3.073   3.746   7.302
  571    H    ARG  72           H        ARG  72   0.716   3.224   2.347
  572    HA   ARG  72           HA       ARG  72  -2.142   2.836   3.145
  573   1HB   ARG  72          1HB       ARG  72  -1.572   5.182   2.461
  574   2HB   ARG  72          2HB       ARG  72  -1.143   4.599   0.863
  575   1HG   ARG  72          1HG       ARG  72  -3.320   4.327   0.220
  576   2HG   ARG  72          2HG       ARG  72  -3.838   3.742   1.806
  577   1HD   ARG  72          1HD       ARG  72  -3.132   6.661   1.282
  578   2HD   ARG  72          2HD       ARG  72  -4.768   6.023   1.137
  579    HE   ARG  72           HE       ARG  72  -3.190   6.405   3.613
  580   1HH1  ARG  72          2HH2      ARG  72  -6.301   5.390   2.254
  581   2HH1  ARG  72          1HH2      ARG  72  -6.910   4.770   3.745
  582   1HH2  ARG  72          2HH1      ARG  72  -3.972   5.736   5.552
  583   2HH2  ARG  72          1HH1      ARG  72  -5.542   4.939   5.677
  584    H    VAL  73           H        VAL  73  -2.336   0.691   2.706
  585    HA   VAL  73           HA       VAL  73  -0.741  -0.502   0.527
  586    HB   VAL  73           HB       VAL  73  -2.397  -1.608   2.820
  587   1HG1  VAL  73          2HG1      VAL  73  -0.999  -3.156   0.590
  588   2HG1  VAL  73          3HG1      VAL  73  -1.650  -3.882   2.077
  589   3HG1  VAL  73          1HG1      VAL  73  -2.741  -3.143   0.915
  590   1HG2  VAL  73          3HG2      VAL  73  -0.161  -0.821   3.450
  591   2HG2  VAL  73          1HG2      VAL  73  -0.256  -2.580   3.538
  592   3HG2  VAL  73          2HG2      VAL  73   0.558  -1.847   2.175
  593    H    PHE  74           H        PHE  74  -1.534  -0.962  -1.402
  594    HA   PHE  74           HA       PHE  74  -4.437  -1.147  -1.910
  595   1HB   PHE  74          1HB       PHE  74  -2.247   0.272  -3.364
  596   2HB   PHE  74          2HB       PHE  74  -3.293  -0.719  -4.346
  597    HD1  PHE  74          2HD       PHE  74  -5.758  -0.380  -4.351
  598    HD2  PHE  74          1HD       PHE  74  -3.039   2.440  -2.584
  599    HE1  PHE  74          2HE       PHE  74  -7.440   1.409  -4.661
  600    HE2  PHE  74          1HE       PHE  74  -4.705   4.254  -2.918
  601    HZ   PHE  74           HZ       PHE  74  -6.909   3.747  -3.964
  602    H    ILE  75           H        ILE  75  -4.713  -3.318  -1.700
  603    HA   ILE  75           HA       ILE  75  -2.831  -5.203  -3.037
  604    HB   ILE  75           HB       ILE  75  -4.733  -5.414  -0.777
  605   1HG1  ILE  75          1HG1      ILE  75  -3.315  -7.468  -0.360
  606   2HG1  ILE  75          2HG1      ILE  75  -2.336  -6.985  -1.761
  607   1HG2  ILE  75          2HG2      ILE  75  -4.681  -7.626  -2.890
  608   2HG2  ILE  75          3HG2      ILE  75  -5.259  -7.833  -1.225
  609   3HG2  ILE  75          1HG2      ILE  75  -6.109  -6.743  -2.294
  610   1HD1  ILE  75          3HD1      ILE  75  -1.866  -4.880  -0.490
  611   2HD1  ILE  75          1HD1      ILE  75  -2.658  -5.658   0.919
  612   3HD1  ILE  75          2HD1      ILE  75  -1.203  -6.367   0.210
  613    H    GLY  76           H        GLY  76  -3.156  -5.037  -5.176
  614   1HA   GLY  76          1HA       GLY  76  -4.103  -4.806  -7.204
  615   2HA   GLY  76          2HA       GLY  76  -5.116  -6.134  -6.663
  616    H    LYS  77           H        LYS  77  -4.894  -2.656  -7.044
  617    HA   LYS  77           HA       LYS  77  -6.251  -0.930  -6.734
  618   1HB   LYS  77          1HB       LYS  77  -7.306  -2.804  -8.731
  619   2HB   LYS  77          2HB       LYS  77  -8.556  -1.729  -8.154
  620   1HG   LYS  77          1HG       LYS  77  -5.806  -0.768  -9.050
  621   2HG   LYS  77          2HG       LYS  77  -7.146  -0.953 -10.125
  622   1HD   LYS  77          1HD       LYS  77  -7.216   0.799  -7.624
  623   2HD   LYS  77          2HD       LYS  77  -6.774   1.420  -9.203
  624   1HE   LYS  77          1HE       LYS  77  -9.431  -0.011  -8.832
  625   2HE   LYS  77          2HE       LYS  77  -9.240   1.655  -8.279
  626   1HZ   LYS  77          3HZ       LYS  77  -8.607   0.838 -11.035
  627   2HZ   LYS  77          1HZ       LYS  77 -10.068   1.441 -10.575
  628   3HZ   LYS  77          2HZ       LYS  77  -8.715   2.365 -10.416
  629    H    ASP  78           H        ASP  78  -6.782  -3.103  -4.529
  630    HA   ASP  78           HA       ASP  78  -9.128  -1.575  -3.503
  631   1HB   ASP  78          1HB       ASP  78  -9.241  -4.210  -3.802
  632   2HB   ASP  78          2HB       ASP  78  -8.369  -4.202  -2.267
  633    H    CYS  79           H        CYS  79  -8.490  -0.062  -2.123
  634    HA   CYS  79           HA       CYS  79  -5.904  -0.130  -0.775
  635   1HB   CYS  79          1HB       CYS  79  -6.972   2.002  -1.596
  636   2HB   CYS  79          2HB       CYS  79  -8.206   1.818  -0.351
  637    HG   CYS  79           HG       CYS  79  -6.728   1.962   1.665
  638    H    ILE  80           H        ILE  80  -5.681  -1.435   1.065
  639    HA   ILE  80           HA       ILE  80  -8.106  -2.475   2.296
  640    HB   ILE  80           HB       ILE  80  -6.728  -3.989   3.349
  641   1HG1  ILE  80          1HG1      ILE  80  -4.113  -3.787   2.980
  642   2HG1  ILE  80          2HG1      ILE  80  -4.488  -2.056   2.950
  643   1HG2  ILE  80          2HG2      ILE  80  -6.999  -4.272   0.888
  644   2HG2  ILE  80          3HG2      ILE  80  -5.380  -3.578   0.666
  645   3HG2  ILE  80          1HG2      ILE  80  -5.587  -5.095   1.570
  646   1HD1  ILE  80          3HD1      ILE  80  -5.249  -4.015   5.170
  647   2HD1  ILE  80          1HD1      ILE  80  -3.863  -2.893   5.205
  648   3HD1  ILE  80          2HD1      ILE  80  -5.502  -2.261   5.218
  649    H    GLY  81           H        GLY  81  -5.836   0.078   2.855
  650   1HA   GLY  81          1HA       GLY  81  -6.873   1.804   4.444
  651   2HA   GLY  81          2HA       GLY  81  -6.798   0.486   5.627
  652    H    GLY  82           H        GLY  82  -5.357   1.572   6.876
  653   1HA   GLY  82          1HA       GLY  82  -2.643   2.193   5.858
  654   2HA   GLY  82          2HA       GLY  82  -3.367   2.872   7.330
  655    H    CYS  83           H        CYS  83  -1.387   2.017   8.466
  656    HA   CYS  83           HA       CYS  83  -0.843  -0.837   8.251
  657   1HB   CYS  83          1HB       CYS  83   0.809  -0.386  10.117
  658   2HB   CYS  83          2HB       CYS  83   1.135   0.338   8.540
  659    HG   CYS  83           HG       CYS  83  -0.402   1.847  11.106
  660    H    SER  84           H        SER  84  -2.816   1.247  10.377
  661    HA   SER  84           HA       SER  84  -2.945  -0.576  12.541
  662   1HB   SER  84          1HB       SER  84  -5.151   1.195  11.402
  663   2HB   SER  84          2HB       SER  84  -5.120   0.532  13.044
  664    HG   SER  84           HG       SER  84  -3.392   1.838  13.523
  665    H    ASP  85           H        ASP  85  -4.922  -0.276   9.565
  666    HA   ASP  85           HA       ASP  85  -6.554  -2.588  10.076
  667   1HB   ASP  85          1HB       ASP  85  -6.080  -0.666   7.815
  668   2HB   ASP  85          2HB       ASP  85  -6.770  -2.216   7.393
  669    H    LEU  86           H        LEU  86  -3.579  -2.002   8.202
  670    HA   LEU  86           HA       LEU  86  -3.277  -4.543   7.090
  671   1HB   LEU  86          1HB       LEU  86  -1.865  -2.394   6.771
  672   2HB   LEU  86          2HB       LEU  86  -1.000  -2.909   8.232
  673    HG   LEU  86           HG       LEU  86  -0.365  -5.026   7.062
  674   1HD1  LEU  86          1HD1      LEU  86  -1.742  -3.671   4.715
  675   2HD1  LEU  86          2HD1      LEU  86  -0.552  -4.981   4.532
  676   3HD1  LEU  86          3HD1      LEU  86  -2.064  -5.266   5.396
  677   1HD2  LEU  86          3HD2      LEU  86   0.408  -2.373   5.754
  678   2HD2  LEU  86          1HD2      LEU  86   1.129  -3.074   7.213
  679   3HD2  LEU  86          2HD2      LEU  86   1.350  -3.877   5.659
  680    H    VAL  87           H        VAL  87  -2.366  -3.499  10.505
  681    HA   VAL  87           HA       VAL  87  -1.101  -5.900  11.176
  682    HB   VAL  87           HB       VAL  87  -2.410  -3.587  12.650
  683   1HG1  VAL  87          1HG1      VAL  87  -1.104  -6.054  13.831
  684   2HG1  VAL  87          2HG1      VAL  87  -1.424  -4.537  14.727
  685   3HG1  VAL  87          3HG1      VAL  87  -2.773  -5.486  14.089
  686   1HG2  VAL  87          1HG2      VAL  87  -0.127  -3.334  11.506
  687   2HG2  VAL  87          2HG2      VAL  87  -0.187  -2.968  13.233
  688   3HG2  VAL  87          3HG2      VAL  87   0.487  -4.516  12.666
  689    H    SER  88           H        SER  88  -4.621  -4.851  11.324
  690    HA   SER  88           HA       SER  88  -5.545  -7.171  12.760
  691   1HB   SER  88          1HB       SER  88  -6.873  -5.226  10.845
  692   2HB   SER  88          2HB       SER  88  -7.498  -6.852  10.853
  693    HG   SER  88           HG       SER  88  -8.650  -5.771  12.299
  694    H    LEU  89           H        LEU  89  -5.413  -6.380   9.231
  695    HA   LEU  89           HA       LEU  89  -6.385  -8.912   8.544
  696   1HB   LEU  89          1HB       LEU  89  -5.037  -6.722   6.926
  697   2HB   LEU  89          2HB       LEU  89  -5.522  -8.249   6.222
  698    HG   LEU  89           HG       LEU  89  -7.860  -7.818   7.228
  699   1HD1  LEU  89          1HD1      LEU  89  -6.900  -4.949   7.061
  700   2HD1  LEU  89          2HD1      LEU  89  -8.580  -5.491   7.239
  701   3HD1  LEU  89          3HD1      LEU  89  -7.432  -5.808   8.528
  702   1HD2  LEU  89          3HD2      LEU  89  -7.321  -7.940   4.813
  703   2HD2  LEU  89          1HD2      LEU  89  -8.532  -6.706   5.146
  704   3HD2  LEU  89          2HD2      LEU  89  -6.853  -6.222   4.834
  705    H    GLN  90           H        GLN  90  -3.019  -7.926   9.190
  706    HA   GLN  90           HA       GLN  90  -1.923 -10.402   8.161
  707   1HB   GLN  90          1HB       GLN  90  -0.534  -8.373   8.586
  708   2HB   GLN  90          2HB       GLN  90  -0.829  -8.563  10.322
  709   1HG   GLN  90          1HG       GLN  90   0.222 -10.875  10.151
  710   2HG   GLN  90          2HG       GLN  90   0.614 -10.520   8.470
  711   1HE2  GLN  90          2HE2      GLN  90   3.676  -9.081   9.570
  712   2HE2  GLN  90          1HE2      GLN  90   2.827  -9.798   8.230
  713    H    GLN  91           H        GLN  91  -2.894  -9.331  11.557
  714    HA   GLN  91           HA       GLN  91  -2.140 -11.746  12.737
  715   1HB   GLN  91          1HB       GLN  91  -3.132  -9.141  13.422
  716   2HB   GLN  91          2HB       GLN  91  -4.254 -10.241  14.148
  717   1HG   GLN  91          1HG       GLN  91  -1.244 -10.547  14.484
  718   2HG   GLN  91          2HG       GLN  91  -2.187  -9.383  15.376
  719   1HE2  GLN  91          2HE2      GLN  91  -3.316 -13.231  16.296
  720   2HE2  GLN  91          1HE2      GLN  91  -3.347 -12.828  14.593
  721    H    SER  92           H        SER  92  -5.284 -10.602  11.583
  722    HA   SER  92           HA       SER  92  -6.941 -12.852  12.340
  723   1HB   SER  92          1HB       SER  92  -7.605 -10.411  11.911
  724   2HB   SER  92          2HB       SER  92  -7.279 -10.685  10.201
  725    HG   SER  92           HG       SER  92  -9.402 -10.964  10.428
  726    H    GLY  93           H        GLY  93  -4.594 -12.190   9.830
  727   1HA   GLY  93          1HA       GLY  93  -3.876 -13.406   8.080
  728   2HA   GLY  93          2HA       GLY  93  -5.057 -14.676   8.453
  729    H    GLU  94           H        GLU  94  -6.630 -11.473   8.123
  730    HA   GLU  94           HA       GLU  94  -8.176 -12.541   5.966
  731   1HB   GLU  94          1HB       GLU  94  -7.867 -10.095   7.654
  732   2HB   GLU  94          2HB       GLU  94  -8.454  -9.757   6.036
  733   1HG   GLU  94          1HG       GLU  94 -10.430 -11.012   6.337
  734   2HG   GLU  94          2HG       GLU  94  -9.780 -11.855   7.759
  735    H    LEU  95           H        LEU  95  -5.285 -10.609   6.217
  736    HA   LEU  95           HA       LEU  95  -5.156  -9.365   3.709
  737   1HB   LEU  95          1HB       LEU  95  -3.652  -9.180   5.879
  738   2HB   LEU  95          2HB       LEU  95  -2.714 -10.451   5.146
  739    HG   LEU  95           HG       LEU  95  -2.221  -8.938   3.262
  740   1HD1  LEU  95          2HD1      LEU  95  -3.868  -6.865   4.786
  741   2HD1  LEU  95          3HD1      LEU  95  -2.811  -6.520   3.398
  742   3HD1  LEU  95          1HD1      LEU  95  -4.248  -7.508   3.175
  743   1HD2  LEU  95          1HD2      LEU  95  -1.739  -7.739   6.019
  744   2HD2  LEU  95          2HD2      LEU  95  -0.761  -8.990   5.222
  745   3HD2  LEU  95          3HD2      LEU  95  -0.818  -7.360   4.547
  746    H    LEU  96           H        LEU  96  -4.266 -12.697   4.671
  747    HA   LEU  96           HA       LEU  96  -2.732 -13.251   2.290
  748   1HB   LEU  96          1HB       LEU  96  -4.125 -15.083   4.304
  749   2HB   LEU  96          2HB       LEU  96  -3.229 -15.685   2.931
  750    HG   LEU  96           HG       LEU  96  -1.874 -15.875   4.859
  751   1HD1  LEU  96          1HD1      LEU  96  -0.712 -15.277   2.756
  752   2HD1  LEU  96          2HD1      LEU  96  -0.737 -13.563   3.235
  753   3HD1  LEU  96          3HD1      LEU  96   0.157 -14.757   4.198
  754   1HD2  LEU  96          3HD2      LEU  96  -2.890 -14.092   6.242
  755   2HD2  LEU  96          1HD2      LEU  96  -1.127 -14.091   6.282
  756   3HD2  LEU  96          2HD2      LEU  96  -1.979 -12.867   5.321
  757    H    THR  97           H        THR  97  -6.169 -13.909   3.213
  758    HA   THR  97           HA       THR  97  -6.904 -15.075   0.731
  759    HB   THR  97           HB       THR  97  -8.567 -13.452   2.729
  760    HG1  THR  97           HG1      THR  97  -8.693 -15.297   3.894
  761   1HG2  THR  97          3HG2      THR  97  -9.350 -15.727   0.847
  762   2HG2  THR  97          1HG2      THR  97 -10.409 -14.973   2.062
  763   3HG2  THR  97          2HG2      THR  97  -9.831 -14.019   0.688
  764    H    ARG  98           H        ARG  98  -7.096 -11.685   1.935
  765    HA   ARG  98           HA       ARG  98  -8.212 -10.467  -0.309
  766   1HB   ARG  98          1HB       ARG  98  -6.881  -9.670   2.133
  767   2HB   ARG  98          2HB       ARG  98  -6.165  -8.725   0.855
  768   1HG   ARG  98          1HG       ARG  98  -9.183  -8.998   1.125
  769   2HG   ARG  98          2HG       ARG  98  -8.283  -7.846   2.114
  770   1HD   ARG  98          1HD       ARG  98  -7.926  -6.393   0.409
  771   2HD   ARG  98          2HD       ARG  98  -7.539  -7.675  -0.727
  772    HE   ARG  98           HE       ARG  98  -9.635  -7.787  -1.496
  773   1HH1  ARG  98          2HH2      ARG  98  -9.819  -5.815   1.523
  774   2HH1  ARG  98          1HH2      ARG  98 -11.286  -5.059   1.035
  775   1HH2  ARG  98          2HH1      ARG  98 -11.742  -6.899  -1.910
  776   2HH2  ARG  98          1HH1      ARG  98 -12.456  -5.798  -0.758
  777    H    LEU  99           H        LEU  99  -4.682 -11.041   0.288
  778    HA   LEU  99           HA       LEU  99  -3.840 -10.057  -2.239
  779   1HB   LEU  99          1HB       LEU  99  -2.684 -11.801  -0.014
  780   2HB   LEU  99          2HB       LEU  99  -1.913 -11.843  -1.570
  781    HG   LEU  99           HG       LEU  99  -2.110  -9.162  -1.328
  782   1HD1  LEU  99          2HD1      LEU  99  -1.656 -10.237   1.486
  783   2HD1  LEU  99          3HD1      LEU  99  -1.340  -8.566   0.984
  784   3HD1  LEU  99          1HD1      LEU  99  -2.991  -9.185   0.966
  785   1HD2  LEU  99          3HD2      LEU  99   0.060 -10.918  -0.190
  786   2HD2  LEU  99          1HD2      LEU  99  -0.087 -10.368  -1.884
  787   3HD2  LEU  99          2HD2      LEU  99   0.245  -9.194  -0.606
  788    H    LYS 100           H        LYS 100  -4.622 -13.469  -1.244
  789    HA   LYS 100           HA       LYS 100  -3.378 -14.256  -3.678
  790   1HB   LYS 100          1HB       LYS 100  -4.303 -15.702  -1.549
  791   2HB   LYS 100          2HB       LYS 100  -5.424 -16.214  -2.780
  792   1HG   LYS 100          1HG       LYS 100  -3.145 -16.218  -4.312
  793   2HG   LYS 100          2HG       LYS 100  -2.402 -16.504  -2.768
  794   1HD   LYS 100          1HD       LYS 100  -3.777 -18.566  -2.502
  795   2HD   LYS 100          2HD       LYS 100  -4.568 -18.224  -4.044
  796   1HE   LYS 100          1HE       LYS 100  -1.615 -18.906  -3.607
  797   2HE   LYS 100          2HE       LYS 100  -2.856 -19.914  -4.371
  798   1HZ   LYS 100          1HZ       LYS 100  -2.976 -17.938  -6.030
  799   2HZ   LYS 100          2HZ       LYS 100  -1.462 -17.588  -5.448
  800   3HZ   LYS 100          3HZ       LYS 100  -1.728 -19.004  -6.155
  801    H    GLN 101           H        GLN 101  -6.629 -13.427  -3.075
  802    HA   GLN 101           HA       GLN 101  -7.914 -14.032  -5.490
  803   1HB   GLN 101          1HB       GLN 101  -9.021 -12.726  -3.736
  804   2HB   GLN 101          2HB       GLN 101  -8.027 -11.312  -4.130
  805   1HG   GLN 101          1HG       GLN 101  -8.999 -11.277  -6.436
  806   2HG   GLN 101          2HG       GLN 101  -9.996 -12.679  -6.025
  807   1HE2  GLN 101          2HE2      GLN 101 -11.533  -9.118  -5.311
  808   2HE2  GLN 101          1HE2      GLN 101 -10.351  -9.457  -6.551
  809    H    ILE 102           H        ILE 102  -5.468 -11.349  -5.029
  810    HA   ILE 102           HA       ILE 102  -5.724 -10.631  -7.835
  811    HB   ILE 102           HB       ILE 102  -4.391  -8.804  -7.400
  812   1HG1  ILE 102          1HG1      ILE 102  -3.497  -9.053  -4.644
  813   2HG1  ILE 102          2HG1      ILE 102  -2.962 -10.437  -5.546
  814   1HG2  ILE 102          3HG2      ILE 102  -6.586  -8.697  -6.271
  815   2HG2  ILE 102          1HG2      ILE 102  -5.859  -9.340  -4.769
  816   3HG2  ILE 102          2HG2      ILE 102  -5.352  -7.776  -5.374
  817   1HD1  ILE 102          3HD1      ILE 102  -1.962  -8.960  -7.264
  818   2HD1  ILE 102          1HD1      ILE 102  -2.497  -7.549  -6.318
  819   3HD1  ILE 102          2HD1      ILE 102  -1.293  -8.683  -5.657
  820    H    GLY 103           H        GLY 103  -4.472 -13.339  -6.701
  821   1HA   GLY 103          1HA       GLY 103  -3.114 -14.896  -7.683
  822   2HA   GLY 103          2HA       GLY 103  -2.710 -13.726  -8.943
  823    H    ALA 104           H        ALA 104  -2.216 -13.258  -5.401
  824    HA   ALA 104           HA       ALA 104   0.619 -12.553  -5.932
  825   1HB   ALA 104          3HB       ALA 104  -1.225 -12.500  -3.484
  826   2HB   ALA 104          1HB       ALA 104   0.449 -11.908  -3.505
  827   3HB   ALA 104          2HB       ALA 104  -0.802 -11.097  -4.487
  828    H    LEU 105           H        LEU 105  -0.847 -14.561  -3.224
  829    HA   LEU 105           HA       LEU 105   1.707 -15.247  -2.629
  830   1HB   LEU 105          1HB       LEU 105  -0.367 -17.219  -1.901
  831   2HB   LEU 105          2HB       LEU 105   0.935 -16.560  -0.982
  832    HG   LEU 105           HG       LEU 105  -1.532 -14.901  -1.546
  833   1HD1  LEU 105          2HD1      LEU 105  -0.848 -16.615   0.872
  834   2HD1  LEU 105          3HD1      LEU 105  -2.203 -15.464   0.756
  835   3HD1  LEU 105          1HD1      LEU 105  -2.170 -16.896  -0.278
  836   1HD2  LEU 105          3HD2      LEU 105   0.491 -13.606  -0.988
  837   2HD2  LEU 105          1HD2      LEU 105  -0.721 -13.521   0.305
  838   3HD2  LEU 105          2HD2      LEU 105   0.705 -14.563   0.483
  839    H    GLN 106           H        GLN 106   3.113 -16.797  -3.049
  840    HA   GLN 106           HA       GLN 106   2.777 -19.187  -4.531
  841   1HB   GLN 106          2HB       GLN 106   2.804 -17.393  -6.344
  842   2HB   GLN 106          3HB       GLN 106   4.338 -16.805  -5.667
  843   1HG   GLN 106          2HG       GLN 106   5.329 -19.077  -6.072
  844   2HG   GLN 106          3HG       GLN 106   3.786 -19.582  -6.748
  845   1HE2  GLN 106          2HE2      GLN 106   4.811 -18.497  -9.994
  846   2HE2  GLN 106          1HE2      GLN 106   3.789 -19.497  -8.998
   
  No H/Q in entry =         846
  Start of MODEL    2
    1   1H    ALA   2          2H        ALA   2  -2.556  14.374  -9.491
    2   2H    ALA   2          3H        ALA   2  -3.313  14.625  -8.036
    3   3H    ALA   2          1H        ALA   2  -1.698  14.869  -8.194
    4    HA   ALA   2           HA       ALA   2  -1.232  12.650  -8.562
    5   1HB   ALA   2          2HB       ALA   2  -1.352  13.429  -6.227
    6   2HB   ALA   2          3HB       ALA   2  -3.040  12.873  -6.150
    7   3HB   ALA   2          1HB       ALA   2  -1.734  11.702  -6.399
    8    H    GLN   3           H        GLN   3  -4.629  13.195  -9.268
    9    HA   GLN   3           HA       GLN   3  -5.561  10.556  -9.158
   10   1HB   GLN   3          1HB       GLN   3  -6.830  12.799  -9.379
   11   2HB   GLN   3          2HB       GLN   3  -6.493  12.678 -11.105
   12   1HG   GLN   3          1HG       GLN   3  -7.582  10.233 -10.746
   13   2HG   GLN   3          2HG       GLN   3  -8.297  11.003  -9.355
   14   1HE2  GLN   3          2HE2      GLN   3 -10.185  11.365 -12.790
   15   2HE2  GLN   3          1HE2      GLN   3  -9.093  10.069 -12.328
   16    H    GLU   4           H        GLU   4  -2.988  10.388 -10.373
   17    HA   GLU   4           HA       GLU   4  -3.403   8.854 -12.776
   18   1HB   GLU   4          1HB       GLU   4  -3.491  11.031 -13.836
   19   2HB   GLU   4          2HB       GLU   4  -2.116  11.594 -12.901
   20   1HG   GLU   4          1HG       GLU   4  -0.722   9.768 -14.082
   21   2HG   GLU   4          2HG       GLU   4  -2.129   9.483 -15.105
   22    H    PHE   5           H        PHE   5  -0.841  10.863 -11.088
   23    HA   PHE   5           HA       PHE   5   1.118   8.931 -11.277
   24   1HB   PHE   5          1HB       PHE   5   1.617  11.172 -10.470
   25   2HB   PHE   5          2HB       PHE   5   0.759  10.856  -8.959
   26    HD1  PHE   5          1HD       PHE   5   3.626   9.637 -11.077
   27    HD2  PHE   5          2HD       PHE   5   1.908   9.782  -7.127
   28    HE1  PHE   5          1HE       PHE   5   5.668   8.582 -10.148
   29    HE2  PHE   5          2HE       PHE   5   3.972   8.749  -6.201
   30    HZ   PHE   5           HZ       PHE   5   5.846   8.140  -7.711
   31    H    VAL   6           H        VAL   6  -1.179   9.254  -8.498
   32    HA   VAL   6           HA       VAL   6  -0.338   6.786  -7.260
   33    HB   VAL   6           HB       VAL   6  -2.555   8.782  -6.957
   34   1HG1  VAL   6          3HG1      VAL   6  -2.752   6.087  -5.595
   35   2HG1  VAL   6          1HG1      VAL   6  -3.675   7.538  -5.182
   36   3HG1  VAL   6          2HG1      VAL   6  -3.903   6.760  -6.753
   37   1HG2  VAL   6          1HG2      VAL   6  -0.309   8.933  -5.801
   38   2HG2  VAL   6          2HG2      VAL   6  -1.703   8.915  -4.697
   39   3HG2  VAL   6          3HG2      VAL   6  -0.719   7.466  -4.912
   40    H    ASN   7           H        ASN   7  -3.002   7.600  -9.541
   41    HA   ASN   7           HA       ASN   7  -4.252   5.069  -9.292
   42   1HB   ASN   7          1HB       ASN   7  -4.442   7.173 -11.474
   43   2HB   ASN   7          2HB       ASN   7  -5.385   5.679 -11.487
   44   1HD2  ASN   7          2HD2      ASN   7  -7.532   8.194  -9.807
   45   2HD2  ASN   7          1HD2      ASN   7  -6.887   8.035 -11.428
   46    H    CYS   8           H        CYS   8  -2.084   6.238 -11.914
   47    HA   CYS   8           HA       CYS   8  -1.934   3.716 -13.261
   48   1HB   CYS   8          1HB       CYS   8  -0.196   6.197 -13.435
   49   2HB   CYS   8          2HB       CYS   8  -0.123   4.804 -14.521
   50    HG   CYS   8           HG       CYS   8  -1.268   6.581 -15.809
   51    H    LYS   9           H        LYS   9  -0.631   4.634 -10.229
   52    HA   LYS   9           HA       LYS   9   1.734   2.916 -10.490
   53   1HB   LYS   9          1HB       LYS   9   0.944   4.933  -8.585
   54   2HB   LYS   9          2HB       LYS   9   1.156   3.408  -7.751
   55   1HG   LYS   9          1HG       LYS   9   3.243   4.692  -7.826
   56   2HG   LYS   9          2HG       LYS   9   3.360   3.138  -8.624
   57   1HD   LYS   9          1HD       LYS   9   2.922   4.619 -10.815
   58   2HD   LYS   9          2HD       LYS   9   3.452   5.933  -9.768
   59   1HE   LYS   9          1HE       LYS   9   5.318   5.074 -11.052
   60   2HE   LYS   9          2HE       LYS   9   5.571   4.671  -9.352
   61   1HZ   LYS   9          2HZ       LYS   9   4.418   2.768 -11.327
   62   2HZ   LYS   9          3HZ       LYS   9   6.013   2.797 -10.880
   63   3HZ   LYS   9          1HZ       LYS   9   4.866   2.425  -9.795
   64    H    ILE  10           H        ILE  10  -1.675   2.522  -9.691
   65    HA   ILE  10           HA       ILE  10  -0.997  -0.206  -8.746
   66    HB   ILE  10           HB       ILE  10  -3.742   0.923  -8.506
   67   1HG1  ILE  10          1HG1      ILE  10  -2.528   1.409  -5.930
   68   2HG1  ILE  10          2HG1      ILE  10  -1.587   2.289  -7.093
   69   1HG2  ILE  10          2HG2      ILE  10  -2.058  -0.936  -6.764
   70   2HG2  ILE  10          3HG2      ILE  10  -3.704  -0.453  -6.395
   71   3HG2  ILE  10          1HG2      ILE  10  -3.389  -1.404  -7.842
   72   1HD1  ILE  10          2HD1      ILE  10  -4.627   2.400  -6.798
   73   2HD1  ILE  10          3HD1      ILE  10  -3.483   3.641  -6.257
   74   3HD1  ILE  10          1HD1      ILE  10  -3.686   3.319  -7.991
   75    H    GLN  11           H        GLN  11  -2.636  -1.816  -9.465
   76    HA   GLN  11           HA       GLN  11  -4.197  -1.408 -11.826
   77   1HB   GLN  11          1HB       GLN  11  -3.075  -3.253 -13.097
   78   2HB   GLN  11          2HB       GLN  11  -2.048  -1.850 -12.928
   79   1HG   GLN  11          1HG       GLN  11  -0.472  -2.958 -11.772
   80   2HG   GLN  11          2HG       GLN  11  -1.627  -3.639 -10.664
   81   1HE2  GLN  11          2HE2      GLN  11  -1.963  -6.599 -12.996
   82   2HE2  GLN  11          1HE2      GLN  11  -3.011  -5.208 -13.130
   83    HA   PRO  12           HA       PRO  12  -6.091  -4.702  -9.424
   84   1HB   PRO  12          1HB       PRO  12  -7.716  -6.024 -11.159
   85   2HB   PRO  12          2HB       PRO  12  -7.917  -4.303 -10.719
   86   1HG   PRO  12          1HG       PRO  12  -6.495  -5.398 -13.172
   87   2HG   PRO  12          2HG       PRO  12  -7.826  -4.191 -13.118
   88   1HD   PRO  12          1HD       PRO  12  -5.222  -3.426 -13.212
   89   2HD   PRO  12          2HD       PRO  12  -6.413  -2.524 -12.240
   90    H    GLY  13           H        GLY  13  -3.609  -5.332  -9.573
   91   1HA   GLY  13          1HA       GLY  13  -3.492  -8.087  -9.096
   92   2HA   GLY  13          2HA       GLY  13  -2.961  -7.882 -10.739
   93    H    LYS  14           H        LYS  14  -2.111  -5.262  -8.536
   94    HA   LYS  14           HA       LYS  14   0.575  -6.433  -8.054
   95   1HB   LYS  14          1HB       LYS  14   0.165  -4.315  -9.755
   96   2HB   LYS  14          2HB       LYS  14   0.348  -3.455  -8.238
   97   1HG   LYS  14          1HG       LYS  14   2.591  -4.445  -8.022
   98   2HG   LYS  14          2HG       LYS  14   2.308  -5.483  -9.432
   99   1HD   LYS  14          1HD       LYS  14   3.734  -3.606 -10.025
  100   2HD   LYS  14          2HD       LYS  14   2.174  -3.445 -10.851
  101   1HE   LYS  14          1HE       LYS  14   1.432  -1.853  -9.066
  102   2HE   LYS  14          2HE       LYS  14   3.021  -1.995  -8.290
  103   1HZ   LYS  14          2HZ       LYS  14   2.631  -1.053 -11.052
  104   2HZ   LYS  14          3HZ       LYS  14   2.639  -0.043  -9.767
  105   3HZ   LYS  14          1HZ       LYS  14   4.003  -0.906 -10.121
  106    H    VAL  15           H        VAL  15   1.530  -5.553  -5.993
  107    HA   VAL  15           HA       VAL  15  -0.563  -4.834  -4.029
  108    HB   VAL  15           HB       VAL  15   2.136  -6.223  -3.682
  109   1HG1  VAL  15          2HG1      VAL  15  -0.180  -5.568  -1.889
  110   2HG1  VAL  15          3HG1      VAL  15   1.099  -6.685  -1.371
  111   3HG1  VAL  15          1HG1      VAL  15   1.442  -4.970  -1.683
  112   1HG2  VAL  15          2HG2      VAL  15  -0.654  -7.426  -3.702
  113   2HG2  VAL  15          3HG2      VAL  15   0.698  -7.797  -4.794
  114   3HG2  VAL  15          1HG2      VAL  15   0.810  -8.248  -3.104
  115    H    VAL  16           H        VAL  16  -0.466  -2.549  -4.005
  116    HA   VAL  16           HA       VAL  16   2.271  -1.366  -4.217
  117    HB   VAL  16           HB       VAL  16  -0.434  -0.134  -4.853
  118   1HG1  VAL  16          2HG1      VAL  16   2.407   0.811  -5.444
  119   2HG1  VAL  16          3HG1      VAL  16   0.911   1.609  -5.984
  120   3HG1  VAL  16          1HG1      VAL  16   1.315   1.569  -4.268
  121   1HG2  VAL  16          2HG2      VAL  16   1.764  -1.368  -6.573
  122   2HG2  VAL  16          3HG2      VAL  16   0.072  -1.896  -6.470
  123   3HG2  VAL  16          1HG2      VAL  16   0.468  -0.345  -7.214
  124    H    VAL  17           H        VAL  17   2.917   0.168  -2.692
  125    HA   VAL  17           HA       VAL  17   0.959   0.867  -0.597
  126    HB   VAL  17           HB       VAL  17   3.837   0.462   0.193
  127   1HG1  VAL  17          2HG1      VAL  17   1.186   0.465   1.676
  128   2HG1  VAL  17          3HG1      VAL  17   2.785   0.236   2.430
  129   3HG1  VAL  17          1HG1      VAL  17   2.343   1.763   1.643
  130   1HG2  VAL  17          3HG2      VAL  17   1.791  -1.765   0.076
  131   2HG2  VAL  17          1HG2      VAL  17   3.412  -1.716  -0.623
  132   3HG2  VAL  17          2HG2      VAL  17   3.222  -1.773   1.134
  133    H    PHE  18           H        PHE  18   0.718   3.051  -0.759
  134    HA   PHE  18           HA       PHE  18   2.926   4.695  -1.800
  135   1HB   PHE  18          1HB       PHE  18   0.266   5.587  -0.568
  136   2HB   PHE  18          2HB       PHE  18   1.377   6.614  -1.477
  137    HD1  PHE  18          1HD       PHE  18   2.029   5.905  -3.843
  138    HD2  PHE  18          2HD       PHE  18  -1.531   4.568  -1.817
  139    HE1  PHE  18          1HE       PHE  18   1.061   5.181  -6.020
  140    HE2  PHE  18          2HE       PHE  18  -2.504   3.878  -4.002
  141    HZ   PHE  18           HZ       PHE  18  -1.185   4.172  -6.088
  142    H    ILE  19           H        ILE  19   4.543   5.331  -0.497
  143    HA   ILE  19           HA       ILE  19   4.272   5.404   2.439
  144    HB   ILE  19           HB       ILE  19   6.484   4.184   2.543
  145   1HG1  ILE  19          1HG1      ILE  19   6.643   2.581   0.376
  146   2HG1  ILE  19          2HG1      ILE  19   6.122   4.008  -0.447
  147   1HG2  ILE  19          2HG2      ILE  19   4.287   3.103   2.951
  148   2HG2  ILE  19          3HG2      ILE  19   4.340   2.522   1.268
  149   3HG2  ILE  19          1HG2      ILE  19   5.573   1.999   2.434
  150   1HD1  ILE  19          3HD1      ILE  19   8.572   3.787   1.346
  151   2HD1  ILE  19          1HD1      ILE  19   8.561   3.813  -0.432
  152   3HD1  ILE  19          2HD1      ILE  19   8.072   5.256   0.472
  153    H    LYS  20           H        LYS  20   6.545   6.157   3.290
  154    HA   LYS  20           HA       LYS  20   7.912   8.085   1.533
  155   1HB   LYS  20          1HB       LYS  20   8.269   9.306   3.930
  156   2HB   LYS  20          2HB       LYS  20   7.016   9.761   2.773
  157   1HG   LYS  20          1HG       LYS  20   5.337   8.468   4.016
  158   2HG   LYS  20          2HG       LYS  20   6.591   7.896   5.112
  159   1HD   LYS  20          1HD       LYS  20   5.343   9.607   6.209
  160   2HD   LYS  20          2HD       LYS  20   6.942  10.267   5.866
  161   1HE   LYS  20          1HE       LYS  20   5.997  11.494   3.902
  162   2HE   LYS  20          2HE       LYS  20   4.412  10.765   4.216
  163   1HZ   LYS  20          3HZ       LYS  20   4.531  11.880   6.440
  164   2HZ   LYS  20          1HZ       LYS  20   5.849  12.720   5.872
  165   3HZ   LYS  20          2HZ       LYS  20   4.406  12.916   5.172
  166    HA   PRO  21           HA       PRO  21  11.139   5.457   2.496
  167   1HB   PRO  21          1HB       PRO  21  13.428   6.938   2.458
  168   2HB   PRO  21          2HB       PRO  21  12.340   6.813   1.046
  169   1HG   PRO  21          1HG       PRO  21  12.426   9.023   3.126
  170   2HG   PRO  21          2HG       PRO  21  12.454   9.184   1.340
  171   1HD   PRO  21          1HD       PRO  21  10.137   9.402   2.774
  172   2HD   PRO  21          2HD       PRO  21  10.178   8.654   1.163
  173    H    THR  22           H        THR  22   9.966   6.975   5.021
  174    HA   THR  22           HA       THR  22  11.986   6.214   6.946
  175    HB   THR  22           HB       THR  22  12.759   8.195   6.937
  176    HG1  THR  22           HG1      THR  22  11.940   9.338   8.695
  177   1HG2  THR  22          3HG2      THR  22   9.968   9.041   6.338
  178   2HG2  THR  22          1HG2      THR  22  11.291  10.185   6.757
  179   3HG2  THR  22          2HG2      THR  22  11.456   9.150   5.336
  180    H    CYS  23           H        CSN  23   9.343   8.016   8.061
  181    HA   CYS  23           HA       CSN  23   7.642   7.600   9.384
  182   1HB   CYS  23          2HB       CSN  23   6.615   8.022   7.326
  183   2HB   CYS  23          3HB       CSN  23   6.791   6.356   6.817
  184    HA   PRO  24           HA       PRO  24   8.433   3.616  11.226
  185   1HB   PRO  24          1HB       PRO  24   7.000   3.858  13.557
  186   2HB   PRO  24          2HB       PRO  24   8.563   4.686  13.267
  187   1HG   PRO  24          1HG       PRO  24   5.786   5.829  12.916
  188   2HG   PRO  24          2HG       PRO  24   7.175   6.540  13.798
  189   1HD   PRO  24          1HD       PRO  24   6.589   7.237  11.230
  190   2HD   PRO  24          2HD       PRO  24   8.289   7.094  11.776
  191    H    TYR  25           H        TYR  25   5.332   4.874  10.223
  192    HA   TYR  25           HA       TYR  25   3.947   2.328  10.728
  193   1HB   TYR  25          1HB       TYR  25   3.037   4.878   9.342
  194   2HB   TYR  25          2HB       TYR  25   2.047   3.454   9.639
  195    HD1  TYR  25          1HD       TYR  25   1.285   2.844  11.924
  196    HD2  TYR  25          2HD       TYR  25   3.773   6.301  11.214
  197    HE1  TYR  25          1HE       TYR  25   0.912   3.582  14.247
  198    HE2  TYR  25          2HE       TYR  25   3.417   7.046  13.523
  199    HH   TYR  25           HH       TYR  25   2.026   6.731  15.422
  200    H    CYS  26           H        CYS  26   5.314   4.262   8.014
  201    HA   CYS  26           HA       CYS  26   4.637   2.429   5.922
  202   1HB   CYS  26          1HB       CYS  26   6.954   4.411   6.251
  203   2HB   CYS  26          2HB       CYS  26   6.642   3.495   4.787
  204    HG   CYS  26           HG       CYS  26   4.846   5.780   6.296
  205    H    ARG  27           H        ARG  27   7.520   2.732   8.040
  206    HA   ARG  27           HA       ARG  27   9.055   0.606   7.053
  207   1HB   ARG  27          1HB       ARG  27   9.692   2.279   8.908
  208   2HB   ARG  27          2HB       ARG  27   8.806   1.243  10.022
  209   1HG   ARG  27          1HG       ARG  27  10.187  -0.716   9.195
  210   2HG   ARG  27          2HG       ARG  27  11.139   0.409   8.239
  211   1HD   ARG  27          1HD       ARG  27  11.905   1.530  10.306
  212   2HD   ARG  27          2HD       ARG  27  10.926   0.425  11.285
  213    HE   ARG  27           HE       ARG  27  13.471  -0.101   9.946
  214   1HH1  ARG  27          2HH2      ARG  27  10.784  -1.736  11.581
  215   2HH1  ARG  27          1HH2      ARG  27  11.169  -3.314  11.027
  216   1HH2  ARG  27          2HH1      ARG  27  14.185  -2.079   9.410
  217   2HH2  ARG  27          1HH1      ARG  27  13.346  -3.534   9.833
  218    H    ARG  28           H        ARG  28   6.572   0.460   9.681
  219    HA   ARG  28           HA       ARG  28   6.800  -2.327  10.099
  220   1HB   ARG  28          1HB       ARG  28   5.364  -0.734  11.495
  221   2HB   ARG  28          2HB       ARG  28   4.188  -0.761  10.207
  222   1HG   ARG  28          1HG       ARG  28   3.289  -2.557  11.349
  223   2HG   ARG  28          2HG       ARG  28   4.447  -3.434  10.434
  224   1HD   ARG  28          1HD       ARG  28   5.566  -4.132  12.215
  225   2HD   ARG  28          2HD       ARG  28   5.830  -2.501  12.806
  226    HE   ARG  28           HE       ARG  28   3.806  -4.420  13.628
  227   1HH1  ARG  28          2HH2      ARG  28   4.970  -1.103  14.017
  228   2HH1  ARG  28          1HH2      ARG  28   3.556  -0.514  14.832
  229   1HH2  ARG  28          2HH1      ARG  28   2.080  -3.768  14.984
  230   2HH2  ARG  28          1HH1      ARG  28   1.880  -2.095  15.471
  231    H    ALA  29           H        ALA  29   4.475  -0.577   8.029
  232    HA   ALA  29           HA       ALA  29   3.211  -2.868   7.033
  233   1HB   ALA  29          1HB       ALA  29   3.677  -0.229   5.557
  234   2HB   ALA  29          2HB       ALA  29   2.493  -1.470   5.090
  235   3HB   ALA  29          3HB       ALA  29   2.313  -0.624   6.640
  236    H    GLN  30           H        GLN  30   6.250  -1.311   5.703
  237    HA   GLN  30           HA       GLN  30   6.613  -2.970   3.566
  238   1HB   GLN  30          1HB       GLN  30   8.137  -1.028   5.184
  239   2HB   GLN  30          2HB       GLN  30   9.150  -2.421   4.938
  240   1HG   GLN  30          1HG       GLN  30   9.533  -1.935   2.795
  241   2HG   GLN  30          2HG       GLN  30   7.812  -1.877   2.515
  242   1HE2  GLN  30          2HE2      GLN  30   8.112   1.880   3.379
  243   2HE2  GLN  30          1HE2      GLN  30   7.366   0.584   4.310
  244    H    GLU  31           H        GLU  31   7.727  -3.546   6.999
  245    HA   GLU  31           HA       GLU  31   9.099  -5.826   6.341
  246   1HB   GLU  31          1HB       GLU  31   9.353  -3.997   8.184
  247   2HB   GLU  31          2HB       GLU  31   7.843  -4.574   8.891
  248   1HG   GLU  31          1HG       GLU  31   9.062  -6.850   8.918
  249   2HG   GLU  31          2HG       GLU  31  10.516  -5.800   8.790
  250    H    ILE  32           H        ILE  32   5.959  -5.155   7.781
  251    HA   ILE  32           HA       ILE  32   4.998  -7.761   8.341
  252    HB   ILE  32           HB       ILE  32   3.842  -5.050   7.695
  253   1HG1  ILE  32          1HG1      ILE  32   3.665  -6.990  10.057
  254   2HG1  ILE  32          2HG1      ILE  32   4.659  -5.550   9.956
  255   1HG2  ILE  32          3HG2      ILE  32   2.185  -7.543   7.820
  256   2HG2  ILE  32          1HG2      ILE  32   1.527  -5.914   8.065
  257   3HG2  ILE  32          2HG2      ILE  32   2.257  -6.297   6.530
  258   1HD1  ILE  32          3HD1      ILE  32   2.455  -4.221   9.713
  259   2HD1  ILE  32          1HD1      ILE  32   1.629  -5.711  10.200
  260   3HD1  ILE  32          2HD1      ILE  32   2.787  -4.971  11.300
  261    H    LEU  33           H        LEU  33   4.730  -5.745   5.323
  262    HA   LEU  33           HA       LEU  33   3.327  -7.967   4.100
  263   1HB   LEU  33          1HB       LEU  33   4.436  -5.379   2.923
  264   2HB   LEU  33          2HB       LEU  33   3.753  -6.649   1.928
  265    HG   LEU  33           HG       LEU  33   2.244  -5.018   4.014
  266   1HD1  LEU  33          3HD1      LEU  33   1.988  -5.289   0.988
  267   2HD1  LEU  33          1HD1      LEU  33   0.953  -4.312   2.035
  268   3HD1  LEU  33          2HD1      LEU  33   2.667  -3.906   1.875
  269   1HD2  LEU  33          3HD2      LEU  33   1.284  -7.397   2.353
  270   2HD2  LEU  33          1HD2      LEU  33   1.299  -7.267   4.130
  271   3HD2  LEU  33          2HD2      LEU  33   0.214  -6.249   3.191
  272    H    SER  34           H        SER  34   6.771  -6.674   3.884
  273    HA   SER  34           HA       SER  34   7.344  -8.503   1.773
  274   1HB   SER  34          1HB       SER  34   9.271  -7.127   3.680
  275   2HB   SER  34          2HB       SER  34   9.675  -7.882   2.121
  276    HG   SER  34           HG       SER  34   8.196  -5.588   2.696
  277    H    GLN  35           H        GLN  35   6.778  -9.378   5.040
  278    HA   GLN  35           HA       GLN  35   8.697 -11.577   5.139
  279   1HB   GLN  35          1HB       GLN  35   6.242 -10.756   6.704
  280   2HB   GLN  35          2HB       GLN  35   6.879 -12.390   6.894
  281   1HG   GLN  35          1HG       GLN  35   8.952 -11.664   7.738
  282   2HG   GLN  35          2HG       GLN  35   8.721 -10.007   7.171
  283   1HE2  GLN  35          2HE2      GLN  35   6.941  -8.883   9.989
  284   2HE2  GLN  35          1HE2      GLN  35   7.457  -8.605   8.324
  285    H    LEU  36           H        LEU  36   5.490 -11.134   3.638
  286    HA   LEU  36           HA       LEU  36   4.939 -13.958   3.681
  287   1HB   LEU  36          1HB       LEU  36   3.673 -11.539   2.331
  288   2HB   LEU  36          2HB       LEU  36   3.049 -13.162   2.106
  289    HG   LEU  36           HG       LEU  36   1.793 -11.931   3.732
  290   1HD1  LEU  36          1HD1      LEU  36   1.949 -14.406   3.955
  291   2HD1  LEU  36          2HD1      LEU  36   3.331 -14.226   5.059
  292   3HD1  LEU  36          3HD1      LEU  36   1.750 -13.640   5.542
  293   1HD2  LEU  36          2HD2      LEU  36   3.533 -10.503   4.677
  294   2HD2  LEU  36          3HD2      LEU  36   2.484 -11.247   5.888
  295   3HD2  LEU  36          1HD2      LEU  36   4.122 -11.873   5.648
  296    HA   PRO  37           HA       PRO  37   6.652 -14.900  -0.407
  297   1HB   PRO  37          1HB       PRO  37   5.425 -17.249  -0.966
  298   2HB   PRO  37          2HB       PRO  37   6.630 -17.111   0.348
  299   1HG   PRO  37          1HG       PRO  37   3.602 -17.029   0.600
  300   2HG   PRO  37          2HG       PRO  37   4.767 -18.003   1.551
  301   1HD   PRO  37          1HD       PRO  37   3.777 -15.585   2.412
  302   2HD   PRO  37          2HD       PRO  37   5.424 -16.149   2.825
  303    H    ILE  38           H        ILE  38   5.477 -12.857  -0.958
  304    HA   ILE  38           HA       ILE  38   2.877 -13.206  -2.403
  305    HB   ILE  38           HB       ILE  38   4.629 -10.874  -1.408
  306   1HG1  ILE  38          1HG1      ILE  38   1.605 -11.344  -1.207
  307   2HG1  ILE  38          2HG1      ILE  38   2.755 -12.002  -0.056
  308   1HG2  ILE  38          3HG2      ILE  38   2.397 -10.607  -3.504
  309   2HG2  ILE  38          1HG2      ILE  38   3.072  -9.258  -2.594
  310   3HG2  ILE  38          2HG2      ILE  38   4.101 -10.144  -3.689
  311   1HD1  ILE  38          1HD1      ILE  38   3.617  -9.654   0.363
  312   2HD1  ILE  38          2HD1      ILE  38   2.173  -9.072  -0.512
  313   3HD1  ILE  38          3HD1      ILE  38   2.009 -10.029   0.971
  314    H    LYS  39           H        LYS  39   2.876 -13.052  -4.687
  315    HA   LYS  39           HA       LYS  39   4.942 -13.941  -6.075
  316   1HB   LYS  39          1HB       LYS  39   2.510 -12.503  -6.817
  317   2HB   LYS  39          2HB       LYS  39   3.808 -12.404  -8.014
  318   1HG   LYS  39          1HG       LYS  39   3.228 -15.111  -6.838
  319   2HG   LYS  39          2HG       LYS  39   2.051 -14.451  -7.969
  320   1HD   LYS  39          1HD       LYS  39   5.012 -14.457  -8.603
  321   2HD   LYS  39          2HD       LYS  39   4.018 -15.894  -8.871
  322   1HE   LYS  39          1HE       LYS  39   2.722 -14.927 -10.528
  323   2HE   LYS  39          2HE       LYS  39   3.009 -13.276  -9.960
  324   1HZ   LYS  39          1HZ       LYS  39   5.230 -14.835 -11.084
  325   2HZ   LYS  39          2HZ       LYS  39   4.180 -13.998 -12.054
  326   3HZ   LYS  39          3HZ       LYS  39   5.066 -13.205 -10.943
  327    H    GLN  40           H        GLN  40   6.918 -13.239  -6.718
  328    HA   GLN  40           HA       GLN  40   7.878 -10.733  -5.768
  329   1HB   GLN  40          1HB       GLN  40   9.081 -13.012  -6.277
  330   2HB   GLN  40          2HB       GLN  40   9.291 -12.376  -7.903
  331   1HG   GLN  40          1HG       GLN  40  10.196 -10.990  -5.335
  332   2HG   GLN  40          2HG       GLN  40  11.216 -12.056  -6.297
  333   1HE2  GLN  40          2HE2      GLN  40  10.988  -8.171  -7.350
  334   2HE2  GLN  40          1HE2      GLN  40  10.502  -8.820  -5.794
  335    H    GLY  41           H        GLY  41   8.198  -8.783  -6.867
  336   1HA   GLY  41          1HA       GLY  41   8.203  -7.323  -8.706
  337   2HA   GLY  41          2HA       GLY  41   7.489  -8.567  -9.725
  338    H    LEU  42           H        LEU  42   5.534  -8.782  -6.925
  339    HA   LEU  42           HA       LEU  42   3.627  -6.877  -8.056
  340   1HB   LEU  42          1HB       LEU  42   3.307  -8.751  -5.726
  341   2HB   LEU  42          2HB       LEU  42   2.124  -7.752  -6.513
  342    HG   LEU  42           HG       LEU  42   3.370 -10.271  -7.575
  343   1HD1  LEU  42          3HD1      LEU  42   1.402 -10.289  -6.028
  344   2HD1  LEU  42          1HD1      LEU  42   0.514  -9.317  -7.231
  345   3HD1  LEU  42          2HD1      LEU  42   1.024 -10.958  -7.643
  346   1HD2  LEU  42          1HD2      LEU  42   1.699  -8.336  -9.171
  347   2HD2  LEU  42          2HD2      LEU  42   3.364  -8.848  -9.521
  348   3HD2  LEU  42          3HD2      LEU  42   2.024 -10.018  -9.617
  349    H    LEU  43           H        LEU  43   5.922  -7.051  -5.239
  350    HA   LEU  43           HA       LEU  43   4.147  -5.239  -3.759
  351   1HB   LEU  43          1HB       LEU  43   5.947  -7.172  -2.878
  352   2HB   LEU  43          2HB       LEU  43   6.796  -5.680  -2.572
  353    HG   LEU  43           HG       LEU  43   5.716  -6.034  -0.573
  354   1HD1  LEU  43          1HD1      LEU  43   5.051  -3.744  -1.458
  355   2HD1  LEU  43          2HD1      LEU  43   3.495  -4.419  -1.903
  356   3HD1  LEU  43          3HD1      LEU  43   3.992  -4.408  -0.203
  357   1HD2  LEU  43          3HD2      LEU  43   3.336  -7.056  -2.105
  358   2HD2  LEU  43          1HD2      LEU  43   4.453  -7.940  -1.066
  359   3HD2  LEU  43          2HD2      LEU  43   3.328  -6.780  -0.342
  360    H    GLU  44           H        GLU  44   4.188  -3.072  -4.373
  361    HA   GLU  44           HA       GLU  44   6.829  -1.946  -5.195
  362   1HB   GLU  44          1HB       GLU  44   5.200  -2.328  -7.075
  363   2HB   GLU  44          2HB       GLU  44   4.151  -1.106  -6.331
  364   1HG   GLU  44          1HG       GLU  44   6.076   0.514  -6.416
  365   2HG   GLU  44          2HG       GLU  44   7.054  -0.715  -7.218
  366    H    PHE  45           H        PHE  45   7.560  -0.576  -3.726
  367    HA   PHE  45           HA       PHE  45   5.704   0.709  -1.811
  368   1HB   PHE  45          1HB       PHE  45   8.729   0.330  -1.797
  369   2HB   PHE  45          2HB       PHE  45   7.807   1.047  -0.510
  370    HD1  PHE  45          1HD       PHE  45   5.817  -0.369   0.472
  371    HD2  PHE  45          2HD       PHE  45   9.134  -2.040  -1.702
  372    HE1  PHE  45          1HE       PHE  45   5.333  -2.610   1.448
  373    HE2  PHE  45          2HE       PHE  45   8.687  -4.255  -0.676
  374    HZ   PHE  45           HZ       PHE  45   6.789  -4.538   0.896
  375    H    VAL  46           H        VAL  46   4.883   2.555  -2.839
  376    HA   VAL  46           HA       VAL  46   6.533   4.067  -4.720
  377    HB   VAL  46           HB       VAL  46   3.607   4.212  -3.905
  378   1HG1  VAL  46          3HG1      VAL  46   4.452   6.414  -4.765
  379   2HG1  VAL  46          1HG1      VAL  46   5.037   5.599  -6.224
  380   3HG1  VAL  46          2HG1      VAL  46   3.301   5.675  -5.867
  381   1HG2  VAL  46          2HG2      VAL  46   4.238   2.119  -5.111
  382   2HG2  VAL  46          3HG2      VAL  46   3.131   3.142  -6.024
  383   3HG2  VAL  46          1HG2      VAL  46   4.859   3.101  -6.442
  384    H    ASP  47           H        ASP  47   7.860   5.445  -3.782
  385    HA   ASP  47           HA       ASP  47   7.480   6.738  -1.247
  386   1HB   ASP  47          1HB       ASP  47   9.614   6.018  -2.270
  387   2HB   ASP  47          2HB       ASP  47   9.474   7.315  -3.451
  388    H    ILE  48           H        ILE  48   5.868   8.188  -1.056
  389    HA   ILE  48           HA       ILE  48   4.996   9.955  -3.151
  390    HB   ILE  48           HB       ILE  48   3.534  10.927  -1.555
  391   1HG1  ILE  48          1HG1      ILE  48   4.681   9.353   0.774
  392   2HG1  ILE  48          2HG1      ILE  48   5.187  10.994   0.425
  393   1HG2  ILE  48          2HG2      ILE  48   3.086   8.595  -2.464
  394   2HG2  ILE  48          3HG2      ILE  48   3.680   7.929  -0.941
  395   3HG2  ILE  48          1HG2      ILE  48   2.233   8.947  -0.948
  396   1HD1  ILE  48          2HD1      ILE  48   2.832  11.769   0.604
  397   2HD1  ILE  48          3HD1      ILE  48   2.330  10.124   1.015
  398   3HD1  ILE  48          1HD1      ILE  48   3.424  11.010   2.095
  399    H    THR  49           H        THR  49   7.841  10.167  -1.271
  400    HA   THR  49           HA       THR  49   7.873  13.113  -1.612
  401    HB   THR  49           HB       THR  49   7.286  12.489   0.691
  402    HG1  THR  49           HG1      THR  49   9.731  13.776   0.191
  403   1HG2  THR  49          1HG2      THR  49  10.064  11.271   0.869
  404   2HG2  THR  49          2HG2      THR  49   8.976  11.616   2.232
  405   3HG2  THR  49          3HG2      THR  49   8.514  10.415   1.014
  406    H    ALA  50           H        ALA  50   9.066  10.520  -3.012
  407    HA   ALA  50           HA       ALA  50  11.857  10.715  -2.870
  408   1HB   ALA  50          2HB       ALA  50  10.048  10.006  -5.203
  409   2HB   ALA  50          3HB       ALA  50  11.818   9.801  -5.214
  410   3HB   ALA  50          1HB       ALA  50  10.844   8.906  -4.046
  411    H    THR  51           H        THR  51   9.694  13.094  -4.189
  412    HA   THR  51           HA       THR  51  11.935  14.780  -4.074
  413    HB   THR  51           HB       THR  51  11.596  13.855  -6.697
  414    HG1  THR  51           HG1      THR  51  13.387  14.898  -5.369
  415   1HG2  THR  51          2HG2      THR  51   9.778  15.569  -6.972
  416   2HG2  THR  51          3HG2      THR  51  10.946  16.821  -6.507
  417   3HG2  THR  51          1HG2      THR  51  11.206  15.854  -7.984
  418    H    ASN  52           H        ASN  52   8.442  14.552  -4.977
  419    HA   ASN  52           HA       ASN  52   7.726  16.387  -2.969
  420   1HB   ASN  52          1HB       ASN  52   8.646  17.725  -5.340
  421   2HB   ASN  52          2HB       ASN  52   6.912  17.874  -5.363
  422   1HD2  ASN  52          2HD2      ASN  52   9.108  19.488  -2.206
  423   2HD2  ASN  52          1HD2      ASN  52   9.720  18.157  -3.166
  424    H    HIS  53           H        HIS  53   5.260  17.316  -4.281
  425    HA   HIS  53           HA       HIS  53   3.186  16.727  -4.595
  426   1HB   HIS  53          1HB       HIS  53   4.396  14.452  -6.177
  427   2HB   HIS  53          2HB       HIS  53   2.671  14.603  -5.966
  428    HD1  HIS  53          1HD       HIS  53   4.099  14.894  -8.784
  429    HD2  HIS  53          2HD       HIS  53   2.481  17.883  -6.310
  430    HE1  HIS  53          1HE       HIS  53   3.635  16.902 -10.296
  431    H    THR  54           H        THR  54   4.935  15.021  -2.361
  432    HA   THR  54           HA       THR  54   3.228  13.117  -1.391
  433    HB   THR  54           HB       THR  54   4.868  13.155   0.006
  434    HG1  THR  54           HG1      THR  54   4.045  15.175   1.625
  435   1HG2  THR  54          1HG2      THR  54   5.183  16.112  -0.185
  436   2HG2  THR  54          2HG2      THR  54   6.186  15.025   0.822
  437   3HG2  THR  54          3HG2      THR  54   6.188  14.829  -0.937
  438    H    ASN  55           H        ASN  55   3.003  16.435  -0.398
  439    HA   ASN  55           HA       ASN  55   0.490  16.447   0.802
  440   1HB   ASN  55          1HB       ASN  55   1.731  18.648  -0.850
  441   2HB   ASN  55          2HB       ASN  55   0.108  18.822  -0.187
  442   1HD2  ASN  55          2HD2      ASN  55   2.863  19.922   2.239
  443   2HD2  ASN  55          1HD2      ASN  55   3.043  19.879   0.506
  444    H    GLU  56           H        GLU  56   0.823  17.032  -2.791
  445    HA   GLU  56           HA       GLU  56  -1.877  17.098  -3.396
  446   1HB   GLU  56          1HB       GLU  56   0.685  16.332  -4.865
  447   2HB   GLU  56          2HB       GLU  56  -0.854  15.967  -5.611
  448   1HG   GLU  56          1HG       GLU  56  -0.200  18.025  -6.486
  449   2HG   GLU  56          2HG       GLU  56  -1.553  18.342  -5.399
  450    H    ILE  57           H        ILE  57   0.305  14.300  -3.164
  451    HA   ILE  57           HA       ILE  57  -1.531  12.299  -4.116
  452    HB   ILE  57           HB       ILE  57   1.161  12.389  -2.682
  453   1HG1  ILE  57          1HG1      ILE  57   0.369  11.012  -5.296
  454   2HG1  ILE  57          2HG1      ILE  57   0.783  12.721  -5.223
  455   1HG2  ILE  57          3HG2      ILE  57  -0.558   9.926  -3.075
  456   2HG2  ILE  57          1HG2      ILE  57   1.202   9.838  -2.957
  457   3HG2  ILE  57          2HG2      ILE  57   0.269  10.486  -1.608
  458   1HD1  ILE  57          1HD1      ILE  57   3.002  12.110  -4.177
  459   2HD1  ILE  57          2HD1      ILE  57   2.640  10.413  -4.560
  460   3HD1  ILE  57          3HD1      ILE  57   2.775  11.617  -5.856
  461    H    GLN  58           H        GLN  58  -0.585  13.522  -0.956
  462    HA   GLN  58           HA       GLN  58  -1.831  11.605   0.737
  463   1HB   GLN  58          1HB       GLN  58  -0.728  14.461   0.943
  464   2HB   GLN  58          2HB       GLN  58  -1.691  13.841   2.247
  465   1HG   GLN  58          1HG       GLN  58   0.349  11.855   1.563
  466   2HG   GLN  58          2HG       GLN  58   1.070  13.417   1.793
  467   1HE2  GLN  58          2HE2      GLN  58  -0.232  11.464   5.096
  468   2HE2  GLN  58          1HE2      GLN  58  -0.785  10.848   3.553
  469    H    ASP  59           H        ASP  59  -2.775  14.850  -0.450
  470    HA   ASP  59           HA       ASP  59  -5.343  15.148   0.655
  471   1HB   ASP  59          1HB       ASP  59  -3.844  16.753  -0.763
  472   2HB   ASP  59          2HB       ASP  59  -4.562  16.051  -2.164
  473    H    TYR  60           H        TYR  60  -4.459  14.079  -2.570
  474    HA   TYR  60           HA       TYR  60  -7.028  13.208  -3.368
  475   1HB   TYR  60          1HB       TYR  60  -5.304  13.571  -5.001
  476   2HB   TYR  60          2HB       TYR  60  -4.300  12.296  -4.300
  477    HD1  TYR  60          1HD       TYR  60  -7.931  12.488  -5.391
  478    HD2  TYR  60          2HD       TYR  60  -4.144  10.431  -5.689
  479    HE1  TYR  60          1HE       TYR  60  -8.997  10.720  -6.758
  480    HE2  TYR  60          2HE       TYR  60  -5.188   8.718  -7.118
  481    HH   TYR  60           HH       TYR  60  -7.168   7.865  -7.892
  482    H    LEU  61           H        LEU  61  -4.509  11.294  -1.665
  483    HA   LEU  61           HA       LEU  61  -5.931   8.811  -1.741
  484   1HB   LEU  61          1HB       LEU  61  -3.813   9.955   0.099
  485   2HB   LEU  61          2HB       LEU  61  -4.545   8.404   0.454
  486    HG   LEU  61           HG       LEU  61  -3.260   8.976  -2.251
  487   1HD1  LEU  61          1HD1      LEU  61  -1.922   7.828   0.243
  488   2HD1  LEU  61          2HD1      LEU  61  -1.222   7.879  -1.394
  489   3HD1  LEU  61          3HD1      LEU  61  -1.567   9.380  -0.522
  490   1HD2  LEU  61          3HD2      LEU  61  -3.850   6.406  -0.728
  491   2HD2  LEU  61          1HD2      LEU  61  -4.761   7.023  -2.117
  492   3HD2  LEU  61          2HD2      LEU  61  -3.079   6.532  -2.334
  493    H    GLN  62           H        GLN  62  -6.306  11.681   0.361
  494    HA   GLN  62           HA       GLN  62  -7.988  10.373   2.272
  495   1HB   GLN  62          1HB       GLN  62  -6.915  12.785   2.328
  496   2HB   GLN  62          2HB       GLN  62  -8.375  13.268   1.477
  497   1HG   GLN  62          1HG       GLN  62  -9.723  12.127   3.305
  498   2HG   GLN  62          2HG       GLN  62  -8.211  11.855   4.167
  499   1HE2  GLN  62          2HE2      GLN  62 -10.151  15.041   5.213
  500   2HE2  GLN  62          1HE2      GLN  62 -10.768  13.529   4.590
  501    H    GLN  63           H        GLN  63  -8.613  11.871  -0.905
  502    HA   GLN  63           HA       GLN  63 -11.484  11.389  -0.676
  503   1HB   GLN  63          1HB       GLN  63  -9.957  13.080  -2.250
  504   2HB   GLN  63          2HB       GLN  63 -10.385  11.809  -3.392
  505   1HG   GLN  63          1HG       GLN  63 -12.107  13.441  -3.541
  506   2HG   GLN  63          2HG       GLN  63 -12.818  12.111  -2.629
  507   1HE2  GLN  63          2HE2      GLN  63 -13.455  15.561  -1.021
  508   2HE2  GLN  63          1HE2      GLN  63 -13.568  15.030  -2.683
  509    H    LEU  64           H        LEU  64  -8.873   9.833  -2.543
  510    HA   LEU  64           HA       LEU  64 -10.577   7.931  -3.803
  511   1HB   LEU  64          1HB       LEU  64  -8.579   8.438  -4.913
  512   2HB   LEU  64          2HB       LEU  64  -7.619   8.310  -3.449
  513    HG   LEU  64           HG       LEU  64  -7.913   5.797  -3.500
  514   1HD1  LEU  64          1HD1      LEU  64  -9.908   5.740  -5.045
  515   2HD1  LEU  64          2HD1      LEU  64  -8.895   6.382  -6.344
  516   3HD1  LEU  64          3HD1      LEU  64  -8.560   4.777  -5.647
  517   1HD2  LEU  64          1HD2      LEU  64  -5.861   6.927  -4.257
  518   2HD2  LEU  64          2HD2      LEU  64  -6.205   5.471  -5.210
  519   3HD2  LEU  64          3HD2      LEU  64  -6.544   7.063  -5.888
  520    H    THR  65           H        THR  65  -9.078   7.876  -0.593
  521    HA   THR  65           HA       THR  65 -10.098   5.085  -0.272
  522    HB   THR  65           HB       THR  65  -8.403   4.580   1.262
  523    HG1  THR  65           HG1      THR  65  -7.390   7.228   1.029
  524   1HG2  THR  65          1HG2      THR  65  -7.776   4.452  -1.129
  525   2HG2  THR  65          2HG2      THR  65  -7.014   6.057  -0.999
  526   3HG2  THR  65          3HG2      THR  65  -6.390   4.701  -0.045
  527    H    GLY  66           H        GLY  66  -9.257   7.791   1.885
  528   1HA   GLY  66          1HA       GLY  66 -11.704   8.785   2.617
  529   2HA   GLY  66          2HA       GLY  66 -11.544   7.317   3.592
  530    H    ALA  67           H        ALA  67  -8.477   7.673   3.568
  531    HA   ALA  67           HA       ALA  67  -8.216  10.050   5.298
  532   1HB   ALA  67          2HB       ALA  67  -7.430   7.212   5.940
  533   2HB   ALA  67          3HB       ALA  67  -6.775   8.622   6.804
  534   3HB   ALA  67          1HB       ALA  67  -8.522   8.264   6.852
  535    H    ARG  68           H        ARG  68  -6.175  10.933   5.237
  536    HA   ARG  68           HA       ARG  68  -4.732  10.421   2.689
  537   1HB   ARG  68          1HB       ARG  68  -3.294  12.304   3.330
  538   2HB   ARG  68          2HB       ARG  68  -4.977  12.748   3.289
  539   1HG   ARG  68          1HG       ARG  68  -4.064  11.948   6.009
  540   2HG   ARG  68          2HG       ARG  68  -3.140  13.275   5.309
  541   1HD   ARG  68          1HD       ARG  68  -5.275  14.456   4.769
  542   2HD   ARG  68          2HD       ARG  68  -6.178  13.157   5.558
  543    HE   ARG  68           HE       ARG  68  -4.235  14.103   7.375
  544   1HH1  ARG  68          2HH2      ARG  68  -7.147  15.388   5.722
  545   2HH1  ARG  68          1HH2      ARG  68  -7.391  16.629   6.928
  546   1HH2  ARG  68          2HH1      ARG  68  -4.855  15.519   9.085
  547   2HH2  ARG  68          1HH1      ARG  68  -6.131  16.656   8.868
  548    H    THR  69           H        THR  69  -4.420   9.403   6.015
  549    HA   THR  69           HA       THR  69  -1.724   9.863   6.303
  550    HB   THR  69           HB       THR  69  -1.907   8.291   8.246
  551    HG1  THR  69           HG1      THR  69  -3.590   7.069   8.488
  552   1HG2  THR  69          3HG2      THR  69  -2.537  10.696   8.416
  553   2HG2  THR  69          1HG2      THR  69  -4.207  10.300   7.946
  554   3HG2  THR  69          2HG2      THR  69  -3.545   9.685   9.461
  555    H    VAL  70           H        VAL  70   0.126   8.801   5.887
  556    HA   VAL  70           HA       VAL  70  -0.046   6.414   4.184
  557    HB   VAL  70           HB       VAL  70   2.570   6.831   4.273
  558   1HG1  VAL  70          3HG1      VAL  70   1.086   7.009   2.287
  559   2HG1  VAL  70          1HG1      VAL  70   0.711   8.686   2.733
  560   3HG1  VAL  70          2HG1      VAL  70   2.375   8.212   2.299
  561   1HG2  VAL  70          1HG2      VAL  70   2.448   8.658   6.021
  562   2HG2  VAL  70          2HG2      VAL  70   3.209   9.154   4.499
  563   3HG2  VAL  70          3HG2      VAL  70   1.564   9.664   4.849
  564    HA   PRO  71           HA       PRO  71   1.793   4.633   3.777
  565   1HB   PRO  71          1HB       PRO  71   1.436   1.923   4.044
  566   2HB   PRO  71          2HB       PRO  71   2.907   2.766   4.606
  567   1HG   PRO  71          1HG       PRO  71   0.486   1.977   6.234
  568   2HG   PRO  71          2HG       PRO  71   2.213   1.694   6.618
  569   1HD   PRO  71          1HD       PRO  71   0.833   3.796   7.653
  570   2HD   PRO  71          2HD       PRO  71   2.551   3.960   7.177
  571    H    ARG  72           H        ARG  72   0.435   3.586   2.073
  572    HA   ARG  72           HA       ARG  72  -2.362   2.900   2.865
  573   1HB   ARG  72          1HB       ARG  72  -1.528   4.769   0.599
  574   2HB   ARG  72          2HB       ARG  72  -3.077   3.929   0.611
  575   1HG   ARG  72          1HG       ARG  72  -2.202   5.723   2.881
  576   2HG   ARG  72          2HG       ARG  72  -3.046   6.350   1.478
  577   1HD   ARG  72          1HD       ARG  72  -5.063   5.422   2.011
  578   2HD   ARG  72          2HD       ARG  72  -4.332   3.990   2.772
  579    HE   ARG  72           HE       ARG  72  -3.581   6.066   4.376
  580   1HH1  ARG  72          2HH2      ARG  72  -6.785   4.931   3.386
  581   2HH1  ARG  72          1HH2      ARG  72  -7.448   4.894   4.979
  582   1HH2  ARG  72          2HH1      ARG  72  -4.441   6.281   6.412
  583   2HH2  ARG  72          1HH1      ARG  72  -6.002   5.650   6.808
  584    H    VAL  73           H        VAL  73  -2.076   0.715   2.666
  585    HA   VAL  73           HA       VAL  73  -0.625  -0.420   0.380
  586    HB   VAL  73           HB       VAL  73  -2.244  -1.602   2.679
  587   1HG1  VAL  73          2HG1      VAL  73  -0.847  -3.057   0.379
  588   2HG1  VAL  73          3HG1      VAL  73  -1.494  -3.835   1.847
  589   3HG1  VAL  73          1HG1      VAL  73  -2.586  -3.066   0.709
  590   1HG2  VAL  73          3HG2      VAL  73   0.709  -1.618   1.947
  591   2HG2  VAL  73          1HG2      VAL  73  -0.041  -0.833   3.364
  592   3HG2  VAL  73          2HG2      VAL  73   0.037  -2.594   3.193
  593    H    PHE  74           H        PHE  74  -1.559  -0.802  -1.547
  594    HA   PHE  74           HA       PHE  74  -4.488  -1.133  -1.736
  595   1HB   PHE  74          1HB       PHE  74  -2.572   0.110  -3.720
  596   2HB   PHE  74          2HB       PHE  74  -4.091  -0.619  -4.185
  597    HD1  PHE  74          1HD       PHE  74  -3.064   1.854  -1.493
  598    HD2  PHE  74          2HD       PHE  74  -5.742   0.898  -4.741
  599    HE1  PHE  74          1HE       PHE  74  -4.130   4.083  -1.296
  600    HE2  PHE  74          2HE       PHE  74  -6.797   3.116  -4.511
  601    HZ   PHE  74           HZ       PHE  74  -5.957   4.725  -2.823
  602    H    ILE  75           H        ILE  75  -4.701  -3.304  -1.711
  603    HA   ILE  75           HA       ILE  75  -2.774  -5.015  -3.213
  604    HB   ILE  75           HB       ILE  75  -4.565  -5.468  -0.897
  605   1HG1  ILE  75          1HG1      ILE  75  -3.022  -7.473  -0.620
  606   2HG1  ILE  75          2HG1      ILE  75  -2.108  -6.833  -2.000
  607   1HG2  ILE  75          2HG2      ILE  75  -5.783  -6.835  -2.681
  608   2HG2  ILE  75          3HG2      ILE  75  -4.256  -7.673  -2.991
  609   3HG2  ILE  75          1HG2      ILE  75  -5.048  -7.819  -1.418
  610   1HD1  ILE  75          2HD1      ILE  75  -1.697  -4.812  -0.689
  611   2HD1  ILE  75          3HD1      ILE  75  -2.602  -5.531   0.674
  612   3HD1  ILE  75          1HD1      ILE  75  -1.087  -6.277   0.118
  613    H    GLY  76           H        GLY  76  -3.247  -5.010  -5.333
  614   1HA   GLY  76          1HA       GLY  76  -4.387  -4.997  -7.302
  615   2HA   GLY  76          2HA       GLY  76  -5.561  -6.023  -6.478
  616    H    LYS  77           H        LYS  77  -4.668  -2.608  -6.909
  617    HA   LYS  77           HA       LYS  77  -5.748  -0.701  -6.816
  618   1HB   LYS  77          1HB       LYS  77  -6.550  -2.182  -8.979
  619   2HB   LYS  77          2HB       LYS  77  -8.103  -1.824  -8.226
  620   1HG   LYS  77          1HG       LYS  77  -7.043   0.625  -8.031
  621   2HG   LYS  77          2HG       LYS  77  -5.968   0.040  -9.310
  622   1HD   LYS  77          1HD       LYS  77  -7.874  -0.396 -10.776
  623   2HD   LYS  77          2HD       LYS  77  -9.009  -0.143  -9.432
  624   1HE   LYS  77          1HE       LYS  77  -8.285   2.212  -9.238
  625   2HE   LYS  77          2HE       LYS  77  -7.261   2.003 -10.678
  626   1HZ   LYS  77          2HZ       LYS  77 -10.198   1.582 -10.607
  627   2HZ   LYS  77          3HZ       LYS  77  -9.457   2.941 -11.181
  628   3HZ   LYS  77          1HZ       LYS  77  -9.246   1.493 -11.933
  629    H    ASP  78           H        ASP  78  -6.684  -2.579  -4.450
  630    HA   ASP  78           HA       ASP  78  -8.651  -0.466  -3.692
  631   1HB   ASP  78          1HB       ASP  78  -9.942  -2.516  -4.091
  632   2HB   ASP  78          2HB       ASP  78  -8.912  -3.369  -2.933
  633    H    CYS  79           H        CYS  79  -8.221   0.522  -1.851
  634    HA   CYS  79           HA       CYS  79  -5.762  -0.050  -0.513
  635   1HB   CYS  79          1HB       CYS  79  -6.672   2.247  -0.928
  636   2HB   CYS  79          2HB       CYS  79  -7.892   1.940   0.327
  637    HG   CYS  79           HG       CYS  79  -4.731   1.216   0.855
  638    H    ILE  80           H        ILE  80  -5.540  -1.636   1.163
  639    HA   ILE  80           HA       ILE  80  -8.002  -2.653   2.343
  640    HB   ILE  80           HB       ILE  80  -6.748  -4.449   3.024
  641   1HG1  ILE  80          1HG1      ILE  80  -4.241  -4.667   2.529
  642   2HG1  ILE  80          2HG1      ILE  80  -4.198  -2.901   2.501
  643   1HG2  ILE  80          2HG2      ILE  80  -7.239  -4.253   0.575
  644   2HG2  ILE  80          3HG2      ILE  80  -5.555  -3.762   0.327
  645   3HG2  ILE  80          1HG2      ILE  80  -5.932  -5.369   0.995
  646   1HD1  ILE  80          3HD1      ILE  80  -5.411  -4.368   4.867
  647   2HD1  ILE  80          1HD1      ILE  80  -3.662  -4.252   4.701
  648   3HD1  ILE  80          2HD1      ILE  80  -4.634  -2.772   4.815
  649    H    GLY  81           H        GLY  81  -5.893  -0.109   3.046
  650   1HA   GLY  81          1HA       GLY  81  -6.795   1.138   5.077
  651   2HA   GLY  81          2HA       GLY  81  -6.271  -0.302   5.973
  652    H    GLY  82           H        GLY  82  -5.038   1.697   6.899
  653   1HA   GLY  82          1HA       GLY  82  -2.604   2.345   5.429
  654   2HA   GLY  82          2HA       GLY  82  -3.107   3.009   6.992
  655    H    CYS  83           H        CYS  83  -2.675   1.734   8.927
  656    HA   CYS  83           HA       CYS  83  -0.849  -0.552   8.516
  657   1HB   CYS  83          1HB       CYS  83   0.343   1.768   8.962
  658   2HB   CYS  83          2HB       CYS  83  -0.056   1.384  10.652
  659    HG   CYS  83           HG       CYS  83   0.820  -1.173  10.386
  660    H    SER  84           H        SER  84  -2.566   1.330  11.118
  661    HA   SER  84           HA       SER  84  -2.525  -0.837  12.969
  662   1HB   SER  84          1HB       SER  84  -4.426   1.530  12.723
  663   2HB   SER  84          2HB       SER  84  -4.171   0.550  14.178
  664    HG   SER  84           HG       SER  84  -2.967   2.636  13.899
  665    H    ASP  85           H        ASP  85  -4.751   0.049  10.386
  666    HA   ASP  85           HA       ASP  85  -6.817  -1.936  10.784
  667   1HB   ASP  85          1HB       ASP  85  -5.773  -0.373   8.377
  668   2HB   ASP  85          2HB       ASP  85  -7.024  -1.594   8.209
  669    H    LEU  86           H        LEU  86  -4.143  -1.733   8.507
  670    HA   LEU  86           HA       LEU  86  -4.174  -4.211   7.332
  671   1HB   LEU  86          1HB       LEU  86  -2.944  -2.479   6.388
  672   2HB   LEU  86          2HB       LEU  86  -2.104  -2.101   7.851
  673    HG   LEU  86           HG       LEU  86  -1.467  -4.810   6.749
  674   1HD1  LEU  86          2HD1      LEU  86  -0.544  -2.247   5.427
  675   2HD1  LEU  86          3HD1      LEU  86   0.058  -3.893   5.087
  676   3HD1  LEU  86          1HD1      LEU  86  -1.610  -3.460   4.691
  677   1HD2  LEU  86          2HD2      LEU  86   0.178  -2.456   7.813
  678   2HD2  LEU  86          3HD2      LEU  86  -0.236  -3.936   8.707
  679   3HD2  LEU  86          1HD2      LEU  86   0.847  -4.002   7.307
  680    H    VAL  87           H        VAL  87  -2.535  -3.444  10.519
  681    HA   VAL  87           HA       VAL  87  -1.136  -5.839  10.717
  682    HB   VAL  87           HB       VAL  87  -2.270  -3.761  12.609
  683   1HG1  VAL  87          1HG1      VAL  87  -0.581  -6.175  13.345
  684   2HG1  VAL  87          2HG1      VAL  87  -0.880  -4.746  14.388
  685   3HG1  VAL  87          3HG1      VAL  87  -2.225  -5.802  13.914
  686   1HG2  VAL  87          3HG2      VAL  87  -0.197  -3.330  11.082
  687   2HG2  VAL  87          1HG2      VAL  87   0.004  -3.030  12.817
  688   3HG2  VAL  87          2HG2      VAL  87   0.632  -4.519  12.087
  689    H    SER  88           H        SER  88  -4.659  -5.168  11.330
  690    HA   SER  88           HA       SER  88  -5.083  -7.667  12.770
  691   1HB   SER  88          1HB       SER  88  -6.842  -5.630  11.396
  692   2HB   SER  88          2HB       SER  88  -7.394  -7.281  11.267
  693    HG   SER  88           HG       SER  88  -7.118  -7.589  13.462
  694    H    LEU  89           H        LEU  89  -5.414  -6.533   9.417
  695    HA   LEU  89           HA       LEU  89  -6.431  -8.957   8.378
  696   1HB   LEU  89          1HB       LEU  89  -4.989  -6.617   7.042
  697   2HB   LEU  89          2HB       LEU  89  -5.572  -8.013   6.177
  698    HG   LEU  89           HG       LEU  89  -7.876  -7.461   7.414
  699   1HD1  LEU  89          2HD1      LEU  89  -6.550  -4.734   7.078
  700   2HD1  LEU  89          3HD1      LEU  89  -8.276  -5.021   7.363
  701   3HD1  LEU  89          1HD1      LEU  89  -7.110  -5.473   8.602
  702   1HD2  LEU  89          1HD2      LEU  89  -7.523  -7.762   4.992
  703   2HD2  LEU  89          2HD2      LEU  89  -8.579  -6.401   5.345
  704   3HD2  LEU  89          3HD2      LEU  89  -6.895  -6.102   4.876
  705    H    GLN  90           H        GLN  90  -3.067  -7.818   8.899
  706    HA   GLN  90           HA       GLN  90  -1.806 -10.138   7.773
  707   1HB   GLN  90          1HB       GLN  90  -0.592  -8.023   8.322
  708   2HB   GLN  90          2HB       GLN  90  -0.904  -8.312  10.028
  709   1HG   GLN  90          1HG       GLN  90   0.323 -10.651   9.532
  710   2HG   GLN  90          2HG       GLN  90   0.957  -9.771   8.145
  711   1HE2  GLN  90          2HE2      GLN  90   3.538  -9.271  10.660
  712   2HE2  GLN  90          1HE2      GLN  90   3.041 -10.371   9.391
  713    H    GLN  91           H        GLN  91  -2.460  -9.330  11.330
  714    HA   GLN  91           HA       GLN  91  -1.519 -11.602  12.371
  715   1HB   GLN  91          1HB       GLN  91  -2.807  -9.268  13.218
  716   2HB   GLN  91          2HB       GLN  91  -3.913 -10.487  13.765
  717   1HG   GLN  91          1HG       GLN  91  -0.926 -10.699  14.311
  718   2HG   GLN  91          2HG       GLN  91  -1.952  -9.577  15.176
  719   1HE2  GLN  91          2HE2      GLN  91  -2.833 -13.639  15.706
  720   2HE2  GLN  91          1HE2      GLN  91  -2.426 -13.101  14.122
  721    H    SER  92           H        SER  92  -4.939 -10.990  11.524
  722    HA   SER  92           HA       SER  92  -5.825 -13.649  12.237
  723   1HB   SER  92          1HB       SER  92  -7.189 -11.559  12.365
  724   2HB   SER  92          2HB       SER  92  -7.136 -11.434  10.601
  725    HG   SER  92           HG       SER  92  -9.013 -12.365  11.274
  726    H    GLY  93           H        GLY  93  -4.780 -11.990   9.224
  727   1HA   GLY  93          1HA       GLY  93  -3.827 -13.225   7.442
  728   2HA   GLY  93          2HA       GLY  93  -4.883 -14.596   7.785
  729    H    GLU  94           H        GLU  94  -6.657 -11.502   7.941
  730    HA   GLU  94           HA       GLU  94  -8.174 -12.360   5.664
  731   1HB   GLU  94          1HB       GLU  94  -9.004 -11.050   7.600
  732   2HB   GLU  94          2HB       GLU  94  -8.068  -9.659   7.041
  733   1HG   GLU  94          1HG       GLU  94  -9.389  -9.609   4.940
  734   2HG   GLU  94          2HG       GLU  94 -10.293 -11.035   5.473
  735    H    LEU  95           H        LEU  95  -5.319 -10.420   6.094
  736    HA   LEU  95           HA       LEU  95  -5.276  -9.029   3.551
  737   1HB   LEU  95          1HB       LEU  95  -3.675  -8.994   5.855
  738   2HB   LEU  95          2HB       LEU  95  -2.624  -9.768   4.737
  739    HG   LEU  95           HG       LEU  95  -4.055  -7.124   4.295
  740   1HD1  LEU  95          3HD1      LEU  95  -2.457  -6.992   6.161
  741   2HD1  LEU  95          1HD1      LEU  95  -1.178  -7.692   5.149
  742   3HD1  LEU  95          2HD1      LEU  95  -1.847  -6.090   4.768
  743   1HD2  LEU  95          2HD2      LEU  95  -1.790  -8.420   2.738
  744   2HD2  LEU  95          3HD2      LEU  95  -3.439  -8.089   2.145
  745   3HD2  LEU  95          1HD2      LEU  95  -2.344  -6.753   2.523
  746    H    LEU  96           H        LEU  96  -4.196 -12.174   4.754
  747    HA   LEU  96           HA       LEU  96  -2.542 -12.853   2.461
  748   1HB   LEU  96          1HB       LEU  96  -3.840 -14.666   4.522
  749   2HB   LEU  96          2HB       LEU  96  -2.717 -15.166   3.298
  750    HG   LEU  96           HG       LEU  96  -2.233 -14.081   5.949
  751   1HD1  LEU  96          1HD1      LEU  96  -1.374 -16.198   4.962
  752   2HD1  LEU  96          2HD1      LEU  96  -0.344 -15.254   3.867
  753   3HD1  LEU  96          3HD1      LEU  96  -0.089 -15.186   5.633
  754   1HD2  LEU  96          2HD2      LEU  96  -0.560 -12.741   3.787
  755   2HD2  LEU  96          3HD2      LEU  96  -1.669 -11.922   4.917
  756   3HD2  LEU  96          1HD2      LEU  96  -0.257 -12.723   5.541
  757    H    THR  97           H        THR  97  -5.922 -13.510   3.459
  758    HA   THR  97           HA       THR  97  -6.708 -14.988   1.148
  759    HB   THR  97           HB       THR  97  -8.284 -13.073   2.928
  760    HG1  THR  97           HG1      THR  97  -7.126 -15.448   3.470
  761   1HG2  THR  97          2HG2      THR  97  -9.209 -15.342   1.124
  762   2HG2  THR  97          3HG2      THR  97 -10.222 -14.536   2.346
  763   3HG2  THR  97          1HG2      THR  97  -9.582 -13.628   0.975
  764    H    ARG  98           H        ARG  98  -7.033 -11.429   1.859
  765    HA   ARG  98           HA       ARG  98  -8.038 -10.886  -0.718
  766   1HB   ARG  98          1HB       ARG  98  -7.964  -9.539   1.613
  767   2HB   ARG  98          2HB       ARG  98  -6.669  -8.683   0.799
  768   1HG   ARG  98          1HG       ARG  98  -9.247  -9.168  -0.736
  769   2HG   ARG  98          2HG       ARG  98  -9.320  -8.052   0.618
  770   1HD   ARG  98          1HD       ARG  98  -7.612  -6.654  -0.308
  771   2HD   ARG  98          2HD       ARG  98  -7.208  -7.835  -1.536
  772    HE   ARG  98           HE       ARG  98  -9.024  -7.200  -2.827
  773   1HH1  ARG  98          2HH2      ARG  98  -9.250  -5.488   0.335
  774   2HH1  ARG  98          1HH2      ARG  98 -10.295  -4.272  -0.381
  775   1HH2  ARG  98          2HH1      ARG  98 -10.666  -5.683  -3.515
  776   2HH2  ARG  98          1HH1      ARG  98 -11.134  -4.452  -2.371
  777    H    LEU  99           H        LEU  99  -4.666 -10.870   0.395
  778    HA   LEU  99           HA       LEU  99  -3.435  -9.967  -2.009
  779   1HB   LEU  99          1HB       LEU  99  -2.688 -11.903   0.238
  780   2HB   LEU  99          2HB       LEU  99  -1.643 -11.788  -1.151
  781    HG   LEU  99           HG       LEU  99  -2.378  -9.334   0.452
  782   1HD1  LEU  99          3HD1      LEU  99  -0.026 -11.233   0.838
  783   2HD1  LEU  99          1HD1      LEU  99  -0.182  -9.631   1.591
  784   3HD1  LEU  99          2HD1      LEU  99  -1.331 -10.908   1.997
  785   1HD2  LEU  99          3HD2      LEU  99  -1.452  -8.993  -1.839
  786   2HD2  LEU  99          1HD2      LEU  99  -0.322  -8.448  -0.585
  787   3HD2  LEU  99          2HD2      LEU  99  -0.064  -9.986  -1.427
  788    H    LYS 100           H        LYS 100  -4.390 -13.330  -1.003
  789    HA   LYS 100           HA       LYS 100  -3.457 -14.292  -3.541
  790   1HB   LYS 100          1HB       LYS 100  -4.524 -15.477  -1.161
  791   2HB   LYS 100          2HB       LYS 100  -5.543 -16.023  -2.494
  792   1HG   LYS 100          1HG       LYS 100  -3.411 -16.482  -3.819
  793   2HG   LYS 100          2HG       LYS 100  -2.493 -16.074  -2.400
  794   1HD   LYS 100          1HD       LYS 100  -3.113 -18.012  -1.233
  795   2HD   LYS 100          2HD       LYS 100  -4.663 -18.176  -2.063
  796   1HE   LYS 100          1HE       LYS 100  -2.005 -18.617  -3.473
  797   2HE   LYS 100          2HE       LYS 100  -2.865 -19.910  -2.630
  798   1HZ   LYS 100          1HZ       LYS 100  -4.091 -18.339  -4.829
  799   2HZ   LYS 100          2HZ       LYS 100  -3.356 -19.810  -4.988
  800   3HZ   LYS 100          3HZ       LYS 100  -4.700 -19.677  -4.087
  801    H    GLN 101           H        GLN 101  -6.520 -12.882  -2.586
  802    HA   GLN 101           HA       GLN 101  -7.966 -13.629  -4.849
  803   1HB   GLN 101          1HB       GLN 101  -8.661 -12.141  -2.782
  804   2HB   GLN 101          2HB       GLN 101  -8.160 -10.788  -3.805
  805   1HG   GLN 101          1HG       GLN 101 -10.537 -11.118  -4.045
  806   2HG   GLN 101          2HG       GLN 101  -9.776 -11.584  -5.568
  807   1HE2  GLN 101          2HE2      GLN 101 -10.725 -15.030  -5.218
  808   2HE2  GLN 101          1HE2      GLN 101  -9.942 -13.834  -6.247
  809    H    ILE 102           H        ILE 102  -5.256 -11.269  -4.674
  810    HA   ILE 102           HA       ILE 102  -5.719 -10.535  -7.495
  811    HB   ILE 102           HB       ILE 102  -4.303  -8.762  -7.207
  812   1HG1  ILE 102          1HG1      ILE 102  -3.228  -8.996  -4.491
  813   2HG1  ILE 102          2HG1      ILE 102  -2.805 -10.390  -5.419
  814   1HG2  ILE 102          3HG2      ILE 102  -6.397  -8.498  -5.906
  815   2HG2  ILE 102          1HG2      ILE 102  -5.569  -9.107  -4.453
  816   3HG2  ILE 102          2HG2      ILE 102  -5.034  -7.604  -5.186
  817   1HD1  ILE 102          3HD1      ILE 102  -1.903  -8.955  -7.224
  818   2HD1  ILE 102          1HD1      ILE 102  -2.294  -7.522  -6.235
  819   3HD1  ILE 102          2HD1      ILE 102  -1.099  -8.718  -5.674
  820    H    GLY 103           H        GLY 103  -4.531 -13.274  -6.323
  821   1HA   GLY 103          1HA       GLY 103  -3.153 -14.845  -7.268
  822   2HA   GLY 103          2HA       GLY 103  -2.815 -13.721  -8.592
  823    H    ALA 104           H        ALA 104  -2.189 -13.001  -5.151
  824    HA   ALA 104           HA       ALA 104   0.643 -12.365  -5.678
  825   1HB   ALA 104          1HB       ALA 104  -1.177 -12.556  -3.187
  826   2HB   ALA 104          2HB       ALA 104   0.463 -11.913  -3.167
  827   3HB   ALA 104          3HB       ALA 104  -0.831 -11.063  -4.074
  828    H    LEU 105           H        LEU 105  -0.903 -14.610  -3.137
  829    HA   LEU 105           HA       LEU 105   1.708 -15.566  -2.772
  830   1HB   LEU 105          1HB       LEU 105  -0.651 -17.081  -1.773
  831   2HB   LEU 105          2HB       LEU 105   0.901 -16.802  -1.091
  832    HG   LEU 105           HG       LEU 105  -1.188 -14.618  -1.182
  833   1HD1  LEU 105          1HD1      LEU 105  -1.875 -16.442   0.317
  834   2HD1  LEU 105          2HD1      LEU 105  -0.306 -16.371   1.146
  835   3HD1  LEU 105          3HD1      LEU 105  -1.427 -14.991   1.226
  836   1HD2  LEU 105          1HD2      LEU 105   1.517 -14.793   0.218
  837   2HD2  LEU 105          2HD2      LEU 105   1.097 -13.737  -1.139
  838   3HD2  LEU 105          3HD2      LEU 105   0.325 -13.492   0.437
  839    H    GLN 106           H        GLN 106   2.638 -17.342  -3.412
  840    HA   GLN 106           HA       GLN 106   1.367 -19.207  -5.303
  841   1HB   GLN 106          2HB       GLN 106   2.287 -17.382  -6.688
  842   2HB   GLN 106          3HB       GLN 106   3.851 -17.512  -5.871
  843   1HG   GLN 106          2HG       GLN 106   4.173 -19.786  -6.733
  844   2HG   GLN 106          3HG       GLN 106   2.531 -19.800  -7.376
  845   1HE2  GLN 106          2HE2      GLN 106   3.349 -18.061 -10.380
  846   2HE2  GLN 106          1HE2      GLN 106   2.059 -18.656  -9.333
   
  No H/Q in entry =         846
  Start of MODEL    3
    1   1H    ALA   2          2H        ALA   2  -1.343  15.997  -8.760
    2   2H    ALA   2          3H        ALA   2   0.231  16.303  -8.418
    3   3H    ALA   2          1H        ALA   2  -0.203  15.759  -9.904
    4    HA   ALA   2           HA       ALA   2   0.757  13.965  -8.747
    5   1HB   ALA   2          1HB       ALA   2  -1.259  14.592  -6.559
    6   2HB   ALA   2          2HB       ALA   2  -0.277  13.115  -6.655
    7   3HB   ALA   2          3HB       ALA   2   0.518  14.685  -6.468
    8    H    GLN   3           H        GLN   3  -2.665  13.702  -7.738
    9    HA   GLN   3           HA       GLN   3  -4.048  11.979  -8.113
   10   1HB   GLN   3          1HB       GLN   3  -5.196  12.234 -10.390
   11   2HB   GLN   3          2HB       GLN   3  -5.251  13.544  -9.223
   12   1HG   GLN   3          1HG       GLN   3  -3.464  14.757 -10.413
   13   2HG   GLN   3          2HG       GLN   3  -3.324  13.445 -11.586
   14   1HE2  GLN   3          2HE2      GLN   3  -5.336  15.654 -13.532
   15   2HE2  GLN   3          1HE2      GLN   3  -3.750  14.939 -13.272
   16    H    GLU   4           H        GLU   4  -3.033  11.783 -11.444
   17    HA   GLU   4           HA       GLU   4  -3.030   9.207 -12.039
   18   1HB   GLU   4          1HB       GLU   4  -2.237  11.531 -13.224
   19   2HB   GLU   4          2HB       GLU   4  -0.666  10.808 -12.933
   20   1HG   GLU   4          1HG       GLU   4  -1.113  10.014 -15.018
   21   2HG   GLU   4          2HG       GLU   4  -1.748   8.667 -14.074
   22    H    PHE   5           H        PHE   5  -0.270  10.829 -10.428
   23    HA   PHE   5           HA       PHE   5   1.617   8.764 -10.431
   24   1HB   PHE   5          1HB       PHE   5   2.064  11.063  -9.688
   25   2HB   PHE   5          2HB       PHE   5   1.050  10.840  -8.271
   26    HD1  PHE   5          1HD       PHE   5   1.797   9.241  -6.423
   27    HD2  PHE   5          2HD       PHE   5   4.376  10.376  -9.691
   28    HE1  PHE   5          1HE       PHE   5   3.775   8.543  -5.113
   29    HE2  PHE   5          2HE       PHE   5   6.344   9.664  -8.374
   30    HZ   PHE   5           HZ       PHE   5   6.056   8.749  -6.077
   31    H    VAL   6           H        VAL   6  -1.123   9.217  -8.171
   32    HA   VAL   6           HA       VAL   6  -0.535   6.672  -6.808
   33    HB   VAL   6           HB       VAL   6  -2.621   8.865  -6.533
   34   1HG1  VAL   6          2HG1      VAL   6  -2.691   6.217  -5.065
   35   2HG1  VAL   6          3HG1      VAL   6  -3.661   7.639  -4.673
   36   3HG1  VAL   6          1HG1      VAL   6  -3.894   6.798  -6.211
   37   1HG2  VAL   6          1HG2      VAL   6  -0.432   9.226  -5.439
   38   2HG2  VAL   6          2HG2      VAL   6  -1.736   9.030  -4.255
   39   3HG2  VAL   6          3HG2      VAL   6  -0.613   7.692  -4.566
   40    H    ASN   7           H        ASN   7  -2.982   8.217  -8.843
   41    HA   ASN   7           HA       ASN   7  -4.805   6.190  -8.709
   42   1HB   ASN   7          1HB       ASN   7  -4.878   8.718  -9.604
   43   2HB   ASN   7          2HB       ASN   7  -4.776   7.928 -11.183
   44   1HD2  ASN   7          2HD2      ASN   7  -8.322   7.773 -10.873
   45   2HD2  ASN   7          1HD2      ASN   7  -6.970   8.129 -11.938
   46    H    CYS   8           H        CYS   8  -2.179   6.383 -11.020
   47    HA   CYS   8           HA       CYS   8  -3.367   4.191 -12.630
   48   1HB   CYS   8          1HB       CYS   8  -2.665   6.549 -13.559
   49   2HB   CYS   8          2HB       CYS   8  -1.023   5.871 -13.505
   50    HG   CYS   8           HG       CYS   8  -1.916   5.633 -15.926
   51    H    LYS   9           H        LYS   9  -0.809   4.743 -10.323
   52    HA   LYS   9           HA       LYS   9   0.987   2.693 -11.340
   53   1HB   LYS   9          1HB       LYS   9   0.561   3.906  -8.574
   54   2HB   LYS   9          2HB       LYS   9   1.756   2.649  -8.872
   55   1HG   LYS   9          1HG       LYS   9   1.728   5.256 -10.448
   56   2HG   LYS   9          2HG       LYS   9   2.553   5.091  -8.895
   57   1HD   LYS   9          1HD       LYS   9   3.216   3.297 -11.256
   58   2HD   LYS   9          2HD       LYS   9   4.001   4.855 -10.929
   59   1HE   LYS   9          1HE       LYS   9   4.574   4.068  -8.621
   60   2HE   LYS   9          2HE       LYS   9   3.909   2.480  -9.021
   61   1HZ   LYS   9          1HZ       LYS   9   5.588   2.273 -10.728
   62   2HZ   LYS   9          2HZ       LYS   9   6.253   3.752 -10.299
   63   3HZ   LYS   9          3HZ       LYS   9   6.217   2.471  -9.255
   64    H    ILE  10           H        ILE  10  -1.885   2.661  -9.216
   65    HA   ILE  10           HA       ILE  10  -1.556  -0.085  -8.411
   66    HB   ILE  10           HB       ILE  10  -4.136   1.500  -8.610
   67   1HG1  ILE  10          1HG1      ILE  10  -2.779   1.586  -5.945
   68   2HG1  ILE  10          2HG1      ILE  10  -2.049   2.614  -7.162
   69   1HG2  ILE  10          2HG2      ILE  10  -3.222  -0.738  -6.758
   70   2HG2  ILE  10          3HG2      ILE  10  -4.731   0.182  -6.574
   71   3HG2  ILE  10          1HG2      ILE  10  -4.486  -0.807  -8.015
   72   1HD1  ILE  10          3HD1      ILE  10  -5.011   2.610  -6.499
   73   2HD1  ILE  10          1HD1      ILE  10  -3.817   3.823  -5.972
   74   3HD1  ILE  10          2HD1      ILE  10  -4.208   3.644  -7.695
   75    H    GLN  11           H        GLN  11  -2.546  -1.961  -9.369
   76    HA   GLN  11           HA       GLN  11  -4.655  -1.589 -11.279
   77   1HB   GLN  11          1HB       GLN  11  -3.702  -2.714 -13.157
   78   2HB   GLN  11          2HB       GLN  11  -2.585  -1.491 -12.667
   79   1HG   GLN  11          1HG       GLN  11  -1.046  -3.088 -12.928
   80   2HG   GLN  11          2HG       GLN  11  -1.445  -3.490 -11.272
   81   1HE2  GLN  11          2HE2      GLN  11  -3.579  -6.128 -13.486
   82   2HE2  GLN  11          1HE2      GLN  11  -4.129  -4.538 -13.080
   83    HA   PRO  12           HA       PRO  12  -5.942  -5.170  -9.022
   84   1HB   PRO  12          1HB       PRO  12  -7.715  -6.452 -10.628
   85   2HB   PRO  12          2HB       PRO  12  -7.988  -4.813  -9.979
   86   1HG   PRO  12          1HG       PRO  12  -6.859  -5.549 -12.706
   87   2HG   PRO  12          2HG       PRO  12  -8.214  -4.434 -12.334
   88   1HD   PRO  12          1HD       PRO  12  -5.710  -3.501 -12.734
   89   2HD   PRO  12          2HD       PRO  12  -6.757  -2.791 -11.473
   90    H    GLY  13           H        GLY  13  -3.587  -5.758  -9.291
   91   1HA   GLY  13          1HA       GLY  13  -3.138  -8.426  -9.048
   92   2HA   GLY  13          2HA       GLY  13  -2.938  -8.148 -10.761
   93    H    LYS  14           H        LYS  14  -2.205  -6.005  -7.969
   94    HA   LYS  14           HA       LYS  14   0.636  -6.433  -7.972
   95   1HB   LYS  14          1HB       LYS  14  -0.652  -3.958  -9.128
   96   2HB   LYS  14          2HB       LYS  14   0.519  -3.697  -7.858
   97   1HG   LYS  14          1HG       LYS  14   2.195  -5.081  -9.143
   98   2HG   LYS  14          2HG       LYS  14   1.041  -5.064 -10.497
   99   1HD   LYS  14          1HD       LYS  14   1.020  -2.521 -10.311
  100   2HD   LYS  14          2HD       LYS  14   2.326  -2.637  -9.122
  101   1HE   LYS  14          1HE       LYS  14   2.439  -3.736 -11.953
  102   2HE   LYS  14          2HE       LYS  14   3.032  -2.140 -11.479
  103   1HZ   LYS  14          2HZ       LYS  14   4.094  -4.558 -10.169
  104   2HZ   LYS  14          3HZ       LYS  14   4.679  -4.025 -11.596
  105   3HZ   LYS  14          1HZ       LYS  14   4.726  -3.032 -10.267
  106    H    VAL  15           H        VAL  15   1.465  -5.409  -5.881
  107    HA   VAL  15           HA       VAL  15  -0.713  -4.392  -4.145
  108    HB   VAL  15           HB       VAL  15   1.886  -5.667  -3.286
  109   1HG1  VAL  15          3HG1      VAL  15  -0.681  -4.847  -1.910
  110   2HG1  VAL  15          1HG1      VAL  15   0.597  -5.794  -1.093
  111   3HG1  VAL  15          2HG1      VAL  15   0.901  -4.137  -1.643
  112   1HG2  VAL  15          1HG2      VAL  15  -0.833  -6.986  -3.523
  113   2HG2  VAL  15          2HG2      VAL  15   0.664  -7.457  -4.349
  114   3HG2  VAL  15          3HG2      VAL  15   0.556  -7.638  -2.612
  115    H    VAL  16           H        VAL  16  -0.533  -2.223  -4.888
  116    HA   VAL  16           HA       VAL  16   2.176  -0.979  -4.766
  117    HB   VAL  16           HB       VAL  16  -0.477  -0.029  -5.912
  118   1HG1  VAL  16          1HG1      VAL  16   2.176   1.451  -5.752
  119   2HG1  VAL  16          2HG1      VAL  16   0.755   1.975  -6.683
  120   3HG1  VAL  16          3HG1      VAL  16   0.678   1.923  -4.919
  121   1HG2  VAL  16          1HG2      VAL  16   2.251  -0.814  -7.070
  122   2HG2  VAL  16          2HG2      VAL  16   0.702  -1.629  -7.319
  123   3HG2  VAL  16          3HG2      VAL  16   0.977  -0.035  -8.016
  124    H    VAL  17           H        VAL  17   2.731   0.266  -3.050
  125    HA   VAL  17           HA       VAL  17   0.688   0.865  -0.996
  126    HB   VAL  17           HB       VAL  17   3.509  -0.186  -0.610
  127   1HG1  VAL  17          1HG1      VAL  17   1.257   0.340   1.381
  128   2HG1  VAL  17          2HG1      VAL  17   2.811  -0.439   1.771
  129   3HG1  VAL  17          3HG1      VAL  17   2.752   1.249   1.254
  130   1HG2  VAL  17          1HG2      VAL  17   0.842  -1.628  -0.378
  131   2HG2  VAL  17          2HG2      VAL  17   2.179  -1.984  -1.496
  132   3HG2  VAL  17          3HG2      VAL  17   2.404  -2.242   0.222
  133    H    PHE  18           H        PHE  18   0.658   3.051  -0.630
  134    HA   PHE  18           HA       PHE  18   2.936   4.662  -1.668
  135   1HB   PHE  18          1HB       PHE  18   0.253   5.592  -0.573
  136   2HB   PHE  18          2HB       PHE  18   1.470   6.624  -1.291
  137    HD1  PHE  18          2HD       PHE  18   2.255   6.034  -3.730
  138    HD2  PHE  18          1HD       PHE  18  -1.405   4.616  -1.941
  139    HE1  PHE  18          2HE       PHE  18   1.392   5.410  -5.980
  140    HE2  PHE  18          1HE       PHE  18  -2.242   3.975  -4.188
  141    HZ   PHE  18           HZ       PHE  18  -0.871   4.386  -6.193
  142    H    ILE  19           H        ILE  19   4.429   5.510  -0.284
  143    HA   ILE  19           HA       ILE  19   4.023   5.312   2.662
  144    HB   ILE  19           HB       ILE  19   6.282   4.293   2.815
  145   1HG1  ILE  19          1HG1      ILE  19   6.642   3.204   0.167
  146   2HG1  ILE  19          2HG1      ILE  19   6.487   4.923  -0.007
  147   1HG2  ILE  19          1HG2      ILE  19   4.311   2.844   2.834
  148   2HG2  ILE  19          2HG2      ILE  19   4.473   2.618   1.073
  149   3HG2  ILE  19          3HG2      ILE  19   5.745   2.053   2.161
  150   1HD1  ILE  19          1HD1      ILE  19   8.283   5.298   1.658
  151   2HD1  ILE  19          2HD1      ILE  19   8.476   3.533   1.815
  152   3HD1  ILE  19          3HD1      ILE  19   8.809   4.338   0.265
  153    H    LYS  20           H        LYS  20   5.896   6.324   3.824
  154    HA   LYS  20           HA       LYS  20   7.465   8.237   2.243
  155   1HB   LYS  20          1HB       LYS  20   7.504   9.621   4.449
  156   2HB   LYS  20          2HB       LYS  20   6.166   9.850   3.311
  157   1HG   LYS  20          1HG       LYS  20   4.636   8.653   4.666
  158   2HG   LYS  20          2HG       LYS  20   5.910   7.929   5.619
  159   1HD   LYS  20          1HD       LYS  20   4.815   9.611   6.959
  160   2HD   LYS  20          2HD       LYS  20   6.454  10.166   6.591
  161   1HE   LYS  20          1HE       LYS  20   5.485  11.536   4.691
  162   2HE   LYS  20          2HE       LYS  20   3.864  11.042   5.222
  163   1HZ   LYS  20          2HZ       LYS  20   4.319  12.150   7.343
  164   2HZ   LYS  20          3HZ       LYS  20   5.806  12.611   6.803
  165   3HZ   LYS  20          1HZ       LYS  20   4.427  13.165   6.077
  166    HA   PRO  21           HA       PRO  21  10.527   5.873   4.502
  167   1HB   PRO  21          1HB       PRO  21  12.791   7.220   3.946
  168   2HB   PRO  21          2HB       PRO  21  11.829   6.481   2.633
  169   1HG   PRO  21          1HG       PRO  21  11.776   9.376   3.555
  170   2HG   PRO  21          2HG       PRO  21  11.936   8.756   1.882
  171   1HD   PRO  21          1HD       PRO  21   9.538   9.536   3.017
  172   2HD   PRO  21          2HD       PRO  21   9.646   8.261   1.778
  173    H    THR  22           H        THR  22   9.838   9.260   5.232
  174    HA   THR  22           HA       THR  22  11.254   9.472   7.717
  175    HB   THR  22           HB       THR  22   9.767  11.561   7.782
  176    HG1  THR  22           HG1      THR  22   8.558  12.019   6.045
  177   1HG2  THR  22          1HG2      THR  22  11.500  11.129   5.301
  178   2HG2  THR  22          2HG2      THR  22  10.981  12.693   5.953
  179   3HG2  THR  22          3HG2      THR  22  12.058  11.657   6.902
  180    H    CYS  23           H        CSN  23   9.558   7.062   7.480
  181    HA   CYS  23           HA       CSN  23   7.750   7.467   9.760
  182   1HB   CYS  23          2HB       CSN  23   6.625   7.751   7.522
  183   2HB   CYS  23          3HB       CSN  23   7.032   6.095   7.161
  184    HA   PRO  24           HA       PRO  24   9.532   3.322  10.527
  185   1HB   PRO  24          1HB       PRO  24   8.770   3.057  13.114
  186   2HB   PRO  24          2HB       PRO  24  10.147   4.099  12.639
  187   1HG   PRO  24          1HG       PRO  24   7.291   4.932  13.235
  188   2HG   PRO  24          2HG       PRO  24   8.813   5.675  13.815
  189   1HD   PRO  24          1HD       PRO  24   7.381   6.595  11.645
  190   2HD   PRO  24          2HD       PRO  24   9.153   6.792  11.786
  191    H    TYR  25           H        TYR  25   6.226   4.656  10.626
  192    HA   TYR  25           HA       TYR  25   4.964   2.084  11.264
  193   1HB   TYR  25          1HB       TYR  25   3.733   4.606  10.037
  194   2HB   TYR  25          2HB       TYR  25   2.900   3.219  10.636
  195    HD1  TYR  25          1HD       TYR  25   4.003   2.640  13.301
  196    HD2  TYR  25          2HD       TYR  25   3.247   6.430  11.375
  197    HE1  TYR  25          1HE       TYR  25   3.648   3.713  15.512
  198    HE2  TYR  25          2HE       TYR  25   2.919   7.495  13.576
  199    HH   TYR  25           HH       TYR  25   2.580   7.079  15.858
  200    H    CYS  26           H        CYS  26   5.587   4.167   8.362
  201    HA   CYS  26           HA       CYS  26   4.495   2.409   6.422
  202   1HB   CYS  26          1HB       CYS  26   6.897   4.293   6.186
  203   2HB   CYS  26          2HB       CYS  26   6.204   3.387   4.862
  204    HG   CYS  26           HG       CYS  26   4.846   5.710   6.747
  205    H    ARG  27           H        ARG  27   7.785   2.575   7.809
  206    HA   ARG  27           HA       ARG  27   8.908   0.332   6.484
  207   1HB   ARG  27          1HB       ARG  27  10.130   2.031   7.760
  208   2HB   ARG  27          2HB       ARG  27   9.545   1.274   9.265
  209   1HG   ARG  27          1HG       ARG  27  10.497  -0.910   8.407
  210   2HG   ARG  27          2HG       ARG  27  11.196  -0.051   7.046
  211   1HD   ARG  27          1HD       ARG  27  11.699   0.893   9.883
  212   2HD   ARG  27          2HD       ARG  27  12.593  -0.484   9.238
  213    HE   ARG  27           HE       ARG  27  12.710   2.339   8.322
  214   1HH1  ARG  27          2HH2      ARG  27  13.645  -1.050   7.584
  215   2HH1  ARG  27          1HH2      ARG  27  14.980  -0.608   6.615
  216   1HH2  ARG  27          2HH1      ARG  27  14.391   2.871   6.805
  217   2HH2  ARG  27          1HH1      ARG  27  15.389   1.648   6.087
  218    H    ARG  28           H        ARG  28   6.962   0.344   9.584
  219    HA   ARG  28           HA       ARG  28   7.327  -2.469   9.932
  220   1HB   ARG  28          1HB       ARG  28   6.169  -1.004  11.637
  221   2HB   ARG  28          2HB       ARG  28   4.761  -0.964  10.599
  222   1HG   ARG  28          1HG       ARG  28   4.202  -2.875  11.955
  223   2HG   ARG  28          2HG       ARG  28   4.945  -3.638  10.595
  224   1HD   ARG  28          1HD       ARG  28   7.154  -3.619  11.737
  225   2HD   ARG  28          2HD       ARG  28   6.425  -2.897  13.165
  226    HE   ARG  28           HE       ARG  28   6.126  -5.632  12.058
  227   1HH1  ARG  28          2HH2      ARG  28   5.516  -3.464  14.828
  228   2HH1  ARG  28          1HH2      ARG  28   5.552  -4.713  16.007
  229   1HH2  ARG  28          2HH1      ARG  28   5.786  -7.288  13.507
  230   2HH2  ARG  28          1HH1      ARG  28   5.568  -7.060  15.196
  231    H    ALA  29           H        ALA  29   4.613  -0.729   8.418
  232    HA   ALA  29           HA       ALA  29   3.308  -3.005   7.434
  233   1HB   ALA  29          1HB       ALA  29   2.380  -0.704   7.211
  234   2HB   ALA  29          2HB       ALA  29   3.556  -0.370   5.910
  235   3HB   ALA  29          3HB       ALA  29   2.298  -1.601   5.680
  236    H    GLN  30           H        GLN  30   6.167  -1.386   5.975
  237    HA   GLN  30           HA       GLN  30   6.395  -2.945   3.710
  238   1HB   GLN  30          1HB       GLN  30   7.853  -0.908   5.030
  239   2HB   GLN  30          2HB       GLN  30   8.980  -2.266   5.001
  240   1HG   GLN  30          1HG       GLN  30   9.014  -2.328   2.661
  241   2HG   GLN  30          2HG       GLN  30   7.386  -1.657   2.609
  242   1HE2  GLN  30          2HE2      GLN  30   8.393   1.764   2.652
  243   2HE2  GLN  30          1HE2      GLN  30   7.061   0.649   2.993
  244    H    GLU  31           H        GLU  31   7.895  -3.596   6.926
  245    HA   GLU  31           HA       GLU  31   9.013  -6.047   5.851
  246   1HB   GLU  31          1HB       GLU  31   9.923  -6.486   7.939
  247   2HB   GLU  31          2HB       GLU  31   9.989  -4.755   7.749
  248   1HG   GLU  31          1HG       GLU  31   9.357  -4.859   9.923
  249   2HG   GLU  31          2HG       GLU  31   7.784  -4.734   9.201
  250    H    ILE  32           H        ILE  32   6.162  -5.280   7.823
  251    HA   ILE  32           HA       ILE  32   5.100  -7.838   8.248
  252    HB   ILE  32           HB       ILE  32   4.103  -5.033   7.967
  253   1HG1  ILE  32          1HG1      ILE  32   3.837  -7.232  10.070
  254   2HG1  ILE  32          2HG1      ILE  32   4.962  -5.871  10.118
  255   1HG2  ILE  32          3HG2      ILE  32   2.151  -7.289   8.019
  256   2HG2  ILE  32          1HG2      ILE  32   1.791  -5.567   8.333
  257   3HG2  ILE  32          2HG2      ILE  32   2.375  -6.044   6.757
  258   1HD1  ILE  32          3HD1      ILE  32   2.848  -4.367  10.212
  259   2HD1  ILE  32          1HD1      ILE  32   1.957  -5.865  10.552
  260   3HD1  ILE  32          2HD1      ILE  32   3.231  -5.338  11.656
  261    H    LEU  33           H        LEU  33   4.777  -5.693   5.350
  262    HA   LEU  33           HA       LEU  33   3.011  -7.643   4.164
  263   1HB   LEU  33          1HB       LEU  33   4.326  -5.108   3.101
  264   2HB   LEU  33          2HB       LEU  33   3.701  -6.271   1.967
  265    HG   LEU  33           HG       LEU  33   1.999  -4.787   4.025
  266   1HD1  LEU  33          1HD1      LEU  33   2.685  -3.467   2.103
  267   2HD1  LEU  33          2HD1      LEU  33   2.019  -4.712   1.003
  268   3HD1  LEU  33          3HD1      LEU  33   0.953  -3.820   2.086
  269   1HD2  LEU  33          2HD2      LEU  33   1.377  -7.076   2.101
  270   2HD2  LEU  33          3HD2      LEU  33   0.973  -6.911   3.828
  271   3HD2  LEU  33          1HD2      LEU  33   0.130  -5.935   2.630
  272    H    SER  34           H        SER  34   6.366  -6.529   3.670
  273    HA   SER  34           HA       SER  34   7.014  -8.198   1.487
  274   1HB   SER  34          1HB       SER  34   8.076  -6.033   2.249
  275   2HB   SER  34          2HB       SER  34   8.936  -6.960   3.494
  276    HG   SER  34           HG       SER  34   9.050  -7.190   0.658
  277    H    GLN  35           H        GLN  35   6.878  -9.116   4.873
  278    HA   GLN  35           HA       GLN  35   8.738 -11.308   4.725
  279   1HB   GLN  35          1HB       GLN  35   6.336 -10.721   6.500
  280   2HB   GLN  35          2HB       GLN  35   7.355 -12.128   6.720
  281   1HG   GLN  35          1HG       GLN  35   8.936  -9.628   6.607
  282   2HG   GLN  35          2HG       GLN  35   7.688  -9.591   7.852
  283   1HE2  GLN  35          2HE2      GLN  35  10.314 -10.803   9.896
  284   2HE2  GLN  35          1HE2      GLN  35   9.510  -9.358   9.327
  285    H    LEU  36           H        LEU  36   5.428 -10.942   3.506
  286    HA   LEU  36           HA       LEU  36   4.818 -13.780   3.626
  287   1HB   LEU  36          1HB       LEU  36   3.555 -11.401   2.212
  288   2HB   LEU  36          2HB       LEU  36   2.906 -13.029   2.095
  289    HG   LEU  36           HG       LEU  36   3.174 -11.416   4.670
  290   1HD1  LEU  36          1HD1      LEU  36   0.756 -12.245   3.016
  291   2HD1  LEU  36          2HD1      LEU  36   0.691 -11.432   4.588
  292   3HD1  LEU  36          3HD1      LEU  36   1.409 -10.597   3.199
  293   1HD2  LEU  36          3HD2      LEU  36   2.114 -14.226   4.149
  294   2HD2  LEU  36          1HD2      LEU  36   3.390 -13.727   5.283
  295   3HD2  LEU  36          2HD2      LEU  36   1.708 -13.287   5.595
  296    HA   PRO  37           HA       PRO  37   6.754 -14.833  -0.243
  297   1HB   PRO  37          1HB       PRO  37   5.611 -17.215  -0.851
  298   2HB   PRO  37          2HB       PRO  37   6.588 -16.991   0.626
  299   1HG   PRO  37          1HG       PRO  37   3.563 -16.902   0.382
  300   2HG   PRO  37          2HG       PRO  37   4.552 -17.818   1.563
  301   1HD   PRO  37          1HD       PRO  37   3.454 -15.347   2.103
  302   2HD   PRO  37          2HD       PRO  37   4.984 -15.895   2.833
  303    H    ILE  38           H        ILE  38   5.546 -12.769  -0.994
  304    HA   ILE  38           HA       ILE  38   3.107 -13.239  -2.607
  305    HB   ILE  38           HB       ILE  38   4.752 -10.862  -1.550
  306   1HG1  ILE  38          1HG1      ILE  38   1.733 -11.396  -1.428
  307   2HG1  ILE  38          2HG1      ILE  38   2.878 -12.078  -0.280
  308   1HG2  ILE  38          2HG2      ILE  38   2.530 -10.509  -3.644
  309   2HG2  ILE  38          3HG2      ILE  38   3.233  -9.210  -2.679
  310   3HG2  ILE  38          1HG2      ILE  38   4.238 -10.054  -3.820
  311   1HD1  ILE  38          1HD1      ILE  38   3.688  -9.711   0.209
  312   2HD1  ILE  38          2HD1      ILE  38   2.209  -9.158  -0.633
  313   3HD1  ILE  38          3HD1      ILE  38   2.104 -10.160   0.815
  314    H    LYS  39           H        LYS  39   3.016 -12.837  -4.857
  315    HA   LYS  39           HA       LYS  39   4.970 -13.726  -6.371
  316   1HB   LYS  39          1HB       LYS  39   2.505 -12.260  -6.857
  317   2HB   LYS  39          2HB       LYS  39   3.647 -12.146  -8.185
  318   1HG   LYS  39          1HG       LYS  39   2.942 -14.810  -6.873
  319   2HG   LYS  39          2HG       LYS  39   1.962 -14.109  -8.136
  320   1HD   LYS  39          1HD       LYS  39   4.887 -14.940  -8.346
  321   2HD   LYS  39          2HD       LYS  39   3.485 -15.768  -9.042
  322   1HE   LYS  39          1HE       LYS  39   3.017 -13.693 -10.409
  323   2HE   LYS  39          2HE       LYS  39   4.540 -13.015  -9.821
  324   1HZ   LYS  39          3HZ       LYS  39   5.672 -14.958 -10.820
  325   2HZ   LYS  39          1HZ       LYS  39   4.190 -15.412 -11.484
  326   3HZ   LYS  39          2HZ       LYS  39   4.911 -14.002 -11.876
  327    H    GLN  40           H        GLN  40   6.874 -12.959  -7.303
  328    HA   GLN  40           HA       GLN  40   8.043 -10.695  -6.127
  329   1HB   GLN  40          1HB       GLN  40   9.117 -12.796  -7.124
  330   2HB   GLN  40          2HB       GLN  40   9.013 -12.024  -8.702
  331   1HG   GLN  40          1HG       GLN  40  10.303 -10.523  -6.398
  332   2HG   GLN  40          2HG       GLN  40  11.157 -11.895  -7.086
  333   1HE2  GLN  40          2HE2      GLN  40  12.692  -9.464  -9.172
  334   2HE2  GLN  40          1HE2      GLN  40  12.872 -10.466  -7.755
  335    H    GLY  41           H        GLY  41   8.282  -8.552  -6.771
  336   1HA   GLY  41          1HA       GLY  41   8.123  -6.701  -8.072
  337   2HA   GLY  41          2HA       GLY  41   7.602  -7.685  -9.448
  338    H    LEU  42           H        LEU  42   5.363  -8.571  -7.054
  339    HA   LEU  42           HA       LEU  42   3.386  -6.731  -8.078
  340   1HB   LEU  42          1HB       LEU  42   3.346  -8.571  -5.648
  341   2HB   LEU  42          2HB       LEU  42   2.012  -7.617  -6.248
  342    HG   LEU  42           HG       LEU  42   3.216 -10.087  -7.411
  343   1HD1  LEU  42          2HD1      LEU  42   1.292 -10.136  -5.824
  344   2HD1  LEU  42          3HD1      LEU  42   0.366  -9.126  -6.966
  345   3HD1  LEU  42          1HD1      LEU  42   0.846 -10.759  -7.427
  346   1HD2  LEU  42          3HD2      LEU  42   1.550  -8.149  -9.018
  347   2HD2  LEU  42          1HD2      LEU  42   3.200  -8.718  -9.382
  348   3HD2  LEU  42          2HD2      LEU  42   1.848  -9.846  -9.436
  349    H    LEU  43           H        LEU  43   5.409  -6.959  -5.133
  350    HA   LEU  43           HA       LEU  43   3.825  -4.941  -3.789
  351   1HB   LEU  43          1HB       LEU  43   5.336  -7.092  -2.897
  352   2HB   LEU  43          2HB       LEU  43   6.404  -5.755  -2.588
  353    HG   LEU  43           HG       LEU  43   5.381  -5.812  -0.598
  354   1HD1  LEU  43          1HD1      LEU  43   4.737  -3.575  -1.564
  355   2HD1  LEU  43          2HD1      LEU  43   3.121  -4.240  -1.857
  356   3HD1  LEU  43          3HD1      LEU  43   3.765  -4.146  -0.214
  357   1HD2  LEU  43          1HD2      LEU  43   2.921  -6.944  -1.932
  358   2HD2  LEU  43          2HD2      LEU  43   4.084  -7.712  -0.855
  359   3HD2  LEU  43          3HD2      LEU  43   2.969  -6.499  -0.210
  360    H    GLU  44           H        GLU  44   4.116  -2.803  -4.442
  361    HA   GLU  44           HA       GLU  44   6.956  -1.888  -4.679
  362   1HB   GLU  44          1HB       GLU  44   5.831  -1.851  -6.898
  363   2HB   GLU  44          2HB       GLU  44   4.610  -0.749  -6.221
  364   1HG   GLU  44          1HG       GLU  44   6.511   0.807  -5.544
  365   2HG   GLU  44          2HG       GLU  44   7.637  -0.287  -6.322
  366    H    PHE  45           H        PHE  45   7.478  -0.612  -3.117
  367    HA   PHE  45           HA       PHE  45   5.480   0.846  -1.501
  368   1HB   PHE  45          1HB       PHE  45   8.469   0.462  -1.069
  369   2HB   PHE  45          2HB       PHE  45   7.316   1.137   0.066
  370    HD1  PHE  45          2HD       PHE  45   5.265  -0.389   0.704
  371    HD2  PHE  45          1HD       PHE  45   8.959  -1.884  -0.951
  372    HE1  PHE  45          2HE       PHE  45   4.729  -2.666   1.538
  373    HE2  PHE  45          1HE       PHE  45   8.433  -4.139  -0.087
  374    HZ   PHE  45           HZ       PHE  45   6.330  -4.537   1.174
  375    H    VAL  46           H        VAL  46   4.881   2.559  -2.749
  376    HA   VAL  46           HA       VAL  46   6.757   4.028  -4.463
  377    HB   VAL  46           HB       VAL  46   3.747   4.249  -4.038
  378   1HG1  VAL  46          2HG1      VAL  46   5.554   5.539  -6.145
  379   2HG1  VAL  46          3HG1      VAL  46   3.779   5.613  -6.126
  380   3HG1  VAL  46          1HG1      VAL  46   4.706   6.389  -4.839
  381   1HG2  VAL  46          3HG2      VAL  46   5.355   3.003  -6.297
  382   2HG2  VAL  46          1HG2      VAL  46   4.356   2.128  -5.115
  383   3HG2  VAL  46          2HG2      VAL  46   3.592   3.217  -6.281
  384    H    ASP  47           H        ASP  47   7.960   5.480  -3.442
  385    HA   ASP  47           HA       ASP  47   7.335   6.684  -0.917
  386   1HB   ASP  47          1HB       ASP  47   9.571   6.025  -1.797
  387   2HB   ASP  47          2HB       ASP  47   9.499   7.379  -2.911
  388    H    ILE  48           H        ILE  48   5.751   8.166  -0.748
  389    HA   ILE  48           HA       ILE  48   4.983   9.925  -2.899
  390    HB   ILE  48           HB       ILE  48   3.461  10.941  -1.366
  391   1HG1  ILE  48          1HG1      ILE  48   4.388   9.264   0.981
  392   2HG1  ILE  48          2HG1      ILE  48   4.965  10.889   0.732
  393   1HG2  ILE  48          3HG2      ILE  48   2.996   8.660  -2.371
  394   2HG2  ILE  48          1HG2      ILE  48   3.547   7.914  -0.864
  395   3HG2  ILE  48          2HG2      ILE  48   2.104   8.937  -0.863
  396   1HD1  ILE  48          1HD1      ILE  48   2.539  11.656   0.723
  397   2HD1  ILE  48          2HD1      ILE  48   2.083  10.000   1.162
  398   3HD1  ILE  48          3HD1      ILE  48   3.098  10.950   2.256
  399    H    THR  49           H        THR  49   7.642  10.125  -0.747
  400    HA   THR  49           HA       THR  49   7.706  13.081  -0.840
  401    HB   THR  49           HB       THR  49   9.265  13.018   0.873
  402    HG1  THR  49           HG1      THR  49   9.570  10.243   0.326
  403   1HG2  THR  49          1HG2      THR  49   6.969  12.454   1.667
  404   2HG2  THR  49          2HG2      THR  49   7.389  10.729   1.575
  405   3HG2  THR  49          3HG2      THR  49   8.241  11.792   2.704
  406    H    ALA  50           H        ALA  50   8.721  10.423  -2.663
  407    HA   ALA  50           HA       ALA  50  11.285  11.477  -3.530
  408   1HB   ALA  50          3HB       ALA  50  10.906   9.062  -3.335
  409   2HB   ALA  50          1HB       ALA  50   9.646   9.150  -4.603
  410   3HB   ALA  50          2HB       ALA  50  11.339   9.560  -4.963
  411    H    THR  51           H        THR  51  10.230  13.436  -3.864
  412    HA   THR  51           HA       THR  51   9.956  15.223  -5.161
  413    HB   THR  51           HB       THR  51  11.214  15.234  -7.211
  414    HG1  THR  51           HG1      THR  51  10.886  13.519  -8.335
  415   1HG2  THR  51          2HG2      THR  51  12.420  15.150  -5.043
  416   2HG2  THR  51          3HG2      THR  51  12.545  13.379  -5.203
  417   3HG2  THR  51          1HG2      THR  51  13.333  14.437  -6.384
  418    H    ASN  52           H        ASN  52   7.653  12.991  -5.582
  419    HA   ASN  52           HA       ASN  52   6.302  14.486  -7.747
  420   1HB   ASN  52          1HB       ASN  52   5.795  12.090  -7.297
  421   2HB   ASN  52          2HB       ASN  52   5.048  12.539  -5.771
  422   1HD2  ASN  52          2HD2      ASN  52   3.220  13.320  -9.418
  423   2HD2  ASN  52          1HD2      ASN  52   4.901  12.834  -9.302
  424    H    HIS  53           H        HIS  53   4.282  14.134  -4.947
  425    HA   HIS  53           HA       HIS  53   5.026  16.568  -3.531
  426   1HB   HIS  53          1HB       HIS  53   2.634  16.397  -5.377
  427   2HB   HIS  53          2HB       HIS  53   2.574  17.383  -3.925
  428    HD1  HIS  53          1HD       HIS  53   2.281  18.638  -6.851
  429    HD2  HIS  53          2HD       HIS  53   5.641  18.625  -4.300
  430    HE1  HIS  53          1HE       HIS  53   3.701  20.634  -7.506
  431    H    THR  54           H        THR  54   5.114  15.124  -1.760
  432    HA   THR  54           HA       THR  54   3.285  13.137  -1.114
  433    HB   THR  54           HB       THR  54   4.972  12.919   0.276
  434    HG1  THR  54           HG1      THR  54   3.362  13.107   1.825
  435   1HG2  THR  54          3HG2      THR  54   5.244  15.868   0.619
  436   2HG2  THR  54          1HG2      THR  54   6.262  14.600   1.374
  437   3HG2  THR  54          2HG2      THR  54   6.261  14.779  -0.382
  438    H    ASN  55           H        ASN  55   3.330  16.333   0.236
  439    HA   ASN  55           HA       ASN  55   0.969  16.238   1.655
  440   1HB   ASN  55          1HB       ASN  55   2.849  18.262   1.064
  441   2HB   ASN  55          2HB       ASN  55   1.300  18.913   0.552
  442   1HD2  ASN  55          2HD2      ASN  55   1.960  18.066   4.542
  443   2HD2  ASN  55          1HD2      ASN  55   3.030  17.393   3.348
  444    H    GLU  56           H        GLU  56   1.096  16.788  -1.904
  445    HA   GLU  56           HA       GLU  56  -1.812  17.269  -1.909
  446   1HB   GLU  56          1HB       GLU  56  -1.598  18.299  -3.831
  447   2HB   GLU  56          2HB       GLU  56   0.089  18.460  -3.331
  448   1HG   GLU  56          1HG       GLU  56   0.499  16.259  -4.540
  449   2HG   GLU  56          2HG       GLU  56  -1.146  16.405  -5.159
  450    H    ILE  57           H        ILE  57   0.512  14.671  -2.627
  451    HA   ILE  57           HA       ILE  57  -1.343  12.805  -3.778
  452    HB   ILE  57           HB       ILE  57   1.283  12.613  -2.252
  453   1HG1  ILE  57          1HG1      ILE  57   0.508  11.443  -4.954
  454   2HG1  ILE  57          2HG1      ILE  57   1.091  13.100  -4.750
  455   1HG2  ILE  57          1HG2      ILE  57  -0.594  10.308  -2.820
  456   2HG2  ILE  57          2HG2      ILE  57   1.136  10.061  -2.672
  457   3HG2  ILE  57          3HG2      ILE  57   0.243  10.722  -1.309
  458   1HD1  ILE  57          3HD1      ILE  57   3.202  12.302  -3.770
  459   2HD1  ILE  57          1HD1      ILE  57   2.692  10.618  -4.013
  460   3HD1  ILE  57          2HD1      ILE  57   2.925  11.665  -5.400
  461    H    GLN  58           H        GLN  58  -0.587  13.856  -0.504
  462    HA   GLN  58           HA       GLN  58  -1.979  11.905   1.008
  463   1HB   GLN  58          1HB       GLN  58  -0.909  14.727   1.378
  464   2HB   GLN  58          2HB       GLN  58  -2.030  14.120   2.579
  465   1HG   GLN  58          1HG       GLN  58   0.569  12.723   1.833
  466   2HG   GLN  58          2HG       GLN  58   0.388  13.817   3.179
  467   1HE2  GLN  58          2HE2      GLN  58  -1.121  10.024   3.452
  468   2HE2  GLN  58          1HE2      GLN  58  -0.144  10.526   2.092
  469    H    ASP  59           H        ASP  59  -2.973  15.183  -0.114
  470    HA   ASP  59           HA       ASP  59  -5.674  15.219   0.657
  471   1HB   ASP  59          1HB       ASP  59  -4.287  17.048  -0.445
  472   2HB   ASP  59          2HB       ASP  59  -4.498  16.278  -1.962
  473    H    TYR  60           H        TYR  60  -4.282  14.375  -2.375
  474    HA   TYR  60           HA       TYR  60  -6.537  13.348  -3.708
  475   1HB   TYR  60          1HB       TYR  60  -4.356  13.808  -4.815
  476   2HB   TYR  60          2HB       TYR  60  -3.702  12.317  -4.125
  477    HD1  TYR  60          2HD       TYR  60  -6.368  13.710  -6.350
  478    HD2  TYR  60          1HD       TYR  60  -4.253  10.155  -5.099
  479    HE1  TYR  60          2HE       TYR  60  -7.601  12.382  -8.014
  480    HE2  TYR  60          1HE       TYR  60  -5.496   8.823  -6.779
  481    HH   TYR  60           HH       TYR  60  -7.323   8.838  -8.341
  482    H    LEU  61           H        LEU  61  -4.323  11.464  -1.592
  483    HA   LEU  61           HA       LEU  61  -5.600   8.931  -2.019
  484   1HB   LEU  61          1HB       LEU  61  -3.890  10.062   0.216
  485   2HB   LEU  61          2HB       LEU  61  -4.585   8.457   0.351
  486    HG   LEU  61           HG       LEU  61  -2.936   9.228  -2.079
  487   1HD1  LEU  61          2HD1      LEU  61  -1.888   8.192   0.591
  488   2HD1  LEU  61          3HD1      LEU  61  -0.959   8.257  -0.927
  489   3HD1  LEU  61          1HD1      LEU  61  -1.539   9.747  -0.161
  490   1HD2  LEU  61          3HD2      LEU  61  -4.276   7.155  -2.189
  491   2HD2  LEU  61          1HD2      LEU  61  -2.540   6.826  -2.198
  492   3HD2  LEU  61          2HD2      LEU  61  -3.492   6.561  -0.716
  493    H    GLN  62           H        GLN  62  -6.306  11.638   0.199
  494    HA   GLN  62           HA       GLN  62  -8.357  10.221   1.628
  495   1HB   GLN  62          1HB       GLN  62  -7.176  12.378   2.291
  496   2HB   GLN  62          2HB       GLN  62  -8.240  13.224   1.206
  497   1HG   GLN  62          1HG       GLN  62 -10.061  13.032   2.551
  498   2HG   GLN  62          2HG       GLN  62  -9.683  11.395   3.048
  499   1HE2  GLN  62          2HE2      GLN  62  -9.349  13.856   5.946
  500   2HE2  GLN  62          1HE2      GLN  62 -10.497  13.777   4.643
  501    H    GLN  63           H        GLN  63  -8.318  12.166  -1.299
  502    HA   GLN  63           HA       GLN  63 -11.140  12.184  -1.757
  503   1HB   GLN  63          1HB       GLN  63  -9.126  13.514  -2.888
  504   2HB   GLN  63          2HB       GLN  63  -9.094  12.164  -3.999
  505   1HG   GLN  63          1HG       GLN  63 -10.397  13.777  -5.055
  506   2HG   GLN  63          2HG       GLN  63 -11.548  12.592  -4.468
  507   1HE2  GLN  63          2HE2      GLN  63 -12.395  16.336  -3.628
  508   2HE2  GLN  63          1HE2      GLN  63 -11.553  15.717  -5.036
  509    H    LEU  64           H        LEU  64  -8.597  10.087  -3.089
  510    HA   LEU  64           HA       LEU  64 -10.433   8.436  -4.552
  511   1HB   LEU  64          1HB       LEU  64  -8.262   8.564  -5.447
  512   2HB   LEU  64          2HB       LEU  64  -7.507   8.299  -3.885
  513    HG   LEU  64           HG       LEU  64  -8.221   5.889  -3.937
  514   1HD1  LEU  64          3HD1      LEU  64  -9.042   6.581  -6.794
  515   2HD1  LEU  64          1HD1      LEU  64  -8.902   4.943  -6.119
  516   3HD1  LEU  64          2HD1      LEU  64 -10.125   6.047  -5.494
  517   1HD2  LEU  64          2HD2      LEU  64  -6.550   6.851  -6.282
  518   2HD2  LEU  64          3HD2      LEU  64  -5.964   6.577  -4.620
  519   3HD2  LEU  64          1HD2      LEU  64  -6.540   5.218  -5.606
  520    H    THR  65           H        THR  65  -8.588   7.758  -1.485
  521    HA   THR  65           HA       THR  65 -10.039   5.184  -1.341
  522    HB   THR  65           HB       THR  65  -8.415   4.448   0.216
  523    HG1  THR  65           HG1      THR  65  -7.377   7.094   0.187
  524   1HG2  THR  65          1HG2      THR  65  -7.817   4.339  -2.155
  525   2HG2  THR  65          2HG2      THR  65  -6.948   5.894  -2.019
  526   3HG2  THR  65          3HG2      THR  65  -6.393   4.482  -1.108
  527    H    GLY  66           H        GLY  66 -10.220   8.293   0.250
  528   1HA   GLY  66          1HA       GLY  66 -12.088   8.816   1.573
  529   2HA   GLY  66          2HA       GLY  66 -12.184   7.153   2.148
  530    H    ALA  67           H        ALA  67  -8.878   7.944   2.145
  531    HA   ALA  67           HA       ALA  67  -8.727   9.814   4.292
  532   1HB   ALA  67          3HB       ALA  67  -8.386   6.878   4.877
  533   2HB   ALA  67          1HB       ALA  67  -7.489   8.110   5.794
  534   3HB   ALA  67          2HB       ALA  67  -9.266   8.105   5.801
  535    H    ARG  68           H        ARG  68  -6.603  10.514   4.611
  536    HA   ARG  68           HA       ARG  68  -4.784   9.907   2.400
  537   1HB   ARG  68          1HB       ARG  68  -3.533  11.806   3.200
  538   2HB   ARG  68          2HB       ARG  68  -5.239  12.215   3.174
  539   1HG   ARG  68          1HG       ARG  68  -5.310  11.735   5.672
  540   2HG   ARG  68          2HG       ARG  68  -3.547  11.598   5.626
  541   1HD   ARG  68          1HD       ARG  68  -3.345  13.871   4.752
  542   2HD   ARG  68          2HD       ARG  68  -5.105  14.044   4.675
  543    HE   ARG  68           HE       ARG  68  -3.386  14.343   6.952
  544   1HH1  ARG  68          2HH2      ARG  68  -6.734  13.572   6.002
  545   2HH1  ARG  68          1HH2      ARG  68  -7.415  14.035   7.530
  546   1HH2  ARG  68          2HH1      ARG  68  -4.292  14.798   9.030
  547   2HH2  ARG  68          1HH1      ARG  68  -6.005  14.598   9.291
  548    H    THR  69           H        THR  69  -4.978   8.938   5.804
  549    HA   THR  69           HA       THR  69  -2.356   9.336   6.490
  550    HB   THR  69           HB       THR  69  -2.936   7.561   8.274
  551    HG1  THR  69           HG1      THR  69  -5.110   6.902   8.301
  552   1HG2  THR  69          2HG2      THR  69  -3.295  10.003   8.597
  553   2HG2  THR  69          3HG2      THR  69  -4.911   9.868   7.869
  554   3HG2  THR  69          1HG2      THR  69  -4.550   9.044   9.400
  555    H    VAL  70           H        VAL  70  -0.479   8.276   6.393
  556    HA   VAL  70           HA       VAL  70  -0.425   5.930   4.610
  557    HB   VAL  70           HB       VAL  70   2.138   6.645   4.519
  558   1HG1  VAL  70          1HG1      VAL  70  -0.112   8.020   3.012
  559   2HG1  VAL  70          2HG1      VAL  70   1.600   7.955   2.511
  560   3HG1  VAL  70          3HG1      VAL  70   0.651   6.473   2.611
  561   1HG2  VAL  70          3HG2      VAL  70   1.974   8.510   6.153
  562   2HG2  VAL  70          1HG2      VAL  70   2.447   9.062   4.536
  563   3HG2  VAL  70          2HG2      VAL  70   0.802   9.332   5.094
  564    HA   PRO  71           HA       PRO  71   1.818   4.497   4.029
  565   1HB   PRO  71          1HB       PRO  71   1.768   1.767   4.181
  566   2HB   PRO  71          2HB       PRO  71   3.153   2.736   4.754
  567   1HG   PRO  71          1HG       PRO  71   0.833   1.652   6.387
  568   2HG   PRO  71          2HG       PRO  71   2.579   1.518   6.752
  569   1HD   PRO  71          1HD       PRO  71   1.075   3.433   7.905
  570   2HD   PRO  71          2HD       PRO  71   2.741   3.789   7.377
  571    H    ARG  72           H        ARG  72   0.513   3.618   2.317
  572    HA   ARG  72           HA       ARG  72  -2.365   3.103   2.987
  573   1HB   ARG  72          1HB       ARG  72  -0.947   4.996   1.113
  574   2HB   ARG  72          2HB       ARG  72  -2.360   4.227   0.454
  575   1HG   ARG  72          1HG       ARG  72  -2.300   5.761   3.032
  576   2HG   ARG  72          2HG       ARG  72  -2.777   6.456   1.502
  577   1HD   ARG  72          1HD       ARG  72  -4.846   5.542   1.494
  578   2HD   ARG  72          2HD       ARG  72  -4.289   3.994   2.152
  579    HE   ARG  72           HE       ARG  72  -3.930   5.700   4.227
  580   1HH1  ARG  72          2HH2      ARG  72  -6.855   5.228   2.289
  581   2HH1  ARG  72          1HH2      ARG  72  -7.934   5.117   3.628
  582   1HH2  ARG  72          2HH1      ARG  72  -5.288   5.911   5.961
  583   2HH2  ARG  72          1HH1      ARG  72  -6.968   5.583   5.881
  584    H    VAL  73           H        VAL  73  -2.745   0.929   2.473
  585    HA   VAL  73           HA       VAL  73  -0.989  -0.303   0.403
  586    HB   VAL  73           HB       VAL  73  -2.646  -1.491   2.651
  587   1HG1  VAL  73          3HG1      VAL  73  -1.182  -2.917   0.365
  588   2HG1  VAL  73          1HG1      VAL  73  -1.778  -3.722   1.832
  589   3HG1  VAL  73          2HG1      VAL  73  -2.912  -2.992   0.716
  590   1HG2  VAL  73          2HG2      VAL  73   0.339  -1.515   2.104
  591   2HG2  VAL  73          3HG2      VAL  73  -0.502  -0.646   3.417
  592   3HG2  VAL  73          1HG2      VAL  73  -0.469  -2.409   3.368
  593    H    PHE  74           H        PHE  74  -1.815  -0.661  -1.529
  594    HA   PHE  74           HA       PHE  74  -4.724  -1.124  -1.920
  595   1HB   PHE  74          1HB       PHE  74  -2.681   0.267  -3.652
  596   2HB   PHE  74          2HB       PHE  74  -3.722  -0.883  -4.425
  597    HD1  PHE  74          1HD       PHE  74  -6.120  -0.677  -4.392
  598    HD2  PHE  74          2HD       PHE  74  -3.601   2.543  -3.181
  599    HE1  PHE  74          1HE       PHE  74  -8.000   0.943  -4.811
  600    HE2  PHE  74          2HE       PHE  74  -5.429   4.145  -3.548
  601    HZ   PHE  74           HZ       PHE  74  -7.648   3.342  -4.383
  602    H    ILE  75           H        ILE  75  -4.865  -3.310  -1.697
  603    HA   ILE  75           HA       ILE  75  -2.858  -5.043  -3.056
  604    HB   ILE  75           HB       ILE  75  -4.784  -5.527  -0.844
  605   1HG1  ILE  75          1HG1      ILE  75  -3.213  -7.572  -0.551
  606   2HG1  ILE  75          2HG1      ILE  75  -2.204  -6.788  -1.780
  607   1HG2  ILE  75          1HG2      ILE  75  -4.372  -7.556  -3.105
  608   2HG2  ILE  75          2HG2      ILE  75  -5.099  -7.946  -1.551
  609   3HG2  ILE  75          3HG2      ILE  75  -5.930  -6.848  -2.628
  610   1HD1  ILE  75          1HD1      ILE  75  -1.965  -4.910  -0.273
  611   2HD1  ILE  75          2HD1      ILE  75  -2.919  -5.776   0.965
  612   3HD1  ILE  75          3HD1      ILE  75  -1.355  -6.423   0.408
  613    H    GLY  76           H        GLY  76  -3.311  -5.244  -5.161
  614   1HA   GLY  76          1HA       GLY  76  -4.320  -4.897  -7.164
  615   2HA   GLY  76          2HA       GLY  76  -5.338  -6.184  -6.551
  616    H    LYS  77           H        LYS  77  -5.092  -2.672  -6.867
  617    HA   LYS  77           HA       LYS  77  -6.509  -1.007  -6.804
  618   1HB   LYS  77          1HB       LYS  77  -7.081  -2.643  -8.953
  619   2HB   LYS  77          2HB       LYS  77  -8.673  -2.440  -8.257
  620   1HG   LYS  77          1HG       LYS  77  -7.341   0.153  -8.294
  621   2HG   LYS  77          2HG       LYS  77  -7.044  -0.633  -9.830
  622   1HD   LYS  77          1HD       LYS  77  -9.013   0.820  -9.940
  623   2HD   LYS  77          2HD       LYS  77  -9.515  -0.870 -10.182
  624   1HE   LYS  77          1HE       LYS  77 -10.408  -1.035  -7.968
  625   2HE   LYS  77          2HE       LYS  77  -9.520   0.390  -7.435
  626   1HZ   LYS  77          3HZ       LYS  77 -11.825   0.541  -9.263
  627   2HZ   LYS  77          1HZ       LYS  77 -11.820   0.801  -7.642
  628   3HZ   LYS  77          2HZ       LYS  77 -10.941   1.784  -8.625
  629    H    ASP  78           H        ASP  78  -7.074  -3.045  -4.416
  630    HA   ASP  78           HA       ASP  78  -9.087  -1.012  -3.684
  631   1HB   ASP  78          1HB       ASP  78  -9.493  -3.921  -3.238
  632   2HB   ASP  78          2HB       ASP  78 -10.020  -2.785  -1.990
  633    H    CYS  79           H        CYS  79  -8.661   0.168  -2.130
  634    HA   CYS  79           HA       CYS  79  -6.206   0.028  -0.660
  635   1HB   CYS  79          1HB       CYS  79  -7.265   2.150  -1.417
  636   2HB   CYS  79          2HB       CYS  79  -8.571   1.920  -0.252
  637    HG   CYS  79           HG       CYS  79  -7.167   1.960   1.852
  638    H    ILE  80           H        ILE  80  -5.949  -1.362   1.051
  639    HA   ILE  80           HA       ILE  80  -8.322  -2.422   2.316
  640    HB   ILE  80           HB       ILE  80  -6.910  -4.022   3.246
  641   1HG1  ILE  80          1HG1      ILE  80  -4.291  -3.720   2.705
  642   2HG1  ILE  80          2HG1      ILE  80  -4.735  -2.015   2.787
  643   1HG2  ILE  80          2HG2      ILE  80  -7.274  -4.154   0.757
  644   2HG2  ILE  80          3HG2      ILE  80  -5.661  -3.460   0.530
  645   3HG2  ILE  80          1HG2      ILE  80  -5.841  -5.018   1.353
  646   1HD1  ILE  80          3HD1      ILE  80  -5.886  -2.790   5.100
  647   2HD1  ILE  80          1HD1      ILE  80  -4.753  -4.124   4.919
  648   3HD1  ILE  80          2HD1      ILE  80  -4.163  -2.440   4.986
  649    H    GLY  81           H        GLY  81  -6.044   0.110   2.959
  650   1HA   GLY  81          1HA       GLY  81  -7.137   1.678   4.731
  651   2HA   GLY  81          2HA       GLY  81  -6.864   0.287   5.798
  652    H    GLY  82           H        GLY  82  -5.547   1.781   6.982
  653   1HA   GLY  82          1HA       GLY  82  -2.904   2.397   5.817
  654   2HA   GLY  82          2HA       GLY  82  -3.556   3.140   7.286
  655    H    CYS  83           H        CYS  83  -1.537   2.428   8.466
  656    HA   CYS  83           HA       CYS  83  -0.484  -0.228   8.128
  657   1HB   CYS  83          1HB       CYS  83   0.889   0.441  10.175
  658   2HB   CYS  83          2HB       CYS  83   1.136   1.402   8.737
  659    HG   CYS  83           HG       CYS  83   1.199   2.953  10.875
  660    H    SER  84           H        SER  84  -2.728   1.344  10.435
  661    HA   SER  84           HA       SER  84  -2.407  -0.793  12.305
  662   1HB   SER  84          1HB       SER  84  -3.137   1.605  12.794
  663   2HB   SER  84          2HB       SER  84  -4.745   1.133  12.255
  664    HG   SER  84           HG       SER  84  -4.646  -0.548  13.926
  665    H    ASP  85           H        ASP  85  -4.839  -0.034   9.767
  666    HA   ASP  85           HA       ASP  85  -6.505  -2.358  10.259
  667   1HB   ASP  85          1HB       ASP  85  -6.165  -0.422   7.968
  668   2HB   ASP  85          2HB       ASP  85  -7.015  -1.941   7.687
  669    H    LEU  86           H        LEU  86  -3.777  -1.676   8.043
  670    HA   LEU  86           HA       LEU  86  -3.557  -4.169   6.821
  671   1HB   LEU  86          1HB       LEU  86  -2.388  -2.015   6.266
  672   2HB   LEU  86          2HB       LEU  86  -1.332  -2.254   7.641
  673    HG   LEU  86           HG       LEU  86  -0.375  -2.729   5.452
  674   1HD1  LEU  86          2HD1      LEU  86   0.502  -3.772   7.536
  675   2HD1  LEU  86          3HD1      LEU  86  -0.296  -5.283   7.028
  676   3HD1  LEU  86          1HD1      LEU  86   0.933  -4.533   6.003
  677   1HD2  LEU  86          2HD2      LEU  86  -2.312  -3.761   4.315
  678   2HD2  LEU  86          3HD2      LEU  86  -0.879  -4.784   4.224
  679   3HD2  LEU  86          1HD2      LEU  86  -2.169  -5.197   5.363
  680    H    VAL  87           H        VAL  87  -2.218  -3.143  10.032
  681    HA   VAL  87           HA       VAL  87  -0.898  -5.562  10.617
  682    HB   VAL  87           HB       VAL  87  -1.926  -3.169  12.096
  683   1HG1  VAL  87          2HG1      VAL  87  -1.250  -5.753  13.518
  684   2HG1  VAL  87          3HG1      VAL  87  -1.315  -4.139  14.268
  685   3HG1  VAL  87          1HG1      VAL  87  -2.783  -4.847  13.594
  686   1HG2  VAL  87          3HG2      VAL  87   0.388  -3.400  11.139
  687   2HG2  VAL  87          1HG2      VAL  87   0.329  -3.050  12.883
  688   3HG2  VAL  87          2HG2      VAL  87   0.690  -4.694  12.313
  689    H    SER  88           H        SER  88  -4.402  -4.622  11.109
  690    HA   SER  88           HA       SER  88  -5.073  -7.036  12.534
  691   1HB   SER  88          1HB       SER  88  -6.575  -4.890  11.088
  692   2HB   SER  88          2HB       SER  88  -7.272  -6.493  10.907
  693    HG   SER  88           HG       SER  88  -6.689  -5.264  13.408
  694    H    LEU  89           H        LEU  89  -5.156  -6.140   9.032
  695    HA   LEU  89           HA       LEU  89  -6.082  -8.646   8.147
  696   1HB   LEU  89          1HB       LEU  89  -4.495  -6.470   6.728
  697   2HB   LEU  89          2HB       LEU  89  -4.977  -7.959   5.969
  698    HG   LEU  89           HG       LEU  89  -7.387  -7.410   6.697
  699   1HD1  LEU  89          2HD1      LEU  89  -6.176  -4.644   6.738
  700   2HD1  LEU  89          3HD1      LEU  89  -7.898  -4.974   6.486
  701   3HD1  LEU  89          1HD1      LEU  89  -7.140  -5.452   8.001
  702   1HD2  LEU  89          1HD2      LEU  89  -6.603  -7.634   4.380
  703   2HD2  LEU  89          2HD2      LEU  89  -7.733  -6.285   4.536
  704   3HD2  LEU  89          3HD2      LEU  89  -5.984  -5.971   4.410
  705    H    GLN  90           H        GLN  90  -2.684  -7.590   8.800
  706    HA   GLN  90           HA       GLN  90  -1.418 -10.076   7.992
  707   1HB   GLN  90          1HB       GLN  90  -0.226  -8.074   8.154
  708   2HB   GLN  90          2HB       GLN  90  -0.425  -8.092   9.919
  709   1HG   GLN  90          1HG       GLN  90   1.612  -9.093   9.206
  710   2HG   GLN  90          2HG       GLN  90   0.688 -10.299  10.054
  711   1HE2  GLN  90          2HE2      GLN  90   2.067 -10.957   6.265
  712   2HE2  GLN  90          1HE2      GLN  90   2.508  -9.492   7.061
  713    H    GLN  91           H        GLN  91  -2.050  -8.868  11.377
  714    HA   GLN  91           HA       GLN  91  -1.332 -11.112  12.653
  715   1HB   GLN  91          1HB       GLN  91  -2.112  -8.523  13.185
  716   2HB   GLN  91          2HB       GLN  91  -3.472  -9.377  13.878
  717   1HG   GLN  91          1HG       GLN  91  -0.567 -10.052  14.502
  718   2HG   GLN  91          2HG       GLN  91  -1.412  -8.680  15.207
  719   1HE2  GLN  91          2HE2      GLN  91  -2.909 -12.443  16.031
  720   2HE2  GLN  91          1HE2      GLN  91  -1.773 -12.235  14.740
  721    H    SER  92           H        SER  92  -4.638 -10.249  11.593
  722    HA   SER  92           HA       SER  92  -5.725 -12.744  12.735
  723   1HB   SER  92          1HB       SER  92  -6.692 -10.158  12.668
  724   2HB   SER  92          2HB       SER  92  -7.506 -10.857  11.262
  725    HG   SER  92           HG       SER  92  -8.322 -12.485  12.594
  726    H    GLY  93           H        GLY  93  -4.217 -11.833   9.879
  727   1HA   GLY  93          1HA       GLY  93  -3.781 -13.084   8.121
  728   2HA   GLY  93          2HA       GLY  93  -4.964 -14.271   8.638
  729    H    GLU  94           H        GLU  94  -6.516 -11.093   8.200
  730    HA   GLU  94           HA       GLU  94  -7.957 -12.203   5.975
  731   1HB   GLU  94          1HB       GLU  94  -9.078 -10.647   7.350
  732   2HB   GLU  94          2HB       GLU  94  -7.817  -9.444   7.189
  733   1HG   GLU  94          1HG       GLU  94  -8.397  -9.002   4.881
  734   2HG   GLU  94          2HG       GLU  94  -9.398 -10.450   4.797
  735    H    LEU  95           H        LEU  95  -5.009 -10.375   6.281
  736    HA   LEU  95           HA       LEU  95  -4.644  -9.269   3.735
  737   1HB   LEU  95          1HB       LEU  95  -3.151  -8.867   5.694
  738   2HB   LEU  95          2HB       LEU  95  -2.644 -10.550   5.651
  739    HG   LEU  95           HG       LEU  95  -1.499 -10.161   3.545
  740   1HD1  LEU  95          3HD1      LEU  95  -2.442  -7.258   3.793
  741   2HD1  LEU  95          1HD1      LEU  95  -1.271  -7.886   2.602
  742   3HD1  LEU  95          2HD1      LEU  95  -2.951  -8.409   2.533
  743   1HD2  LEU  95          1HD2      LEU  95  -0.473  -9.698   5.784
  744   2HD2  LEU  95          2HD2      LEU  95   0.286  -8.851   4.444
  745   3HD2  LEU  95          3HD2      LEU  95  -0.815  -7.972   5.546
  746    H    LEU  96           H        LEU  96  -4.247 -12.651   4.810
  747    HA   LEU  96           HA       LEU  96  -2.613 -13.408   2.550
  748   1HB   LEU  96          1HB       LEU  96  -4.203 -14.993   4.623
  749   2HB   LEU  96          2HB       LEU  96  -3.320 -15.778   3.338
  750    HG   LEU  96           HG       LEU  96  -2.189 -15.745   5.545
  751   1HD1  LEU  96          1HD1      LEU  96  -0.922 -16.139   3.494
  752   2HD1  LEU  96          2HD1      LEU  96  -0.579 -14.387   3.359
  753   3HD1  LEU  96          3HD1      LEU  96   0.047 -15.338   4.723
  754   1HD2  LEU  96          1HD2      LEU  96  -2.700 -13.399   6.241
  755   2HD2  LEU  96          2HD2      LEU  96  -0.997 -13.835   6.386
  756   3HD2  LEU  96          3HD2      LEU  96  -1.523 -12.820   5.034
  757    H    THR  97           H        THR  97  -6.110 -13.937   3.340
  758    HA   THR  97           HA       THR  97  -6.815 -15.007   0.805
  759    HB   THR  97           HB       THR  97  -8.455 -13.353   2.791
  760    HG1  THR  97           HG1      THR  97  -7.932 -16.135   2.654
  761   1HG2  THR  97          1HG2      THR  97  -9.621 -13.808   0.608
  762   2HG2  THR  97          2HG2      THR  97  -9.404 -15.546   0.893
  763   3HG2  THR  97          3HG2      THR  97 -10.389 -14.573   2.006
  764    H    ARG  98           H        ARG  98  -6.869 -11.615   2.053
  765    HA   ARG  98           HA       ARG  98  -7.876 -10.314  -0.183
  766   1HB   ARG  98          1HB       ARG  98  -7.179  -9.374   2.110
  767   2HB   ARG  98          2HB       ARG  98  -5.541  -9.293   1.490
  768   1HG   ARG  98          1HG       ARG  98  -5.989  -7.310   0.568
  769   2HG   ARG  98          2HG       ARG  98  -7.175  -8.059  -0.508
  770   1HD   ARG  98          1HD       ARG  98  -7.688  -6.951   2.262
  771   2HD   ARG  98          2HD       ARG  98  -8.133  -6.227   0.706
  772    HE   ARG  98           HE       ARG  98  -9.306  -8.720   0.626
  773   1HH1  ARG  98          2HH2      ARG  98  -9.832  -5.915   2.811
  774   2HH1  ARG  98          1HH2      ARG  98 -11.137  -6.681   3.612
  775   1HH2  ARG  98          2HH1      ARG  98 -10.962  -9.704   1.793
  776   2HH2  ARG  98          1HH1      ARG  98 -11.938  -8.781   2.881
  777    H    LEU  99           H        LEU  99  -4.448 -11.166   0.454
  778    HA   LEU  99           HA       LEU  99  -3.429 -10.158  -2.041
  779   1HB   LEU  99          1HB       LEU  99  -2.519 -12.103   0.128
  780   2HB   LEU  99          2HB       LEU  99  -1.524 -11.873  -1.277
  781    HG   LEU  99           HG       LEU  99  -2.330  -9.553   0.484
  782   1HD1  LEU  99          1HD1      LEU  99  -1.095 -11.300   1.743
  783   2HD1  LEU  99          2HD1      LEU  99   0.167 -11.308   0.518
  784   3HD1  LEU  99          3HD1      LEU  99  -0.108  -9.844   1.507
  785   1HD2  LEU  99          1HD2      LEU  99  -1.550  -9.001  -1.834
  786   2HD2  LEU  99          2HD2      LEU  99  -0.404  -8.470  -0.586
  787   3HD2  LEU  99          3HD2      LEU  99  -0.075  -9.926  -1.546
  788    H    LYS 100           H        LYS 100  -4.460 -13.454  -0.993
  789    HA   LYS 100           HA       LYS 100  -3.619 -14.595  -3.495
  790   1HB   LYS 100          1HB       LYS 100  -5.294 -15.488  -1.138
  791   2HB   LYS 100          2HB       LYS 100  -5.390 -16.394  -2.635
  792   1HG   LYS 100          1HG       LYS 100  -2.744 -16.274  -2.644
  793   2HG   LYS 100          2HG       LYS 100  -2.913 -15.680  -1.007
  794   1HD   LYS 100          1HD       LYS 100  -2.502 -18.106  -0.937
  795   2HD   LYS 100          2HD       LYS 100  -4.177 -17.836  -0.429
  796   1HE   LYS 100          1HE       LYS 100  -5.008 -18.475  -2.622
  797   2HE   LYS 100          2HE       LYS 100  -3.385 -18.431  -3.320
  798   1HZ   LYS 100          1HZ       LYS 100  -4.318 -20.361  -1.299
  799   2HZ   LYS 100          2HZ       LYS 100  -4.124 -20.650  -2.906
  800   3HZ   LYS 100          3HZ       LYS 100  -2.806 -20.327  -1.982
  801    H    GLN 101           H        GLN 101  -6.652 -13.050  -2.568
  802    HA   GLN 101           HA       GLN 101  -8.113 -13.769  -4.821
  803   1HB   GLN 101          1HB       GLN 101  -8.558 -12.122  -2.700
  804   2HB   GLN 101          2HB       GLN 101  -8.199 -10.906  -3.914
  805   1HG   GLN 101          1HG       GLN 101 -10.563 -11.213  -3.906
  806   2HG   GLN 101          2HG       GLN 101 -10.005 -12.036  -5.366
  807   1HE2  GLN 101          2HE2      GLN 101 -12.441 -14.241  -3.436
  808   2HE2  GLN 101          1HE2      GLN 101 -12.557 -12.570  -3.972
  809    H    ILE 102           H        ILE 102  -5.324 -11.494  -4.632
  810    HA   ILE 102           HA       ILE 102  -5.685 -10.884  -7.505
  811    HB   ILE 102           HB       ILE 102  -4.321  -9.076  -7.263
  812   1HG1  ILE 102          1HG1      ILE 102  -3.482  -9.268  -4.403
  813   2HG1  ILE 102          2HG1      ILE 102  -2.827 -10.485  -5.425
  814   1HG2  ILE 102          1HG2      ILE 102  -6.475  -8.777  -6.127
  815   2HG2  ILE 102          2HG2      ILE 102  -5.756  -9.318  -4.579
  816   3HG2  ILE 102          3HG2      ILE 102  -5.181  -7.837  -5.319
  817   1HD1  ILE 102          2HD1      ILE 102  -1.946  -8.796  -6.991
  818   2HD1  ILE 102          3HD1      ILE 102  -2.692  -7.521  -5.998
  819   3HD1  ILE 102          1HD1      ILE 102  -1.361  -8.502  -5.340
  820    H    GLY 103           H        GLY 103  -4.534 -13.546  -6.147
  821   1HA   GLY 103          1HA       GLY 103  -3.212 -15.207  -7.025
  822   2HA   GLY 103          2HA       GLY 103  -2.788 -14.143  -8.366
  823    H    ALA 104           H        ALA 104  -2.166 -13.060  -5.083
  824    HA   ALA 104           HA       ALA 104   0.611 -12.427  -5.697
  825   1HB   ALA 104          1HB       ALA 104  -1.145 -12.516  -3.186
  826   2HB   ALA 104          2HB       ALA 104   0.428 -11.729  -3.232
  827   3HB   ALA 104          3HB       ALA 104  -0.946 -11.070  -4.183
  828    H    LEU 105           H        LEU 105  -0.847 -14.704  -3.112
  829    HA   LEU 105           HA       LEU 105   1.845 -15.676  -2.755
  830   1HB   LEU 105          1HB       LEU 105  -0.665 -17.020  -1.890
  831   2HB   LEU 105          2HB       LEU 105   0.920 -17.071  -1.230
  832    HG   LEU 105           HG       LEU 105  -0.902 -14.673  -0.963
  833   1HD1  LEU 105          3HD1      LEU 105  -1.429 -16.725   0.479
  834   2HD1  LEU 105          1HD1      LEU 105   0.133 -16.475   1.258
  835   3HD1  LEU 105          2HD1      LEU 105  -1.130 -15.214   1.318
  836   1HD2  LEU 105          1HD2      LEU 105   1.896 -15.112   0.154
  837   2HD2  LEU 105          2HD2      LEU 105   1.427 -13.926  -1.074
  838   3HD2  LEU 105          3HD2      LEU 105   0.812 -13.767   0.578
  839    H    GLN 106           H        GLN 106   2.523 -17.319  -3.723
  840    HA   GLN 106           HA       GLN 106   1.784 -17.147  -6.393
  841   1HB   GLN 106          2HB       GLN 106   4.071 -17.303  -5.642
  842   2HB   GLN 106          3HB       GLN 106   3.876 -19.029  -5.269
  843   1HG   GLN 106          2HG       GLN 106   3.550 -19.561  -7.614
  844   2HG   GLN 106          3HG       GLN 106   3.316 -17.870  -8.035
  845   1HE2  GLN 106          2HE2      GLN 106   7.145 -19.309  -7.530
  846   2HE2  GLN 106          1HE2      GLN 106   5.786 -20.204  -6.868
   
  No H/Q in entry =         846
  Start of MODEL    4
    1   1H    ALA   2          3H        ALA   2  -4.729  10.368  -7.882
    2   2H    ALA   2          1H        ALA   2  -3.367   9.785  -7.229
    3   3H    ALA   2          2H        ALA   2  -4.563  10.380  -6.245
    4    HA   ALA   2           HA       ALA   2  -4.212  12.588  -7.043
    5   1HB   ALA   2          1HB       ALA   2  -2.805  11.719  -5.166
    6   2HB   ALA   2          2HB       ALA   2  -1.586  11.222  -6.350
    7   3HB   ALA   2          3HB       ALA   2  -1.958  12.944  -6.147
    8    H    GLN   3           H        GLN   3  -4.186  13.474  -8.983
    9    HA   GLN   3           HA       GLN   3  -3.759  13.827 -11.195
   10   1HB   GLN   3          1HB       GLN   3  -2.697  15.273  -9.490
   11   2HB   GLN   3          2HB       GLN   3  -1.203  14.336  -9.677
   12   1HG   GLN   3          1HG       GLN   3  -1.890  15.108 -12.311
   13   2HG   GLN   3          2HG       GLN   3  -2.410  16.478 -11.341
   14   1HE2  GLN   3          2HE2      GLN   3   1.005  17.206 -10.187
   15   2HE2  GLN   3          1HE2      GLN   3  -0.435  16.727  -9.342
   16    H    GLU   4           H        GLU   4  -3.825  11.424 -11.600
   17    HA   GLU   4           HA       GLU   4  -3.243   9.583 -12.589
   18   1HB   GLU   4          1HB       GLU   4  -2.704  11.429 -14.268
   19   2HB   GLU   4          2HB       GLU   4  -1.001  11.017 -14.001
   20   1HG   GLU   4          1HG       GLU   4  -1.393   8.732 -14.731
   21   2HG   GLU   4          2HG       GLU   4  -3.150   8.962 -14.707
   22    H    PHE   5           H        PHE   5  -0.410  11.001 -10.959
   23    HA   PHE   5           HA       PHE   5   1.409   8.951 -11.312
   24   1HB   PHE   5          1HB       PHE   5   1.578  11.346 -10.265
   25   2HB   PHE   5          2HB       PHE   5   1.301  10.551  -8.737
   26    HD1  PHE   5          1HD       PHE   5   2.946   8.248  -8.534
   27    HD2  PHE   5          2HD       PHE   5   3.765  11.854 -10.765
   28    HE1  PHE   5          1HE       PHE   5   5.366   7.797  -8.379
   29    HE2  PHE   5          2HE       PHE   5   6.199  11.391 -10.601
   30    HZ   PHE   5           HZ       PHE   5   7.009   9.363  -9.404
   31    H    VAL   6           H        VAL   6  -0.573   9.406  -8.340
   32    HA   VAL   6           HA       VAL   6  -0.005   6.756  -7.306
   33    HB   VAL   6           HB       VAL   6  -1.989   8.929  -6.717
   34   1HG1  VAL   6          1HG1      VAL   6  -2.252   6.197  -5.445
   35   2HG1  VAL   6          2HG1      VAL   6  -3.013   7.677  -4.845
   36   3HG1  VAL   6          3HG1      VAL   6  -3.466   7.025  -6.426
   37   1HG2  VAL   6          3HG2      VAL   6   0.290   8.991  -5.701
   38   2HG2  VAL   6          1HG2      VAL   6  -0.998   8.882  -4.482
   39   3HG2  VAL   6          2HG2      VAL   6  -0.053   7.469  -4.884
   40    H    ASN   7           H        ASN   7  -2.279   7.974  -9.695
   41    HA   ASN   7           HA       ASN   7  -4.264   5.910  -9.144
   42   1HB   ASN   7          1HB       ASN   7  -4.171   8.032 -11.317
   43   2HB   ASN   7          2HB       ASN   7  -5.551   7.025 -10.914
   44   1HD2  ASN   7          2HD2      ASN   7  -6.015  10.285  -9.208
   45   2HD2  ASN   7          1HD2      ASN   7  -5.392   9.943 -10.783
   46    H    CYS   8           H        CYS   8  -1.764   6.471 -11.594
   47    HA   CYS   8           HA       CYS   8  -2.402   4.001 -13.059
   48   1HB   CYS   8          1HB       CYS   8  -1.559   6.200 -14.116
   49   2HB   CYS   8          2HB       CYS   8   0.006   5.853 -13.359
   50    HG   CYS   8           HG       CYS   8   0.210   5.168 -15.827
   51    H    LYS   9           H        LYS   9  -0.385   5.088 -10.342
   52    HA   LYS   9           HA       LYS   9   1.641   3.119 -10.591
   53   1HB   LYS   9          1HB       LYS   9   0.675   4.935  -8.466
   54   2HB   LYS   9          2HB       LYS   9   1.318   3.448  -7.837
   55   1HG   LYS   9          1HG       LYS   9   2.876   5.431  -8.038
   56   2HG   LYS   9          2HG       LYS   9   3.475   3.871  -8.518
   57   1HD   LYS   9          1HD       LYS   9   2.407   5.350 -10.846
   58   2HD   LYS   9          2HD       LYS   9   3.564   6.282  -9.936
   59   1HE   LYS   9          1HE       LYS   9   4.951   5.206 -11.412
   60   2HE   LYS   9          2HE       LYS   9   5.090   4.173  -9.990
   61   1HZ   LYS   9          1HZ       LYS   9   3.333   3.679 -12.318
   62   2HZ   LYS   9          2HZ       LYS   9   4.764   2.971 -12.087
   63   3HZ   LYS   9          3HZ       LYS   9   3.575   2.630 -11.025
   64    H    ILE  10           H        ILE  10  -1.546   2.949  -8.888
   65    HA   ILE  10           HA       ILE  10  -1.049   0.229  -8.069
   66    HB   ILE  10           HB       ILE  10  -3.783   1.464  -8.384
   67   1HG1  ILE  10          1HG1      ILE  10  -2.617   1.847  -5.677
   68   2HG1  ILE  10          2HG1      ILE  10  -1.897   2.881  -6.880
   69   1HG2  ILE  10          2HG2      ILE  10  -2.550  -0.476  -6.363
   70   2HG2  ILE  10          3HG2      ILE  10  -4.194   0.149  -6.298
   71   3HG2  ILE  10          1HG2      ILE  10  -3.681  -0.881  -7.662
   72   1HD1  ILE  10          2HD1      ILE  10  -4.878   2.660  -6.381
   73   2HD1  ILE  10          3HD1      ILE  10  -3.808   3.994  -5.878
   74   3HD1  ILE  10          1HD1      ILE  10  -4.098   3.695  -7.602
   75    H    GLN  11           H        GLN  11  -1.973  -1.726  -9.000
   76    HA   GLN  11           HA       GLN  11  -3.153  -1.483 -11.704
   77   1HB   GLN  11          1HB       GLN  11  -0.623  -2.930 -10.858
   78   2HB   GLN  11          2HB       GLN  11  -1.626  -3.576 -12.156
   79   1HG   GLN  11          1HG       GLN  11  -1.442  -1.453 -13.400
   80   2HG   GLN  11          2HG       GLN  11  -0.402  -0.799 -12.128
   81   1HE2  GLN  11          2HE2      GLN  11   2.196  -1.871 -14.370
   82   2HE2  GLN  11          1HE2      GLN  11   1.150  -0.518 -14.057
   83    HA   PRO  12           HA       PRO  12  -5.870  -4.483  -9.802
   84   1HB   PRO  12          1HB       PRO  12  -7.338  -5.327 -11.920
   85   2HB   PRO  12          2HB       PRO  12  -7.364  -3.654 -11.303
   86   1HG   PRO  12          1HG       PRO  12  -5.749  -4.755 -13.627
   87   2HG   PRO  12          2HG       PRO  12  -6.804  -3.301 -13.575
   88   1HD   PRO  12          1HD       PRO  12  -4.082  -3.174 -13.210
   89   2HD   PRO  12          2HD       PRO  12  -5.223  -2.059 -12.398
   90    H    GLY  13           H        GLY  13  -3.541  -5.548  -9.676
   91   1HA   GLY  13          1HA       GLY  13  -3.858  -8.305  -9.363
   92   2HA   GLY  13          2HA       GLY  13  -3.190  -8.092 -10.966
   93    H    LYS  14           H        LYS  14  -2.405  -5.756  -8.458
   94    HA   LYS  14           HA       LYS  14   0.245  -6.897  -7.963
   95   1HB   LYS  14          1HB       LYS  14  -0.197  -4.979  -9.921
   96   2HB   LYS  14          2HB       LYS  14   0.073  -3.958  -8.531
   97   1HG   LYS  14          1HG       LYS  14   2.283  -4.958  -8.204
   98   2HG   LYS  14          2HG       LYS  14   1.941  -6.185  -9.454
   99   1HD   LYS  14          1HD       LYS  14   1.782  -4.426 -11.141
  100   2HD   LYS  14          2HD       LYS  14   2.117  -3.171  -9.932
  101   1HE   LYS  14          1HE       LYS  14   4.335  -3.845  -9.636
  102   2HE   LYS  14          2HE       LYS  14   4.019  -5.498 -10.193
  103   1HZ   LYS  14          3HZ       LYS  14   4.048  -3.124 -11.940
  104   2HZ   LYS  14          1HZ       LYS  14   5.268  -4.218 -11.794
  105   3HZ   LYS  14          2HZ       LYS  14   3.809  -4.706 -12.411
  106    H    VAL  15           H        VAL  15   1.124  -5.976  -5.914
  107    HA   VAL  15           HA       VAL  15  -0.990  -4.813  -4.200
  108    HB   VAL  15           HB       VAL  15   1.619  -6.196  -3.454
  109   1HG1  VAL  15          1HG1      VAL  15  -0.739  -5.049  -1.981
  110   2HG1  VAL  15          2HG1      VAL  15   0.283  -6.296  -1.218
  111   3HG1  VAL  15          3HG1      VAL  15   0.952  -4.728  -1.703
  112   1HG2  VAL  15          1HG2      VAL  15  -1.161  -7.374  -3.627
  113   2HG2  VAL  15          2HG2      VAL  15   0.319  -7.908  -4.452
  114   3HG2  VAL  15          3HG2      VAL  15   0.193  -8.080  -2.719
  115    H    VAL  16           H        VAL  16  -0.788  -2.581  -4.655
  116    HA   VAL  16           HA       VAL  16   2.013  -1.523  -4.677
  117    HB   VAL  16           HB       VAL  16  -0.390  -0.297  -6.021
  118   1HG1  VAL  16          1HG1      VAL  16   2.564   0.417  -6.049
  119   2HG1  VAL  16          2HG1      VAL  16   1.305   1.196  -7.031
  120   3HG1  VAL  16          3HG1      VAL  16   1.275   1.361  -5.272
  121   1HG2  VAL  16          1HG2      VAL  16   1.920  -2.005  -7.052
  122   2HG2  VAL  16          2HG2      VAL  16   0.183  -2.279  -7.235
  123   3HG2  VAL  16          3HG2      VAL  16   0.969  -0.965  -8.122
  124    H    VAL  17           H        VAL  17   2.540  -0.174  -3.121
  125    HA   VAL  17           HA       VAL  17   0.397   0.659  -1.233
  126    HB   VAL  17           HB       VAL  17   3.266  -0.169  -0.610
  127   1HG1  VAL  17          1HG1      VAL  17   0.958   0.343   1.316
  128   2HG1  VAL  17          2HG1      VAL  17   2.574  -0.242   1.757
  129   3HG1  VAL  17          3HG1      VAL  17   2.378   1.375   1.096
  130   1HG2  VAL  17          1HG2      VAL  17   0.724  -1.804  -0.323
  131   2HG2  VAL  17          2HG2      VAL  17   2.152  -2.172  -1.302
  132   3HG2  VAL  17          3HG2      VAL  17   2.281  -2.201   0.450
  133    H    PHE  18           H        PHE  18   0.841   2.760  -0.230
  134    HA   PHE  18           HA       PHE  18   2.989   4.328  -1.607
  135   1HB   PHE  18          1HB       PHE  18   0.257   5.242  -0.561
  136   2HB   PHE  18          2HB       PHE  18   1.454   6.365  -1.183
  137    HD1  PHE  18          1HD       PHE  18   2.369   6.020  -3.569
  138    HD2  PHE  18          2HD       PHE  18  -1.169   4.057  -2.070
  139    HE1  PHE  18          1HE       PHE  18   1.670   5.510  -5.881
  140    HE2  PHE  18          2HE       PHE  18  -1.890   3.597  -4.388
  141    HZ   PHE  18           HZ       PHE  18  -0.464   4.340  -6.305
  142    H    ILE  19           H        ILE  19   4.558   4.949  -0.182
  143    HA   ILE  19           HA       ILE  19   4.003   5.315   2.706
  144    HB   ILE  19           HB       ILE  19   6.314   4.287   3.120
  145   1HG1  ILE  19          1HG1      ILE  19   6.671   2.411   1.120
  146   2HG1  ILE  19          2HG1      ILE  19   6.376   3.886   0.219
  147   1HG2  ILE  19          3HG2      ILE  19   4.241   3.076   3.624
  148   2HG2  ILE  19          1HG2      ILE  19   4.278   2.326   2.026
  149   3HG2  ILE  19          2HG2      ILE  19   5.567   1.987   3.193
  150   1HD1  ILE  19          1HD1      ILE  19   8.521   3.497   2.297
  151   2HD1  ILE  19          2HD1      ILE  19   8.722   3.441   0.538
  152   3HD1  ILE  19          3HD1      ILE  19   8.254   4.968   1.312
  153    H    LYS  20           H        LYS  20   6.155   6.322   3.683
  154    HA   LYS  20           HA       LYS  20   7.602   8.023   1.806
  155   1HB   LYS  20          1HB       LYS  20   7.547   9.936   3.374
  156   2HB   LYS  20          2HB       LYS  20   5.952   9.556   2.731
  157   1HG   LYS  20          1HG       LYS  20   5.550   8.279   4.943
  158   2HG   LYS  20          2HG       LYS  20   7.034   9.037   5.538
  159   1HD   LYS  20          1HD       LYS  20   4.619  10.531   4.414
  160   2HD   LYS  20          2HD       LYS  20   4.847  10.199   6.120
  161   1HE   LYS  20          1HE       LYS  20   6.896  11.776   4.488
  162   2HE   LYS  20          2HE       LYS  20   5.479  12.525   5.235
  163   1HZ   LYS  20          1HZ       LYS  20   6.253  11.606   7.381
  164   2HZ   LYS  20          2HZ       LYS  20   7.691  11.205   6.682
  165   3HZ   LYS  20          3HZ       LYS  20   7.188  12.771   6.753
  166    HA   PRO  21           HA       PRO  21  10.773   5.929   3.818
  167   1HB   PRO  21          1HB       PRO  21  12.944   7.637   3.765
  168   2HB   PRO  21          2HB       PRO  21  12.221   6.938   2.292
  169   1HG   PRO  21          1HG       PRO  21  11.721   9.664   3.490
  170   2HG   PRO  21          2HG       PRO  21  12.077   9.231   1.780
  171   1HD   PRO  21          1HD       PRO  21   9.546   9.638   2.619
  172   2HD   PRO  21          2HD       PRO  21   9.937   8.337   1.466
  173    H    THR  22           H        THR  22   9.713   8.807   5.398
  174    HA   THR  22           HA       THR  22  11.493   8.614   7.686
  175    HB   THR  22           HB       THR  22  10.146  10.878   8.017
  176    HG1  THR  22           HG1      THR  22   9.862  11.554   5.636
  177   1HG2  THR  22          1HG2      THR  22  12.157  10.459   5.749
  178   2HG2  THR  22          2HG2      THR  22  11.754  12.020   6.506
  179   3HG2  THR  22          3HG2      THR  22  12.530  10.758   7.457
  180    H    CYS  23           H        CSN  23   8.430   7.351   6.905
  181    HA   CYS  23           HA       CSN  23   7.254   7.875   9.553
  182   1HB   CYS  23          2HB       CSN  23   5.887   8.248   7.593
  183   2HB   CYS  23          3HB       CSN  23   6.246   6.642   7.007
  184    HA   PRO  24           HA       PRO  24   8.740   3.763  10.705
  185   1HB   PRO  24          1HB       PRO  24   7.829   3.610  13.244
  186   2HB   PRO  24          2HB       PRO  24   9.157   4.705  12.768
  187   1HG   PRO  24          1HG       PRO  24   6.238   5.396  13.155
  188   2HG   PRO  24          2HG       PRO  24   7.667   6.279  13.765
  189   1HD   PRO  24          1HD       PRO  24   6.320   6.940  11.428
  190   2HD   PRO  24          2HD       PRO  24   8.047   7.278  11.686
  191    H    TYR  25           H        TYR  25   5.385   4.899  10.587
  192    HA   TYR  25           HA       TYR  25   4.243   2.247  11.126
  193   1HB   TYR  25          1HB       TYR  25   2.996   4.814  10.036
  194   2HB   TYR  25          2HB       TYR  25   2.126   3.371  10.469
  195    HD1  TYR  25          2HD       TYR  25   4.122   6.178  11.771
  196    HD2  TYR  25          1HD       TYR  25   1.653   2.796  12.843
  197    HE1  TYR  25          2HE       TYR  25   4.059   6.972  14.101
  198    HE2  TYR  25          1HE       TYR  25   1.544   3.621  15.168
  199    HH   TYR  25           HH       TYR  25   3.569   6.266  16.314
  200    H    CYS  26           H        CYS  26   5.062   4.387   8.361
  201    HA   CYS  26           HA       CYS  26   4.300   2.624   6.257
  202   1HB   CYS  26          1HB       CYS  26   6.576   4.645   6.522
  203   2HB   CYS  26          2HB       CYS  26   6.252   3.719   5.073
  204    HG   CYS  26           HG       CYS  26   4.426   5.917   6.700
  205    H    ARG  27           H        ARG  27   7.487   2.944   7.951
  206    HA   ARG  27           HA       ARG  27   8.795   0.794   6.761
  207   1HB   ARG  27          1HB       ARG  27   8.940   1.821   9.595
  208   2HB   ARG  27          2HB       ARG  27   9.886   0.429   9.086
  209   1HG   ARG  27          1HG       ARG  27  11.049   1.693   7.396
  210   2HG   ARG  27          2HG       ARG  27  10.017   3.111   7.687
  211   1HD   ARG  27          1HD       ARG  27  10.790   3.192  10.041
  212   2HD   ARG  27          2HD       ARG  27  11.735   1.723   9.816
  213    HE   ARG  27           HE       ARG  27  12.410   4.463   9.013
  214   1HH1  ARG  27          2HH2      ARG  27  13.171   1.053   8.156
  215   2HH1  ARG  27          1HH2      ARG  27  14.742   1.454   7.600
  216   1HH2  ARG  27          2HH1      ARG  27  14.646   4.851   8.649
  217   2HH2  ARG  27          1HH1      ARG  27  15.665   3.627   8.023
  218    H    ARG  28           H        ARG  28   6.585   0.658   9.595
  219    HA   ARG  28           HA       ARG  28   6.785  -2.111  10.119
  220   1HB   ARG  28          1HB       ARG  28   5.630  -0.519  11.595
  221   2HB   ARG  28          2HB       ARG  28   4.380  -0.275  10.422
  222   1HG   ARG  28          1HG       ARG  28   3.210  -2.006  11.311
  223   2HG   ARG  28          2HG       ARG  28   4.382  -3.092  10.656
  224   1HD   ARG  28          1HD       ARG  28   4.929  -1.809  13.346
  225   2HD   ARG  28          2HD       ARG  28   3.808  -3.150  13.186
  226    HE   ARG  28           HE       ARG  28   6.647  -3.346  12.191
  227   1HH1  ARG  28          2HH2      ARG  28   4.006  -4.675  14.236
  228   2HH1  ARG  28          1HH2      ARG  28   4.958  -6.020  14.730
  229   1HH2  ARG  28          2HH1      ARG  28   7.777  -5.119  12.756
  230   2HH2  ARG  28          1HH1      ARG  28   7.139  -6.361  13.828
  231    H    ALA  29           H        ALA  29   4.233  -0.418   8.294
  232    HA   ALA  29           HA       ALA  29   2.986  -2.763   7.385
  233   1HB   ALA  29          3HB       ALA  29   3.173  -0.109   5.877
  234   2HB   ALA  29          1HB       ALA  29   2.027  -1.417   5.509
  235   3HB   ALA  29          2HB       ALA  29   1.925  -0.582   7.067
  236    H    GLN  30           H        GLN  30   5.794  -1.048   5.779
  237    HA   GLN  30           HA       GLN  30   6.097  -2.676   3.647
  238   1HB   GLN  30          1HB       GLN  30   7.407  -0.550   4.854
  239   2HB   GLN  30          2HB       GLN  30   8.571  -1.847   5.077
  240   1HG   GLN  30          1HG       GLN  30   8.803  -2.225   2.776
  241   2HG   GLN  30          2HG       GLN  30   7.221  -1.490   2.510
  242   1HE2  GLN  30          2HE2      GLN  30  10.238   0.871   1.625
  243   2HE2  GLN  30          1HE2      GLN  30  10.147  -0.853   1.359
  244    H    GLU  31           H        GLU  31   7.505  -3.204   6.897
  245    HA   GLU  31           HA       GLU  31   8.839  -5.614   5.941
  246   1HB   GLU  31          1HB       GLU  31   9.509  -6.005   8.282
  247   2HB   GLU  31          2HB       GLU  31   9.861  -4.360   7.750
  248   1HG   GLU  31          1HG       GLU  31   7.862  -3.552   8.915
  249   2HG   GLU  31          2HG       GLU  31   7.513  -5.180   9.510
  250    H    ILE  32           H        ILE  32   5.930  -4.915   7.737
  251    HA   ILE  32           HA       ILE  32   5.025  -7.541   8.299
  252    HB   ILE  32           HB       ILE  32   3.791  -4.823   7.879
  253   1HG1  ILE  32          1HG1      ILE  32   3.954  -6.847  10.166
  254   2HG1  ILE  32          2HG1      ILE  32   4.813  -5.316  10.041
  255   1HG2  ILE  32          2HG2      ILE  32   2.124  -7.279   8.197
  256   2HG2  ILE  32          3HG2      ILE  32   1.551  -5.597   8.360
  257   3HG2  ILE  32          1HG2      ILE  32   2.139  -6.157   6.814
  258   1HD1  ILE  32          2HD1      ILE  32   2.490  -4.193  10.108
  259   2HD1  ILE  32          3HD1      ILE  32   1.855  -5.777  10.588
  260   3HD1  ILE  32          1HD1      ILE  32   3.053  -4.966  11.607
  261    H    LEU  33           H        LEU  33   4.483  -5.470   5.368
  262    HA   LEU  33           HA       LEU  33   2.925  -7.592   4.240
  263   1HB   LEU  33          1HB       LEU  33   3.871  -4.933   3.221
  264   2HB   LEU  33          2HB       LEU  33   3.662  -6.147   1.990
  265    HG   LEU  33           HG       LEU  33   1.447  -5.340   3.927
  266   1HD1  LEU  33          2HD1      LEU  33   1.959  -4.551   1.060
  267   2HD1  LEU  33          3HD1      LEU  33   0.444  -4.314   1.918
  268   3HD1  LEU  33          1HD1      LEU  33   1.922  -3.511   2.495
  269   1HD2  LEU  33          3HD2      LEU  33   1.451  -7.149   1.447
  270   2HD2  LEU  33          1HD2      LEU  33   1.151  -7.673   3.094
  271   3HD2  LEU  33          2HD2      LEU  33   0.003  -6.595   2.299
  272    H    SER  34           H        SER  34   6.277  -6.349   3.728
  273    HA   SER  34           HA       SER  34   7.161  -8.191   1.836
  274   1HB   SER  34          1HB       SER  34   8.288  -6.114   2.763
  275   2HB   SER  34          2HB       SER  34   8.826  -7.097   4.136
  276    HG   SER  34           HG       SER  34  10.371  -6.871   2.464
  277    H    GLN  35           H        GLN  35   6.283  -9.083   5.160
  278    HA   GLN  35           HA       GLN  35   8.084 -11.364   5.299
  279   1HB   GLN  35          1HB       GLN  35   5.511 -10.621   6.735
  280   2HB   GLN  35          2HB       GLN  35   6.285 -12.182   6.976
  281   1HG   GLN  35          1HG       GLN  35   8.332 -11.167   7.762
  282   2HG   GLN  35          2HG       GLN  35   7.698  -9.555   7.489
  283   1HE2  GLN  35          2HE2      GLN  35   7.278 -10.325  11.107
  284   2HE2  GLN  35          1HE2      GLN  35   8.557  -9.936   9.966
  285    H    LEU  36           H        LEU  36   5.063 -10.824   3.530
  286    HA   LEU  36           HA       LEU  36   4.272 -13.604   3.760
  287   1HB   LEU  36          1HB       LEU  36   3.195 -11.341   2.092
  288   2HB   LEU  36          2HB       LEU  36   2.410 -12.903   2.346
  289    HG   LEU  36           HG       LEU  36   2.903 -10.700   4.404
  290   1HD1  LEU  36          2HD1      LEU  36   0.354 -11.846   3.193
  291   2HD1  LEU  36          3HD1      LEU  36   0.447 -10.636   4.482
  292   3HD1  LEU  36          1HD1      LEU  36   1.067 -10.251   2.866
  293   1HD2  LEU  36          1HD2      LEU  36   1.671 -13.452   4.834
  294   2HD2  LEU  36          2HD2      LEU  36   3.149 -12.816   5.581
  295   3HD2  LEU  36          3HD2      LEU  36   1.589 -12.105   5.985
  296    HA   PRO  37           HA       PRO  37   6.574 -14.755   0.089
  297   1HB   PRO  37          1HB       PRO  37   5.705 -17.299  -0.295
  298   2HB   PRO  37          2HB       PRO  37   6.692 -16.819   1.110
  299   1HG   PRO  37          1HG       PRO  37   3.662 -17.097   1.016
  300   2HG   PRO  37          2HG       PRO  37   4.799 -17.781   2.217
  301   1HD   PRO  37          1HD       PRO  37   3.434 -15.444   2.602
  302   2HD   PRO  37          2HD       PRO  37   5.082 -15.681   3.243
  303    H    ILE  38           H        ILE  38   5.652 -13.144  -1.213
  304    HA   ILE  38           HA       ILE  38   3.040 -13.614  -2.558
  305    HB   ILE  38           HB       ILE  38   4.845 -11.271  -1.790
  306   1HG1  ILE  38          1HG1      ILE  38   1.820 -11.688  -1.484
  307   2HG1  ILE  38          2HG1      ILE  38   2.984 -12.342  -0.335
  308   1HG2  ILE  38          3HG2      ILE  38   2.504 -10.994  -3.767
  309   2HG2  ILE  38          1HG2      ILE  38   3.332  -9.649  -2.973
  310   3HG2  ILE  38          2HG2      ILE  38   4.217 -10.633  -4.088
  311   1HD1  ILE  38          3HD1      ILE  38   3.934 -10.046   0.025
  312   2HD1  ILE  38          1HD1      ILE  38   2.592  -9.420  -0.969
  313   3HD1  ILE  38          2HD1      ILE  38   2.251 -10.223   0.550
  314    H    LYS  39           H        LYS  39   2.867 -13.523  -4.912
  315    HA   LYS  39           HA       LYS  39   4.766 -14.411  -6.482
  316   1HB   LYS  39          1HB       LYS  39   2.313 -12.923  -6.919
  317   2HB   LYS  39          2HB       LYS  39   3.482 -12.684  -8.204
  318   1HG   LYS  39          1HG       LYS  39   2.990 -15.507  -7.244
  319   2HG   LYS  39          2HG       LYS  39   1.764 -14.722  -8.206
  320   1HD   LYS  39          1HD       LYS  39   4.682 -15.046  -8.997
  321   2HD   LYS  39          2HD       LYS  39   3.365 -16.110  -9.512
  322   1HE   LYS  39          1HE       LYS  39   2.260 -14.210 -10.658
  323   2HE   LYS  39          2HE       LYS  39   3.518 -13.104 -10.116
  324   1HZ   LYS  39          1HZ       LYS  39   3.984 -15.400 -11.906
  325   2HZ   LYS  39          2HZ       LYS  39   3.754 -13.882 -12.400
  326   3HZ   LYS  39          3HZ       LYS  39   5.081 -14.221 -11.488
  327    H    GLN  40           H        GLN  40   6.687 -13.689  -7.341
  328    HA   GLN  40           HA       GLN  40   7.910 -11.456  -6.239
  329   1HB   GLN  40          1HB       GLN  40   8.820 -13.548  -7.734
  330   2HB   GLN  40          2HB       GLN  40   8.907 -12.281  -8.952
  331   1HG   GLN  40          1HG       GLN  40  10.261 -12.384  -6.238
  332   2HG   GLN  40          2HG       GLN  40  11.036 -12.479  -7.819
  333   1HE2  GLN  40          2HE2      GLN  40  10.582  -8.854  -6.104
  334   2HE2  GLN  40          1HE2      GLN  40  10.310 -10.360  -5.249
  335    H    GLY  41           H        GLY  41   7.837  -9.303  -6.638
  336   1HA   GLY  41          1HA       GLY  41   7.925  -7.386  -7.944
  337   2HA   GLY  41          2HA       GLY  41   7.343  -8.282  -9.348
  338    H    LEU  42           H        LEU  42   5.095  -9.229  -6.936
  339    HA   LEU  42           HA       LEU  42   3.213  -7.274  -7.917
  340   1HB   LEU  42          1HB       LEU  42   2.946  -9.259  -5.649
  341   2HB   LEU  42          2HB       LEU  42   1.706  -8.236  -6.319
  342    HG   LEU  42           HG       LEU  42   2.954 -10.672  -7.513
  343   1HD1  LEU  42          1HD1      LEU  42   0.903 -10.727  -6.068
  344   2HD1  LEU  42          2HD1      LEU  42   0.082  -9.723  -7.283
  345   3HD1  LEU  42          3HD1      LEU  42   0.626 -11.347  -7.716
  346   1HD2  LEU  42          1HD2      LEU  42   1.410  -8.617  -9.109
  347   2HD2  LEU  42          2HD2      LEU  42   3.078  -9.163  -9.385
  348   3HD2  LEU  42          3HD2      LEU  42   1.734 -10.285  -9.623
  349    H    LEU  43           H        LEU  43   5.206  -7.674  -4.899
  350    HA   LEU  43           HA       LEU  43   3.591  -5.565  -3.670
  351   1HB   LEU  43          1HB       LEU  43   4.864  -7.631  -2.488
  352   2HB   LEU  43          2HB       LEU  43   6.106  -6.413  -2.349
  353    HG   LEU  43           HG       LEU  43   5.026  -6.049  -0.382
  354   1HD1  LEU  43          3HD1      LEU  43   4.775  -3.886  -1.595
  355   2HD1  LEU  43          1HD1      LEU  43   3.111  -4.334  -2.004
  356   3HD1  LEU  43          2HD1      LEU  43   3.596  -4.138  -0.320
  357   1HD2  LEU  43          1HD2      LEU  43   2.619  -7.210  -1.711
  358   2HD2  LEU  43          2HD2      LEU  43   3.414  -7.578  -0.161
  359   3HD2  LEU  43          3HD2      LEU  43   2.373  -6.171  -0.293
  360    H    GLU  44           H        GLU  44   3.875  -3.543  -4.380
  361    HA   GLU  44           HA       GLU  44   6.613  -2.567  -5.081
  362   1HB   GLU  44          1HB       GLU  44   4.939  -3.163  -6.913
  363   2HB   GLU  44          2HB       GLU  44   4.056  -1.714  -6.412
  364   1HG   GLU  44          1HG       GLU  44   6.006  -0.337  -6.812
  365   2HG   GLU  44          2HG       GLU  44   7.039  -1.722  -7.042
  366    H    PHE  45           H        PHE  45   7.175  -1.501  -3.225
  367    HA   PHE  45           HA       PHE  45   5.177   0.183  -1.888
  368   1HB   PHE  45          1HB       PHE  45   8.123   0.146  -1.120
  369   2HB   PHE  45          2HB       PHE  45   6.746   0.597  -0.193
  370    HD1  PHE  45          1HD       PHE  45   4.991  -1.128   0.485
  371    HD2  PHE  45          2HD       PHE  45   8.919  -2.160  -0.964
  372    HE1  PHE  45          1HE       PHE  45   4.825  -3.340   1.600
  373    HE2  PHE  45          2HE       PHE  45   8.733  -4.379   0.127
  374    HZ   PHE  45           HZ       PHE  45   6.692  -4.965   1.425
  375    H    VAL  46           H        VAL  46   4.686   2.132  -2.950
  376    HA   VAL  46           HA       VAL  46   6.725   3.484  -4.553
  377    HB   VAL  46           HB       VAL  46   3.770   4.022  -4.037
  378   1HG1  VAL  46          3HG1      VAL  46   5.708   5.254  -6.035
  379   2HG1  VAL  46          1HG1      VAL  46   3.945   5.494  -6.027
  380   3HG1  VAL  46          2HG1      VAL  46   4.902   6.064  -4.669
  381   1HG2  VAL  46          3HG2      VAL  46   4.132   1.892  -5.256
  382   2HG2  VAL  46          1HG2      VAL  46   3.381   3.116  -6.269
  383   3HG2  VAL  46          2HG2      VAL  46   5.116   2.752  -6.460
  384    H    ASP  47           H        ASP  47   7.832   5.182  -3.746
  385    HA   ASP  47           HA       ASP  47   7.232   6.342  -1.114
  386   1HB   ASP  47          1HB       ASP  47   9.555   5.791  -1.849
  387   2HB   ASP  47          2HB       ASP  47   9.442   7.033  -3.087
  388    H    ILE  48           H        ILE  48   5.710   7.970  -1.057
  389    HA   ILE  48           HA       ILE  48   4.954   9.478  -3.450
  390    HB   ILE  48           HB       ILE  48   3.570  10.823  -1.963
  391   1HG1  ILE  48          1HG1      ILE  48   4.601   9.168   0.369
  392   2HG1  ILE  48          2HG1      ILE  48   5.116  10.785   0.036
  393   1HG2  ILE  48          3HG2      ILE  48   3.428   7.782  -1.609
  394   2HG2  ILE  48          1HG2      ILE  48   2.080   8.888  -1.326
  395   3HG2  ILE  48          2HG2      ILE  48   2.783   8.710  -2.948
  396   1HD1  ILE  48          3HD1      ILE  48   2.772  11.606   0.313
  397   2HD1  ILE  48          1HD1      ILE  48   2.262   9.967   0.716
  398   3HD1  ILE  48          2HD1      ILE  48   3.416  10.814   1.758
  399    H    THR  49           H        THR  49   7.544   9.766  -1.193
  400    HA   THR  49           HA       THR  49   7.916  12.613  -1.762
  401    HB   THR  49           HB       THR  49   9.602  12.636  -0.201
  402    HG1  THR  49           HG1      THR  49   9.605   9.788  -0.219
  403   1HG2  THR  49          3HG2      THR  49   7.309  12.324   0.783
  404   2HG2  THR  49          1HG2      THR  49   7.650  10.593   0.945
  405   3HG2  THR  49          2HG2      THR  49   8.619  11.776   1.834
  406    H    ALA  50           H        ALA  50   8.491   9.684  -3.419
  407    HA   ALA  50           HA       ALA  50  11.025   9.787  -4.421
  408   1HB   ALA  50          2HB       ALA  50   8.487   9.127  -5.976
  409   2HB   ALA  50          3HB       ALA  50  10.138   8.729  -6.484
  410   3HB   ALA  50          1HB       ALA  50   9.482   7.994  -5.029
  411    H    THR  51           H        THR  51   8.274  11.790  -5.543
  412    HA   THR  51           HA       THR  51  10.235  13.513  -6.986
  413    HB   THR  51           HB       THR  51   8.456  14.051  -8.563
  414    HG1  THR  51           HG1      THR  51   6.561  13.168  -8.532
  415   1HG2  THR  51          2HG2      THR  51  10.013  12.073  -8.949
  416   2HG2  THR  51          3HG2      THR  51   8.718  11.010  -8.378
  417   3HG2  THR  51          1HG2      THR  51   8.482  11.997  -9.833
  418    H    ASN  52           H        ASN  52   8.954  13.417  -4.173
  419    HA   ASN  52           HA       ASN  52   7.639  14.545  -2.728
  420   1HB   ASN  52          1HB       ASN  52   9.933  15.544  -2.722
  421   2HB   ASN  52          2HB       ASN  52   9.271  16.898  -3.643
  422   1HD2  ASN  52          2HD2      ASN  52   7.359  18.160  -0.815
  423   2HD2  ASN  52          1HD2      ASN  52   7.331  18.035  -2.558
  424    H    HIS  53           H        HIS  53   5.847  14.076  -4.313
  425    HA   HIS  53           HA       HIS  53   4.250  16.583  -4.511
  426   1HB   HIS  53          1HB       HIS  53   3.973  13.983  -6.054
  427   2HB   HIS  53          2HB       HIS  53   2.654  15.139  -5.873
  428    HD1  HIS  53          1HD       HIS  53   2.492  17.016  -7.594
  429    HD2  HIS  53          2HD       HIS  53   6.299  15.219  -7.299
  430    HE1  HIS  53          1HE       HIS  53   3.930  18.013  -9.451
  431    H    THR  54           H        THR  54   5.131  14.847  -2.209
  432    HA   THR  54           HA       THR  54   3.297  13.010  -1.303
  433    HB   THR  54           HB       THR  54   4.889  12.852   0.068
  434    HG1  THR  54           HG1      THR  54   4.028  15.025   1.586
  435   1HG2  THR  54          1HG2      THR  54   6.429  14.335  -0.904
  436   2HG2  THR  54          2HG2      THR  54   5.727  15.704   0.008
  437   3HG2  THR  54          3HG2      THR  54   6.530  14.393   0.861
  438    H    ASN  55           H        ASN  55   3.431  16.323  -0.388
  439    HA   ASN  55           HA       ASN  55   1.150  16.679   1.063
  440   1HB   ASN  55          1HB       ASN  55   2.800  18.479   0.595
  441   2HB   ASN  55          2HB       ASN  55   2.088  18.696  -1.014
  442   1HD2  ASN  55          2HD2      ASN  55  -0.479  20.796   0.281
  443   2HD2  ASN  55          1HD2      ASN  55   0.394  20.253  -1.122
  444    H    GLU  56           H        GLU  56   1.132  16.834  -2.584
  445    HA   GLU  56           HA       GLU  56  -1.719  17.310  -2.652
  446   1HB   GLU  56          1HB       GLU  56  -1.511  17.786  -4.743
  447   2HB   GLU  56          2HB       GLU  56   0.215  17.875  -4.411
  448   1HG   GLU  56          1HG       GLU  56   0.444  15.581  -5.095
  449   2HG   GLU  56          2HG       GLU  56  -1.283  15.425  -5.400
  450    H    ILE  57           H        ILE  57   0.413  14.525  -2.912
  451    HA   ILE  57           HA       ILE  57  -1.558  12.689  -3.780
  452    HB   ILE  57           HB       ILE  57   1.195  12.497  -2.501
  453   1HG1  ILE  57          1HG1      ILE  57   0.169  11.251  -5.078
  454   2HG1  ILE  57          2HG1      ILE  57   0.662  12.944  -5.016
  455   1HG2  ILE  57          1HG2      ILE  57  -0.822  10.260  -2.779
  456   2HG2  ILE  57          2HG2      ILE  57   0.889   9.924  -2.979
  457   3HG2  ILE  57          3HG2      ILE  57   0.306  10.607  -1.454
  458   1HD1  ILE  57          1HD1      ILE  57   2.927  12.242  -4.225
  459   2HD1  ILE  57          2HD1      ILE  57   2.450  10.549  -4.450
  460   3HD1  ILE  57          3HD1      ILE  57   2.507  11.640  -5.838
  461    H    GLN  58           H        GLN  58  -0.466  13.682  -0.626
  462    HA   GLN  58           HA       GLN  58  -1.779  11.939   1.141
  463   1HB   GLN  58          1HB       GLN  58  -0.585  14.728   1.155
  464   2HB   GLN  58          2HB       GLN  58  -1.608  14.287   2.496
  465   1HG   GLN  58          1HG       GLN  58   0.801  12.631   1.660
  466   2HG   GLN  58          2HG       GLN  58   0.869  13.937   2.844
  467   1HE2  GLN  58          2HE2      GLN  58  -0.886  10.411   3.851
  468   2HE2  GLN  58          1HE2      GLN  58   0.162  10.576   2.451
  469    H    ASP  59           H        ASP  59  -2.756  15.140  -0.116
  470    HA   ASP  59           HA       ASP  59  -5.262  15.468   1.153
  471   1HB   ASP  59          1HB       ASP  59  -3.924  17.170  -0.135
  472   2HB   ASP  59          2HB       ASP  59  -4.322  16.394  -1.615
  473    H    TYR  60           H        TYR  60  -4.582  14.631  -2.125
  474    HA   TYR  60           HA       TYR  60  -7.130  13.753  -2.977
  475   1HB   TYR  60          1HB       TYR  60  -5.061  14.138  -4.392
  476   2HB   TYR  60          2HB       TYR  60  -4.434  12.599  -3.839
  477    HD1  TYR  60          1HD       TYR  60  -6.007  10.450  -4.349
  478    HD2  TYR  60          2HD       TYR  60  -6.283  14.266  -6.375
  479    HE1  TYR  60          1HE       TYR  60  -7.166   9.379  -6.296
  480    HE2  TYR  60          2HE       TYR  60  -7.346  13.142  -8.303
  481    HH   TYR  60           HH       TYR  60  -8.586   9.966  -8.213
  482    H    LEU  61           H        LEU  61  -4.617  11.792  -1.330
  483    HA   LEU  61           HA       LEU  61  -5.957   9.282  -1.554
  484   1HB   LEU  61          1HB       LEU  61  -3.727  10.380   0.134
  485   2HB   LEU  61          2HB       LEU  61  -4.478   8.913   0.664
  486    HG   LEU  61           HG       LEU  61  -3.327   9.222  -2.130
  487   1HD1  LEU  61          2HD1      LEU  61  -1.562   9.487  -0.384
  488   2HD1  LEU  61          3HD1      LEU  61  -2.077   7.969   0.374
  489   3HD1  LEU  61          1HD1      LEU  61  -1.381   7.957  -1.263
  490   1HD2  LEU  61          2HD2      LEU  61  -5.030   7.377  -1.746
  491   2HD2  LEU  61          3HD2      LEU  61  -3.404   6.781  -2.140
  492   3HD2  LEU  61          1HD2      LEU  61  -3.993   6.770  -0.461
  493    H    GLN  62           H        GLN  62  -6.462  11.977   0.694
  494    HA   GLN  62           HA       GLN  62  -7.909  10.483   2.673
  495   1HB   GLN  62          1HB       GLN  62  -6.928  12.819   2.896
  496   2HB   GLN  62          2HB       GLN  62  -8.232  13.398   1.876
  497   1HG   GLN  62          1HG       GLN  62  -9.304  11.808   4.098
  498   2HG   GLN  62          2HG       GLN  62  -8.236  13.079   4.684
  499   1HE2  GLN  62          2HE2      GLN  62 -11.945  14.102   3.401
  500   2HE2  GLN  62          1HE2      GLN  62 -11.467  12.472   3.751
  501    H    GLN  63           H        GLN  63  -8.841  12.174  -0.270
  502    HA   GLN  63           HA       GLN  63 -11.638  11.508   0.009
  503   1HB   GLN  63          1HB       GLN  63 -10.315  13.427  -1.307
  504   2HB   GLN  63          2HB       GLN  63 -10.332  12.275  -2.615
  505   1HG   GLN  63          1HG       GLN  63 -12.756  12.163  -2.608
  506   2HG   GLN  63          2HG       GLN  63 -12.856  13.051  -1.085
  507   1HE2  GLN  63          2HE2      GLN  63 -13.195  16.153  -2.696
  508   2HE2  GLN  63          1HE2      GLN  63 -13.338  15.202  -1.249
  509    H    LEU  64           H        LEU  64  -8.974  10.290  -1.960
  510    HA   LEU  64           HA       LEU  64 -10.427   8.438  -3.528
  511   1HB   LEU  64          1HB       LEU  64  -8.412   9.161  -4.402
  512   2HB   LEU  64          2HB       LEU  64  -7.548   8.886  -2.902
  513    HG   LEU  64           HG       LEU  64  -7.668   6.398  -3.319
  514   1HD1  LEU  64          1HD1      LEU  64  -9.451   6.432  -5.085
  515   2HD1  LEU  64          2HD1      LEU  64  -8.369   7.328  -6.158
  516   3HD1  LEU  64          3HD1      LEU  64  -7.972   5.671  -5.659
  517   1HD2  LEU  64          3HD2      LEU  64  -5.656   7.955  -3.810
  518   2HD2  LEU  64          1HD2      LEU  64  -5.706   6.357  -4.565
  519   3HD2  LEU  64          2HD2      LEU  64  -6.101   7.768  -5.519
  520    H    THR  65           H        THR  65  -9.111   7.897  -0.210
  521    HA   THR  65           HA       THR  65 -10.620   5.349  -0.403
  522    HB   THR  65           HB       THR  65  -9.126   4.040   0.682
  523    HG1  THR  65           HG1      THR  65  -8.444   4.990   2.400
  524   1HG2  THR  65          3HG2      THR  65  -8.229   4.584  -1.549
  525   2HG2  THR  65          1HG2      THR  65  -7.270   5.918  -0.848
  526   3HG2  THR  65          2HG2      THR  65  -6.932   4.251  -0.387
  527    H    GLY  66           H        GLY  66  -9.171   7.299   2.267
  528   1HA   GLY  66          1HA       GLY  66 -11.771   8.023   3.324
  529   2HA   GLY  66          2HA       GLY  66 -11.168   6.549   4.072
  530    H    ALA  67           H        ALA  67  -8.230   7.738   3.824
  531    HA   ALA  67           HA       ALA  67  -8.462   9.961   5.749
  532   1HB   ALA  67          3HB       ALA  67  -8.300   7.875   7.100
  533   2HB   ALA  67          1HB       ALA  67  -6.810   7.435   6.236
  534   3HB   ALA  67          2HB       ALA  67  -6.854   8.886   7.266
  535    H    ARG  68           H        ARG  68  -6.483  11.189   5.908
  536    HA   ARG  68           HA       ARG  68  -4.859  11.214   3.464
  537   1HB   ARG  68          1HB       ARG  68  -3.766  13.100   4.381
  538   2HB   ARG  68          2HB       ARG  68  -5.470  13.256   4.778
  539   1HG   ARG  68          1HG       ARG  68  -4.682  12.094   7.078
  540   2HG   ARG  68          2HG       ARG  68  -3.107  12.717   6.591
  541   1HD   ARG  68          1HD       ARG  68  -5.681  14.344   6.886
  542   2HD   ARG  68          2HD       ARG  68  -4.376  14.268   8.084
  543    HE   ARG  68           HE       ARG  68  -3.005  15.088   5.921
  544   1HH1  ARG  68          2HH2      ARG  68  -6.130  16.427   7.139
  545   2HH1  ARG  68          1HH2      ARG  68  -5.692  18.028   6.721
  546   1HH2  ARG  68          2HH1      ARG  68  -2.553  17.081   5.350
  547   2HH2  ARG  68          1HH1      ARG  68  -3.637  18.441   5.616
  548    H    THR  69           H        THR  69  -4.644   9.752   6.705
  549    HA   THR  69           HA       THR  69  -1.903   9.768   6.998
  550    HB   THR  69           HB       THR  69  -2.409   7.880   8.622
  551    HG1  THR  69           HG1      THR  69  -4.215   7.007   7.498
  552   1HG2  THR  69          3HG2      THR  69  -2.604  10.304   9.254
  553   2HG2  THR  69          1HG2      THR  69  -4.319  10.260   8.804
  554   3HG2  THR  69          2HG2      THR  69  -3.725   9.262  10.142
  555    H    VAL  70           H        VAL  70  -0.230   8.494   6.415
  556    HA   VAL  70           HA       VAL  70  -0.648   6.254   4.536
  557    HB   VAL  70           HB       VAL  70   2.031   6.582   4.538
  558   1HG1  VAL  70          2HG1      VAL  70  -0.105   8.068   2.999
  559   2HG1  VAL  70          3HG1      VAL  70   1.614   8.301   2.679
  560   3HG1  VAL  70          1HG1      VAL  70   0.896   6.683   2.526
  561   1HG2  VAL  70          2HG2      VAL  70   1.987   8.423   6.286
  562   2HG2  VAL  70          3HG2      VAL  70   2.743   8.878   4.752
  563   3HG2  VAL  70          1HG2      VAL  70   1.116   9.448   5.122
  564    HA   PRO  71           HA       PRO  71   1.528   4.453   4.167
  565   1HB   PRO  71          1HB       PRO  71   1.071   1.732   4.461
  566   2HB   PRO  71          2HB       PRO  71   2.562   2.561   4.949
  567   1HG   PRO  71          1HG       PRO  71   0.195   1.790   6.664
  568   2HG   PRO  71          2HG       PRO  71   1.941   1.631   7.035
  569   1HD   PRO  71          1HD       PRO  71   0.455   3.659   8.025
  570   2HD   PRO  71          2HD       PRO  71   2.160   3.895   7.552
  571    H    ARG  72           H        ARG  72   0.343   3.216   2.396
  572    HA   ARG  72           HA       ARG  72  -2.498   2.713   3.000
  573   1HB   ARG  72          1HB       ARG  72  -2.086   5.134   2.003
  574   2HB   ARG  72          2HB       ARG  72  -1.799   4.292   0.493
  575   1HG   ARG  72          1HG       ARG  72  -4.119   4.845   0.521
  576   2HG   ARG  72          2HG       ARG  72  -4.009   3.116   0.772
  577   1HD   ARG  72          1HD       ARG  72  -5.712   4.200   2.258
  578   2HD   ARG  72          2HD       ARG  72  -4.446   3.427   3.201
  579    HE   ARG  72           HE       ARG  72  -3.657   5.459   3.923
  580   1HH1  ARG  72          2HH2      ARG  72  -6.304   6.078   1.643
  581   2HH1  ARG  72          1HH2      ARG  72  -6.039   7.762   1.555
  582   1HH2  ARG  72          2HH1      ARG  72  -3.261   7.653   3.765
  583   2HH2  ARG  72          1HH1      ARG  72  -4.281   8.689   2.829
  584    H    VAL  73           H        VAL  73  -2.691   0.597   2.505
  585    HA   VAL  73           HA       VAL  73  -1.050  -0.521   0.303
  586    HB   VAL  73           HB       VAL  73  -2.761  -1.715   2.510
  587   1HG1  VAL  73          1HG1      VAL  73  -1.388  -3.210   0.209
  588   2HG1  VAL  73          2HG1      VAL  73  -2.082  -3.982   1.647
  589   3HG1  VAL  73          3HG1      VAL  73  -3.126  -3.144   0.522
  590   1HG2  VAL  73          3HG2      VAL  73   0.215  -1.765   1.949
  591   2HG2  VAL  73          1HG2      VAL  73  -0.628  -1.005   3.321
  592   3HG2  VAL  73          2HG2      VAL  73  -0.584  -2.752   3.148
  593    H    PHE  74           H        PHE  74  -1.932  -0.936  -1.706
  594    HA   PHE  74           HA       PHE  74  -4.839  -1.312  -1.847
  595   1HB   PHE  74          1HB       PHE  74  -2.936  -0.279  -3.980
  596   2HB   PHE  74          2HB       PHE  74  -4.567  -0.835  -4.261
  597    HD1  PHE  74          2HD       PHE  74  -2.659   1.738  -2.268
  598    HD2  PHE  74          1HD       PHE  74  -6.335   0.729  -4.298
  599    HE1  PHE  74          2HE       PHE  74  -3.509   4.044  -1.914
  600    HE2  PHE  74          1HE       PHE  74  -7.160   3.025  -3.949
  601    HZ   PHE  74           HZ       PHE  74  -5.751   4.693  -2.759
  602    H    ILE  75           H        ILE  75  -5.443  -3.198  -2.758
  603    HA   ILE  75           HA       ILE  75  -3.402  -5.146  -3.663
  604    HB   ILE  75           HB       ILE  75  -5.176  -5.283  -1.308
  605   1HG1  ILE  75          1HG1      ILE  75  -3.766  -7.491  -1.044
  606   2HG1  ILE  75          2HG1      ILE  75  -2.784  -6.776  -2.332
  607   1HG2  ILE  75          2HG2      ILE  75  -5.280  -7.560  -3.330
  608   2HG2  ILE  75          3HG2      ILE  75  -5.888  -7.657  -1.692
  609   3HG2  ILE  75          1HG2      ILE  75  -6.671  -6.572  -2.811
  610   1HD1  ILE  75          1HD1      ILE  75  -2.474  -4.832  -0.853
  611   2HD1  ILE  75          2HD1      ILE  75  -3.283  -5.749   0.457
  612   3HD1  ILE  75          3HD1      ILE  75  -1.776  -6.338  -0.248
  613    H    GLY  76           H        GLY  76  -3.778  -5.257  -5.813
  614   1HA   GLY  76          1HA       GLY  76  -4.886  -5.419  -7.817
  615   2HA   GLY  76          2HA       GLY  76  -6.209  -6.185  -6.920
  616    H    LYS  77           H        LYS  77  -4.832  -2.941  -7.253
  617    HA   LYS  77           HA       LYS  77  -5.744  -0.910  -7.087
  618   1HB   LYS  77          1HB       LYS  77  -6.341  -1.980  -9.579
  619   2HB   LYS  77          2HB       LYS  77  -7.867  -1.273  -9.083
  620   1HG   LYS  77          1HG       LYS  77  -6.139   0.752  -8.347
  621   2HG   LYS  77          2HG       LYS  77  -5.195  -0.017  -9.619
  622   1HD   LYS  77          1HD       LYS  77  -6.325   1.721 -10.648
  623   2HD   LYS  77          2HD       LYS  77  -7.259   0.299 -11.126
  624   1HE   LYS  77          1HE       LYS  77  -8.922   0.801  -9.327
  625   2HE   LYS  77          2HE       LYS  77  -7.919   2.144  -8.770
  626   1HZ   LYS  77          1HZ       LYS  77  -8.266   3.122 -11.037
  627   2HZ   LYS  77          2HZ       LYS  77  -9.419   1.962 -11.284
  628   3HZ   LYS  77          3HZ       LYS  77  -9.617   3.050 -10.071
  629    H    ASP  78           H        ASP  78  -7.040  -2.691  -5.046
  630    HA   ASP  78           HA       ASP  78  -9.052  -0.589  -4.487
  631   1HB   ASP  78          1HB       ASP  78 -10.205  -2.698  -5.024
  632   2HB   ASP  78          2HB       ASP  78  -9.284  -3.534  -3.763
  633    H    CYS  79           H        CYS  79  -8.853   0.295  -2.442
  634    HA   CYS  79           HA       CYS  79  -6.344  -0.210  -1.039
  635   1HB   CYS  79          1HB       CYS  79  -7.428   2.064  -1.293
  636   2HB   CYS  79          2HB       CYS  79  -8.658   1.545  -0.129
  637    HG   CYS  79           HG       CYS  79  -5.413   1.201   0.379
  638    H    ILE  80           H        ILE  80  -6.130  -1.231   1.156
  639    HA   ILE  80           HA       ILE  80  -8.562  -2.621   2.048
  640    HB   ILE  80           HB       ILE  80  -7.092  -4.097   3.088
  641   1HG1  ILE  80          1HG1      ILE  80  -4.611  -4.058   2.771
  642   2HG1  ILE  80          2HG1      ILE  80  -4.760  -2.396   2.190
  643   1HG2  ILE  80          1HG2      ILE  80  -7.523  -4.401   0.655
  644   2HG2  ILE  80          2HG2      ILE  80  -5.983  -3.603   0.296
  645   3HG2  ILE  80          3HG2      ILE  80  -5.985  -5.123   1.190
  646   1HD1  ILE  80          3HD1      ILE  80  -5.932  -3.022   4.883
  647   2HD1  ILE  80          1HD1      ILE  80  -4.181  -3.035   4.745
  648   3HD1  ILE  80          2HD1      ILE  80  -5.059  -1.577   4.331
  649    H    GLY  81           H        GLY  81  -6.704   0.187   2.675
  650   1HA   GLY  81          1HA       GLY  81  -7.544   1.558   4.611
  651   2HA   GLY  81          2HA       GLY  81  -7.200   0.117   5.593
  652    H    GLY  82           H        GLY  82  -5.678   1.560   6.718
  653   1HA   GLY  82          1HA       GLY  82  -3.234   2.295   5.169
  654   2HA   GLY  82          2HA       GLY  82  -3.800   3.107   6.633
  655    H    CYS  83           H        CYS  83  -3.317   2.168   8.666
  656    HA   CYS  83           HA       CYS  83  -1.278   0.010   8.516
  657   1HB   CYS  83          1HB       CYS  83  -1.039   2.560   9.609
  658   2HB   CYS  83          2HB       CYS  83  -1.313   1.517  11.020
  659    HG   CYS  83           HG       CYS  83   1.200   1.860  10.745
  660    H    SER  84           H        SER  84  -3.884   1.121  10.894
  661    HA   SER  84           HA       SER  84  -3.719  -1.208  12.400
  662   1HB   SER  84          1HB       SER  84  -6.282   0.348  11.901
  663   2HB   SER  84          2HB       SER  84  -5.895  -0.640  13.312
  664    HG   SER  84           HG       SER  84  -4.213   0.812  13.795
  665    H    ASP  85           H        ASP  85  -5.689  -0.646   9.476
  666    HA   ASP  85           HA       ASP  85  -7.090  -3.180   9.588
  667   1HB   ASP  85          1HB       ASP  85  -6.948  -0.868   7.792
  668   2HB   ASP  85          2HB       ASP  85  -6.863  -2.334   6.857
  669    H    LEU  86           H        LEU  86  -4.075  -2.077   8.067
  670    HA   LEU  86           HA       LEU  86  -3.550  -4.509   6.659
  671   1HB   LEU  86          1HB       LEU  86  -2.674  -2.189   6.206
  672   2HB   LEU  86          2HB       LEU  86  -1.599  -2.359   7.575
  673    HG   LEU  86           HG       LEU  86  -0.625  -2.672   5.321
  674   1HD1  LEU  86          2HD1      LEU  86   0.408  -3.595   7.397
  675   2HD1  LEU  86          3HD1      LEU  86  -0.244  -5.183   6.927
  676   3HD1  LEU  86          1HD1      LEU  86   0.909  -4.333   5.881
  677   1HD2  LEU  86          2HD2      LEU  86  -2.376  -3.965   4.161
  678   2HD2  LEU  86          3HD2      LEU  86  -0.857  -4.850   4.149
  679   3HD2  LEU  86          1HD2      LEU  86  -2.122  -5.332   5.274
  680    H    VAL  87           H        VAL  87  -2.738  -3.345   9.989
  681    HA   VAL  87           HA       VAL  87  -1.135  -5.555  10.670
  682    HB   VAL  87           HB       VAL  87  -2.614  -3.323  12.101
  683   1HG1  VAL  87          2HG1      VAL  87  -1.051  -5.551  13.423
  684   2HG1  VAL  87          3HG1      VAL  87  -1.547  -4.017  14.198
  685   3HG1  VAL  87          1HG1      VAL  87  -2.779  -5.163  13.653
  686   1HG2  VAL  87          1HG2      VAL  87  -0.499  -2.844  10.895
  687   2HG2  VAL  87          2HG2      VAL  87  -0.301  -2.626  12.628
  688   3HG2  VAL  87          3HG2      VAL  87   0.335  -4.084  11.851
  689    H    SER  88           H        SER  88  -4.822  -4.991  11.081
  690    HA   SER  88           HA       SER  88  -5.001  -7.575  12.347
  691   1HB   SER  88          1HB       SER  88  -7.365  -7.605  11.477
  692   2HB   SER  88          2HB       SER  88  -6.945  -6.391  12.688
  693    HG   SER  88           HG       SER  88  -8.112  -5.334  11.119
  694    H    LEU  89           H        LEU  89  -5.186  -6.542   8.939
  695    HA   LEU  89           HA       LEU  89  -5.819  -9.093   7.915
  696   1HB   LEU  89          1HB       LEU  89  -4.112  -6.894   6.743
  697   2HB   LEU  89          2HB       LEU  89  -4.533  -8.328   5.870
  698    HG   LEU  89           HG       LEU  89  -6.855  -6.809   6.965
  699   1HD1  LEU  89          1HD1      LEU  89  -5.335  -5.956   4.450
  700   2HD1  LEU  89          2HD1      LEU  89  -6.916  -5.342   5.017
  701   3HD1  LEU  89          3HD1      LEU  89  -5.470  -5.031   5.954
  702   1HD2  LEU  89          2HD2      LEU  89  -7.088  -8.937   5.584
  703   2HD2  LEU  89          3HD2      LEU  89  -7.911  -7.548   4.899
  704   3HD2  LEU  89          1HD2      LEU  89  -6.345  -8.098   4.238
  705    H    GLN  90           H        GLN  90  -2.531  -7.772   8.878
  706    HA   GLN  90           HA       GLN  90  -1.292 -10.277   8.141
  707   1HB   GLN  90          1HB       GLN  90  -0.073  -8.121   8.274
  708   2HB   GLN  90          2HB       GLN  90  -0.269  -8.115  10.015
  709   1HG   GLN  90          1HG       GLN  90   0.838 -10.705   9.208
  710   2HG   GLN  90          2HG       GLN  90   1.752  -9.450   8.424
  711   1HE2  GLN  90          2HE2      GLN  90   3.716  -9.277  11.387
  712   2HE2  GLN  90          1HE2      GLN  90   3.696  -9.693   9.689
  713    H    GLN  91           H        GLN  91  -2.209  -8.965  11.466
  714    HA   GLN  91           HA       GLN  91  -1.308 -11.155  12.887
  715   1HB   GLN  91          1HB       GLN  91  -2.470  -8.608  13.302
  716   2HB   GLN  91          2HB       GLN  91  -3.570  -9.702  14.087
  717   1HG   GLN  91          1HG       GLN  91  -0.548  -9.817  14.470
  718   2HG   GLN  91          2HG       GLN  91  -1.566  -8.665  15.290
  719   1HE2  GLN  91          2HE2      GLN  91  -1.119 -11.686  17.534
  720   2HE2  GLN  91          1HE2      GLN  91  -0.014 -10.571  16.746
  721    H    SER  92           H        SER  92  -4.668 -10.435  11.824
  722    HA   SER  92           HA       SER  92  -5.733 -12.965  12.769
  723   1HB   SER  92          1HB       SER  92  -6.878 -10.643  12.473
  724   2HB   SER  92          2HB       SER  92  -6.971 -11.061  10.754
  725    HG   SER  92           HG       SER  92  -8.423 -12.574  11.173
  726    H    GLY  93           H        GLY  93  -3.644 -12.177  10.195
  727   1HA   GLY  93          1HA       GLY  93  -2.929 -13.330   8.405
  728   2HA   GLY  93          2HA       GLY  93  -3.935 -14.694   8.912
  729    H    GLU  94           H        GLU  94  -5.847 -11.727   8.456
  730    HA   GLU  94           HA       GLU  94  -7.163 -13.042   6.269
  731   1HB   GLU  94          1HB       GLU  94  -8.131 -11.489   8.071
  732   2HB   GLU  94          2HB       GLU  94  -7.489 -10.161   7.176
  733   1HG   GLU  94          1HG       GLU  94  -9.783 -10.438   6.500
  734   2HG   GLU  94          2HG       GLU  94  -8.818 -11.000   5.140
  735    H    LEU  95           H        LEU  95  -4.452 -10.847   6.445
  736    HA   LEU  95           HA       LEU  95  -4.417  -9.635   3.947
  737   1HB   LEU  95          1HB       LEU  95  -2.763  -9.561   6.006
  738   2HB   LEU  95          2HB       LEU  95  -1.881 -10.771   5.153
  739    HG   LEU  95           HG       LEU  95  -1.222  -9.231   3.485
  740   1HD1  LEU  95          1HD1      LEU  95  -3.383  -8.133   2.908
  741   2HD1  LEU  95          2HD1      LEU  95  -3.294  -7.200   4.416
  742   3HD1  LEU  95          3HD1      LEU  95  -2.092  -6.970   3.149
  743   1HD2  LEU  95          3HD2      LEU  95  -0.190  -8.823   5.708
  744   2HD2  LEU  95          1HD2      LEU  95  -0.314  -7.318   4.794
  745   3HD2  LEU  95          2HD2      LEU  95  -1.460  -7.651   6.090
  746    H    LEU  96           H        LEU  96  -3.586 -13.017   4.768
  747    HA   LEU  96           HA       LEU  96  -2.296 -13.537   2.247
  748   1HB   LEU  96          1HB       LEU  96  -3.589 -15.391   4.310
  749   2HB   LEU  96          2HB       LEU  96  -2.836 -15.977   2.845
  750    HG   LEU  96           HG       LEU  96  -1.336 -16.263   4.676
  751   1HD1  LEU  96          2HD1      LEU  96  -0.326 -15.761   2.506
  752   2HD1  LEU  96          3HD1      LEU  96  -0.300 -14.024   2.883
  753   3HD1  LEU  96          1HD1      LEU  96   0.670 -15.164   3.818
  754   1HD2  LEU  96          1HD2      LEU  96  -2.153 -14.401   6.135
  755   2HD2  LEU  96          2HD2      LEU  96  -0.399 -14.540   6.033
  756   3HD2  LEU  96          3HD2      LEU  96  -1.217 -13.259   5.134
  757    H    THR  97           H        THR  97  -5.672 -14.115   3.373
  758    HA   THR  97           HA       THR  97  -6.617 -15.120   0.885
  759    HB   THR  97           HB       THR  97  -8.069 -13.674   3.161
  760    HG1  THR  97           HG1      THR  97  -8.352 -16.153   3.543
  761   1HG2  THR  97          3HG2      THR  97  -9.038 -15.726   1.125
  762   2HG2  THR  97          1HG2      THR  97  -9.989 -15.086   2.490
  763   3HG2  THR  97          2HG2      THR  97  -9.497 -14.010   1.181
  764    H    ARG  98           H        ARG  98  -6.602 -11.839   2.311
  765    HA   ARG  98           HA       ARG  98  -7.812 -10.306   0.305
  766   1HB   ARG  98          1HB       ARG  98  -7.242  -9.474   2.470
  767   2HB   ARG  98          2HB       ARG  98  -5.533  -9.732   2.165
  768   1HG   ARG  98          1HG       ARG  98  -5.936  -7.426   1.957
  769   2HG   ARG  98          2HG       ARG  98  -5.562  -8.092   0.372
  770   1HD   ARG  98          1HD       ARG  98  -7.323  -6.561  -0.006
  771   2HD   ARG  98          2HD       ARG  98  -8.056  -8.133  -0.080
  772    HE   ARG  98           HE       ARG  98  -8.065  -6.556   2.479
  773   1HH1  ARG  98          2HH2      ARG  98 -10.051  -8.016  -0.123
  774   2HH1  ARG  98          1HH2      ARG  98 -11.519  -7.478   0.616
  775   1HH2  ARG  98          2HH1      ARG  98 -10.105  -5.801   3.342
  776   2HH2  ARG  98          1HH1      ARG  98 -11.545  -6.252   2.495
  777    H    LEU  99           H        LEU  99  -4.255 -11.133   0.477
  778    HA   LEU  99           HA       LEU  99  -3.799 -10.099  -2.154
  779   1HB   LEU  99          1HB       LEU  99  -2.248 -11.768  -0.114
  780   2HB   LEU  99          2HB       LEU  99  -1.664 -11.574  -1.752
  781    HG   LEU  99           HG       LEU  99  -2.047  -9.040  -1.425
  782   1HD1  LEU  99          1HD1      LEU  99  -1.686  -9.889   1.448
  783   2HD1  LEU  99          2HD1      LEU  99  -1.546  -8.235   0.863
  784   3HD1  LEU  99          3HD1      LEU  99  -3.114  -9.056   0.782
  785   1HD2  LEU  99          3HD2      LEU  99   0.152 -10.601  -0.041
  786   2HD2  LEU  99          1HD2      LEU  99   0.133 -10.122  -1.753
  787   3HD2  LEU  99          2HD2      LEU  99   0.280  -8.882  -0.489
  788    H    LYS 100           H        LYS 100  -4.574 -13.445  -1.044
  789    HA   LYS 100           HA       LYS 100  -3.893 -14.661  -3.546
  790   1HB   LYS 100          1HB       LYS 100  -5.858 -15.325  -1.348
  791   2HB   LYS 100          2HB       LYS 100  -5.859 -16.244  -2.848
  792   1HG   LYS 100          1HG       LYS 100  -3.337 -16.576  -2.552
  793   2HG   LYS 100          2HG       LYS 100  -3.525 -15.922  -0.925
  794   1HD   LYS 100          1HD       LYS 100  -4.901 -18.376  -2.113
  795   2HD   LYS 100          2HD       LYS 100  -3.643 -18.401  -0.873
  796   1HE   LYS 100          1HE       LYS 100  -5.178 -17.213   0.696
  797   2HE   LYS 100          2HE       LYS 100  -6.434 -17.193  -0.559
  798   1HZ   LYS 100          2HZ       LYS 100  -6.356 -19.625  -0.551
  799   2HZ   LYS 100          3HZ       LYS 100  -5.327 -19.597   0.728
  800   3HZ   LYS 100          1HZ       LYS 100  -6.847 -18.994   0.893
  801    H    GLN 101           H        GLN 101  -6.761 -12.817  -2.582
  802    HA   GLN 101           HA       GLN 101  -8.401 -13.300  -4.750
  803   1HB   GLN 101          1HB       GLN 101  -8.608 -11.743  -2.598
  804   2HB   GLN 101          2HB       GLN 101  -8.036 -10.491  -3.696
  805   1HG   GLN 101          1HG       GLN 101 -10.353 -10.316  -3.777
  806   2HG   GLN 101          2HG       GLN 101  -9.982 -11.192  -5.257
  807   1HE2  GLN 101          2HE2      GLN 101 -12.926 -12.743  -3.411
  808   2HE2  GLN 101          1HE2      GLN 101 -12.535 -11.164  -4.041
  809    H    ILE 102           H        ILE 102  -5.273 -11.636  -4.896
  810    HA   ILE 102           HA       ILE 102  -5.916 -10.772  -7.680
  811    HB   ILE 102           HB       ILE 102  -4.529  -8.923  -7.424
  812   1HG1  ILE 102          1HG1      ILE 102  -3.745  -9.001  -4.594
  813   2HG1  ILE 102          2HG1      ILE 102  -3.187 -10.424  -5.411
  814   1HG2  ILE 102          3HG2      ILE 102  -6.763  -8.744  -6.385
  815   2HG2  ILE 102          1HG2      ILE 102  -6.071  -9.197  -4.806
  816   3HG2  ILE 102          2HG2      ILE 102  -5.549  -7.709  -5.585
  817   1HD1  ILE 102          1HD1      ILE 102  -2.138  -9.051  -7.181
  818   2HD1  ILE 102          2HD1      ILE 102  -2.652  -7.589  -6.298
  819   3HD1  ILE 102          3HD1      ILE 102  -1.485  -8.724  -5.575
  820    H    GLY 103           H        GLY 103  -4.639 -13.390  -6.443
  821   1HA   GLY 103          1HA       GLY 103  -3.330 -14.957  -7.500
  822   2HA   GLY 103          2HA       GLY 103  -2.973 -13.782  -8.765
  823    H    ALA 104           H        ALA 104  -2.287 -13.790  -5.251
  824    HA   ALA 104           HA       ALA 104   0.498 -12.862  -5.760
  825   1HB   ALA 104          3HB       ALA 104  -1.245 -13.189  -3.239
  826   2HB   ALA 104          1HB       ALA 104   0.356 -12.433  -3.278
  827   3HB   ALA 104          2HB       ALA 104  -1.019 -11.669  -4.122
  828    H    LEU 105           H        LEU 105  -0.834 -15.337  -3.315
  829    HA   LEU 105           HA       LEU 105   1.841 -15.841  -2.840
  830   1HB   LEU 105          1HB       LEU 105  -0.235 -17.897  -2.249
  831   2HB   LEU 105          2HB       LEU 105   1.168 -17.422  -1.350
  832    HG   LEU 105           HG       LEU 105  -1.333 -15.752  -1.526
  833   1HD1  LEU 105          1HD1      LEU 105  -1.520 -17.889  -0.217
  834   2HD1  LEU 105          2HD1      LEU 105  -0.185 -17.354   0.799
  835   3HD1  LEU 105          3HD1      LEU 105  -1.716 -16.438   0.776
  836   1HD2  LEU 105          3HD2      LEU 105   1.200 -15.321   0.113
  837   2HD2  LEU 105          1HD2      LEU 105   0.646 -14.317  -1.237
  838   3HD2  LEU 105          2HD2      LEU 105  -0.304 -14.379   0.252
  839    H    GLN 106           H        GLN 106   3.187 -17.286  -3.482
  840    HA   GLN 106           HA       GLN 106   2.894 -19.008  -5.797
  841   1HB   GLN 106          2HB       GLN 106   5.077 -18.099  -5.095
  842   2HB   GLN 106          3HB       GLN 106   4.974 -18.986  -3.563
  843   1HG   GLN 106          2HG       GLN 106   5.115 -21.119  -4.709
  844   2HG   GLN 106          3HG       GLN 106   4.921 -20.352  -6.286
  845   1HE2  GLN 106          2HE2      GLN 106   8.603 -20.195  -4.421
  846   2HE2  GLN 106          1HE2      GLN 106   7.191 -20.765  -3.554
   
  No H/Q in entry =         846
  Start of MODEL    5
    1   1H    ALA   2          2H        ALA   2  -0.576  14.760  -9.121
    2   2H    ALA   2          3H        ALA   2  -1.934  15.271  -8.325
    3   3H    ALA   2          1H        ALA   2  -0.466  15.485  -7.648
    4    HA   ALA   2           HA       ALA   2  -0.133  13.127  -7.470
    5   1HB   ALA   2          2HB       ALA   2  -2.702  14.153  -6.202
    6   2HB   ALA   2          3HB       ALA   2  -1.836  12.687  -5.734
    7   3HB   ALA   2          1HB       ALA   2  -1.059  14.284  -5.546
    8    H    GLN   3           H        GLN   3  -3.316  13.929  -8.941
    9    HA   GLN   3           HA       GLN   3  -4.349  11.360  -9.168
   10   1HB   GLN   3          1HB       GLN   3  -6.004  12.430 -10.609
   11   2HB   GLN   3          2HB       GLN   3  -5.646  13.390  -9.184
   12   1HG   GLN   3          1HG       GLN   3  -3.969  14.717 -10.707
   13   2HG   GLN   3          2HG       GLN   3  -4.802  13.945 -12.051
   14   1HE2  GLN   3          2HE2      GLN   3  -6.335  17.268 -11.624
   15   2HE2  GLN   3          1HE2      GLN   3  -4.720  16.655 -11.905
   16    H    GLU   4           H        GLU   4  -1.808  10.862 -10.052
   17    HA   GLU   4           HA       GLU   4  -2.441   9.457 -12.473
   18   1HB   GLU   4          1HB       GLU   4  -1.662  11.924 -13.135
   19   2HB   GLU   4          2HB       GLU   4  -0.051  11.306 -12.806
   20   1HG   GLU   4          1HG       GLU   4  -0.351   9.516 -14.447
   21   2HG   GLU   4          2HG       GLU   4  -2.065   9.935 -14.653
   22    H    PHE   5           H        PHE   5   0.394  10.745 -10.603
   23    HA   PHE   5           HA       PHE   5   1.924   8.393 -10.901
   24   1HB   PHE   5          1HB       PHE   5   2.819  10.570 -10.112
   25   2HB   PHE   5          2HB       PHE   5   1.985  10.363  -8.576
   26    HD1  PHE   5          2HD       PHE   5   4.369   8.549 -10.867
   27    HD2  PHE   5          1HD       PHE   5   3.211   9.364  -6.796
   28    HE1  PHE   5          2HE       PHE   5   6.296   7.222 -10.040
   29    HE2  PHE   5          1HE       PHE   5   5.177   8.102  -5.981
   30    HZ   PHE   5           HZ       PHE   5   6.684   6.957  -7.612
   31    H    VAL   6           H        VAL   6  -0.474   9.258  -8.387
   32    HA   VAL   6           HA       VAL   6  -0.184   6.702  -7.024
   33    HB   VAL   6           HB       VAL   6  -2.249   8.919  -6.960
   34   1HG1  VAL   6          3HG1      VAL   6  -2.338   6.350  -5.330
   35   2HG1  VAL   6          1HG1      VAL   6  -3.334   7.785  -5.060
   36   3HG1  VAL   6          2HG1      VAL   6  -3.521   6.844  -6.548
   37   1HG2  VAL   6          1HG2      VAL   6  -0.011   9.206  -5.789
   38   2HG2  VAL   6          2HG2      VAL   6  -1.421   9.267  -4.711
   39   3HG2  VAL   6          3HG2      VAL   6  -0.411   7.812  -4.781
   40    H    ASN   7           H        ASN   7  -2.661   8.065  -9.246
   41    HA   ASN   7           HA       ASN   7  -4.250   5.784  -9.020
   42   1HB   ASN   7          1HB       ASN   7  -4.670   8.269  -9.995
   43   2HB   ASN   7          2HB       ASN   7  -4.488   7.425 -11.533
   44   1HD2  ASN   7          2HD2      ASN   7  -7.995   7.232  -9.669
   45   2HD2  ASN   7          1HD2      ASN   7  -6.872   8.558  -9.652
   46    H    CYS   8           H        CYS   8  -1.900   6.534 -11.643
   47    HA   CYS   8           HA       CYS   8  -2.597   4.186 -13.169
   48   1HB   CYS   8          1HB       CYS   8  -0.160   6.007 -13.306
   49   2HB   CYS   8          2HB       CYS   8  -0.653   4.823 -14.529
   50    HG   CYS   8           HG       CYS   8  -3.207   5.981 -14.596
   51    H    LYS   9           H        LYS   9  -0.594   4.550 -10.306
   52    HA   LYS   9           HA       LYS   9   1.316   2.478 -11.057
   53   1HB   LYS   9          1HB       LYS   9   0.614   3.896  -8.472
   54   2HB   LYS   9          2HB       LYS   9   1.571   2.429  -8.410
   55   1HG   LYS   9          1HG       LYS   9   2.374   4.739 -10.204
   56   2HG   LYS   9          2HG       LYS   9   2.820   4.662  -8.489
   57   1HD   LYS   9          1HD       LYS   9   3.887   2.439  -8.882
   58   2HD   LYS   9          2HD       LYS   9   3.563   2.614 -10.615
   59   1HE   LYS   9          1HE       LYS   9   5.181   4.592  -8.948
   60   2HE   LYS   9          2HE       LYS   9   5.876   3.266  -9.876
   61   1HZ   LYS   9          1HZ       LYS   9   4.889   4.218 -11.874
   62   2HZ   LYS   9          2HZ       LYS   9   4.366   5.528 -11.000
   63   3HZ   LYS   9          3HZ       LYS   9   5.984   5.201 -11.150
   64    H    ILE  10           H        ILE  10  -1.879   2.470  -9.371
   65    HA   ILE  10           HA       ILE  10  -1.376  -0.308  -8.594
   66    HB   ILE  10           HB       ILE  10  -4.063   0.980  -8.261
   67   1HG1  ILE  10          1HG1      ILE  10  -2.926   1.593  -5.833
   68   2HG1  ILE  10          2HG1      ILE  10  -1.639   2.066  -6.923
   69   1HG2  ILE  10          2HG2      ILE  10  -3.603  -1.392  -7.664
   70   2HG2  ILE  10          3HG2      ILE  10  -2.324  -0.880  -6.557
   71   3HG2  ILE  10          1HG2      ILE  10  -4.001  -0.444  -6.218
   72   1HD1  ILE  10          2HD1      ILE  10  -3.379   3.408  -8.221
   73   2HD1  ILE  10          3HD1      ILE  10  -4.571   2.953  -6.989
   74   3HD1  ILE  10          1HD1      ILE  10  -3.184   3.954  -6.544
   75    H    GLN  11           H        GLN  11  -1.974  -2.022  -9.822
   76    HA   GLN  11           HA       GLN  11  -4.039  -1.640 -11.946
   77   1HB   GLN  11          1HB       GLN  11  -1.625  -3.488 -11.758
   78   2HB   GLN  11          2HB       GLN  11  -3.043  -3.963 -12.681
   79   1HG   GLN  11          1HG       GLN  11  -1.511  -2.956 -14.189
   80   2HG   GLN  11          2HG       GLN  11  -2.926  -1.908 -14.025
   81   1HE2  GLN  11          2HE2      GLN  11  -0.937   0.847 -12.938
   82   2HE2  GLN  11          1HE2      GLN  11  -2.431   0.303 -13.657
   83    HA   PRO  12           HA       PRO  12  -6.415  -4.771  -9.683
   84   1HB   PRO  12          1HB       PRO  12  -7.715  -6.072 -11.695
   85   2HB   PRO  12          2HB       PRO  12  -8.127  -4.407 -11.196
   86   1HG   PRO  12          1HG       PRO  12  -6.347  -5.250 -13.498
   87   2HG   PRO  12          2HG       PRO  12  -7.712  -4.085 -13.500
   88   1HD   PRO  12          1HD       PRO  12  -5.133  -3.262 -13.257
   89   2HD   PRO  12          2HD       PRO  12  -6.449  -2.448 -12.370
   90    H    GLY  13           H        GLY  13  -4.176  -5.477  -9.227
   91   1HA   GLY  13          1HA       GLY  13  -3.911  -8.031  -8.681
   92   2HA   GLY  13          2HA       GLY  13  -3.410  -8.028 -10.354
   93    H    LYS  14           H        LYS  14  -2.612  -5.148  -8.475
   94    HA   LYS  14           HA       LYS  14   0.149  -6.166  -8.003
   95   1HB   LYS  14          1HB       LYS  14  -0.481  -4.010  -9.681
   96   2HB   LYS  14          2HB       LYS  14  -0.234  -3.206  -8.138
   97   1HG   LYS  14          1HG       LYS  14   1.976  -4.298  -7.944
   98   2HG   LYS  14          2HG       LYS  14   1.721  -5.148  -9.466
   99   1HD   LYS  14          1HD       LYS  14   1.806  -2.109  -9.163
  100   2HD   LYS  14          2HD       LYS  14   3.229  -3.075  -9.533
  101   1HE   LYS  14          1HE       LYS  14   0.705  -3.088 -11.244
  102   2HE   LYS  14          2HE       LYS  14   2.053  -1.993 -11.520
  103   1HZ   LYS  14          1HZ       LYS  14   2.418  -4.915 -11.503
  104   2HZ   LYS  14          2HZ       LYS  14   2.081  -4.065 -12.867
  105   3HZ   LYS  14          3HZ       LYS  14   3.464  -3.794 -12.027
  106    H    VAL  15           H        VAL  15   1.124  -5.297  -5.977
  107    HA   VAL  15           HA       VAL  15  -0.914  -4.517  -3.987
  108    HB   VAL  15           HB       VAL  15   1.718  -6.011  -3.613
  109   1HG1  VAL  15          1HG1      VAL  15  -0.545  -5.098  -1.845
  110   2HG1  VAL  15          2HG1      VAL  15   0.560  -6.390  -1.308
  111   3HG1  VAL  15          3HG1      VAL  15   1.144  -4.754  -1.635
  112   1HG2  VAL  15          2HG2      VAL  15  -1.082  -7.169  -3.561
  113   2HG2  VAL  15          3HG2      VAL  15   0.162  -7.505  -4.765
  114   3HG2  VAL  15          1HG2      VAL  15   0.429  -7.995  -3.107
  115    H    VAL  16           H        VAL  16  -0.662  -2.276  -4.596
  116    HA   VAL  16           HA       VAL  16   2.106  -1.186  -4.467
  117    HB   VAL  16           HB       VAL  16  -0.564  -0.071  -5.369
  118   1HG1  VAL  16          3HG1      VAL  16   2.061   1.404  -4.984
  119   2HG1  VAL  16          1HG1      VAL  16   0.738   1.992  -6.013
  120   3HG1  VAL  16          2HG1      VAL  16   0.492   1.806  -4.269
  121   1HG2  VAL  16          2HG2      VAL  16   0.832  -1.618  -6.854
  122   2HG2  VAL  16          3HG2      VAL  16   0.604   0.010  -7.520
  123   3HG2  VAL  16          1HG2      VAL  16   2.130  -0.433  -6.758
  124    H    VAL  17           H        VAL  17   2.723   0.181  -2.775
  125    HA   VAL  17           HA       VAL  17   0.685   0.811  -0.725
  126    HB   VAL  17           HB       VAL  17   3.552   0.125  -0.033
  127   1HG1  VAL  17          1HG1      VAL  17   2.265   1.531   1.545
  128   2HG1  VAL  17          2HG1      VAL  17   0.981   0.338   1.589
  129   3HG1  VAL  17          3HG1      VAL  17   2.588  -0.067   2.245
  130   1HG2  VAL  17          2HG2      VAL  17   1.207  -1.803   0.020
  131   2HG2  VAL  17          3HG2      VAL  17   2.679  -1.930  -0.967
  132   3HG2  VAL  17          1HG2      VAL  17   2.811  -2.053   0.775
  133    H    PHE  18           H        PHE  18   0.541   2.975  -0.774
  134    HA   PHE  18           HA       PHE  18   2.810   4.544  -1.858
  135   1HB   PHE  18          1HB       PHE  18   0.121   5.467  -0.740
  136   2HB   PHE  18          2HB       PHE  18   1.335   6.518  -1.485
  137    HD1  PHE  18          1HD       PHE  18   2.105   6.058  -3.861
  138    HD2  PHE  18          2HD       PHE  18  -1.384   4.200  -2.140
  139    HE1  PHE  18          1HE       PHE  18   1.337   5.389  -6.128
  140    HE2  PHE  18          2HE       PHE  18  -2.165   3.577  -4.420
  141    HZ   PHE  18           HZ       PHE  18  -0.815   4.194  -6.401
  142    H    ILE  19           H        ILE  19   4.364   5.342  -0.543
  143    HA   ILE  19           HA       ILE  19   4.003   5.309   2.396
  144    HB   ILE  19           HB       ILE  19   6.258   4.187   2.537
  145   1HG1  ILE  19          1HG1      ILE  19   6.138   3.017  -0.199
  146   2HG1  ILE  19          2HG1      ILE  19   6.570   4.708  -0.169
  147   1HG2  ILE  19          3HG2      ILE  19   4.181   2.874   2.814
  148   2HG2  ILE  19          1HG2      ILE  19   4.310   2.384   1.111
  149   3HG2  ILE  19          2HG2      ILE  19   5.579   1.930   2.269
  150   1HD1  ILE  19          2HD1      ILE  19   8.406   4.288   1.409
  151   2HD1  ILE  19          3HD1      ILE  19   8.019   2.553   1.376
  152   3HD1  ILE  19          1HD1      ILE  19   8.575   3.367  -0.098
  153    H    LYS  20           H        LYS  20   5.957   6.227   3.447
  154    HA   LYS  20           HA       LYS  20   7.668   7.924   1.744
  155   1HB   LYS  20          1HB       LYS  20   8.029   9.285   3.953
  156   2HB   LYS  20          2HB       LYS  20   6.646   9.682   2.922
  157   1HG   LYS  20          1HG       LYS  20   5.103   8.601   4.385
  158   2HG   LYS  20          2HG       LYS  20   6.401   7.755   5.226
  159   1HD   LYS  20          1HD       LYS  20   5.455   9.487   6.600
  160   2HD   LYS  20          2HD       LYS  20   7.153   9.832   6.280
  161   1HE   LYS  20          1HE       LYS  20   6.595  11.636   4.795
  162   2HE   LYS  20          2HE       LYS  20   4.922  11.068   4.625
  163   1HZ   LYS  20          1HZ       LYS  20   6.026  12.115   7.170
  164   2HZ   LYS  20          2HZ       LYS  20   5.074  12.958   6.116
  165   3HZ   LYS  20          3HZ       LYS  20   4.494  11.636   6.884
  166    HA   PRO  21           HA       PRO  21  10.403   5.002   3.630
  167   1HB   PRO  21          1HB       PRO  21  12.857   6.035   3.183
  168   2HB   PRO  21          2HB       PRO  21  11.772   5.495   1.883
  169   1HG   PRO  21          1HG       PRO  21  12.274   8.320   2.807
  170   2HG   PRO  21          2HG       PRO  21  12.173   7.691   1.143
  171   1HD   PRO  21          1HD       PRO  21  10.050   8.868   2.495
  172   2HD   PRO  21          2HD       PRO  21   9.851   7.677   1.173
  173    H    THR  22           H        THR  22   9.597   7.846   5.221
  174    HA   THR  22           HA       THR  22  11.602   7.530   7.363
  175    HB   THR  22           HB       THR  22  11.326   9.948   7.602
  176    HG1  THR  22           HG1      THR  22   9.923  11.021   6.522
  177   1HG2  THR  22          2HG2      THR  22  12.989   9.006   5.897
  178   2HG2  THR  22          3HG2      THR  22  11.767   9.339   4.651
  179   3HG2  THR  22          1HG2      THR  22  12.436  10.665   5.586
  180    H    CYS  23           H        CSN  23   8.167   7.318   6.797
  181    HA   CYS  23           HA       CSN  23   7.434   7.932   9.553
  182   1HB   CYS  23          2HB       CSN  23   5.998   7.155   7.134
  183   2HB   CYS  23          3HB       CSN  23   5.627   6.056   8.406
  184    HA   PRO  24           HA       PRO  24   9.041   3.885  10.883
  185   1HB   PRO  24          1HB       PRO  24   7.943   3.760  13.370
  186   2HB   PRO  24          2HB       PRO  24   9.257   4.908  12.993
  187   1HG   PRO  24          1HG       PRO  24   6.273   5.460  13.040
  188   2HG   PRO  24          2HG       PRO  24   7.583   6.392  13.832
  189   1HD   PRO  24          1HD       PRO  24   6.549   7.087  11.403
  190   2HD   PRO  24          2HD       PRO  24   8.270   7.345  11.800
  191    H    TYR  25           H        TYR  25   5.726   4.981  10.600
  192    HA   TYR  25           HA       TYR  25   4.447   2.471  11.056
  193   1HB   TYR  25          1HB       TYR  25   3.567   4.993   9.589
  194   2HB   TYR  25          2HB       TYR  25   2.487   3.673  10.028
  195    HD1  TYR  25          1HD       TYR  25   3.125   2.962  12.775
  196    HD2  TYR  25          2HD       TYR  25   3.219   6.871  10.916
  197    HE1  TYR  25          1HE       TYR  25   2.969   4.010  14.977
  198    HE2  TYR  25          2HE       TYR  25   2.973   7.909  13.130
  199    HH   TYR  25           HH       TYR  25   3.168   6.014  16.122
  200    H    CYS  26           H        CYS  26   5.520   4.247   8.112
  201    HA   CYS  26           HA       CYS  26   4.638   2.261   6.221
  202   1HB   CYS  26          1HB       CYS  26   6.796   4.416   6.085
  203   2HB   CYS  26          2HB       CYS  26   6.420   3.299   4.768
  204    HG   CYS  26           HG       CYS  26   4.262   5.339   6.264
  205    H    ARG  27           H        ARG  27   7.769   2.842   7.937
  206    HA   ARG  27           HA       ARG  27   9.127   0.653   6.860
  207   1HB   ARG  27          1HB       ARG  27  10.077   2.424   8.413
  208   2HB   ARG  27          2HB       ARG  27   9.375   1.510   9.762
  209   1HG   ARG  27          1HG       ARG  27  10.609  -0.539   8.860
  210   2HG   ARG  27          2HG       ARG  27  11.468   0.526   7.749
  211   1HD   ARG  27          1HD       ARG  27  11.406   0.994  10.746
  212   2HD   ARG  27          2HD       ARG  27  12.530  -0.159  10.006
  213    HE   ARG  27           HE       ARG  27  12.768   2.327   8.657
  214   1HH1  ARG  27          2HH2      ARG  27  13.336   0.960  11.892
  215   2HH1  ARG  27          1HH2      ARG  27  14.819   1.813  12.165
  216   1HH2  ARG  27          2HH1      ARG  27  14.760   3.478   8.988
  217   2HH2  ARG  27          1HH1      ARG  27  15.482   3.459  10.560
  218    H    ARG  28           H        ARG  28   6.924   0.605   9.733
  219    HA   ARG  28           HA       ARG  28   7.109  -2.156  10.269
  220   1HB   ARG  28          1HB       ARG  28   5.727  -0.503  11.606
  221   2HB   ARG  28          2HB       ARG  28   4.526  -0.557  10.347
  222   1HG   ARG  28          1HG       ARG  28   3.579  -2.418  11.188
  223   2HG   ARG  28          2HG       ARG  28   5.047  -3.310  10.930
  224   1HD   ARG  28          1HD       ARG  28   5.822  -2.057  13.201
  225   2HD   ARG  28          2HD       ARG  28   4.075  -1.955  13.448
  226    HE   ARG  28           HE       ARG  28   5.687  -4.449  13.019
  227   1HH1  ARG  28          2HH2      ARG  28   3.042  -2.876  14.916
  228   2HH1  ARG  28          1HH2      ARG  28   2.734  -4.321  15.786
  229   1HH2  ARG  28          2HH1      ARG  28   5.211  -6.236  14.115
  230   2HH2  ARG  28          1HH1      ARG  28   4.004  -6.290  15.363
  231    H    ALA  29           H        ALA  29   4.727  -0.512   8.166
  232    HA   ALA  29           HA       ALA  29   3.498  -2.849   7.180
  233   1HB   ALA  29          2HB       ALA  29   3.930  -0.219   5.726
  234   2HB   ALA  29          3HB       ALA  29   2.898  -1.534   5.136
  235   3HB   ALA  29          1HB       ALA  29   2.501  -0.759   6.673
  236    H    GLN  30           H        GLN  30   6.530  -1.341   6.058
  237    HA   GLN  30           HA       GLN  30   6.850  -3.095   3.815
  238   1HB   GLN  30          1HB       GLN  30   8.484  -1.063   5.275
  239   2HB   GLN  30          2HB       GLN  30   9.422  -2.322   4.466
  240   1HG   GLN  30          1HG       GLN  30   8.645  -1.760   2.354
  241   2HG   GLN  30          2HG       GLN  30   7.102  -1.235   2.986
  242   1HE2  GLN  30          2HE2      GLN  30  10.262   1.414   2.443
  243   2HE2  GLN  30          1HE2      GLN  30  10.363  -0.315   2.169
  244    H    GLU  31           H        GLU  31   7.878  -3.533   7.208
  245    HA   GLU  31           HA       GLU  31   9.185  -6.039   6.358
  246   1HB   GLU  31          1HB       GLU  31   9.442  -6.559   8.759
  247   2HB   GLU  31          2HB       GLU  31  10.139  -4.996   8.340
  248   1HG   GLU  31          1HG       GLU  31   8.308  -3.805   9.346
  249   2HG   GLU  31          2HG       GLU  31   7.407  -5.300   9.656
  250    H    ILE  32           H        ILE  32   6.192  -5.097   7.988
  251    HA   ILE  32           HA       ILE  32   5.030  -7.573   8.355
  252    HB   ILE  32           HB       ILE  32   4.073  -4.795   7.874
  253   1HG1  ILE  32          1HG1      ILE  32   3.706  -6.879  10.078
  254   2HG1  ILE  32          2HG1      ILE  32   4.790  -5.491  10.100
  255   1HG2  ILE  32          1HG2      ILE  32   2.109  -7.057   7.838
  256   2HG2  ILE  32          2HG2      ILE  32   1.715  -5.325   8.061
  257   3HG2  ILE  32          3HG2      ILE  32   2.418  -5.849   6.558
  258   1HD1  ILE  32          1HD1      ILE  32   2.661  -4.032   9.942
  259   2HD1  ILE  32          2HD1      ILE  32   1.758  -5.515  10.319
  260   3HD1  ILE  32          3HD1      ILE  32   2.944  -4.899  11.475
  261    H    LEU  33           H        LEU  33   4.830  -5.539   5.401
  262    HA   LEU  33           HA       LEU  33   3.327  -7.657   4.151
  263   1HB   LEU  33          1HB       LEU  33   4.248  -4.957   3.118
  264   2HB   LEU  33          2HB       LEU  33   3.830  -6.197   1.973
  265    HG   LEU  33           HG       LEU  33   1.891  -5.094   4.057
  266   1HD1  LEU  33          3HD1      LEU  33   2.391  -3.519   2.320
  267   2HD1  LEU  33          1HD1      LEU  33   1.959  -4.720   1.066
  268   3HD1  LEU  33          2HD1      LEU  33   0.737  -4.134   2.195
  269   1HD2  LEU  33          3HD2      LEU  33   1.523  -7.162   1.821
  270   2HD2  LEU  33          1HD2      LEU  33   1.310  -7.442   3.556
  271   3HD2  LEU  33          2HD2      LEU  33   0.192  -6.389   2.701
  272    H    SER  34           H        SER  34   6.783  -6.255   3.838
  273    HA   SER  34           HA       SER  34   7.295  -8.222   1.756
  274   1HB   SER  34          1HB       SER  34   8.418  -5.951   2.056
  275   2HB   SER  34          2HB       SER  34   9.449  -6.789   3.243
  276    HG   SER  34           HG       SER  34   9.914  -8.309   1.597
  277    H    GLN  35           H        GLN  35   6.813  -8.940   4.953
  278    HA   GLN  35           HA       GLN  35   8.844 -10.992   5.312
  279   1HB   GLN  35          1HB       GLN  35   6.336 -10.078   6.697
  280   2HB   GLN  35          2HB       GLN  35   6.948 -11.668   7.082
  281   1HG   GLN  35          1HG       GLN  35   8.978  -9.454   7.137
  282   2HG   GLN  35          2HG       GLN  35   7.720  -9.414   8.371
  283   1HE2  GLN  35          2HE2      GLN  35   9.368 -11.835  10.341
  284   2HE2  GLN  35          1HE2      GLN  35   8.361 -10.389  10.247
  285    H    LEU  36           H        LEU  36   6.021 -10.877   3.283
  286    HA   LEU  36           HA       LEU  36   5.505 -13.754   3.733
  287   1HB   LEU  36          1HB       LEU  36   3.730 -11.369   3.086
  288   2HB   LEU  36          2HB       LEU  36   3.164 -13.027   3.154
  289    HG   LEU  36           HG       LEU  36   4.422 -11.518   5.502
  290   1HD1  LEU  36          2HD1      LEU  36   2.212 -10.651   4.839
  291   2HD1  LEU  36          3HD1      LEU  36   1.534 -12.294   5.035
  292   3HD1  LEU  36          1HD1      LEU  36   2.194 -11.421   6.435
  293   1HD2  LEU  36          1HD2      LEU  36   3.131 -14.281   5.346
  294   2HD2  LEU  36          2HD2      LEU  36   4.813 -13.907   5.794
  295   3HD2  LEU  36          3HD2      LEU  36   3.498 -13.429   6.858
  296    HA   PRO  37           HA       PRO  37   6.388 -14.481  -0.439
  297   1HB   PRO  37          1HB       PRO  37   5.112 -16.826  -0.969
  298   2HB   PRO  37          2HB       PRO  37   6.432 -16.692   0.230
  299   1HG   PRO  37          1HG       PRO  37   3.446 -16.701   0.754
  300   2HG   PRO  37          2HG       PRO  37   4.726 -17.627   1.595
  301   1HD   PRO  37          1HD       PRO  37   3.718 -15.252   2.546
  302   2HD   PRO  37          2HD       PRO  37   5.401 -15.763   2.829
  303    H    ILE  38           H        ILE  38   5.508 -12.733  -1.595
  304    HA   ILE  38           HA       ILE  38   2.741 -13.071  -2.718
  305    HB   ILE  38           HB       ILE  38   4.244 -10.711  -1.518
  306   1HG1  ILE  38          1HG1      ILE  38   1.265 -11.414  -1.381
  307   2HG1  ILE  38          2HG1      ILE  38   2.443 -12.230  -0.367
  308   1HG2  ILE  38          2HG2      ILE  38   2.003 -10.423  -3.591
  309   2HG2  ILE  38          3HG2      ILE  38   2.566  -9.129  -2.533
  310   3HG2  ILE  38          1HG2      ILE  38   3.663  -9.807  -3.714
  311   1HD1  ILE  38          3HD1      ILE  38   3.201 -10.077   0.553
  312   2HD1  ILE  38          1HD1      ILE  38   1.908  -9.259  -0.359
  313   3HD1  ILE  38          2HD1      ILE  38   1.507 -10.452   0.897
  314    H    LYS  39           H        LYS  39   2.644 -12.751  -5.002
  315    HA   LYS  39           HA       LYS  39   4.590 -13.608  -6.411
  316   1HB   LYS  39          1HB       LYS  39   2.173 -12.168  -7.018
  317   2HB   LYS  39          2HB       LYS  39   3.391 -11.865  -8.258
  318   1HG   LYS  39          1HG       LYS  39   2.864 -14.677  -7.292
  319   2HG   LYS  39          2HG       LYS  39   1.777 -13.885  -8.404
  320   1HD   LYS  39          1HD       LYS  39   4.754 -14.346  -8.758
  321   2HD   LYS  39          2HD       LYS  39   3.488 -15.353  -9.472
  322   1HE   LYS  39          1HE       LYS  39   2.721 -13.381 -10.829
  323   2HE   LYS  39          2HE       LYS  39   4.047 -12.425 -10.148
  324   1HZ   LYS  39          3HZ       LYS  39   5.588 -14.079 -11.094
  325   2HZ   LYS  39          1HZ       LYS  39   4.321 -14.804 -11.865
  326   3HZ   LYS  39          2HZ       LYS  39   4.745 -13.250 -12.229
  327    H    GLN  40           H        GLN  40   6.479 -13.048  -7.327
  328    HA   GLN  40           HA       GLN  40   8.036 -11.036  -6.495
  329   1HB   GLN  40          1HB       GLN  40   8.568 -13.132  -7.906
  330   2HB   GLN  40          2HB       GLN  40   8.295 -12.127  -9.321
  331   1HG   GLN  40          1HG       GLN  40  10.395 -11.787  -7.150
  332   2HG   GLN  40          2HG       GLN  40  10.662 -12.247  -8.831
  333   1HE2  GLN  40          2HE2      GLN  40  11.059  -8.419  -7.958
  334   2HE2  GLN  40          1HE2      GLN  40  11.186  -9.743  -6.814
  335    H    GLY  41           H        GLY  41   7.846  -8.900  -6.555
  336   1HA   GLY  41          1HA       GLY  41   7.830  -6.803  -7.451
  337   2HA   GLY  41          2HA       GLY  41   7.575  -7.484  -9.049
  338    H    LEU  42           H        LEU  42   4.992  -8.625  -6.874
  339    HA   LEU  42           HA       LEU  42   3.158  -6.621  -7.907
  340   1HB   LEU  42          1HB       LEU  42   2.787  -8.479  -5.559
  341   2HB   LEU  42          2HB       LEU  42   1.640  -7.453  -6.358
  342    HG   LEU  42           HG       LEU  42   2.814  -9.987  -7.357
  343   1HD1  LEU  42          3HD1      LEU  42   0.818  -9.999  -5.878
  344   2HD1  LEU  42          1HD1      LEU  42  -0.023  -8.948  -7.041
  345   3HD1  LEU  42          2HD1      LEU  42   0.421 -10.592  -7.514
  346   1HD2  LEU  42          1HD2      LEU  42   1.384  -7.910  -9.015
  347   2HD2  LEU  42          2HD2      LEU  42   2.943  -8.715  -9.340
  348   3HD2  LEU  42          3HD2      LEU  42   1.427  -9.632  -9.435
  349    H    LEU  43           H        LEU  43   5.260  -7.082  -5.012
  350    HA   LEU  43           HA       LEU  43   3.706  -5.128  -3.522
  351   1HB   LEU  43          1HB       LEU  43   5.299  -7.259  -2.721
  352   2HB   LEU  43          2HB       LEU  43   6.344  -5.889  -2.431
  353    HG   LEU  43           HG       LEU  43   5.299  -6.092  -0.411
  354   1HD1  LEU  43          2HD1      LEU  43   4.885  -3.767  -1.302
  355   2HD1  LEU  43          3HD1      LEU  43   3.223  -4.247  -1.626
  356   3HD1  LEU  43          1HD1      LEU  43   3.855  -4.283   0.028
  357   1HD2  LEU  43          1HD2      LEU  43   2.788  -6.896  -1.877
  358   2HD2  LEU  43          2HD2      LEU  43   3.814  -7.867  -0.818
  359   3HD2  LEU  43          3HD2      LEU  43   2.816  -6.579  -0.125
  360    H    GLU  44           H        GLU  44   3.911  -3.013  -4.181
  361    HA   GLU  44           HA       GLU  44   6.620  -2.048  -5.002
  362   1HB   GLU  44          1HB       GLU  44   4.959  -2.694  -6.790
  363   2HB   GLU  44          2HB       GLU  44   3.977  -1.329  -6.238
  364   1HG   GLU  44          1HG       GLU  44   5.867   0.190  -6.657
  365   2HG   GLU  44          2HG       GLU  44   6.917  -1.164  -7.047
  366    H    PHE  45           H        PHE  45   7.294  -0.830  -3.407
  367    HA   PHE  45           HA       PHE  45   5.412   0.633  -1.671
  368   1HB   PHE  45          1HB       PHE  45   8.413   0.155  -1.490
  369   2HB   PHE  45          2HB       PHE  45   7.426   0.955  -0.278
  370    HD1  PHE  45          2HD       PHE  45   5.486  -0.378   0.797
  371    HD2  PHE  45          1HD       PHE  45   8.694  -2.225  -1.407
  372    HE1  PHE  45          2HE       PHE  45   4.993  -2.550   1.900
  373    HE2  PHE  45          1HE       PHE  45   8.239  -4.372  -0.260
  374    HZ   PHE  45           HZ       PHE  45   6.401  -4.541   1.405
  375    H    VAL  46           H        VAL  46   4.724   2.381  -2.891
  376    HA   VAL  46           HA       VAL  46   6.557   3.777  -4.682
  377    HB   VAL  46           HB       VAL  46   3.563   4.008  -4.191
  378   1HG1  VAL  46          2HG1      VAL  46   5.360   5.318  -6.281
  379   2HG1  VAL  46          3HG1      VAL  46   3.588   5.314  -6.347
  380   3HG1  VAL  46          1HG1      VAL  46   4.408   6.147  -5.026
  381   1HG2  VAL  46          3HG2      VAL  46   4.271   1.883  -5.268
  382   2HG2  VAL  46          1HG2      VAL  46   3.376   2.916  -6.384
  383   3HG2  VAL  46          2HG2      VAL  46   5.151   2.797  -6.501
  384    H    ASP  47           H        ASP  47   7.809   5.301  -3.868
  385    HA   ASP  47           HA       ASP  47   7.347   6.611  -1.368
  386   1HB   ASP  47          1HB       ASP  47   9.556   6.044  -2.353
  387   2HB   ASP  47          2HB       ASP  47   9.355   7.365  -3.507
  388    H    ILE  48           H        ILE  48   5.944   8.173  -1.018
  389    HA   ILE  48           HA       ILE  48   4.890   9.995  -3.007
  390    HB   ILE  48           HB       ILE  48   3.702  11.011  -1.169
  391   1HG1  ILE  48          1HG1      ILE  48   5.408   9.397   0.764
  392   2HG1  ILE  48          2HG1      ILE  48   5.370  11.125   0.589
  393   1HG2  ILE  48          2HG2      ILE  48   3.056   8.702  -2.128
  394   2HG2  ILE  48          3HG2      ILE  48   3.695   8.000  -0.645
  395   3HG2  ILE  48          1HG2      ILE  48   2.334   9.123  -0.564
  396   1HD1  ILE  48          3HD1      ILE  48   2.975  11.144   1.284
  397   2HD1  ILE  48          1HD1      ILE  48   3.123   9.407   1.655
  398   3HD1  ILE  48          2HD1      ILE  48   4.112  10.588   2.526
  399    H    THR  49           H        THR  49   7.646  10.138  -0.762
  400    HA   THR  49           HA       THR  49   7.702  13.095  -1.010
  401    HB   THR  49           HB       THR  49   7.383  12.295   1.247
  402    HG1  THR  49           HG1      THR  49   9.832  13.453   0.558
  403   1HG2  THR  49          2HG2      THR  49  10.064  10.887   0.961
  404   2HG2  THR  49          3HG2      THR  49   9.200  11.176   2.490
  405   3HG2  THR  49          1HG2      THR  49   8.483  10.135   1.250
  406    H    ALA  50           H        ALA  50   9.070  10.522  -2.501
  407    HA   ALA  50           HA       ALA  50  11.695  11.593  -3.077
  408   1HB   ALA  50          1HB       ALA  50   9.829   9.730  -4.598
  409   2HB   ALA  50          2HB       ALA  50  11.503  10.074  -5.057
  410   3HB   ALA  50          3HB       ALA  50  11.171   9.260  -3.529
  411    H    THR  51           H        THR  51  10.323  13.805  -2.993
  412    HA   THR  51           HA       THR  51   9.667  15.726  -3.962
  413    HB   THR  51           HB       THR  51  11.985  14.776  -5.093
  414    HG1  THR  51           HG1      THR  51  12.374  16.930  -5.306
  415   1HG2  THR  51          1HG2      THR  51  10.662  14.516  -7.254
  416   2HG2  THR  51          2HG2      THR  51  10.474  16.288  -7.223
  417   3HG2  THR  51          3HG2      THR  51  12.096  15.571  -7.294
  418    H    ASN  52           H        ASN  52   7.942  13.193  -4.514
  419    HA   ASN  52           HA       ASN  52   6.900  13.770  -7.142
  420   1HB   ASN  52          1HB       ASN  52   7.211  11.462  -5.717
  421   2HB   ASN  52          2HB       ASN  52   5.486  11.748  -5.465
  422   1HD2  ASN  52          2HD2      ASN  52   4.874  11.686  -9.132
  423   2HD2  ASN  52          1HD2      ASN  52   4.358  12.542  -7.670
  424    H    HIS  53           H        HIS  53   6.334  15.589  -4.710
  425    HA   HIS  53           HA       HIS  53   4.751  16.924  -3.805
  426   1HB   HIS  53          1HB       HIS  53   2.801  15.808  -5.879
  427   2HB   HIS  53          2HB       HIS  53   2.442  16.938  -4.619
  428    HD1  HIS  53          1HD       HIS  53   1.592  18.175  -6.906
  429    HD2  HIS  53          2HD       HIS  53   5.687  18.130  -5.914
  430    HE1  HIS  53          1HE       HIS  53   2.680  20.135  -8.174
  431    H    THR  54           H        THR  54   5.108  15.642  -1.927
  432    HA   THR  54           HA       THR  54   3.794  13.128  -1.484
  433    HB   THR  54           HB       THR  54   5.506  13.089  -0.131
  434    HG1  THR  54           HG1      THR  54   5.047  13.717   2.027
  435   1HG2  THR  54          1HG2      THR  54   6.468  15.204  -0.662
  436   2HG2  THR  54          2HG2      THR  54   5.348  15.988   0.509
  437   3HG2  THR  54          3HG2      THR  54   6.588  14.832   1.066
  438    H    ASN  55           H        ASN  55   3.409  16.242   0.015
  439    HA   ASN  55           HA       ASN  55   1.121  15.417   1.365
  440   1HB   ASN  55          1HB       ASN  55   2.676  17.501   1.789
  441   2HB   ASN  55          2HB       ASN  55   1.364  18.374   0.983
  442   1HD2  ASN  55          2HD2      ASN  55   0.456  18.500   4.524
  443   2HD2  ASN  55          1HD2      ASN  55   1.550  19.259   3.383
  444    H    GLU  56           H        GLU  56   1.109  17.020  -1.892
  445    HA   GLU  56           HA       GLU  56  -1.607  17.181  -2.244
  446   1HB   GLU  56          1HB       GLU  56   0.746  17.676  -3.582
  447   2HB   GLU  56          2HB       GLU  56   0.310  16.173  -4.387
  448   1HG   GLU  56          1HG       GLU  56  -1.965  17.883  -4.265
  449   2HG   GLU  56          2HG       GLU  56  -0.580  18.865  -4.756
  450    H    ILE  57           H        ILE  57   0.652  14.392  -2.730
  451    HA   ILE  57           HA       ILE  57  -1.321  12.561  -3.717
  452    HB   ILE  57           HB       ILE  57   1.499  12.383  -2.629
  453   1HG1  ILE  57          1HG1      ILE  57   0.224  11.387  -5.215
  454   2HG1  ILE  57          2HG1      ILE  57   0.918  12.992  -5.007
  455   1HG2  ILE  57          2HG2      ILE  57  -0.362  10.016  -2.958
  456   2HG2  ILE  57          3HG2      ILE  57   1.397   9.870  -3.021
  457   3HG2  ILE  57          1HG2      ILE  57   0.617  10.464  -1.558
  458   1HD1  ILE  57          3HD1      ILE  57   3.128  11.977  -4.450
  459   2HD1  ILE  57          1HD1      ILE  57   2.459  10.381  -4.859
  460   3HD1  ILE  57          2HD1      ILE  57   2.556  11.644  -6.096
  461    H    GLN  58           H        GLN  58  -0.212  13.412  -0.494
  462    HA   GLN  58           HA       GLN  58  -1.426  11.387   1.044
  463   1HB   GLN  58          1HB       GLN  58  -0.616  14.301   1.439
  464   2HB   GLN  58          2HB       GLN  58  -1.569  13.546   2.679
  465   1HG   GLN  58          1HG       GLN  58   1.152  12.613   1.740
  466   2HG   GLN  58          2HG       GLN  58   0.820  13.443   3.238
  467   1HE2  GLN  58          2HE2      GLN  58  -1.182  10.415   4.292
  468   2HE2  GLN  58          1HE2      GLN  58  -1.292  12.159   4.416
  469    H    ASP  59           H        ASP  59  -2.645  14.632   0.061
  470    HA   ASP  59           HA       ASP  59  -5.256  14.371   1.152
  471   1HB   ASP  59          1HB       ASP  59  -3.897  16.446   0.125
  472   2HB   ASP  59          2HB       ASP  59  -4.657  16.002  -1.346
  473    H    TYR  60           H        TYR  60  -4.000  13.975  -2.053
  474    HA   TYR  60           HA       TYR  60  -6.400  13.229  -3.386
  475   1HB   TYR  60          1HB       TYR  60  -4.255  13.712  -4.525
  476   2HB   TYR  60          2HB       TYR  60  -3.619  12.151  -3.995
  477    HD1  TYR  60          1HD       TYR  60  -6.483  13.707  -5.861
  478    HD2  TYR  60          2HD       TYR  60  -3.958  10.241  -5.375
  479    HE1  TYR  60          1HE       TYR  60  -7.632  12.609  -7.757
  480    HE2  TYR  60          2HE       TYR  60  -5.073   9.159  -7.315
  481    HH   TYR  60           HH       TYR  60  -7.879  10.662  -8.961
  482    H    LEU  61           H        LEU  61  -4.126  11.081  -1.628
  483    HA   LEU  61           HA       LEU  61  -5.582   8.656  -2.041
  484   1HB   LEU  61          1HB       LEU  61  -3.661   9.540   0.135
  485   2HB   LEU  61          2HB       LEU  61  -4.361   7.936   0.109
  486    HG   LEU  61           HG       LEU  61  -2.808   9.030  -2.272
  487   1HD1  LEU  61          2HD1      LEU  61  -1.698   7.461   0.102
  488   2HD1  LEU  61          3HD1      LEU  61  -0.822   7.874  -1.395
  489   3HD1  LEU  61          1HD1      LEU  61  -1.338   9.153  -0.290
  490   1HD2  LEU  61          3HD2      LEU  61  -4.233   7.013  -2.607
  491   2HD2  LEU  61          1HD2      LEU  61  -2.503   6.703  -2.822
  492   3HD2  LEU  61          2HD2      LEU  61  -3.317   6.188  -1.332
  493    H    GLN  62           H        GLN  62  -6.003  11.295   0.345
  494    HA   GLN  62           HA       GLN  62  -7.912   9.962   1.971
  495   1HB   GLN  62          1HB       GLN  62  -6.960  12.185   2.513
  496   2HB   GLN  62          2HB       GLN  62  -7.918  12.929   1.260
  497   1HG   GLN  62          1HG       GLN  62  -9.373  11.328   3.344
  498   2HG   GLN  62          2HG       GLN  62  -8.709  12.906   3.741
  499   1HE2  GLN  62          2HE2      GLN  62 -12.115  12.744   1.512
  500   2HE2  GLN  62          1HE2      GLN  62 -11.237  11.277   1.820
  501    H    GLN  63           H        GLN  63  -8.375  11.882  -0.969
  502    HA   GLN  63           HA       GLN  63 -11.208  11.461  -1.000
  503   1HB   GLN  63          1HB       GLN  63  -9.462  13.049  -2.407
  504   2HB   GLN  63          2HB       GLN  63  -9.783  11.837  -3.619
  505   1HG   GLN  63          1HG       GLN  63 -11.375  13.671  -3.849
  506   2HG   GLN  63          2HG       GLN  63 -12.239  12.230  -3.314
  507   1HE2  GLN  63          2HE2      GLN  63 -11.700  15.195  -0.441
  508   2HE2  GLN  63          1HE2      GLN  63 -10.335  14.818  -1.469
  509    H    LEU  64           H        LEU  64  -8.541   9.822  -2.699
  510    HA   LEU  64           HA       LEU  64 -10.230   8.105  -4.207
  511   1HB   LEU  64          1HB       LEU  64  -8.160   8.707  -5.146
  512   2HB   LEU  64          2HB       LEU  64  -7.296   8.397  -3.647
  513    HG   LEU  64           HG       LEU  64  -7.595   5.936  -3.975
  514   1HD1  LEU  64          3HD1      LEU  64  -9.494   6.051  -5.645
  515   2HD1  LEU  64          1HD1      LEU  64  -8.404   6.859  -6.778
  516   3HD1  LEU  64          2HD1      LEU  64  -8.088   5.179  -6.297
  517   1HD2  LEU  64          3HD2      LEU  64  -5.509   7.132  -4.504
  518   2HD2  LEU  64          1HD2      LEU  64  -5.786   5.761  -5.594
  519   3HD2  LEU  64          2HD2      LEU  64  -6.099   7.418  -6.156
  520    H    THR  65           H        THR  65  -8.988   7.683  -0.913
  521    HA   THR  65           HA       THR  65 -10.124   4.911  -0.955
  522    HB   THR  65           HB       THR  65  -8.440   4.236   0.584
  523    HG1  THR  65           HG1      THR  65  -7.415   6.893   0.466
  524   1HG2  THR  65          3HG2      THR  65  -7.875   4.233  -1.830
  525   2HG2  THR  65          1HG2      THR  65  -7.040   5.793  -1.615
  526   3HG2  THR  65          2HG2      THR  65  -6.455   4.353  -0.761
  527    H    GLY  66           H        GLY  66 -10.098   7.988   0.832
  528   1HA   GLY  66          1HA       GLY  66 -12.062   8.453   2.099
  529   2HA   GLY  66          2HA       GLY  66 -12.027   6.828   2.772
  530    H    ALA  67           H        ALA  67  -8.737   7.580   2.748
  531    HA   ALA  67           HA       ALA  67  -8.755   9.639   4.801
  532   1HB   ALA  67          2HB       ALA  67  -7.891   6.810   5.466
  533   2HB   ALA  67          3HB       ALA  67  -7.473   8.237   6.431
  534   3HB   ALA  67          1HB       ALA  67  -9.174   7.760   6.252
  535    H    ARG  68           H        ARG  68  -6.728  10.581   5.043
  536    HA   ARG  68           HA       ARG  68  -4.913  10.197   2.803
  537   1HB   ARG  68          1HB       ARG  68  -3.541  11.934   3.882
  538   2HB   ARG  68          2HB       ARG  68  -5.152  12.460   3.572
  539   1HG   ARG  68          1HG       ARG  68  -4.549  11.424   6.357
  540   2HG   ARG  68          2HG       ARG  68  -3.815  12.920   5.836
  541   1HD   ARG  68          1HD       ARG  68  -5.684  13.834   6.725
  542   2HD   ARG  68          2HD       ARG  68  -6.255  13.604   5.085
  543    HE   ARG  68           HE       ARG  68  -6.828  11.495   7.116
  544   1HH1  ARG  68          2HH2      ARG  68  -8.022  14.558   5.740
  545   2HH1  ARG  68          1HH2      ARG  68  -9.664  14.224   6.100
  546   1HH2  ARG  68          2HH1      ARG  68  -9.072  10.996   7.462
  547   2HH2  ARG  68          1HH1      ARG  68 -10.267  12.158   6.962
  548    H    THR  69           H        THR  69  -5.040   8.642   5.972
  549    HA   THR  69           HA       THR  69  -2.303   9.002   6.510
  550    HB   THR  69           HB       THR  69  -2.876   7.222   8.294
  551    HG1  THR  69           HG1      THR  69  -5.009   6.837   8.585
  552   1HG2  THR  69          1HG2      THR  69  -2.916   9.729   8.577
  553   2HG2  THR  69          2HG2      THR  69  -4.628   9.729   8.117
  554   3HG2  THR  69          3HG2      THR  69  -4.100   8.893   9.583
  555    H    VAL  70           H        VAL  70  -0.559   7.812   6.239
  556    HA   VAL  70           HA       VAL  70  -0.664   5.517   4.380
  557    HB   VAL  70           HB       VAL  70   1.902   6.197   4.253
  558   1HG1  VAL  70          2HG1      VAL  70   0.368   6.248   2.351
  559   2HG1  VAL  70          3HG1      VAL  70  -0.226   7.847   2.855
  560   3HG1  VAL  70          1HG1      VAL  70   1.461   7.631   2.339
  561   1HG2  VAL  70          1HG2      VAL  70   1.781   7.959   6.035
  562   2HG2  VAL  70          2HG2      VAL  70   2.381   8.546   4.475
  563   3HG2  VAL  70          3HG2      VAL  70   0.723   8.908   4.976
  564    HA   PRO  71           HA       PRO  71   1.722   4.050   3.920
  565   1HB   PRO  71          1HB       PRO  71   1.746   1.314   4.274
  566   2HB   PRO  71          2HB       PRO  71   3.080   2.399   4.745
  567   1HG   PRO  71          1HG       PRO  71   0.863   1.291   6.487
  568   2HG   PRO  71          2HG       PRO  71   2.617   1.392   6.853
  569   1HD   PRO  71          1HD       PRO  71   0.916   3.219   7.837
  570   2HD   PRO  71          2HD       PRO  71   2.543   3.674   7.265
  571    H    ARG  72           H        ARG  72   0.284   3.890   2.240
  572    HA   ARG  72           HA       ARG  72  -2.471   2.992   2.939
  573   1HB   ARG  72          1HB       ARG  72  -1.846   5.371   1.891
  574   2HB   ARG  72          2HB       ARG  72  -1.824   4.476   0.379
  575   1HG   ARG  72          1HG       ARG  72  -4.065   5.253   0.563
  576   2HG   ARG  72          2HG       ARG  72  -4.153   3.571   1.115
  577   1HD   ARG  72          1HD       ARG  72  -3.799   4.503   3.480
  578   2HD   ARG  72          2HD       ARG  72  -4.037   6.119   2.796
  579    HE   ARG  72           HE       ARG  72  -6.305   4.927   2.004
  580   1HH1  ARG  72          2HH2      ARG  72  -4.707   5.394   5.107
  581   2HH1  ARG  72          1HH2      ARG  72  -6.105   5.041   6.078
  582   1HH2  ARG  72          2HH1      ARG  72  -8.174   4.240   3.276
  583   2HH2  ARG  72          1HH1      ARG  72  -8.164   4.539   4.975
  584    H    VAL  73           H        VAL  73  -2.343   0.801   2.771
  585    HA   VAL  73           HA       VAL  73  -0.919  -0.471   0.552
  586    HB   VAL  73           HB       VAL  73  -2.590  -1.550   2.838
  587   1HG1  VAL  73          2HG1      VAL  73  -1.129  -3.089   0.626
  588   2HG1  VAL  73          3HG1      VAL  73  -1.825  -3.844   2.072
  589   3HG1  VAL  73          1HG1      VAL  73  -2.880  -3.081   0.899
  590   1HG2  VAL  73          1HG2      VAL  73   0.379  -1.747   2.280
  591   2HG2  VAL  73          2HG2      VAL  73  -0.407  -0.771   3.553
  592   3HG2  VAL  73          3HG2      VAL  73  -0.484  -2.534   3.590
  593    H    PHE  74           H        PHE  74  -1.699  -0.871  -1.340
  594    HA   PHE  74           HA       PHE  74  -4.585  -0.743  -1.937
  595   1HB   PHE  74          1HB       PHE  74  -2.314   0.828  -2.853
  596   2HB   PHE  74          2HB       PHE  74  -2.932  -0.098  -4.186
  597    HD1  PHE  74          1HD       PHE  74  -5.582  -0.122  -4.431
  598    HD2  PHE  74          2HD       PHE  74  -3.315   2.913  -2.393
  599    HE1  PHE  74          1HE       PHE  74  -7.406   1.542  -4.847
  600    HE2  PHE  74          2HE       PHE  74  -5.082   4.578  -2.904
  601    HZ   PHE  74           HZ       PHE  74  -7.142   3.853  -4.135
  602    H    ILE  75           H        ILE  75  -5.073  -2.865  -2.039
  603    HA   ILE  75           HA       ILE  75  -3.292  -4.772  -3.454
  604    HB   ILE  75           HB       ILE  75  -4.923  -4.999  -0.999
  605   1HG1  ILE  75          1HG1      ILE  75  -3.413  -7.249  -1.099
  606   2HG1  ILE  75          2HG1      ILE  75  -2.507  -6.268  -2.229
  607   1HG2  ILE  75          3HG2      ILE  75  -5.104  -7.224  -3.041
  608   2HG2  ILE  75          1HG2      ILE  75  -5.590  -7.345  -1.352
  609   3HG2  ILE  75          2HG2      ILE  75  -6.475  -6.273  -2.436
  610   1HD1  ILE  75          3HD1      ILE  75  -3.027  -5.656   0.676
  611   2HD1  ILE  75          1HD1      ILE  75  -1.530  -6.244  -0.054
  612   3HD1  ILE  75          2HD1      ILE  75  -2.125  -4.651  -0.514
  613    H    GLY  76           H        GLY  76  -3.772  -4.802  -5.523
  614   1HA   GLY  76          1HA       GLY  76  -4.950  -5.097  -7.462
  615   2HA   GLY  76          2HA       GLY  76  -6.180  -5.869  -6.468
  616    H    LYS  77           H        LYS  77  -5.023  -2.576  -7.269
  617    HA   LYS  77           HA       LYS  77  -5.917  -0.599  -7.214
  618   1HB   LYS  77          1HB       LYS  77  -6.821  -1.876  -9.458
  619   2HB   LYS  77          2HB       LYS  77  -8.339  -1.297  -8.762
  620   1HG   LYS  77          1HG       LYS  77  -6.956   0.946  -8.409
  621   2HG   LYS  77          2HG       LYS  77  -5.868   0.249  -9.596
  622   1HD   LYS  77          1HD       LYS  77  -7.684   0.117 -11.245
  623   2HD   LYS  77          2HD       LYS  77  -8.840   0.784 -10.090
  624   1HE   LYS  77          1HE       LYS  77  -6.289   2.272 -10.837
  625   2HE   LYS  77          2HE       LYS  77  -7.711   2.353 -11.865
  626   1HZ   LYS  77          2HZ       LYS  77  -7.778   3.160  -9.017
  627   2HZ   LYS  77          3HZ       LYS  77  -7.552   4.194 -10.283
  628   3HZ   LYS  77          1HZ       LYS  77  -8.946   3.378 -10.137
  629    H    ASP  78           H        ASP  78  -7.125  -2.479  -4.942
  630    HA   ASP  78           HA       ASP  78  -9.079  -0.387  -4.147
  631   1HB   ASP  78          1HB       ASP  78 -10.288  -2.414  -4.682
  632   2HB   ASP  78          2HB       ASP  78  -9.189  -3.386  -3.678
  633    H    CYS  79           H        CYS  79  -8.993   0.196  -1.970
  634    HA   CYS  79           HA       CYS  79  -6.317  -0.116  -0.768
  635   1HB   CYS  79          1HB       CYS  79  -7.374   2.086  -1.204
  636   2HB   CYS  79          2HB       CYS  79  -8.623   1.742   0.000
  637    HG   CYS  79           HG       CYS  79  -7.389   2.186   1.939
  638    H    ILE  80           H        ILE  80  -5.922  -1.357   1.209
  639    HA   ILE  80           HA       ILE  80  -8.273  -2.590   2.432
  640    HB   ILE  80           HB       ILE  80  -6.774  -3.840   3.660
  641   1HG1  ILE  80          1HG1      ILE  80  -4.254  -3.754   3.005
  642   2HG1  ILE  80          2HG1      ILE  80  -4.617  -2.078   2.558
  643   1HG2  ILE  80          1HG2      ILE  80  -7.354  -4.582   1.415
  644   2HG2  ILE  80          2HG2      ILE  80  -5.883  -3.815   0.762
  645   3HG2  ILE  80          3HG2      ILE  80  -5.764  -5.177   1.903
  646   1HD1  ILE  80          3HD1      ILE  80  -5.203  -3.308   5.277
  647   2HD1  ILE  80          1HD1      ILE  80  -3.713  -2.420   4.883
  648   3HD1  ILE  80          2HD1      ILE  80  -5.261  -1.585   4.870
  649    H    GLY  81           H        GLY  81  -6.333   0.258   2.764
  650   1HA   GLY  81          1HA       GLY  81  -7.480   1.894   4.365
  651   2HA   GLY  81          2HA       GLY  81  -7.229   0.623   5.574
  652    H    GLY  82           H        GLY  82  -5.640   1.361   6.813
  653   1HA   GLY  82          1HA       GLY  82  -3.104   2.359   5.641
  654   2HA   GLY  82          2HA       GLY  82  -3.791   2.983   7.153
  655    H    CYS  83           H        CYS  83  -1.879   2.204   8.344
  656    HA   CYS  83           HA       CYS  83  -1.236  -0.596   8.058
  657   1HB   CYS  83          1HB       CYS  83   0.375   1.400   8.767
  658   2HB   CYS  83          2HB       CYS  83  -0.155   0.920  10.393
  659    HG   CYS  83           HG       CYS  83   0.186  -1.692   9.897
  660    H    SER  84           H        SER  84  -3.469   1.199  10.111
  661    HA   SER  84           HA       SER  84  -3.341  -0.585  12.325
  662   1HB   SER  84          1HB       SER  84  -5.698   1.111  11.330
  663   2HB   SER  84          2HB       SER  84  -5.561   0.394  12.937
  664    HG   SER  84           HG       SER  84  -4.155   1.790  13.523
  665    H    ASP  85           H        ASP  85  -5.358  -0.415   9.427
  666    HA   ASP  85           HA       ASP  85  -6.893  -2.816   9.693
  667   1HB   ASP  85          1HB       ASP  85  -6.025  -1.014   7.404
  668   2HB   ASP  85          2HB       ASP  85  -6.733  -2.562   7.043
  669    H    LEU  86           H        LEU  86  -3.871  -2.084   7.896
  670    HA   LEU  86           HA       LEU  86  -3.320  -4.590   6.959
  671   1HB   LEU  86          1HB       LEU  86  -2.062  -2.429   6.493
  672   2HB   LEU  86          2HB       LEU  86  -1.219  -2.694   8.027
  673    HG   LEU  86           HG       LEU  86  -0.317  -4.848   7.160
  674   1HD1  LEU  86          3HD1      LEU  86  -1.773  -4.013   4.625
  675   2HD1  LEU  86          1HD1      LEU  86  -0.419  -5.171   4.649
  676   3HD1  LEU  86          2HD1      LEU  86  -1.903  -5.535   5.519
  677   1HD2  LEU  86          1HD2      LEU  86   0.253  -2.273   5.658
  678   2HD2  LEU  86          2HD2      LEU  86   1.019  -2.879   7.128
  679   3HD2  LEU  86          3HD2      LEU  86   1.295  -3.715   5.608
  680    H    VAL  87           H        VAL  87  -2.440  -3.432  10.320
  681    HA   VAL  87           HA       VAL  87  -0.885  -5.672  11.000
  682    HB   VAL  87           HB       VAL  87  -2.438  -3.494  12.432
  683   1HG1  VAL  87          3HG1      VAL  87  -0.832  -5.731  13.706
  684   2HG1  VAL  87          1HG1      VAL  87  -1.364  -4.241  14.541
  685   3HG1  VAL  87          2HG1      VAL  87  -2.564  -5.388  13.935
  686   1HG2  VAL  87          3HG2      VAL  87  -0.219  -2.999  11.267
  687   2HG2  VAL  87          1HG2      VAL  87  -0.286  -2.606  12.985
  688   3HG2  VAL  87          2HG2      VAL  87   0.548  -4.080  12.436
  689    H    SER  88           H        SER  88  -4.489  -4.997  11.308
  690    HA   SER  88           HA       SER  88  -4.940  -7.528  12.617
  691   1HB   SER  88          1HB       SER  88  -6.598  -5.324  11.618
  692   2HB   SER  88          2HB       SER  88  -7.273  -6.895  11.154
  693    HG   SER  88           HG       SER  88  -7.801  -5.988  13.332
  694    H    LEU  89           H        LEU  89  -5.115  -6.483   9.124
  695    HA   LEU  89           HA       LEU  89  -5.835  -8.971   8.103
  696   1HB   LEU  89          1HB       LEU  89  -4.025  -6.819   6.948
  697   2HB   LEU  89          2HB       LEU  89  -4.347  -8.301   6.118
  698    HG   LEU  89           HG       LEU  89  -6.853  -7.781   6.407
  699   1HD1  LEU  89          1HD1      LEU  89  -5.677  -5.009   6.686
  700   2HD1  LEU  89          2HD1      LEU  89  -7.347  -5.350   6.202
  701   3HD1  LEU  89          3HD1      LEU  89  -6.806  -5.840   7.794
  702   1HD2  LEU  89          3HD2      LEU  89  -5.081  -6.248   4.453
  703   2HD2  LEU  89          1HD2      LEU  89  -5.694  -7.910   4.242
  704   3HD2  LEU  89          2HD2      LEU  89  -6.821  -6.554   4.250
  705    H    GLN  90           H        GLN  90  -2.517  -7.886   9.045
  706    HA   GLN  90           HA       GLN  90  -1.305 -10.356   8.233
  707   1HB   GLN  90          1HB       GLN  90  -0.113  -8.205   8.477
  708   2HB   GLN  90          2HB       GLN  90  -0.335  -8.249  10.216
  709   1HG   GLN  90          1HG       GLN  90   0.912 -10.727   9.125
  710   2HG   GLN  90          2HG       GLN  90   1.814  -9.266   8.773
  711   1HE2  GLN  90          2HE2      GLN  90   3.342  -9.335  11.942
  712   2HE2  GLN  90          1HE2      GLN  90   3.500  -9.279  10.194
  713    H    GLN  91           H        GLN  91  -2.249  -9.161  11.542
  714    HA   GLN  91           HA       GLN  91  -1.373 -11.421  12.880
  715   1HB   GLN  91          1HB       GLN  91  -2.381  -8.830  13.432
  716   2HB   GLN  91          2HB       GLN  91  -3.499  -9.886  14.242
  717   1HG   GLN  91          1HG       GLN  91  -0.519 -10.332  14.538
  718   2HG   GLN  91          2HG       GLN  91  -1.280  -8.945  15.288
  719   1HE2  GLN  91          2HE2      GLN  91  -2.133 -12.683  16.828
  720   2HE2  GLN  91          1HE2      GLN  91  -1.269 -12.573  15.315
  721    H    SER  92           H        SER  92  -4.741 -10.395  12.133
  722    HA   SER  92           HA       SER  92  -5.888 -12.851  13.198
  723   1HB   SER  92          1HB       SER  92  -6.730 -10.105  12.366
  724   2HB   SER  92          2HB       SER  92  -7.852 -11.366  11.889
  725    HG   SER  92           HG       SER  92  -8.056 -11.984  13.997
  726    H    GLY  93           H        GLY  93  -4.563 -11.815  10.152
  727   1HA   GLY  93          1HA       GLY  93  -3.866 -13.498   8.732
  728   2HA   GLY  93          2HA       GLY  93  -5.246 -14.502   9.177
  729    H    GLU  94           H        GLU  94  -6.554 -11.436   8.471
  730    HA   GLU  94           HA       GLU  94  -7.787 -12.449   6.109
  731   1HB   GLU  94          1HB       GLU  94  -8.926 -10.835   7.423
  732   2HB   GLU  94          2HB       GLU  94  -7.617  -9.671   7.291
  733   1HG   GLU  94          1HG       GLU  94  -8.052  -9.404   4.865
  734   2HG   GLU  94          2HG       GLU  94  -9.326 -10.633   4.960
  735    H    LEU  95           H        LEU  95  -4.771 -10.701   6.550
  736    HA   LEU  95           HA       LEU  95  -4.139  -9.642   4.062
  737   1HB   LEU  95          1HB       LEU  95  -2.730  -9.634   6.124
  738   2HB   LEU  95          2HB       LEU  95  -2.287 -11.293   5.852
  739    HG   LEU  95           HG       LEU  95  -1.714  -9.020   3.896
  740   1HD1  LEU  95          3HD1      LEU  95  -0.038 -10.065   6.214
  741   2HD1  LEU  95          1HD1      LEU  95   0.542  -8.945   4.975
  742   3HD1  LEU  95          2HD1      LEU  95  -0.757  -8.446   6.059
  743   1HD2  LEU  95          2HD2      LEU  95  -0.471 -11.784   4.252
  744   2HD2  LEU  95          3HD2      LEU  95  -1.357 -11.215   2.837
  745   3HD2  LEU  95          1HD2      LEU  95   0.208 -10.513   3.213
  746    H    LEU  96           H        LEU  96  -3.668 -13.129   5.020
  747    HA   LEU  96           HA       LEU  96  -2.406 -13.644   2.499
  748   1HB   LEU  96          1HB       LEU  96  -3.717 -15.565   4.494
  749   2HB   LEU  96          2HB       LEU  96  -2.881 -16.097   3.051
  750    HG   LEU  96           HG       LEU  96  -1.451 -16.413   4.908
  751   1HD1  LEU  96          1HD1      LEU  96  -0.332 -15.717   2.832
  752   2HD1  LEU  96          2HD1      LEU  96  -0.372 -14.021   3.359
  753   3HD1  LEU  96          3HD1      LEU  96   0.569 -15.222   4.264
  754   1HD2  LEU  96          2HD2      LEU  96  -2.410 -14.697   6.442
  755   2HD2  LEU  96          3HD2      LEU  96  -0.641 -14.744   6.414
  756   3HD2  LEU  96          1HD2      LEU  96  -1.489 -13.452   5.564
  757    H    THR  97           H        THR  97  -5.807 -14.067   3.559
  758    HA   THR  97           HA       THR  97  -6.760 -15.090   1.102
  759    HB   THR  97           HB       THR  97  -8.217 -13.319   3.124
  760    HG1  THR  97           HG1      THR  97  -8.533 -15.163   4.287
  761   1HG2  THR  97          2HG2      THR  97  -9.207 -15.572   1.311
  762   2HG2  THR  97          3HG2      THR  97 -10.191 -14.655   2.476
  763   3HG2  THR  97          1HG2      THR  97  -9.510 -13.837   1.063
  764    H    ARG  98           H        ARG  98  -6.629 -11.665   2.324
  765    HA   ARG  98           HA       ARG  98  -7.803 -10.472   0.054
  766   1HB   ARG  98          1HB       ARG  98  -6.548  -9.602   2.504
  767   2HB   ARG  98          2HB       ARG  98  -5.787  -8.698   1.213
  768   1HG   ARG  98          1HG       ARG  98  -8.806  -8.959   1.474
  769   2HG   ARG  98          2HG       ARG  98  -7.892  -7.713   2.324
  770   1HD   ARG  98          1HD       ARG  98  -7.157  -6.679   0.310
  771   2HD   ARG  98          2HD       ARG  98  -7.706  -8.029  -0.695
  772    HE   ARG  98           HE       ARG  98 -10.007  -7.352   0.458
  773   1HH1  ARG  98          2HH2      ARG  98  -7.670  -5.072  -1.105
  774   2HH1  ARG  98          1HH2      ARG  98  -8.958  -3.895  -1.290
  775   1HH2  ARG  98          2HH1      ARG  98 -11.581  -5.789  -0.151
  776   2HH2  ARG  98          1HH1      ARG  98 -11.027  -4.266  -0.818
  777    H    LEU  99           H        LEU  99  -4.258 -11.186   0.673
  778    HA   LEU  99           HA       LEU  99  -3.489 -10.087  -1.843
  779   1HB   LEU  99          1HB       LEU  99  -2.366 -11.947   0.309
  780   2HB   LEU  99          2HB       LEU  99  -1.482 -11.719  -1.172
  781    HG   LEU  99           HG       LEU  99  -0.768 -10.341   0.705
  782   1HD1  LEU  99          1HD1      LEU  99  -0.278  -9.799  -1.690
  783   2HD1  LEU  99          2HD1      LEU  99  -1.693  -8.742  -1.720
  784   3HD1  LEU  99          3HD1      LEU  99  -0.316  -8.363  -0.664
  785   1HD2  LEU  99          1HD2      LEU  99  -3.295  -8.724   0.409
  786   2HD2  LEU  99          2HD2      LEU  99  -2.659  -9.506   1.844
  787   3HD2  LEU  99          3HD2      LEU  99  -1.803  -8.147   1.186
  788    H    LYS 100           H        LYS 100  -4.309 -13.505  -0.823
  789    HA   LYS 100           HA       LYS 100  -3.571 -14.346  -3.462
  790   1HB   LYS 100          1HB       LYS 100  -4.391 -15.683  -1.087
  791   2HB   LYS 100          2HB       LYS 100  -5.587 -16.120  -2.278
  792   1HG   LYS 100          1HG       LYS 100  -3.024 -16.251  -3.621
  793   2HG   LYS 100          2HG       LYS 100  -2.788 -16.919  -2.047
  794   1HD   LYS 100          1HD       LYS 100  -3.365 -18.682  -3.611
  795   2HD   LYS 100          2HD       LYS 100  -4.616 -18.534  -2.372
  796   1HE   LYS 100          1HE       LYS 100  -5.537 -18.923  -4.655
  797   2HE   LYS 100          2HE       LYS 100  -6.132 -17.421  -3.925
  798   1HZ   LYS 100          2HZ       LYS 100  -3.830 -17.360  -5.776
  799   2HZ   LYS 100          3HZ       LYS 100  -5.396 -17.312  -6.322
  800   3HZ   LYS 100          1HZ       LYS 100  -4.862 -16.154  -5.345
  801    H    GLN 101           H        GLN 101  -6.534 -13.053  -2.211
  802    HA   GLN 101           HA       GLN 101  -8.342 -13.630  -4.244
  803   1HB   GLN 101          1HB       GLN 101  -8.780 -12.403  -2.125
  804   2HB   GLN 101          2HB       GLN 101  -8.004 -10.969  -2.799
  805   1HG   GLN 101          1HG       GLN 101  -9.720 -10.655  -4.408
  806   2HG   GLN 101          2HG       GLN 101 -10.368 -12.284  -4.135
  807   1HE2  GLN 101          2HE2      GLN 101 -12.820 -10.823  -2.060
  808   2HE2  GLN 101          1HE2      GLN 101 -12.477 -11.621  -3.604
  809    H    ILE 102           H        ILE 102  -5.563 -11.318  -4.355
  810    HA   ILE 102           HA       ILE 102  -6.347 -10.600  -7.130
  811    HB   ILE 102           HB       ILE 102  -5.060  -8.705  -6.929
  812   1HG1  ILE 102          1HG1      ILE 102  -3.956  -8.720  -4.251
  813   2HG1  ILE 102          2HG1      ILE 102  -3.448 -10.161  -5.067
  814   1HG2  ILE 102          1HG2      ILE 102  -7.205  -8.779  -5.621
  815   2HG2  ILE 102          2HG2      ILE 102  -6.249  -9.066  -4.148
  816   3HG2  ILE 102          3HG2      ILE 102  -6.036  -7.564  -5.070
  817   1HD1  ILE 102          2HD1      ILE 102  -2.564  -8.850  -6.954
  818   2HD1  ILE 102          3HD1      ILE 102  -3.094  -7.353  -6.143
  819   3HD1  ILE 102          1HD1      ILE 102  -1.837  -8.378  -5.419
  820    H    GLY 103           H        GLY 103  -4.898 -13.214  -6.132
  821   1HA   GLY 103          1HA       GLY 103  -3.550 -14.710  -7.263
  822   2HA   GLY 103          2HA       GLY 103  -3.329 -13.512  -8.535
  823    H    ALA 104           H        ALA 104  -2.482 -13.147  -5.061
  824    HA   ALA 104           HA       ALA 104   0.253 -12.274  -5.704
  825   1HB   ALA 104          2HB       ALA 104  -1.298 -12.829  -3.107
  826   2HB   ALA 104          3HB       ALA 104   0.281 -12.053  -3.205
  827   3HB   ALA 104          1HB       ALA 104  -1.159 -11.240  -3.889
  828    H    LEU 105           H        LEU 105  -0.921 -14.835  -3.330
  829    HA   LEU 105           HA       LEU 105   1.746 -15.372  -2.933
  830   1HB   LEU 105          1HB       LEU 105  -0.284 -17.421  -2.223
  831   2HB   LEU 105          2HB       LEU 105   1.125 -16.876  -1.369
  832    HG   LEU 105           HG       LEU 105  -1.427 -15.257  -1.535
  833   1HD1  LEU 105          2HD1      LEU 105  -1.624 -17.355  -0.168
  834   2HD1  LEU 105          3HD1      LEU 105  -0.234 -16.831   0.786
  835   3HD1  LEU 105          1HD1      LEU 105  -1.744 -15.883   0.808
  836   1HD2  LEU 105          3HD2      LEU 105   0.589 -13.835  -1.243
  837   2HD2  LEU 105          1HD2      LEU 105  -0.469 -13.831   0.184
  838   3HD2  LEU 105          2HD2      LEU 105   1.027 -14.783   0.186
  839    H    GLN 106           H        GLN 106   3.138 -16.907  -3.487
  840    HA   GLN 106           HA       GLN 106   2.684 -19.089  -5.300
  841   1HB   GLN 106          2HB       GLN 106   2.844 -17.108  -6.831
  842   2HB   GLN 106          3HB       GLN 106   4.319 -16.597  -5.997
  843   1HG   GLN 106          2HG       GLN 106   5.462 -18.668  -6.686
  844   2HG   GLN 106          3HG       GLN 106   3.975 -19.232  -7.450
  845   1HE2  GLN 106          2HE2      GLN 106   5.052 -17.718 -10.482
  846   2HE2  GLN 106          1HE2      GLN 106   4.003 -18.885  -9.694
   
  No H/Q in entry =         846
  Start of MODEL    6
    1   1H    ALA   2          2H        ALA   2  -5.828  10.487  -6.593
    2   2H    ALA   2          3H        ALA   2  -4.845   9.230  -6.251
    3   3H    ALA   2          1H        ALA   2  -5.635  10.048  -5.018
    4    HA   ALA   2           HA       ALA   2  -4.441  12.013  -5.543
    5   1HB   ALA   2          1HB       ALA   2  -3.003   9.673  -4.529
    6   2HB   ALA   2          2HB       ALA   2  -2.071  11.117  -4.999
    7   3HB   ALA   2          3HB       ALA   2  -3.391  11.230  -3.833
    8    H    GLN   3           H        GLN   3  -2.540  12.989  -6.625
    9    HA   GLN   3           HA       GLN   3  -3.150  13.221  -9.246
   10   1HB   GLN   3          1HB       GLN   3  -0.750  14.189  -9.426
   11   2HB   GLN   3          2HB       GLN   3  -1.968  14.943  -8.413
   12   1HG   GLN   3          1HG       GLN   3  -0.986  14.003  -6.387
   13   2HG   GLN   3          2HG       GLN   3   0.194  13.096  -7.362
   14   1HE2  GLN   3          2HE2      GLN   3   0.573  17.234  -7.145
   15   2HE2  GLN   3          1HE2      GLN   3  -1.008  16.475  -6.903
   16    H    GLU   4           H        GLU   4  -1.892  12.862 -11.224
   17    HA   GLU   4           HA       GLU   4  -2.381  10.303 -11.716
   18   1HB   GLU   4          1HB       GLU   4  -2.096  12.253 -13.354
   19   2HB   GLU   4          2HB       GLU   4  -0.403  11.779 -13.469
   20   1HG   GLU   4          1HG       GLU   4  -1.714  10.786 -15.290
   21   2HG   GLU   4          2HG       GLU   4  -1.089   9.511 -14.251
   22    H    PHE   5           H        PHE   5   0.929  11.270 -10.780
   23    HA   PHE   5           HA       PHE   5   2.183   8.856 -11.441
   24   1HB   PHE   5          1HB       PHE   5   3.303  10.890 -10.550
   25   2HB   PHE   5          2HB       PHE   5   2.713  10.479  -8.939
   26    HD1  PHE   5          1HD       PHE   5   5.006   9.530 -11.703
   27    HD2  PHE   5          2HD       PHE   5   3.754   8.642  -7.668
   28    HE1  PHE   5          1HE       PHE   5   6.997   8.081 -11.402
   29    HE2  PHE   5          2HE       PHE   5   5.750   7.216  -7.367
   30    HZ   PHE   5           HZ       PHE   5   7.375   6.923  -9.232
   31    H    VAL   6           H        VAL   6   0.034   9.464  -8.625
   32    HA   VAL   6           HA       VAL   6   0.353   6.861  -7.421
   33    HB   VAL   6           HB       VAL   6  -1.555   9.209  -7.160
   34   1HG1  VAL   6          3HG1      VAL   6  -2.348   6.427  -6.334
   35   2HG1  VAL   6          1HG1      VAL   6  -2.907   7.840  -5.462
   36   3HG1  VAL   6          2HG1      VAL   6  -3.288   7.675  -7.173
   37   1HG2  VAL   6          1HG2      VAL   6   0.581   8.992  -5.878
   38   2HG2  VAL   6          2HG2      VAL   6  -0.856   9.118  -4.865
   39   3HG2  VAL   6          3HG2      VAL   6  -0.099   7.555  -5.090
   40    H    ASN   7           H        ASN   7  -2.052   8.299  -9.673
   41    HA   ASN   7           HA       ASN   7  -3.678   5.971  -9.674
   42   1HB   ASN   7          1HB       ASN   7  -3.495   8.115 -11.824
   43   2HB   ASN   7          2HB       ASN   7  -4.768   6.897 -11.677
   44   1HD2  ASN   7          2HD2      ASN   7  -5.528  10.238  -9.855
   45   2HD2  ASN   7          1HD2      ASN   7  -4.829   9.984 -11.458
   46    H    CYS   8           H        CYS   8  -1.027   6.980 -11.794
   47    HA   CYS   8           HA       CYS   8  -1.118   4.607 -13.471
   48   1HB   CYS   8          1HB       CYS   8  -0.528   7.015 -14.175
   49   2HB   CYS   8          2HB       CYS   8   1.036   6.738 -13.385
   50    HG   CYS   8           HG       CYS   8   1.621   4.578 -14.657
   51    H    LYS   9           H        LYS   9  -0.801   4.032 -10.669
   52    HA   LYS   9           HA       LYS   9   1.466   2.193 -11.159
   53   1HB   LYS   9          1HB       LYS   9   0.915   3.277  -8.362
   54   2HB   LYS   9          2HB       LYS   9   2.053   1.989  -8.773
   55   1HG   LYS   9          1HG       LYS   9   2.215   4.842  -9.668
   56   2HG   LYS   9          2HG       LYS   9   3.113   4.200  -8.313
   57   1HD   LYS   9          1HD       LYS   9   4.518   2.876  -9.712
   58   2HD   LYS   9          2HD       LYS   9   3.485   3.086 -11.120
   59   1HE   LYS   9          1HE       LYS   9   5.072   5.305  -9.754
   60   2HE   LYS   9          2HE       LYS   9   5.493   4.493 -11.273
   61   1HZ   LYS   9          2HZ       LYS   9   3.413   5.340 -12.205
   62   2HZ   LYS   9          3HZ       LYS   9   3.100   6.172 -10.822
   63   3HZ   LYS   9          1HZ       LYS   9   4.416   6.562 -11.737
   64    H    ILE  10           H        ILE  10  -1.585   2.866  -9.167
   65    HA   ILE  10           HA       ILE  10  -1.627   0.136  -8.448
   66    HB   ILE  10           HB       ILE  10  -4.140   1.737  -8.539
   67   1HG1  ILE  10          1HG1      ILE  10  -2.581   2.285  -6.062
   68   2HG1  ILE  10          2HG1      ILE  10  -1.997   3.157  -7.471
   69   1HG2  ILE  10          2HG2      ILE  10  -4.059  -0.562  -7.594
   70   2HG2  ILE  10          3HG2      ILE  10  -2.841  -0.039  -6.420
   71   3HG2  ILE  10          1HG2      ILE  10  -4.472   0.645  -6.351
   72   1HD1  ILE  10          1HD1      ILE  10  -4.890   3.090  -6.637
   73   2HD1  ILE  10          2HD1      ILE  10  -3.741   4.427  -6.344
   74   3HD1  ILE  10          3HD1      ILE  10  -4.190   3.989  -8.006
   75    H    GLN  11           H        GLN  11  -2.565  -1.559  -9.408
   76    HA   GLN  11           HA       GLN  11  -4.533  -1.297 -11.544
   77   1HB   GLN  11          1HB       GLN  11  -3.291  -3.180 -12.751
   78   2HB   GLN  11          2HB       GLN  11  -2.545  -1.586 -12.889
   79   1HG   GLN  11          1HG       GLN  11  -0.781  -2.145 -11.409
   80   2HG   GLN  11          2HG       GLN  11  -1.686  -3.490 -10.724
   81   1HE2  GLN  11          2HE2      GLN  11  -0.342  -5.938 -12.809
   82   2HE2  GLN  11          1HE2      GLN  11  -1.538  -5.507 -11.617
   83    HA   PRO  12           HA       PRO  12  -5.792  -4.990  -9.120
   84   1HB   PRO  12          1HB       PRO  12  -6.708  -6.701 -11.101
   85   2HB   PRO  12          2HB       PRO  12  -7.671  -5.351 -10.426
   86   1HG   PRO  12          1HG       PRO  12  -6.029  -5.372 -12.975
   87   2HG   PRO  12          2HG       PRO  12  -7.694  -4.759 -12.732
   88   1HD   PRO  12          1HD       PRO  12  -5.536  -3.108 -12.736
   89   2HD   PRO  12          2HD       PRO  12  -6.903  -2.829 -11.619
   90    H    GLY  13           H        GLY  13  -4.846  -7.162  -8.871
   91   1HA   GLY  13          1HA       GLY  13  -3.218  -8.804  -9.127
   92   2HA   GLY  13          2HA       GLY  13  -2.993  -8.214 -10.765
   93    H    LYS  14           H        LYS  14  -2.388  -5.843  -8.247
   94    HA   LYS  14           HA       LYS  14   0.424  -6.580  -7.943
   95   1HB   LYS  14          1HB       LYS  14  -0.173  -4.643  -9.769
   96   2HB   LYS  14          2HB       LYS  14  -0.049  -3.643  -8.328
   97   1HG   LYS  14          1HG       LYS  14   2.270  -4.522  -8.026
   98   2HG   LYS  14          2HG       LYS  14   2.058  -5.570  -9.441
   99   1HD   LYS  14          1HD       LYS  14   1.706  -3.521 -10.850
  100   2HD   LYS  14          2HD       LYS  14   1.967  -2.515  -9.409
  101   1HE   LYS  14          1HE       LYS  14   4.251  -3.606  -9.186
  102   2HE   LYS  14          2HE       LYS  14   3.968  -4.368 -10.769
  103   1HZ   LYS  14          2HZ       LYS  14   4.073  -1.464 -10.202
  104   2HZ   LYS  14          3HZ       LYS  14   5.235  -2.301 -10.908
  105   3HZ   LYS  14          1HZ       LYS  14   3.829  -2.152 -11.728
  106    H    VAL  15           H        VAL  15   1.341  -5.357  -5.942
  107    HA   VAL  15           HA       VAL  15  -0.848  -4.657  -4.069
  108    HB   VAL  15           HB       VAL  15   1.719  -6.152  -3.393
  109   1HG1  VAL  15          3HG1      VAL  15  -0.758  -5.285  -1.895
  110   2HG1  VAL  15          1HG1      VAL  15   0.385  -6.476  -1.224
  111   3HG1  VAL  15          2HG1      VAL  15   0.895  -4.808  -1.536
  112   1HG2  VAL  15          1HG2      VAL  15  -1.093  -7.245  -3.663
  113   2HG2  VAL  15          2HG2      VAL  15   0.311  -7.650  -4.676
  114   3HG2  VAL  15          3HG2      VAL  15   0.322  -8.097  -2.985
  115    H    VAL  16           H        VAL  16  -0.629  -2.484  -4.668
  116    HA   VAL  16           HA       VAL  16   2.067  -1.261  -4.555
  117    HB   VAL  16           HB       VAL  16  -0.613  -0.526  -5.763
  118   1HG1  VAL  16          2HG1      VAL  16   1.800   1.305  -5.520
  119   2HG1  VAL  16          3HG1      VAL  16   0.412   1.576  -6.597
  120   3HG1  VAL  16          1HG1      VAL  16   0.186   1.592  -4.842
  121   1HG2  VAL  16          3HG2      VAL  16   1.046  -2.101  -6.896
  122   2HG2  VAL  16          1HG2      VAL  16   0.690  -0.638  -7.831
  123   3HG2  VAL  16          2HG2      VAL  16   2.200  -0.773  -6.917
  124    H    VAL  17           H        VAL  17   2.649   0.005  -2.862
  125    HA   VAL  17           HA       VAL  17   0.556   0.722  -0.870
  126    HB   VAL  17           HB       VAL  17   3.365  -0.240  -0.239
  127   1HG1  VAL  17          2HG1      VAL  17   0.896   0.266   1.479
  128   2HG1  VAL  17          3HG1      VAL  17   2.450  -0.374   2.073
  129   3HG1  VAL  17          1HG1      VAL  17   2.327   1.272   1.428
  130   1HG2  VAL  17          2HG2      VAL  17   0.780  -1.839  -0.161
  131   2HG2  VAL  17          3HG2      VAL  17   2.204  -2.148  -1.174
  132   3HG2  VAL  17          1HG2      VAL  17   2.340  -2.321   0.562
  133    H    PHE  18           H        PHE  18   0.478   2.877  -0.794
  134    HA   PHE  18           HA       PHE  18   2.775   4.428  -1.814
  135   1HB   PHE  18          1HB       PHE  18   0.076   5.345  -0.719
  136   2HB   PHE  18          2HB       PHE  18   1.316   6.426  -1.367
  137    HD1  PHE  18          2HD       PHE  18   2.307   5.862  -3.703
  138    HD2  PHE  18          1HD       PHE  18  -1.535   4.496  -2.286
  139    HE1  PHE  18          2HE       PHE  18   1.608   5.381  -6.040
  140    HE2  PHE  18          1HE       PHE  18  -2.224   4.066  -4.631
  141    HZ   PHE  18           HZ       PHE  18  -0.624   4.485  -6.499
  142    H    ILE  19           H        ILE  19   4.299   5.303  -0.464
  143    HA   ILE  19           HA       ILE  19   4.013   5.254   2.476
  144    HB   ILE  19           HB       ILE  19   6.144   4.061   2.672
  145   1HG1  ILE  19          1HG1      ILE  19   6.306   2.820   0.031
  146   2HG1  ILE  19          2HG1      ILE  19   6.531   4.548  -0.091
  147   1HG2  ILE  19          1HG2      ILE  19   3.960   2.851   2.731
  148   2HG2  ILE  19          2HG2      ILE  19   4.289   2.313   1.074
  149   3HG2  ILE  19          3HG2      ILE  19   5.376   1.848   2.392
  150   1HD1  ILE  19          1HD1      ILE  19   8.110   2.768   1.810
  151   2HD1  ILE  19          2HD1      ILE  19   8.677   3.402   0.252
  152   3HD1  ILE  19          3HD1      ILE  19   8.326   4.515   1.582
  153    H    LYS  20           H        LYS  20   6.333   6.079   3.363
  154    HA   LYS  20           HA       LYS  20   7.866   7.507   1.367
  155   1HB   LYS  20          1HB       LYS  20   8.197   9.449   2.919
  156   2HB   LYS  20          2HB       LYS  20   6.702   9.422   1.976
  157   1HG   LYS  20          1HG       LYS  20   5.517   8.663   4.088
  158   2HG   LYS  20          2HG       LYS  20   7.078   8.813   4.913
  159   1HD   LYS  20          1HD       LYS  20   6.665  10.993   5.295
  160   2HD   LYS  20          2HD       LYS  20   6.765  11.270   3.565
  161   1HE   LYS  20          1HE       LYS  20   4.693  12.083   3.804
  162   2HE   LYS  20          2HE       LYS  20   4.225  10.387   3.657
  163   1HZ   LYS  20          2HZ       LYS  20   4.250  10.317   6.122
  164   2HZ   LYS  20          3HZ       LYS  20   4.581  11.903   6.176
  165   3HZ   LYS  20          1HZ       LYS  20   3.160  11.439   5.545
  166    HA   PRO  21           HA       PRO  21  10.836   5.472   3.988
  167   1HB   PRO  21          1HB       PRO  21  13.192   6.692   3.371
  168   2HB   PRO  21          2HB       PRO  21  12.318   5.633   2.227
  169   1HG   PRO  21          1HG       PRO  21  12.225   8.657   2.401
  170   2HG   PRO  21          2HG       PRO  21  12.501   7.636   0.947
  171   1HD   PRO  21          1HD       PRO  21  10.045   8.647   1.586
  172   2HD   PRO  21          2HD       PRO  21  10.214   7.028   0.851
  173    H    THR  22           H        THR  22  10.122   8.946   4.303
  174    HA   THR  22           HA       THR  22  11.768   9.492   6.572
  175    HB   THR  22           HB       THR  22   9.907  11.390   6.669
  176    HG1  THR  22           HG1      THR  22   9.047  11.714   4.547
  177   1HG2  THR  22          2HG2      THR  22  12.275  11.676   5.950
  178   2HG2  THR  22          3HG2      THR  22  11.831  11.158   4.307
  179   3HG2  THR  22          1HG2      THR  22  11.162  12.655   4.988
  180    H    CYS  23           H        CSN  23   8.284   8.676   6.176
  181    HA   CYS  23           HA       CSN  23   7.623   8.472   8.892
  182   1HB   CYS  23          2HB       CSN  23   6.593   7.263   6.306
  183   2HB   CYS  23          3HB       CSN  23   5.891   6.771   7.814
  184    HA   PRO  24           HA       PRO  24   9.974   4.595   9.581
  185   1HB   PRO  24          1HB       PRO  24   9.713   4.440  12.291
  186   2HB   PRO  24          2HB       PRO  24  10.856   5.551  11.480
  187   1HG   PRO  24          1HG       PRO  24   8.107   6.197  12.578
  188   2HG   PRO  24          2HG       PRO  24   9.627   7.114  12.793
  189   1HD   PRO  24          1HD       PRO  24   7.731   7.726  10.907
  190   2HD   PRO  24          2HD       PRO  24   9.462   8.039  10.636
  191    H    TYR  25           H        TYR  25   6.633   5.463  10.400
  192    HA   TYR  25           HA       TYR  25   5.813   2.792  11.091
  193   1HB   TYR  25          1HB       TYR  25   4.377   5.327  10.218
  194   2HB   TYR  25          2HB       TYR  25   3.522   3.818  10.475
  195    HD1  TYR  25          2HD       TYR  25   3.705   2.605  12.673
  196    HD2  TYR  25          1HD       TYR  25   5.014   6.687  12.188
  197    HE1  TYR  25          2HE       TYR  25   3.457   2.953  15.080
  198    HE2  TYR  25          1HE       TYR  25   4.849   7.028  14.636
  199    HH   TYR  25           HH       TYR  25   3.117   4.741  16.645
  200    H    CYS  26           H        CYS  26   6.453   4.356   7.993
  201    HA   CYS  26           HA       CYS  26   4.932   2.409   6.425
  202   1HB   CYS  26          1HB       CYS  26   7.188   4.340   5.764
  203   2HB   CYS  26          2HB       CYS  26   6.522   3.185   4.610
  204    HG   CYS  26           HG       CYS  26   4.985   5.603   6.308
  205    H    ARG  27           H        ARG  27   8.153   2.599   7.911
  206    HA   ARG  27           HA       ARG  27   9.314   0.371   6.605
  207   1HB   ARG  27          1HB       ARG  27  10.307   2.241   8.258
  208   2HB   ARG  27          2HB       ARG  27   9.950   1.015   9.482
  209   1HG   ARG  27          1HG       ARG  27  11.232  -0.561   7.693
  210   2HG   ARG  27          2HG       ARG  27  11.908   0.991   7.220
  211   1HD   ARG  27          1HD       ARG  27  12.352   1.314   9.787
  212   2HD   ARG  27          2HD       ARG  27  12.112  -0.431   9.900
  213    HE   ARG  27           HE       ARG  27  14.419   0.972   9.020
  214   1HH1  ARG  27          2HH2      ARG  27  12.746  -2.116   8.332
  215   2HH1  ARG  27          1HH2      ARG  27  14.064  -2.736   7.391
  216   1HH2  ARG  27          2HH1      ARG  27  16.071   0.182   7.694
  217   2HH2  ARG  27          1HH1      ARG  27  16.018  -1.428   7.066
  218    H    ARG  28           H        ARG  28   7.083   0.566   9.384
  219    HA   ARG  28           HA       ARG  28   7.307  -2.207  10.113
  220   1HB   ARG  28          1HB       ARG  28   5.993  -0.572  11.488
  221   2HB   ARG  28          2HB       ARG  28   4.835  -0.428  10.195
  222   1HG   ARG  28          1HG       ARG  28   3.705  -2.000  11.437
  223   2HG   ARG  28          2HG       ARG  28   4.562  -3.063  10.401
  224   1HD   ARG  28          1HD       ARG  28   5.813  -2.307  13.070
  225   2HD   ARG  28          2HD       ARG  28   4.489  -3.458  12.999
  226    HE   ARG  28           HE       ARG  28   5.743  -5.036  11.933
  227   1HH1  ARG  28          2HH2      ARG  28   7.804  -2.196  12.613
  228   2HH1  ARG  28          1HH2      ARG  28   9.255  -3.012  12.129
  229   1HH2  ARG  28          2HH1      ARG  28   7.694  -6.118  11.465
  230   2HH2  ARG  28          1HH1      ARG  28   9.196  -5.284  11.420
  231    H    ALA  29           H        ALA  29   4.955  -0.576   8.061
  232    HA   ALA  29           HA       ALA  29   3.629  -2.831   7.116
  233   1HB   ALA  29          1HB       ALA  29   4.188  -0.250   5.621
  234   2HB   ALA  29          2HB       ALA  29   3.080  -1.513   5.051
  235   3HB   ALA  29          3HB       ALA  29   2.743  -0.706   6.591
  236    H    GLN  30           H        GLN  30   6.749  -1.504   5.804
  237    HA   GLN  30           HA       GLN  30   7.010  -3.254   3.692
  238   1HB   GLN  30          1HB       GLN  30   8.902  -1.726   5.497
  239   2HB   GLN  30          2HB       GLN  30   9.590  -3.122   4.676
  240   1HG   GLN  30          1HG       GLN  30   9.935  -1.634   3.005
  241   2HG   GLN  30          2HG       GLN  30   8.290  -2.193   2.634
  242   1HE2  GLN  30          2HE2      GLN  30   7.033   1.116   2.912
  243   2HE2  GLN  30          1HE2      GLN  30   6.859  -0.523   2.265
  244    H    GLU  31           H        GLU  31   7.947  -3.905   7.098
  245    HA   GLU  31           HA       GLU  31   8.998  -6.495   6.302
  246   1HB   GLU  31          1HB       GLU  31   9.092  -4.690   8.613
  247   2HB   GLU  31          2HB       GLU  31   8.538  -6.273   9.135
  248   1HG   GLU  31          1HG       GLU  31  10.490  -7.310   7.965
  249   2HG   GLU  31          2HG       GLU  31  11.038  -5.692   7.506
  250    H    ILE  32           H        ILE  32   6.103  -5.254   7.898
  251    HA   ILE  32           HA       ILE  32   4.737  -7.664   8.476
  252    HB   ILE  32           HB       ILE  32   4.020  -4.832   7.773
  253   1HG1  ILE  32          1HG1      ILE  32   3.631  -6.694  10.158
  254   2HG1  ILE  32          2HG1      ILE  32   4.696  -5.300  10.044
  255   1HG2  ILE  32          1HG2      ILE  32   2.206  -6.043   6.645
  256   2HG2  ILE  32          2HG2      ILE  32   1.851  -6.884   8.183
  257   3HG2  ILE  32          3HG2      ILE  32   1.650  -5.121   8.013
  258   1HD1  ILE  32          1HD1      ILE  32   2.535  -3.874   9.861
  259   2HD1  ILE  32          2HD1      ILE  32   1.661  -5.351  10.315
  260   3HD1  ILE  32          3HD1      ILE  32   2.846  -4.660  11.429
  261    H    LEU  33           H        LEU  33   4.702  -5.695   5.420
  262    HA   LEU  33           HA       LEU  33   3.003  -7.734   4.306
  263   1HB   LEU  33          1HB       LEU  33   4.170  -5.190   3.154
  264   2HB   LEU  33          2HB       LEU  33   3.583  -6.423   2.076
  265    HG   LEU  33           HG       LEU  33   1.843  -5.025   4.177
  266   1HD1  LEU  33          2HD1      LEU  33   2.447  -3.634   2.301
  267   2HD1  LEU  33          3HD1      LEU  33   1.823  -4.865   1.161
  268   3HD1  LEU  33          1HD1      LEU  33   0.730  -4.068   2.283
  269   1HD2  LEU  33          3HD2      LEU  33   1.228  -7.229   2.137
  270   2HD2  LEU  33          1HD2      LEU  33   0.965  -7.286   3.891
  271   3HD2  LEU  33          2HD2      LEU  33  -0.013  -6.213   2.892
  272    H    SER  34           H        SER  34   6.558  -6.828   3.855
  273    HA   SER  34           HA       SER  34   6.871  -8.799   1.816
  274   1HB   SER  34          1HB       SER  34   9.213  -8.550   2.076
  275   2HB   SER  34          2HB       SER  34   8.462  -6.956   2.242
  276    HG   SER  34           HG       SER  34   9.664  -6.909   3.937
  277    H    GLN  35           H        GLN  35   6.630  -9.309   5.317
  278    HA   GLN  35           HA       GLN  35   7.984 -11.871   5.258
  279   1HB   GLN  35          1HB       GLN  35   6.124 -10.474   7.207
  280   2HB   GLN  35          2HB       GLN  35   6.476 -12.191   7.386
  281   1HG   GLN  35          1HG       GLN  35   8.894 -11.757   7.473
  282   2HG   GLN  35          2HG       GLN  35   8.609 -10.026   7.291
  283   1HE2  GLN  35          2HE2      GLN  35   7.262 -11.744  10.851
  284   2HE2  GLN  35          1HE2      GLN  35   6.895 -12.511   9.350
  285    H    LEU  36           H        LEU  36   4.797 -10.832   4.167
  286    HA   LEU  36           HA       LEU  36   3.677 -13.519   4.360
  287   1HB   LEU  36          1HB       LEU  36   2.678 -11.001   2.984
  288   2HB   LEU  36          2HB       LEU  36   1.777 -12.493   3.216
  289    HG   LEU  36           HG       LEU  36   2.740 -10.569   5.369
  290   1HD1  LEU  36          3HD1      LEU  36   0.814  -9.778   4.088
  291   2HD1  LEU  36          1HD1      LEU  36  -0.072 -11.270   4.472
  292   3HD1  LEU  36          2HD1      LEU  36   0.385 -10.150   5.770
  293   1HD2  LEU  36          2HD2      LEU  36   1.191 -13.162   5.771
  294   2HD2  LEU  36          3HD2      LEU  36   2.832 -12.804   6.336
  295   3HD2  LEU  36          1HD2      LEU  36   1.475 -11.921   7.007
  296    HA   PRO  37           HA       PRO  37   5.476 -14.571   0.398
  297   1HB   PRO  37          1HB       PRO  37   3.498 -16.487  -0.376
  298   2HB   PRO  37          2HB       PRO  37   5.050 -16.798   0.436
  299   1HG   PRO  37          1HG       PRO  37   2.364 -16.901   1.588
  300   2HG   PRO  37          2HG       PRO  37   3.910 -17.427   2.289
  301   1HD   PRO  37          1HD       PRO  37   2.402 -15.049   2.901
  302   2HD   PRO  37          2HD       PRO  37   3.975 -15.563   3.574
  303    H    ILE  38           H        ILE  38   5.268 -13.335  -1.515
  304    HA   ILE  38           HA       ILE  38   2.600 -13.150  -2.770
  305    HB   ILE  38           HB       ILE  38   4.397 -10.842  -1.692
  306   1HG1  ILE  38          1HG1      ILE  38   1.815  -9.840  -1.571
  307   2HG1  ILE  38          2HG1      ILE  38   1.516 -11.555  -1.295
  308   1HG2  ILE  38          2HG2      ILE  38   2.483 -10.439  -3.998
  309   2HG2  ILE  38          3HG2      ILE  38   3.221  -9.136  -3.040
  310   3HG2  ILE  38          1HG2      ILE  38   4.254 -10.184  -3.955
  311   1HD1  ILE  38          3HD1      ILE  38   3.670 -10.106   0.270
  312   2HD1  ILE  38          1HD1      ILE  38   1.970  -9.895   0.680
  313   3HD1  ILE  38          2HD1      ILE  38   2.684 -11.513   0.715
  314    H    LYS  39           H        LYS  39   2.878 -12.744  -5.059
  315    HA   LYS  39           HA       LYS  39   5.090 -13.782  -6.217
  316   1HB   LYS  39          1HB       LYS  39   2.651 -12.438  -7.113
  317   2HB   LYS  39          2HB       LYS  39   4.002 -12.205  -8.226
  318   1HG   LYS  39          1HG       LYS  39   3.480 -14.953  -7.095
  319   2HG   LYS  39          2HG       LYS  39   2.392 -14.356  -8.322
  320   1HD   LYS  39          1HD       LYS  39   5.422 -14.615  -8.597
  321   2HD   LYS  39          2HD       LYS  39   4.236 -15.753  -9.245
  322   1HE   LYS  39          1HE       LYS  39   3.630 -13.013 -10.091
  323   2HE   LYS  39          2HE       LYS  39   5.301 -13.414 -10.479
  324   1HZ   LYS  39          1HZ       LYS  39   2.946 -15.002 -11.308
  325   2HZ   LYS  39          2HZ       LYS  39   3.777 -13.935 -12.231
  326   3HZ   LYS  39          3HZ       LYS  39   4.530 -15.289 -11.752
  327    H    GLN  40           H        GLN  40   7.093 -12.976  -6.863
  328    HA   GLN  40           HA       GLN  40   7.852 -10.667  -5.466
  329   1HB   GLN  40          1HB       GLN  40   9.282 -12.733  -6.277
  330   2HB   GLN  40          2HB       GLN  40   9.551 -11.774  -7.734
  331   1HG   GLN  40          1HG       GLN  40  11.368 -11.400  -6.126
  332   2HG   GLN  40          2HG       GLN  40  10.432  -9.907  -6.290
  333   1HE2  GLN  40          2HE2      GLN  40   9.612  -9.834  -2.832
  334   2HE2  GLN  40          1HE2      GLN  40  10.079  -8.918  -4.223
  335    H    GLY  41           H        GLY  41   7.752  -8.550  -5.936
  336   1HA   GLY  41          1HA       GLY  41   8.088  -6.654  -7.285
  337   2HA   GLY  41          2HA       GLY  41   7.848  -7.602  -8.751
  338    H    LEU  42           H        LEU  42   5.287  -8.677  -6.741
  339    HA   LEU  42           HA       LEU  42   3.406  -6.740  -7.802
  340   1HB   LEU  42          1HB       LEU  42   3.106  -8.690  -5.512
  341   2HB   LEU  42          2HB       LEU  42   1.870  -7.721  -6.273
  342    HG   LEU  42           HG       LEU  42   3.158 -10.226  -7.245
  343   1HD1  LEU  42          1HD1      LEU  42   1.028 -10.163  -5.945
  344   2HD1  LEU  42          2HD1      LEU  42   0.311  -9.218  -7.278
  345   3HD1  LEU  42          3HD1      LEU  42   0.856 -10.881  -7.568
  346   1HD2  LEU  42          1HD2      LEU  42   1.820  -8.225  -9.073
  347   2HD2  LEU  42          2HD2      LEU  42   3.461  -8.916  -9.175
  348   3HD2  LEU  42          3HD2      LEU  42   2.052  -9.950  -9.437
  349    H    LEU  43           H        LEU  43   5.352  -7.260  -4.783
  350    HA   LEU  43           HA       LEU  43   3.680  -5.363  -3.346
  351   1HB   LEU  43          1HB       LEU  43   5.048  -7.544  -2.471
  352   2HB   LEU  43          2HB       LEU  43   6.224  -6.304  -2.135
  353    HG   LEU  43           HG       LEU  43   5.136  -6.291  -0.170
  354   1HD1  LEU  43          1HD1      LEU  43   4.819  -3.987  -1.132
  355   2HD1  LEU  43          2HD1      LEU  43   3.132  -4.433  -1.458
  356   3HD1  LEU  43          3HD1      LEU  43   3.762  -4.435   0.195
  357   1HD2  LEU  43          1HD2      LEU  43   2.647  -7.122  -1.670
  358   2HD2  LEU  43          2HD2      LEU  43   3.617  -8.033  -0.518
  359   3HD2  LEU  43          3HD2      LEU  43   2.609  -6.704   0.055
  360    H    GLU  44           H        GLU  44   3.898  -3.327  -4.098
  361    HA   GLU  44           HA       GLU  44   6.625  -2.316  -4.761
  362   1HB   GLU  44          1HB       GLU  44   5.051  -2.975  -6.582
  363   2HB   GLU  44          2HB       GLU  44   3.996  -1.651  -6.056
  364   1HG   GLU  44          1HG       GLU  44   5.847  -0.059  -6.380
  365   2HG   GLU  44          2HG       GLU  44   6.957  -1.371  -6.744
  366    H    PHE  45           H        PHE  45   7.232  -1.138  -3.084
  367    HA   PHE  45           HA       PHE  45   5.358   0.469  -1.522
  368   1HB   PHE  45          1HB       PHE  45   8.363   0.036  -1.296
  369   2HB   PHE  45          2HB       PHE  45   7.356   0.843  -0.110
  370    HD1  PHE  45          1HD       PHE  45   5.277  -0.569   0.794
  371    HD2  PHE  45          2HD       PHE  45   8.793  -2.288  -1.023
  372    HE1  PHE  45          1HE       PHE  45   4.839  -2.722   1.966
  373    HE2  PHE  45          2HE       PHE  45   8.323  -4.436   0.106
  374    HZ   PHE  45           HZ       PHE  45   6.363  -4.655   1.622
  375    H    VAL  46           H        VAL  46   4.672   2.212  -2.755
  376    HA   VAL  46           HA       VAL  46   6.576   3.606  -4.498
  377    HB   VAL  46           HB       VAL  46   3.562   3.879  -4.183
  378   1HG1  VAL  46          3HG1      VAL  46   5.491   4.964  -6.290
  379   2HG1  VAL  46          1HG1      VAL  46   3.729   5.117  -6.337
  380   3HG1  VAL  46          2HG1      VAL  46   4.636   5.929  -5.068
  381   1HG2  VAL  46          3HG2      VAL  46   5.226   2.418  -6.278
  382   2HG2  VAL  46          1HG2      VAL  46   4.125   1.684  -5.095
  383   3HG2  VAL  46          2HG2      VAL  46   3.473   2.709  -6.372
  384    H    ASP  47           H        ASP  47   7.738   5.144  -3.591
  385    HA   ASP  47           HA       ASP  47   7.215   6.580  -1.229
  386   1HB   ASP  47          1HB       ASP  47   9.378   6.070  -2.358
  387   2HB   ASP  47          2HB       ASP  47   9.017   7.287  -3.571
  388    H    ILE  48           H        ILE  48   5.791   8.216  -0.865
  389    HA   ILE  48           HA       ILE  48   4.660   9.832  -3.060
  390    HB   ILE  48           HB       ILE  48   3.269  10.882  -1.426
  391   1HG1  ILE  48          1HG1      ILE  48   4.246   9.129   0.838
  392   2HG1  ILE  48          2HG1      ILE  48   4.795  10.782   0.589
  393   1HG2  ILE  48          1HG2      ILE  48   2.687   8.623  -2.484
  394   2HG2  ILE  48          2HG2      ILE  48   3.291   7.822  -1.025
  395   3HG2  ILE  48          3HG2      ILE  48   1.862   8.867  -0.941
  396   1HD1  ILE  48          1HD1      ILE  48   2.412  11.562   0.649
  397   2HD1  ILE  48          2HD1      ILE  48   1.911   9.907   1.042
  398   3HD1  ILE  48          3HD1      ILE  48   2.942  10.805   2.154
  399    H    THR  49           H        THR  49   7.347  10.142  -0.857
  400    HA   THR  49           HA       THR  49   7.141  13.087  -1.058
  401    HB   THR  49           HB       THR  49   7.496  11.896   1.132
  402    HG1  THR  49           HG1      THR  49   9.179  14.009   0.314
  403   1HG2  THR  49          1HG2      THR  49  10.336  11.579   0.109
  404   2HG2  THR  49          2HG2      THR  49   9.860  11.554   1.825
  405   3HG2  THR  49          3HG2      THR  49   9.222  10.345   0.728
  406    H    ALA  50           H        ALA  50   8.289  10.544  -2.820
  407    HA   ALA  50           HA       ALA  50  10.769  10.814  -3.655
  408   1HB   ALA  50          3HB       ALA  50   8.349  10.471  -5.475
  409   2HB   ALA  50          1HB       ALA  50  10.020  10.066  -5.910
  410   3HB   ALA  50          2HB       ALA  50   9.215   9.200  -4.598
  411    H    THR  51           H        THR  51   8.223  12.878  -5.151
  412    HA   THR  51           HA       THR  51   9.786  15.234  -5.115
  413    HB   THR  51           HB       THR  51  10.599  13.514  -7.212
  414    HG1  THR  51           HG1      THR  51  11.129  16.254  -7.309
  415   1HG2  THR  51          3HG2      THR  51   9.192  15.966  -8.296
  416   2HG2  THR  51          1HG2      THR  51  10.282  14.870  -9.164
  417   3HG2  THR  51          2HG2      THR  51   8.717  14.270  -8.578
  418    H    ASN  52           H        ASN  52   7.185  13.348  -6.473
  419    HA   ASN  52           HA       ASN  52   5.776  14.970  -7.959
  420   1HB   ASN  52          1HB       ASN  52   5.205  12.539  -6.452
  421   2HB   ASN  52          2HB       ASN  52   3.784  13.569  -6.454
  422   1HD2  ASN  52          2HD2      ASN  52   2.963  13.043  -9.850
  423   2HD2  ASN  52          1HD2      ASN  52   2.684  13.987  -8.401
  424    H    HIS  53           H        HIS  53   5.355  14.960  -4.473
  425    HA   HIS  53           HA       HIS  53   4.691  16.905  -3.237
  426   1HB   HIS  53          1HB       HIS  53   2.511  17.214  -5.313
  427   2HB   HIS  53          2HB       HIS  53   2.363  17.799  -3.675
  428    HD1  HIS  53          1HD       HIS  53   4.421  19.525  -2.819
  429    HD2  HIS  53          2HD       HIS  53   3.606  19.036  -6.928
  430    HE1  HIS  53          1HE       HIS  53   5.297  21.613  -3.984
  431    H    THR  54           H        THR  54   4.820  15.045  -1.987
  432    HA   THR  54           HA       THR  54   2.966  13.193  -1.226
  433    HB   THR  54           HB       THR  54   4.675  12.994   0.120
  434    HG1  THR  54           HG1      THR  54   4.469  14.056   2.215
  435   1HG2  THR  54          3HG2      THR  54   5.923  14.873  -0.621
  436   2HG2  THR  54          1HG2      THR  54   4.950  15.929   0.465
  437   3HG2  THR  54          2HG2      THR  54   6.044  14.673   1.123
  438    H    ASN  55           H        ASN  55   3.021  16.412   0.014
  439    HA   ASN  55           HA       ASN  55   0.717  16.573   1.517
  440   1HB   ASN  55          1HB       ASN  55   2.244  18.505   1.146
  441   2HB   ASN  55          2HB       ASN  55   1.496  18.794  -0.422
  442   1HD2  ASN  55          2HD2      ASN  55  -1.304  20.529   0.968
  443   2HD2  ASN  55          1HD2      ASN  55  -0.535  19.956  -0.482
  444    H    GLU  56           H        GLU  56   0.584  17.225  -2.145
  445    HA   GLU  56           HA       GLU  56  -2.209  17.371  -2.252
  446   1HB   GLU  56          1HB       GLU  56   0.048  17.760  -3.835
  447   2HB   GLU  56          2HB       GLU  56  -0.588  16.293  -4.531
  448   1HG   GLU  56          1HG       GLU  56  -2.278  18.772  -4.003
  449   2HG   GLU  56          2HG       GLU  56  -1.273  18.530  -5.429
  450    H    ILE  57           H        ILE  57   0.153  14.708  -2.687
  451    HA   ILE  57           HA       ILE  57  -1.743  12.816  -3.629
  452    HB   ILE  57           HB       ILE  57   1.065  12.719  -2.426
  453   1HG1  ILE  57          1HG1      ILE  57   0.054  11.563  -5.061
  454   2HG1  ILE  57          2HG1      ILE  57   0.513  13.262  -4.855
  455   1HG2  ILE  57          1HG2      ILE  57  -0.684  10.280  -2.900
  456   2HG2  ILE  57          2HG2      ILE  57   1.076  10.204  -2.873
  457   3HG2  ILE  57          3HG2      ILE  57   0.208  10.729  -1.434
  458   1HD1  ILE  57          1HD1      ILE  57   2.787  12.655  -4.256
  459   2HD1  ILE  57          2HD1      ILE  57   2.409  10.925  -4.418
  460   3HD1  ILE  57          3HD1      ILE  57   2.322  11.975  -5.831
  461    H    GLN  58           H        GLN  58  -0.852  13.887  -0.398
  462    HA   GLN  58           HA       GLN  58  -2.080  11.766   1.100
  463   1HB   GLN  58          1HB       GLN  58  -1.019  14.576   1.599
  464   2HB   GLN  58          2HB       GLN  58  -2.094  13.871   2.796
  465   1HG   GLN  58          1HG       GLN  58   0.530  12.636   1.898
  466   2HG   GLN  58          2HG       GLN  58   0.276  13.608   3.331
  467   1HE2  GLN  58          2HE2      GLN  58  -1.084   9.719   3.275
  468   2HE2  GLN  58          1HE2      GLN  58  -0.219  10.416   1.918
  469    H    ASP  59           H        ASP  59  -3.119  15.110   0.250
  470    HA   ASP  59           HA       ASP  59  -5.758  15.116   1.197
  471   1HB   ASP  59          1HB       ASP  59  -4.370  16.973   0.133
  472   2HB   ASP  59          2HB       ASP  59  -4.745  16.339  -1.417
  473    H    TYR  60           H        TYR  60  -4.653  14.494  -2.019
  474    HA   TYR  60           HA       TYR  60  -7.182  13.324  -2.863
  475   1HB   TYR  60          1HB       TYR  60  -5.728  14.758  -4.249
  476   2HB   TYR  60          2HB       TYR  60  -4.568  13.491  -4.344
  477    HD1  TYR  60          2HD       TYR  60  -7.977  12.101  -4.686
  478    HD2  TYR  60          1HD       TYR  60  -4.811  14.132  -6.811
  479    HE1  TYR  60          2HE       TYR  60  -8.577  10.891  -6.706
  480    HE2  TYR  60          1HE       TYR  60  -5.457  12.951  -8.878
  481    HH   TYR  60           HH       TYR  60  -8.298  10.830  -9.099
  482    H    LEU  61           H        LEU  61  -4.833  11.746  -0.934
  483    HA   LEU  61           HA       LEU  61  -5.825   9.092  -1.842
  484   1HB   LEU  61          1HB       LEU  61  -3.871   9.975   0.291
  485   2HB   LEU  61          2HB       LEU  61  -4.641   8.404   0.395
  486    HG   LEU  61           HG       LEU  61  -3.195   9.284  -2.102
  487   1HD1  LEU  61          3HD1      LEU  61  -2.018   7.802   0.308
  488   2HD1  LEU  61          1HD1      LEU  61  -1.198   8.053  -1.255
  489   3HD1  LEU  61          2HD1      LEU  61  -1.592   9.438  -0.227
  490   1HD2  LEU  61          2HD2      LEU  61  -4.687   7.307  -2.283
  491   2HD2  LEU  61          3HD2      LEU  61  -2.983   6.857  -2.475
  492   3HD2  LEU  61          1HD2      LEU  61  -3.826   6.537  -0.940
  493    H    GLN  62           H        GLN  62  -6.195  11.515   0.722
  494    HA   GLN  62           HA       GLN  62  -8.109  10.272   2.383
  495   1HB   GLN  62          1HB       GLN  62  -6.905  12.718   2.380
  496   2HB   GLN  62          2HB       GLN  62  -8.375  13.160   1.548
  497   1HG   GLN  62          1HG       GLN  62  -9.722  12.397   3.447
  498   2HG   GLN  62          2HG       GLN  62  -8.250  12.011   4.334
  499   1HE2  GLN  62          2HE2      GLN  62  -9.110  16.004   3.399
  500   2HE2  GLN  62          1HE2      GLN  62  -9.872  14.677   2.542
  501    H    GLN  63           H        GLN  63  -8.586  12.248  -0.577
  502    HA   GLN  63           HA       GLN  63 -11.337  11.537  -0.735
  503   1HB   GLN  63          1HB       GLN  63  -9.769  13.373  -2.034
  504   2HB   GLN  63          2HB       GLN  63  -9.984  12.187  -3.317
  505   1HG   GLN  63          1HG       GLN  63 -12.126  13.695  -1.765
  506   2HG   GLN  63          2HG       GLN  63 -11.769  13.809  -3.490
  507   1HE2  GLN  63          2HE2      GLN  63 -14.345  10.955  -2.069
  508   2HE2  GLN  63          1HE2      GLN  63 -13.807  12.327  -1.162
  509    H    LEU  64           H        LEU  64  -8.541  10.223  -2.651
  510    HA   LEU  64           HA       LEU  64 -10.157   8.615  -4.261
  511   1HB   LEU  64          1HB       LEU  64  -7.984   9.157  -5.050
  512   2HB   LEU  64          2HB       LEU  64  -7.257   8.587  -3.545
  513    HG   LEU  64           HG       LEU  64  -7.633   6.232  -4.176
  514   1HD1  LEU  64          3HD1      LEU  64  -8.305   7.503  -6.887
  515   2HD1  LEU  64          1HD1      LEU  64  -7.976   5.781  -6.616
  516   3HD1  LEU  64          2HD1      LEU  64  -9.391   6.527  -5.878
  517   1HD2  LEU  64          1HD2      LEU  64  -5.449   7.502  -4.559
  518   2HD2  LEU  64          2HD2      LEU  64  -5.730   6.086  -5.575
  519   3HD2  LEU  64          3HD2      LEU  64  -5.983   7.677  -6.270
  520    H    THR  65           H        THR  65  -8.967   7.868  -1.021
  521    HA   THR  65           HA       THR  65 -10.143   5.137  -1.277
  522    HB   THR  65           HB       THR  65  -8.439   4.238   0.079
  523    HG1  THR  65           HG1      THR  65  -7.476   6.889   0.429
  524   1HG2  THR  65          1HG2      THR  65  -7.882   4.555  -2.313
  525   2HG2  THR  65          2HG2      THR  65  -7.023   6.067  -1.905
  526   3HG2  THR  65          3HG2      THR  65  -6.437   4.530  -1.277
  527    H    GLY  66           H        GLY  66 -10.223   8.113   0.664
  528   1HA   GLY  66          1HA       GLY  66 -12.125   8.457   2.000
  529   2HA   GLY  66          2HA       GLY  66 -12.172   6.751   2.434
  530    H    ALA  67           H        ALA  67  -8.916   7.510   2.497
  531    HA   ALA  67           HA       ALA  67  -8.688   9.113   4.858
  532   1HB   ALA  67          2HB       ALA  67  -8.208   6.105   4.991
  533   2HB   ALA  67          3HB       ALA  67  -7.443   7.247   6.119
  534   3HB   ALA  67          1HB       ALA  67  -9.212   7.108   6.061
  535    H    ARG  68           H        ARG  68  -6.302   9.498   5.235
  536    HA   ARG  68           HA       ARG  68  -4.892   9.185   2.593
  537   1HB   ARG  68          1HB       ARG  68  -3.633  11.136   3.071
  538   2HB   ARG  68          2HB       ARG  68  -5.348  11.486   3.151
  539   1HG   ARG  68          1HG       ARG  68  -3.859  10.932   5.721
  540   2HG   ARG  68          2HG       ARG  68  -3.621  12.470   4.892
  541   1HD   ARG  68          1HD       ARG  68  -5.824  13.158   5.132
  542   2HD   ARG  68          2HD       ARG  68  -6.427  11.526   5.375
  543    HE   ARG  68           HE       ARG  68  -6.081  11.663   7.572
  544   1HH1  ARG  68          2HH2      ARG  68  -4.413  14.417   6.071
  545   2HH1  ARG  68          1HH2      ARG  68  -3.789  15.034   7.559
  546   1HH2  ARG  68          2HH1      ARG  68  -5.339  12.525   9.581
  547   2HH2  ARG  68          1HH1      ARG  68  -4.217  13.847   9.604
  548    H    THR  69           H        THR  69  -4.577   8.242   5.931
  549    HA   THR  69           HA       THR  69  -1.928   8.776   6.391
  550    HB   THR  69           HB       THR  69  -2.274   6.692   7.997
  551    HG1  THR  69           HG1      THR  69  -4.752   6.589   8.221
  552   1HG2  THR  69          1HG2      THR  69  -2.451   9.089   8.647
  553   2HG2  THR  69          2HG2      THR  69  -4.160   9.094   8.147
  554   3HG2  THR  69          3HG2      THR  69  -3.611   8.062   9.492
  555    H    VAL  70           H        VAL  70  -0.041   7.904   6.107
  556    HA   VAL  70           HA       VAL  70   0.160   5.600   4.266
  557    HB   VAL  70           HB       VAL  70   2.624   6.399   4.162
  558   1HG1  VAL  70          2HG1      VAL  70   1.008   6.418   2.297
  559   2HG1  VAL  70          3HG1      VAL  70   0.412   7.995   2.822
  560   3HG1  VAL  70          1HG1      VAL  70   2.092   7.814   2.250
  561   1HG2  VAL  70          3HG2      VAL  70   2.433   8.149   5.953
  562   2HG2  VAL  70          1HG2      VAL  70   2.994   8.780   4.396
  563   3HG2  VAL  70          2HG2      VAL  70   1.322   9.065   4.909
  564    HA   PRO  71           HA       PRO  71   2.128   3.972   3.910
  565   1HB   PRO  71          1HB       PRO  71   1.943   1.279   4.480
  566   2HB   PRO  71          2HB       PRO  71   3.415   2.237   4.806
  567   1HG   PRO  71          1HG       PRO  71   1.209   1.504   6.748
  568   2HG   PRO  71          2HG       PRO  71   2.984   1.409   6.999
  569   1HD   PRO  71          1HD       PRO  71   1.544   3.476   7.939
  570   2HD   PRO  71          2HD       PRO  71   3.190   3.708   7.300
  571    H    ARG  72           H        ARG  72   0.586   3.257   2.345
  572    HA   ARG  72           HA       ARG  72  -2.194   2.755   3.340
  573   1HB   ARG  72          1HB       ARG  72  -1.775   5.129   2.634
  574   2HB   ARG  72          2HB       ARG  72  -1.336   4.573   1.037
  575   1HG   ARG  72          1HG       ARG  72  -3.480   4.296   0.394
  576   2HG   ARG  72          2HG       ARG  72  -3.939   3.481   1.893
  577   1HD   ARG  72          1HD       ARG  72  -3.563   6.497   1.746
  578   2HD   ARG  72          2HD       ARG  72  -5.101   5.710   1.396
  579    HE   ARG  72           HE       ARG  72  -3.647   5.748   3.988
  580   1HH1  ARG  72          2HH2      ARG  72  -6.728   5.067   2.316
  581   2HH1  ARG  72          1HH2      ARG  72  -7.433   4.279   3.688
  582   1HH2  ARG  72          2HH1      ARG  72  -4.821   5.268   5.905
  583   2HH2  ARG  72          1HH1      ARG  72  -6.374   4.488   5.767
  584    H    VAL  73           H        VAL  73  -2.580   0.643   2.756
  585    HA   VAL  73           HA       VAL  73  -1.057  -0.492   0.500
  586    HB   VAL  73           HB       VAL  73  -2.817  -1.736   2.644
  587   1HG1  VAL  73          2HG1      VAL  73  -1.238  -3.111   0.399
  588   2HG1  VAL  73          3HG1      VAL  73  -1.965  -3.941   1.793
  589   3HG1  VAL  73          1HG1      VAL  73  -2.985  -3.138   0.616
  590   1HG2  VAL  73          2HG2      VAL  73   0.200  -1.724   2.230
  591   2HG2  VAL  73          3HG2      VAL  73  -0.702  -0.929   3.550
  592   3HG2  VAL  73          1HG2      VAL  73  -0.630  -2.682   3.420
  593    H    PHE  74           H        PHE  74  -1.846  -0.740  -1.445
  594    HA   PHE  74           HA       PHE  74  -4.739  -1.120  -1.889
  595   1HB   PHE  74          1HB       PHE  74  -2.570  -0.025  -3.696
  596   2HB   PHE  74          2HB       PHE  74  -3.926  -0.907  -4.348
  597    HD1  PHE  74          1HD       PHE  74  -6.236  -0.137  -4.047
  598    HD2  PHE  74          2HD       PHE  74  -2.862   2.306  -3.001
  599    HE1  PHE  74          1HE       PHE  74  -7.633   1.873  -4.364
  600    HE2  PHE  74          2HE       PHE  74  -4.255   4.356  -3.334
  601    HZ   PHE  74           HZ       PHE  74  -6.612   4.136  -4.101
  602    H    ILE  75           H        ILE  75  -5.037  -3.288  -1.742
  603    HA   ILE  75           HA       ILE  75  -3.074  -5.111  -3.060
  604    HB   ILE  75           HB       ILE  75  -5.041  -5.513  -0.878
  605   1HG1  ILE  75          1HG1      ILE  75  -3.583  -7.646  -0.641
  606   2HG1  ILE  75          2HG1      ILE  75  -2.560  -6.905  -1.890
  607   1HG2  ILE  75          1HG2      ILE  75  -4.834  -7.528  -3.176
  608   2HG2  ILE  75          2HG2      ILE  75  -5.541  -7.879  -1.607
  609   3HG2  ILE  75          3HG2      ILE  75  -6.318  -6.701  -2.652
  610   1HD1  ILE  75          3HD1      ILE  75  -2.196  -5.044  -0.398
  611   2HD1  ILE  75          1HD1      ILE  75  -3.184  -5.851   0.854
  612   3HD1  ILE  75          2HD1      ILE  75  -1.662  -6.590   0.287
  613    H    GLY  76           H        GLY  76  -3.403  -5.089  -5.204
  614   1HA   GLY  76          1HA       GLY  76  -4.357  -4.851  -7.240
  615   2HA   GLY  76          2HA       GLY  76  -5.532  -5.991  -6.585
  616    H    LYS  77           H        LYS  77  -4.844  -2.516  -6.731
  617    HA   LYS  77           HA       LYS  77  -6.137  -0.656  -6.543
  618   1HB   LYS  77          1HB       LYS  77  -6.757  -2.142  -8.881
  619   2HB   LYS  77          2HB       LYS  77  -8.307  -1.583  -8.282
  620   1HG   LYS  77          1HG       LYS  77  -7.133   0.727  -7.982
  621   2HG   LYS  77          2HG       LYS  77  -5.816   0.039  -8.948
  622   1HD   LYS  77          1HD       LYS  77  -7.417  -0.341 -10.827
  623   2HD   LYS  77          2HD       LYS  77  -8.690   0.435  -9.855
  624   1HE   LYS  77          1HE       LYS  77  -7.246   2.468  -9.627
  625   2HE   LYS  77          2HE       LYS  77  -6.022   1.702 -10.645
  626   1HZ   LYS  77          2HZ       LYS  77  -7.675   1.682 -12.439
  627   2HZ   LYS  77          3HZ       LYS  77  -8.751   2.474 -11.469
  628   3HZ   LYS  77          1HZ       LYS  77  -7.360   3.203 -11.900
  629    H    ASP  78           H        ASP  78  -7.044  -2.902  -4.493
  630    HA   ASP  78           HA       ASP  78  -9.398  -1.288  -3.649
  631   1HB   ASP  78          1HB       ASP  78  -9.824  -3.743  -4.015
  632   2HB   ASP  78          2HB       ASP  78  -8.671  -4.088  -2.722
  633    H    CYS  79           H        CYS  79  -8.956   0.018  -1.933
  634    HA   CYS  79           HA       CYS  79  -6.260  -0.091  -0.760
  635   1HB   CYS  79          1HB       CYS  79  -7.240   2.063  -1.607
  636   2HB   CYS  79          2HB       CYS  79  -8.405   2.000  -0.271
  637    HG   CYS  79           HG       CYS  79  -6.528   3.646   0.386
  638    H    ILE  80           H        ILE  80  -6.074  -1.591   0.968
  639    HA   ILE  80           HA       ILE  80  -8.517  -2.246   2.386
  640    HB   ILE  80           HB       ILE  80  -7.349  -4.097   3.185
  641   1HG1  ILE  80          1HG1      ILE  80  -4.978  -4.620   2.524
  642   2HG1  ILE  80          2HG1      ILE  80  -4.766  -2.919   2.107
  643   1HG2  ILE  80          1HG2      ILE  80  -8.104  -4.051   0.782
  644   2HG2  ILE  80          2HG2      ILE  80  -6.428  -3.753   0.312
  645   3HG2  ILE  80          3HG2      ILE  80  -6.852  -5.252   1.163
  646   1HD1  ILE  80          1HD1      ILE  80  -5.775  -3.645   4.861
  647   2HD1  ILE  80          2HD1      ILE  80  -4.075  -3.902   4.473
  648   3HD1  ILE  80          3HD1      ILE  80  -4.762  -2.271   4.363
  649    H    GLY  81           H        GLY  81  -6.054   0.066   2.902
  650   1HA   GLY  81          1HA       GLY  81  -7.018   1.580   4.688
  651   2HA   GLY  81          2HA       GLY  81  -6.749   0.228   5.796
  652    H    GLY  82           H        GLY  82  -5.480   1.804   6.950
  653   1HA   GLY  82          1HA       GLY  82  -2.775   2.311   5.908
  654   2HA   GLY  82          2HA       GLY  82  -3.525   3.131   7.296
  655    H    CYS  83           H        CYS  83  -1.690   2.411   8.705
  656    HA   CYS  83           HA       CYS  83  -0.741  -0.283   8.434
  657   1HB   CYS  83          1HB       CYS  83   0.384   2.090   9.288
  658   2HB   CYS  83          2HB       CYS  83   0.074   1.277  10.827
  659    HG   CYS  83           HG       CYS  83   2.532   0.855  10.139
  660    H    SER  84           H        SER  84  -2.808   1.484  10.798
  661    HA   SER  84           HA       SER  84  -2.714  -0.616  12.665
  662   1HB   SER  84          1HB       SER  84  -4.889   1.494  12.364
  663   2HB   SER  84          2HB       SER  84  -4.594   0.494  13.795
  664    HG   SER  84           HG       SER  84  -3.417   2.204  14.280
  665    H    ASP  85           H        ASP  85  -4.823   0.059   9.931
  666    HA   ASP  85           HA       ASP  85  -6.712  -2.116  10.331
  667   1HB   ASP  85          1HB       ASP  85  -5.941  -0.349   7.976
  668   2HB   ASP  85          2HB       ASP  85  -7.038  -1.711   7.787
  669    H    LEU  86           H        LEU  86  -3.796  -1.621   8.326
  670    HA   LEU  86           HA       LEU  86  -3.621  -4.028   7.020
  671   1HB   LEU  86          1HB       LEU  86  -2.178  -2.047   6.632
  672   2HB   LEU  86          2HB       LEU  86  -1.366  -2.343   8.172
  673    HG   LEU  86           HG       LEU  86  -0.502  -4.511   7.287
  674   1HD1  LEU  86          1HD1      LEU  86  -1.954  -3.528   4.805
  675   2HD1  LEU  86          2HD1      LEU  86  -0.668  -4.762   4.757
  676   3HD1  LEU  86          3HD1      LEU  86  -2.177  -5.053   5.653
  677   1HD2  LEU  86          2HD2      LEU  86   0.119  -2.010   5.652
  678   2HD2  LEU  86          3HD2      LEU  86   0.858  -2.479   7.194
  679   3HD2  LEU  86          1HD2      LEU  86   1.142  -3.464   5.755
  680    H    VAL  87           H        VAL  87  -2.338  -3.333  10.399
  681    HA   VAL  87           HA       VAL  87  -1.118  -5.784  10.791
  682    HB   VAL  87           HB       VAL  87  -2.402  -3.655  12.547
  683   1HG1  VAL  87          1HG1      VAL  87  -0.971  -6.196  13.377
  684   2HG1  VAL  87          2HG1      VAL  87  -1.271  -4.790  14.457
  685   3HG1  VAL  87          3HG1      VAL  87  -2.640  -5.712  13.799
  686   1HG2  VAL  87          2HG2      VAL  87  -0.180  -3.210  11.360
  687   2HG2  VAL  87          3HG2      VAL  87  -0.126  -3.126  13.135
  688   3HG2  VAL  87          1HG2      VAL  87   0.502  -4.553  12.289
  689    H    SER  88           H        SER  88  -4.658  -4.847  11.149
  690    HA   SER  88           HA       SER  88  -5.330  -7.257  12.607
  691   1HB   SER  88          1HB       SER  88  -6.879  -5.164  11.074
  692   2HB   SER  88          2HB       SER  88  -7.537  -6.785  11.016
  693    HG   SER  88           HG       SER  88  -7.652  -6.969  13.188
  694    H    LEU  89           H        LEU  89  -5.433  -6.254   9.134
  695    HA   LEU  89           HA       LEU  89  -6.495  -8.704   8.221
  696   1HB   LEU  89          1HB       LEU  89  -4.746  -6.683   6.743
  697   2HB   LEU  89          2HB       LEU  89  -5.405  -8.129   6.025
  698    HG   LEU  89           HG       LEU  89  -7.743  -7.269   6.766
  699   1HD1  LEU  89          2HD1      LEU  89  -6.148  -4.700   6.859
  700   2HD1  LEU  89          3HD1      LEU  89  -7.903  -4.775   6.586
  701   3HD1  LEU  89          1HD1      LEU  89  -7.222  -5.388   8.099
  702   1HD2  LEU  89          1HD2      LEU  89  -6.142  -6.046   4.481
  703   2HD2  LEU  89          2HD2      LEU  89  -7.053  -7.575   4.448
  704   3HD2  LEU  89          3HD2      LEU  89  -7.918  -6.050   4.606
  705    H    GLN  90           H        GLN  90  -3.074  -7.711   8.749
  706    HA   GLN  90           HA       GLN  90  -1.960 -10.119   7.679
  707   1HB   GLN  90          1HB       GLN  90  -0.746  -7.994   7.975
  708   2HB   GLN  90          2HB       GLN  90  -0.884  -8.138   9.716
  709   1HG   GLN  90          1HG       GLN  90   0.321 -10.564   8.587
  710   2HG   GLN  90          2HG       GLN  90   1.169  -9.138   7.994
  711   1HE2  GLN  90          2HE2      GLN  90   2.001 -10.381  11.681
  712   2HE2  GLN  90          1HE2      GLN  90   1.533 -11.393  10.324
  713    H    GLN  91           H        GLN  91  -2.561  -9.178  11.159
  714    HA   GLN  91           HA       GLN  91  -1.670 -11.600  12.220
  715   1HB   GLN  91          1HB       GLN  91  -2.604  -9.019  13.081
  716   2HB   GLN  91          2HB       GLN  91  -3.656 -10.151  13.854
  717   1HG   GLN  91          1HG       GLN  91  -0.859 -10.995  14.089
  718   2HG   GLN  91          2HG       GLN  91  -1.049  -9.315  14.539
  719   1HE2  GLN  91          2HE2      GLN  91  -2.629 -10.041  17.631
  720   2HE2  GLN  91          1HE2      GLN  91  -1.886  -8.851  16.563
  721    H    SER  92           H        SER  92  -5.028 -10.429  11.676
  722    HA   SER  92           HA       SER  92  -6.299 -12.913  12.466
  723   1HB   SER  92          1HB       SER  92  -7.266 -10.564  12.598
  724   2HB   SER  92          2HB       SER  92  -7.455 -10.609  10.841
  725    HG   SER  92           HG       SER  92  -8.952 -12.166  11.014
  726    H    GLY  93           H        GLY  93  -4.456 -12.047   9.710
  727   1HA   GLY  93          1HA       GLY  93  -4.017 -13.204   7.858
  728   2HA   GLY  93          2HA       GLY  93  -5.088 -14.495   8.419
  729    H    GLU  94           H        GLU  94  -6.656 -11.253   8.029
  730    HA   GLU  94           HA       GLU  94  -8.336 -12.284   5.935
  731   1HB   GLU  94          1HB       GLU  94  -8.672 -10.337   7.668
  732   2HB   GLU  94          2HB       GLU  94  -7.632  -9.421   6.594
  733   1HG   GLU  94          1HG       GLU  94  -9.595  -8.718   5.754
  734   2HG   GLU  94          2HG       GLU  94  -9.441 -10.162   4.745
  735    H    LEU  95           H        LEU  95  -5.292 -10.562   6.122
  736    HA   LEU  95           HA       LEU  95  -5.185  -9.340   3.597
  737   1HB   LEU  95          1HB       LEU  95  -3.510  -9.553   5.844
  738   2HB   LEU  95          2HB       LEU  95  -2.569 -10.338   4.615
  739    HG   LEU  95           HG       LEU  95  -3.793  -7.567   4.371
  740   1HD1  LEU  95          3HD1      LEU  95  -1.051  -8.521   5.255
  741   2HD1  LEU  95          1HD1      LEU  95  -1.350  -6.887   4.697
  742   3HD1  LEU  95          2HD1      LEU  95  -2.193  -7.486   6.133
  743   1HD2  LEU  95          3HD2      LEU  95  -1.694  -8.930   2.674
  744   2HD2  LEU  95          1HD2      LEU  95  -3.356  -8.518   2.167
  745   3HD2  LEU  95          2HD2      LEU  95  -2.196  -7.237   2.534
  746    H    LEU  96           H        LEU  96  -4.302 -12.602   4.644
  747    HA   LEU  96           HA       LEU  96  -2.857 -13.298   2.256
  748   1HB   LEU  96          1HB       LEU  96  -4.120 -15.063   4.406
  749   2HB   LEU  96          2HB       LEU  96  -3.204 -15.668   3.043
  750    HG   LEU  96           HG       LEU  96  -1.664 -15.693   4.759
  751   1HD1  LEU  96          1HD1      LEU  96  -0.802 -14.598   2.706
  752   2HD1  LEU  96          2HD1      LEU  96  -1.033 -13.016   3.480
  753   3HD1  LEU  96          3HD1      LEU  96   0.091 -14.214   4.161
  754   1HD2  LEU  96          3HD2      LEU  96  -2.877 -14.394   6.420
  755   2HD2  LEU  96          1HD2      LEU  96  -1.179 -13.935   6.346
  756   3HD2  LEU  96          2HD2      LEU  96  -2.394 -12.868   5.623
  757    H    THR  97           H        THR  97  -6.369 -13.650   3.152
  758    HA   THR  97           HA       THR  97  -6.995 -15.014   0.694
  759    HB   THR  97           HB       THR  97  -8.997 -13.109   1.816
  760    HG1  THR  97           HG1      THR  97  -9.178 -13.839   3.717
  761   1HG2  THR  97          3HG2      THR  97  -9.512 -14.900   0.205
  762   2HG2  THR  97          1HG2      THR  97  -9.032 -16.127   1.391
  763   3HG2  THR  97          2HG2      THR  97 -10.438 -15.080   1.708
  764    H    ARG  98           H        ARG  98  -7.002 -11.569   1.699
  765    HA   ARG  98           HA       ARG  98  -7.967 -10.427  -0.673
  766   1HB   ARG  98          1HB       ARG  98  -6.639  -9.574   1.784
  767   2HB   ARG  98          2HB       ARG  98  -5.928  -8.690   0.453
  768   1HG   ARG  98          1HG       ARG  98  -8.926  -8.938   0.918
  769   2HG   ARG  98          2HG       ARG  98  -7.914  -7.631   1.576
  770   1HD   ARG  98          1HD       ARG  98  -7.555  -6.630  -0.470
  771   2HD   ARG  98          2HD       ARG  98  -7.735  -8.128  -1.363
  772    HE   ARG  98           HE       ARG  98  -9.759  -7.448  -1.862
  773   1HH1  ARG  98          2HH2      ARG  98  -9.430  -6.399   1.560
  774   2HH1  ARG  98          1HH2      ARG  98 -10.566  -5.096   1.345
  775   1HH2  ARG  98          2HH1      ARG  98 -11.583  -6.059  -1.876
  776   2HH2  ARG  98          1HH1      ARG  98 -11.904  -5.021  -0.522
  777    H    LEU  99           H        LEU  99  -4.606 -11.079   0.215
  778    HA   LEU  99           HA       LEU  99  -3.370 -10.311  -2.237
  779   1HB   LEU  99          1HB       LEU  99  -2.707 -12.223   0.054
  780   2HB   LEU  99          2HB       LEU  99  -1.604 -12.029  -1.286
  781    HG   LEU  99           HG       LEU  99  -2.471  -9.723   0.460
  782   1HD1  LEU  99          2HD1      LEU  99  -0.024 -11.553   0.575
  783   2HD1  LEU  99          3HD1      LEU  99  -0.168 -10.025   1.462
  784   3HD1  LEU  99          1HD1      LEU  99  -1.275 -11.356   1.813
  785   1HD2  LEU  99          2HD2      LEU  99  -0.353 -10.073  -1.678
  786   2HD2  LEU  99          3HD2      LEU  99  -1.722  -8.976  -1.707
  787   3HD2  LEU  99          1HD2      LEU  99  -0.407  -8.691  -0.554
  788    H    LYS 100           H        LYS 100  -4.571 -13.547  -1.123
  789    HA   LYS 100           HA       LYS 100  -3.713 -14.814  -3.545
  790   1HB   LYS 100          1HB       LYS 100  -5.606 -15.501  -1.293
  791   2HB   LYS 100          2HB       LYS 100  -5.627 -16.488  -2.740
  792   1HG   LYS 100          1HG       LYS 100  -3.130 -16.700  -2.649
  793   2HG   LYS 100          2HG       LYS 100  -3.110 -15.762  -1.174
  794   1HD   LYS 100          1HD       LYS 100  -4.538 -18.455  -1.508
  795   2HD   LYS 100          2HD       LYS 100  -2.945 -18.232  -0.774
  796   1HE   LYS 100          1HE       LYS 100  -4.011 -16.657   0.904
  797   2HE   LYS 100          2HE       LYS 100  -5.594 -17.100   0.240
  798   1HZ   LYS 100          2HZ       LYS 100  -3.689 -19.022   1.437
  799   2HZ   LYS 100          3HZ       LYS 100  -4.999 -18.394   2.211
  800   3HZ   LYS 100          1HZ       LYS 100  -5.206 -19.365   0.918
  801    H    GLN 101           H        GLN 101  -6.748 -13.119  -2.775
  802    HA   GLN 101           HA       GLN 101  -8.187 -13.766  -5.049
  803   1HB   GLN 101          1HB       GLN 101  -8.708 -12.229  -2.963
  804   2HB   GLN 101          2HB       GLN 101  -8.140 -10.923  -4.015
  805   1HG   GLN 101          1HG       GLN 101  -9.854 -11.662  -5.716
  806   2HG   GLN 101          2HG       GLN 101 -10.430 -12.858  -4.553
  807   1HE2  GLN 101          2HE2      GLN 101 -12.609  -9.805  -4.273
  808   2HE2  GLN 101          1HE2      GLN 101 -12.188 -10.911  -5.566
  809    H    ILE 102           H        ILE 102  -5.357 -11.524  -4.816
  810    HA   ILE 102           HA       ILE 102  -5.761 -10.780  -7.648
  811    HB   ILE 102           HB       ILE 102  -4.443  -8.920  -7.278
  812   1HG1  ILE 102          1HG1      ILE 102  -3.652  -9.002  -4.494
  813   2HG1  ILE 102          2HG1      ILE 102  -3.128 -10.464  -5.261
  814   1HG2  ILE 102          2HG2      ILE 102  -6.661  -8.732  -6.316
  815   2HG2  ILE 102          3HG2      ILE 102  -6.055  -9.287  -4.734
  816   3HG2  ILE 102          1HG2      ILE 102  -5.480  -7.766  -5.405
  817   1HD1  ILE 102          1HD1      ILE 102  -2.034  -9.153  -7.076
  818   2HD1  ILE 102          2HD1      ILE 102  -2.478  -7.673  -6.190
  819   3HD1  ILE 102          3HD1      ILE 102  -1.374  -8.871  -5.467
  820    H    GLY 103           H        GLY 103  -4.307 -13.403  -6.361
  821   1HA   GLY 103          1HA       GLY 103  -2.880 -14.872  -7.429
  822   2HA   GLY 103          2HA       GLY 103  -2.601 -13.683  -8.701
  823    H    ALA 104           H        ALA 104  -2.056 -13.314  -5.216
  824    HA   ALA 104           HA       ALA 104   0.747 -12.430  -5.569
  825   1HB   ALA 104          2HB       ALA 104  -1.161 -12.897  -3.189
  826   2HB   ALA 104          3HB       ALA 104   0.399 -12.098  -3.057
  827   3HB   ALA 104          1HB       ALA 104  -0.932 -11.335  -3.983
  828    H    LEU 105           H        LEU 105  -0.638 -14.731  -3.173
  829    HA   LEU 105           HA       LEU 105   1.768 -15.393  -2.130
  830   1HB   LEU 105          1HB       LEU 105  -0.966 -16.600  -2.074
  831   2HB   LEU 105          2HB       LEU 105   0.339 -17.644  -1.579
  832    HG   LEU 105           HG       LEU 105   1.142 -15.917   0.003
  833   1HD1  LEU 105          2HD1      LEU 105  -0.066 -13.941  -1.066
  834   2HD1  LEU 105          3HD1      LEU 105  -1.570 -14.550  -0.339
  835   3HD1  LEU 105          1HD1      LEU 105  -0.201 -14.060   0.668
  836   1HD2  LEU 105          1HD2      LEU 105  -0.253 -17.875   0.634
  837   2HD2  LEU 105          2HD2      LEU 105  -0.340 -16.519   1.746
  838   3HD2  LEU 105          3HD2      LEU 105  -1.680 -16.809   0.615
  839    H    GLN 106           H        GLN 106   0.821 -16.405  -4.946
  840    HA   GLN 106           HA       GLN 106   0.776 -18.511  -6.225
  841   1HB   GLN 106          2HB       GLN 106   2.208 -16.701  -6.992
  842   2HB   GLN 106          3HB       GLN 106   3.571 -17.331  -6.078
  843   1HG   GLN 106          2HG       GLN 106   2.529 -19.393  -7.878
  844   2HG   GLN 106          3HG       GLN 106   2.706 -17.888  -8.762
  845   1HE2  GLN 106          2HE2      GLN 106   6.117 -19.614  -7.064
  846   2HE2  GLN 106          1HE2      GLN 106   4.581 -19.486  -6.209
   
  No H/Q in entry =         846
  Start of MODEL    7
    1   1H    ALA   2          1H        ALA   2  -2.888  15.112  -6.402
    2   2H    ALA   2          2H        ALA   2  -1.813  16.215  -6.985
    3   3H    ALA   2          3H        ALA   2  -2.990  15.656  -7.964
    4    HA   ALA   2           HA       ALA   2  -1.009  14.655  -8.617
    5   1HB   ALA   2          1HB       ALA   2   0.284  14.970  -6.584
    6   2HB   ALA   2          2HB       ALA   2  -0.696  13.740  -5.742
    7   3HB   ALA   2          3HB       ALA   2   0.345  13.283  -7.108
    8    H    GLN   3           H        GLN   3  -2.958  13.893  -9.691
    9    HA   GLN   3           HA       GLN   3  -4.605  11.874  -8.545
   10   1HB   GLN   3          1HB       GLN   3  -4.362  12.893 -11.411
   11   2HB   GLN   3          2HB       GLN   3  -5.685  11.897 -10.800
   12   1HG   GLN   3          1HG       GLN   3  -6.359  13.637  -9.240
   13   2HG   GLN   3          2HG       GLN   3  -4.989  14.652  -9.665
   14   1HE2  GLN   3          2HE2      GLN   3  -6.371  15.621 -12.884
   15   2HE2  GLN   3          1HE2      GLN   3  -4.849  14.988 -12.287
   16    H    GLU   4           H        GLU   4  -2.598  11.628 -11.569
   17    HA   GLU   4           HA       GLU   4  -3.001   8.807 -11.661
   18   1HB   GLU   4          1HB       GLU   4  -0.837  10.298 -13.172
   19   2HB   GLU   4          2HB       GLU   4  -1.608   8.787 -13.573
   20   1HG   GLU   4          1HG       GLU   4  -2.695  10.128 -15.018
   21   2HG   GLU   4          2HG       GLU   4  -3.827  10.225 -13.667
   22    H    PHE   5           H        PHE   5  -0.559  10.760 -10.099
   23    HA   PHE   5           HA       PHE   5   1.577   8.911  -9.957
   24   1HB   PHE   5          1HB       PHE   5   1.212  11.425  -9.100
   25   2HB   PHE   5          2HB       PHE   5   0.906  10.625  -7.575
   26    HD1  PHE   5          2HD       PHE   5   3.166   8.351  -8.027
   27    HD2  PHE   5          1HD       PHE   5   3.094  12.656  -8.423
   28    HE1  PHE   5          2HE       PHE   5   5.563   8.435  -7.562
   29    HE2  PHE   5          1HE       PHE   5   5.533  12.712  -7.940
   30    HZ   PHE   5           HZ       PHE   5   6.766  10.608  -7.511
   31    H    VAL   6           H        VAL   6  -1.516   9.062  -8.137
   32    HA   VAL   6           HA       VAL   6  -0.845   6.498  -6.837
   33    HB   VAL   6           HB       VAL   6  -3.160   8.427  -6.568
   34   1HG1  VAL   6          1HG1      VAL   6  -2.784   5.719  -5.234
   35   2HG1  VAL   6          2HG1      VAL   6  -3.955   6.946  -4.743
   36   3HG1  VAL   6          3HG1      VAL   6  -4.102   6.178  -6.330
   37   1HG2  VAL   6          2HG2      VAL   6  -1.030   9.027  -5.391
   38   2HG2  VAL   6          3HG2      VAL   6  -2.314   8.625  -4.245
   39   3HG2  VAL   6          1HG2      VAL   6  -1.035   7.448  -4.590
   40    H    ASN   7           H        ASN   7  -3.438   7.829  -8.992
   41    HA   ASN   7           HA       ASN   7  -4.698   5.320  -9.159
   42   1HB   ASN   7          1HB       ASN   7  -4.964   7.890 -10.720
   43   2HB   ASN   7          2HB       ASN   7  -5.706   6.440 -11.381
   44   1HD2  ASN   7          2HD2      ASN   7  -8.333   8.108  -9.346
   45   2HD2  ASN   7          1HD2      ASN   7  -7.313   8.565 -10.697
   46    H    CYS   8           H        CYS   8  -2.022   6.430 -11.161
   47    HA   CYS   8           HA       CYS   8  -2.450   4.294 -13.145
   48   1HB   CYS   8          1HB       CYS   8  -1.672   6.589 -13.760
   49   2HB   CYS   8          2HB       CYS   8  -0.174   6.299 -12.845
   50    HG   CYS   8           HG       CYS   8   0.170   6.136 -15.465
   51    H    LYS   9           H        LYS   9  -0.699   4.826 -10.118
   52    HA   LYS   9           HA       LYS   9   1.391   2.865 -10.707
   53   1HB   LYS   9          1HB       LYS   9   0.594   4.493  -8.286
   54   2HB   LYS   9          2HB       LYS   9   1.661   3.104  -8.077
   55   1HG   LYS   9          1HG       LYS   9   2.235   5.229 -10.168
   56   2HG   LYS   9          2HG       LYS   9   2.762   5.411  -8.491
   57   1HD   LYS   9          1HD       LYS   9   4.261   3.659  -8.559
   58   2HD   LYS   9          2HD       LYS   9   3.494   2.851  -9.923
   59   1HE   LYS   9          1HE       LYS   9   4.481   5.622 -10.460
   60   2HE   LYS   9          2HE       LYS   9   5.739   4.439 -10.080
   61   1HZ   LYS   9          3HZ       LYS   9   3.711   3.969 -12.193
   62   2HZ   LYS   9          1HZ       LYS   9   5.221   4.594 -12.450
   63   3HZ   LYS   9          2HZ       LYS   9   5.044   3.080 -11.844
   64    H    ILE  10           H        ILE  10  -1.794   2.757  -9.046
   65    HA   ILE  10           HA       ILE  10  -1.248  -0.034  -8.292
   66    HB   ILE  10           HB       ILE  10  -3.997   1.138  -8.212
   67   1HG1  ILE  10          1HG1      ILE  10  -2.711   1.579  -5.628
   68   2HG1  ILE  10          2HG1      ILE  10  -1.948   2.568  -6.835
   69   1HG2  ILE  10          2HG2      ILE  10  -2.401  -0.767  -6.429
   70   2HG2  ILE  10          3HG2      ILE  10  -4.074  -0.287  -6.141
   71   3HG2  ILE  10          1HG2      ILE  10  -3.657  -1.205  -7.597
   72   1HD1  ILE  10          1HD1      ILE  10  -4.953   2.438  -6.387
   73   2HD1  ILE  10          2HD1      ILE  10  -3.871   3.709  -5.792
   74   3HD1  ILE  10          3HD1      ILE  10  -4.110   3.497  -7.539
   75    H    GLN  11           H        GLN  11  -2.345  -1.855  -9.270
   76    HA   GLN  11           HA       GLN  11  -4.250  -1.380 -11.368
   77   1HB   GLN  11          1HB       GLN  11  -3.036  -2.613 -13.112
   78   2HB   GLN  11          2HB       GLN  11  -2.174  -1.182 -12.620
   79   1HG   GLN  11          1HG       GLN  11  -0.411  -2.562 -12.632
   80   2HG   GLN  11          2HG       GLN  11  -0.920  -2.958 -11.005
   81   1HE2  GLN  11          2HE2      GLN  11  -1.336  -5.695 -14.072
   82   2HE2  GLN  11          1HE2      GLN  11  -0.891  -4.008 -14.397
   83    HA   PRO  12           HA       PRO  12  -5.740  -5.053  -9.443
   84   1HB   PRO  12          1HB       PRO  12  -7.259  -6.288 -11.333
   85   2HB   PRO  12          2HB       PRO  12  -7.677  -4.694 -10.635
   86   1HG   PRO  12          1HG       PRO  12  -6.335  -5.285 -13.280
   87   2HG   PRO  12          2HG       PRO  12  -7.619  -4.087 -12.923
   88   1HD   PRO  12          1HD       PRO  12  -4.938  -3.510 -13.098
   89   2HD   PRO  12          2HD       PRO  12  -6.095  -2.545 -12.142
   90    H    GLY  13           H        GLY  13  -4.288  -6.598  -8.848
   91   1HA   GLY  13          1HA       GLY  13  -3.375  -8.770  -9.217
   92   2HA   GLY  13          2HA       GLY  13  -3.029  -8.276 -10.844
   93    H    LYS  14           H        LYS  14  -2.322  -5.666  -8.775
   94    HA   LYS  14           HA       LYS  14   0.398  -6.631  -8.034
   95   1HB   LYS  14          1HB       LYS  14  -0.045  -4.680  -9.927
   96   2HB   LYS  14          2HB       LYS  14   0.019  -3.688  -8.479
   97   1HG   LYS  14          1HG       LYS  14   2.241  -4.585  -8.016
   98   2HG   LYS  14          2HG       LYS  14   2.169  -5.675  -9.416
   99   1HD   LYS  14          1HD       LYS  14   2.445  -3.864 -10.926
  100   2HD   LYS  14          2HD       LYS  14   1.791  -2.695  -9.779
  101   1HE   LYS  14          1HE       LYS  14   4.106  -2.223  -9.904
  102   2HE   LYS  14          2HE       LYS  14   3.808  -2.960  -8.332
  103   1HZ   LYS  14          2HZ       LYS  14   4.981  -4.324 -10.688
  104   2HZ   LYS  14          3HZ       LYS  14   5.800  -3.801  -9.405
  105   3HZ   LYS  14          1HZ       LYS  14   4.777  -5.036  -9.208
  106    H    VAL  15           H        VAL  15   1.264  -5.406  -6.084
  107    HA   VAL  15           HA       VAL  15  -0.911  -4.576  -4.258
  108    HB   VAL  15           HB       VAL  15   1.659  -6.132  -3.708
  109   1HG1  VAL  15          3HG1      VAL  15  -0.644  -5.147  -2.036
  110   2HG1  VAL  15          1HG1      VAL  15   0.466  -6.410  -1.438
  111   3HG1  VAL  15          2HG1      VAL  15   1.049  -4.778  -1.798
  112   1HG2  VAL  15          1HG2      VAL  15  -1.211  -7.123  -3.860
  113   2HG2  VAL  15          2HG2      VAL  15   0.173  -7.641  -4.843
  114   3HG2  VAL  15          3HG2      VAL  15   0.142  -8.026  -3.130
  115    H    VAL  16           H        VAL  16  -0.681  -2.366  -3.967
  116    HA   VAL  16           HA       VAL  16   2.073  -1.263  -4.252
  117    HB   VAL  16           HB       VAL  16  -0.560  -0.097  -5.217
  118   1HG1  VAL  16          2HG1      VAL  16   1.141   1.636  -4.615
  119   2HG1  VAL  16          3HG1      VAL  16   2.292   0.824  -5.707
  120   3HG1  VAL  16          1HG1      VAL  16   0.815   1.572  -6.350
  121   1HG2  VAL  16          1HG2      VAL  16   1.711  -1.592  -6.613
  122   2HG2  VAL  16          2HG2      VAL  16  -0.032  -1.936  -6.678
  123   3HG2  VAL  16          3HG2      VAL  16   0.637  -0.520  -7.499
  124    H    VAL  17           H        VAL  17   2.726   0.173  -2.697
  125    HA   VAL  17           HA       VAL  17   0.712   0.948  -0.638
  126    HB   VAL  17           HB       VAL  17   3.526   0.172   0.119
  127   1HG1  VAL  17          1HG1      VAL  17   2.181   1.578   1.675
  128   2HG1  VAL  17          2HG1      VAL  17   0.923   0.348   1.694
  129   3HG1  VAL  17          3HG1      VAL  17   2.536  -0.015   2.358
  130   1HG2  VAL  17          2HG2      VAL  17   1.128  -1.700   0.094
  131   2HG2  VAL  17          3HG2      VAL  17   2.621  -1.866  -0.855
  132   3HG2  VAL  17          1HG2      VAL  17   2.700  -1.994   0.895
  133    H    PHE  18           H        PHE  18   0.611   3.087  -0.635
  134    HA   PHE  18           HA       PHE  18   2.856   4.692  -1.690
  135   1HB   PHE  18          1HB       PHE  18   0.106   5.443  -0.600
  136   2HB   PHE  18          2HB       PHE  18   1.226   6.595  -1.339
  137    HD1  PHE  18          1HD       PHE  18   1.978   6.339  -3.708
  138    HD2  PHE  18          2HD       PHE  18  -1.210   3.963  -2.020
  139    HE1  PHE  18          1HE       PHE  18   1.257   5.687  -5.985
  140    HE2  PHE  18          2HE       PHE  18  -1.918   3.313  -4.300
  141    HZ   PHE  18           HZ       PHE  18  -0.705   4.211  -6.285
  142    H    ILE  19           H        ILE  19   4.508   5.243  -0.361
  143    HA   ILE  19           HA       ILE  19   4.017   5.579   2.540
  144    HB   ILE  19           HB       ILE  19   6.137   4.350   2.923
  145   1HG1  ILE  19          1HG1      ILE  19   6.551   2.602   0.902
  146   2HG1  ILE  19          2HG1      ILE  19   6.228   4.035  -0.034
  147   1HG2  ILE  19          3HG2      ILE  19   3.819   3.335   3.068
  148   2HG2  ILE  19          1HG2      ILE  19   4.229   2.487   1.556
  149   3HG2  ILE  19          2HG2      ILE  19   5.193   2.233   3.028
  150   1HD1  ILE  19          1HD1      ILE  19   8.338   3.780   2.167
  151   2HD1  ILE  19          2HD1      ILE  19   8.639   3.726   0.422
  152   3HD1  ILE  19          3HD1      ILE  19   8.066   5.224   1.172
  153    H    LYS  20           H        LYS  20   5.846   6.600   3.643
  154    HA   LYS  20           HA       LYS  20   7.625   8.203   1.909
  155   1HB   LYS  20          1HB       LYS  20   7.563   9.991   3.642
  156   2HB   LYS  20          2HB       LYS  20   6.029   9.783   2.783
  157   1HG   LYS  20          1HG       LYS  20   5.387   8.287   4.881
  158   2HG   LYS  20          2HG       LYS  20   6.739   9.117   5.650
  159   1HD   LYS  20          1HD       LYS  20   4.329  10.439   4.330
  160   2HD   LYS  20          2HD       LYS  20   4.475  10.138   6.057
  161   1HE   LYS  20          1HE       LYS  20   6.343  11.940   4.436
  162   2HE   LYS  20          2HE       LYS  20   4.944  12.476   5.372
  163   1HZ   LYS  20          2HZ       LYS  20   6.021  11.457   7.338
  164   2HZ   LYS  20          3HZ       LYS  20   7.409  11.286   6.437
  165   3HZ   LYS  20          1HZ       LYS  20   6.769  12.771   6.738
  166    HA   PRO  21           HA       PRO  21  10.451   5.900   4.447
  167   1HB   PRO  21          1HB       PRO  21  12.801   7.280   4.100
  168   2HB   PRO  21          2HB       PRO  21  12.034   6.278   2.830
  169   1HG   PRO  21          1HG       PRO  21  11.887   9.276   3.182
  170   2HG   PRO  21          2HG       PRO  21  12.193   8.350   1.679
  171   1HD   PRO  21          1HD       PRO  21   9.712   9.313   2.369
  172   2HD   PRO  21          2HD       PRO  21   9.925   7.794   1.452
  173    H    THR  22           H        THR  22   9.775   9.321   4.938
  174    HA   THR  22           HA       THR  22  11.044   9.562   7.524
  175    HB   THR  22           HB       THR  22  10.081  11.866   7.269
  176    HG1  THR  22           HG1      THR  22   9.160  12.385   5.335
  177   1HG2  THR  22          3HG2      THR  22  12.345  11.278   6.365
  178   2HG2  THR  22          1HG2      THR  22  11.603  10.928   4.795
  179   3HG2  THR  22          2HG2      THR  22  11.536  12.564   5.453
  180    H    CYS  23           H        CSN  23   8.872   7.506   7.118
  181    HA   CYS  23           HA       CSN  23   7.276   8.185   9.500
  182   1HB   CYS  23          2HB       CSN  23   5.755   8.379   7.669
  183   2HB   CYS  23          3HB       CSN  23   6.426   6.942   6.878
  184    HA   PRO  24           HA       PRO  24   9.171   4.138  10.482
  185   1HB   PRO  24          1HB       PRO  24   8.127   3.714  12.959
  186   2HB   PRO  24          2HB       PRO  24   9.367   4.965  12.664
  187   1HG   PRO  24          1HG       PRO  24   6.371   5.339  12.847
  188   2HG   PRO  24          2HG       PRO  24   7.657   6.283  13.659
  189   1HD   PRO  24          1HD       PRO  24   6.495   7.111  11.311
  190   2HD   PRO  24          2HD       PRO  24   8.220   7.413  11.688
  191    H    TYR  25           H        TYR  25   5.690   4.873  10.333
  192    HA   TYR  25           HA       TYR  25   4.846   2.100  10.776
  193   1HB   TYR  25          1HB       TYR  25   3.311   4.489   9.631
  194   2HB   TYR  25          2HB       TYR  25   2.646   2.927  10.012
  195    HD1  TYR  25          1HD       TYR  25   4.208   5.956  11.456
  196    HD2  TYR  25          2HD       TYR  25   1.985   2.346  12.264
  197    HE1  TYR  25          1HE       TYR  25   3.851   6.703  13.781
  198    HE2  TYR  25          2HE       TYR  25   1.594   3.113  14.594
  199    HH   TYR  25           HH       TYR  25   2.028   4.793  16.178
  200    H    CYS  26           H        CYS  26   5.658   4.302   8.079
  201    HA   CYS  26           HA       CYS  26   4.915   2.555   5.960
  202   1HB   CYS  26          1HB       CYS  26   7.042   4.706   6.257
  203   2HB   CYS  26          2HB       CYS  26   6.785   3.822   4.767
  204    HG   CYS  26           HG       CYS  26   4.803   5.767   6.559
  205    H    ARG  27           H        ARG  27   8.062   2.779   7.743
  206    HA   ARG  27           HA       ARG  27   9.243   0.561   6.412
  207   1HB   ARG  27          1HB       ARG  27  10.436   2.205   7.952
  208   2HB   ARG  27          2HB       ARG  27   9.719   1.335   9.311
  209   1HG   ARG  27          1HG       ARG  27  10.801  -0.794   8.214
  210   2HG   ARG  27          2HG       ARG  27  11.762   0.350   7.277
  211   1HD   ARG  27          1HD       ARG  27  11.577   0.203  10.315
  212   2HD   ARG  27          2HD       ARG  27  12.853  -0.536   9.339
  213    HE   ARG  27           HE       ARG  27  12.857   2.166   8.650
  214   1HH1  ARG  27          2HH2      ARG  27  13.214   0.300  11.636
  215   2HH1  ARG  27          1HH2      ARG  27  14.390   1.350  12.353
  216   1HH2  ARG  27          2HH1      ARG  27  14.409   3.633   9.597
  217   2HH2  ARG  27          1HH1      ARG  27  15.054   3.302  11.172
  218    H    ARG  28           H        ARG  28   7.149   0.669   9.327
  219    HA   ARG  28           HA       ARG  28   7.141  -2.081   9.934
  220   1HB   ARG  28          1HB       ARG  28   5.969  -0.314  11.284
  221   2HB   ARG  28          2HB       ARG  28   4.737  -0.212  10.071
  222   1HG   ARG  28          1HG       ARG  28   3.582  -1.798  11.070
  223   2HG   ARG  28          2HG       ARG  28   4.759  -2.952  10.518
  224   1HD   ARG  28          1HD       ARG  28   5.140  -1.459  13.137
  225   2HD   ARG  28          2HD       ARG  28   4.166  -2.931  12.966
  226    HE   ARG  28           HE       ARG  28   6.970  -3.056  11.991
  227   1HH1  ARG  28          2HH2      ARG  28   4.713  -3.837  14.625
  228   2HH1  ARG  28          1HH2      ARG  28   5.640  -5.194  15.166
  229   1HH2  ARG  28          2HH1      ARG  28   8.120  -4.729  12.636
  230   2HH2  ARG  28          1HH1      ARG  28   7.618  -5.862  13.876
  231    H    ALA  29           H        ALA  29   4.832  -0.323   7.883
  232    HA   ALA  29           HA       ALA  29   3.405  -2.569   7.022
  233   1HB   ALA  29          2HB       ALA  29   3.926   0.011   5.481
  234   2HB   ALA  29          3HB       ALA  29   2.758  -1.225   4.980
  235   3HB   ALA  29          1HB       ALA  29   2.528  -0.397   6.525
  236    H    GLN  30           H        GLN  30   6.417  -1.226   5.420
  237    HA   GLN  30           HA       GLN  30   6.568  -3.140   3.432
  238   1HB   GLN  30          1HB       GLN  30   8.541  -1.385   4.936
  239   2HB   GLN  30          2HB       GLN  30   9.186  -2.771   4.048
  240   1HG   GLN  30          1HG       GLN  30   9.188  -1.193   2.358
  241   2HG   GLN  30          2HG       GLN  30   7.686  -2.036   2.166
  242   1HE2  GLN  30          2HE2      GLN  30   7.725   1.946   3.051
  243   2HE2  GLN  30          1HE2      GLN  30   9.206   0.968   3.013
  244    H    GLU  31           H        GLU  31   7.804  -3.465   6.793
  245    HA   GLU  31           HA       GLU  31   8.946  -6.060   6.041
  246   1HB   GLU  31          1HB       GLU  31   9.594  -6.279   8.413
  247   2HB   GLU  31          2HB       GLU  31  10.043  -4.705   7.758
  248   1HG   GLU  31          1HG       GLU  31   8.116  -3.673   8.811
  249   2HG   GLU  31          2HG       GLU  31   7.613  -5.212   9.523
  250    H    ILE  32           H        ILE  32   6.082  -4.964   7.744
  251    HA   ILE  32           HA       ILE  32   4.893  -7.414   8.442
  252    HB   ILE  32           HB       ILE  32   3.939  -4.650   7.763
  253   1HG1  ILE  32          1HG1      ILE  32   3.650  -6.551  10.145
  254   2HG1  ILE  32          2HG1      ILE  32   4.762  -5.191  10.013
  255   1HG2  ILE  32          3HG2      ILE  32   2.192  -5.901   6.638
  256   2HG2  ILE  32          1HG2      ILE  32   1.910  -6.832   8.136
  257   3HG2  ILE  32          2HG2      ILE  32   1.608  -5.080   8.049
  258   1HD1  ILE  32          1HD1      ILE  32   2.660  -3.696   9.822
  259   2HD1  ILE  32          2HD1      ILE  32   1.736  -5.132  10.315
  260   3HD1  ILE  32          3HD1      ILE  32   2.961  -4.466  11.403
  261    H    LEU  33           H        LEU  33   4.671  -5.620   5.326
  262    HA   LEU  33           HA       LEU  33   2.914  -7.711   4.301
  263   1HB   LEU  33          1HB       LEU  33   4.138  -5.182   3.147
  264   2HB   LEU  33          2HB       LEU  33   3.658  -6.416   2.017
  265    HG   LEU  33           HG       LEU  33   1.691  -5.200   4.023
  266   1HD1  LEU  33          1HD1      LEU  33   2.144  -4.557   1.107
  267   2HD1  LEU  33          2HD1      LEU  33   0.814  -3.984   2.116
  268   3HD1  LEU  33          3HD1      LEU  33   2.475  -3.508   2.515
  269   1HD2  LEU  33          1HD2      LEU  33   1.314  -6.902   1.489
  270   2HD2  LEU  33          2HD2      LEU  33   1.091  -7.499   3.136
  271   3HD2  LEU  33          3HD2      LEU  33   0.018  -6.236   2.499
  272    H    SER  34           H        SER  34   6.360  -6.667   3.791
  273    HA   SER  34           HA       SER  34   6.761  -8.498   1.656
  274   1HB   SER  34          1HB       SER  34   7.918  -6.294   2.191
  275   2HB   SER  34          2HB       SER  34   8.902  -7.181   3.367
  276    HG   SER  34           HG       SER  34   9.858  -8.238   1.772
  277    H    GLN  35           H        GLN  35   6.763  -9.068   5.104
  278    HA   GLN  35           HA       GLN  35   8.536 -11.346   5.090
  279   1HB   GLN  35          1HB       GLN  35   6.405 -10.232   6.946
  280   2HB   GLN  35          2HB       GLN  35   7.031 -11.858   7.232
  281   1HG   GLN  35          1HG       GLN  35   9.228 -11.146   7.598
  282   2HG   GLN  35          2HG       GLN  35   8.960  -9.583   6.817
  283   1HE2  GLN  35          2HE2      GLN  35   8.918  -8.210  10.058
  284   2HE2  GLN  35          1HE2      GLN  35   9.870  -8.548   8.614
  285    H    LEU  36           H        LEU  36   5.164 -10.912   4.023
  286    HA   LEU  36           HA       LEU  36   4.635 -13.778   4.054
  287   1HB   LEU  36          1HB       LEU  36   3.327 -11.353   2.749
  288   2HB   LEU  36          2HB       LEU  36   2.786 -12.984   2.438
  289    HG   LEU  36           HG       LEU  36   1.474 -11.734   4.112
  290   1HD1  LEU  36          3HD1      LEU  36   1.428 -14.227   4.036
  291   2HD1  LEU  36          1HD1      LEU  36   2.832 -14.302   5.120
  292   3HD1  LEU  36          2HD1      LEU  36   1.310 -13.686   5.724
  293   1HD2  LEU  36          2HD2      LEU  36   3.226 -10.560   5.321
  294   2HD2  LEU  36          3HD2      LEU  36   2.105 -11.431   6.380
  295   3HD2  LEU  36          1HD2      LEU  36   3.717 -12.087   6.096
  296    HA   PRO  37           HA       PRO  37   6.577 -14.317  -0.043
  297   1HB   PRO  37          1HB       PRO  37   5.277 -16.541  -0.928
  298   2HB   PRO  37          2HB       PRO  37   6.521 -16.621   0.353
  299   1HG   PRO  37          1HG       PRO  37   3.506 -16.562   0.681
  300   2HG   PRO  37          2HG       PRO  37   4.671 -17.641   1.484
  301   1HD   PRO  37          1HD       PRO  37   3.678 -15.357   2.647
  302   2HD   PRO  37          2HD       PRO  37   5.328 -15.958   2.992
  303    H    ILE  38           H        ILE  38   5.838 -12.603  -1.380
  304    HA   ILE  38           HA       ILE  38   3.064 -12.918  -2.448
  305    HB   ILE  38           HB       ILE  38   4.622 -10.486  -1.447
  306   1HG1  ILE  38          1HG1      ILE  38   1.647 -11.163  -1.324
  307   2HG1  ILE  38          2HG1      ILE  38   2.777 -11.911  -0.210
  308   1HG2  ILE  38          2HG2      ILE  38   2.395 -10.445  -3.565
  309   2HG2  ILE  38          3HG2      ILE  38   2.899  -9.032  -2.638
  310   3HG2  ILE  38          1HG2      ILE  38   4.043  -9.800  -3.729
  311   1HD1  ILE  38          2HD1      ILE  38   3.589  -9.684   0.524
  312   2HD1  ILE  38          3HD1      ILE  38   2.185  -8.988  -0.343
  313   3HD1  ILE  38          1HD1      ILE  38   1.938 -10.129   0.991
  314    H    LYS  39           H        LYS  39   3.022 -12.970  -4.605
  315    HA   LYS  39           HA       LYS  39   5.012 -14.068  -5.966
  316   1HB   LYS  39          1HB       LYS  39   2.587 -12.624  -6.875
  317   2HB   LYS  39          2HB       LYS  39   3.817 -12.907  -8.092
  318   1HG   LYS  39          1HG       LYS  39   3.341 -15.351  -6.518
  319   2HG   LYS  39          2HG       LYS  39   1.831 -14.718  -7.153
  320   1HD   LYS  39          1HD       LYS  39   4.291 -15.423  -8.767
  321   2HD   LYS  39          2HD       LYS  39   2.797 -16.353  -8.654
  322   1HE   LYS  39          1HE       LYS  39   1.776 -15.112 -10.247
  323   2HE   LYS  39          2HE       LYS  39   2.133 -13.619  -9.386
  324   1HZ   LYS  39          1HZ       LYS  39   4.404 -13.765 -10.440
  325   2HZ   LYS  39          2HZ       LYS  39   3.788 -14.974 -11.396
  326   3HZ   LYS  39          3HZ       LYS  39   3.163 -13.470 -11.474
  327    H    GLN  40           H        GLN  40   6.954 -13.514  -6.800
  328    HA   GLN  40           HA       GLN  40   7.992 -11.200  -5.778
  329   1HB   GLN  40          1HB       GLN  40   9.127 -13.451  -6.703
  330   2HB   GLN  40          2HB       GLN  40   9.452 -12.440  -8.112
  331   1HG   GLN  40          1HG       GLN  40  11.362 -12.305  -6.662
  332   2HG   GLN  40          2HG       GLN  40  10.532 -10.753  -6.519
  333   1HE2  GLN  40          2HE2      GLN  40   9.719 -11.271  -3.050
  334   2HE2  GLN  40          1HE2      GLN  40   9.748 -10.125  -4.387
  335    H    GLY  41           H        GLY  41   7.976  -9.129  -6.329
  336   1HA   GLY  41          1HA       GLY  41   8.264  -7.306  -7.797
  337   2HA   GLY  41          2HA       GLY  41   7.657  -8.258  -9.147
  338    H    LEU  42           H        LEU  42   5.280  -9.112  -6.918
  339    HA   LEU  42           HA       LEU  42   3.519  -7.141  -8.003
  340   1HB   LEU  42          1HB       LEU  42   3.060  -8.982  -5.645
  341   2HB   LEU  42          2HB       LEU  42   1.908  -7.983  -6.459
  342    HG   LEU  42           HG       LEU  42   3.131 -10.527  -7.448
  343   1HD1  LEU  42          1HD1      LEU  42   1.043 -10.457  -6.061
  344   2HD1  LEU  42          2HD1      LEU  42   0.291  -9.462  -7.328
  345   3HD1  LEU  42          3HD1      LEU  42   0.783 -11.121  -7.696
  346   1HD2  LEU  42          3HD2      LEU  42   1.728  -8.464  -9.152
  347   2HD2  LEU  42          1HD2      LEU  42   3.366  -9.123  -9.372
  348   3HD2  LEU  42          2HD2      LEU  42   1.958 -10.175  -9.573
  349    H    LEU  43           H        LEU  43   5.504  -7.268  -5.027
  350    HA   LEU  43           HA       LEU  43   3.762  -5.272  -3.774
  351   1HB   LEU  43          1HB       LEU  43   5.450  -7.197  -2.669
  352   2HB   LEU  43          2HB       LEU  43   6.385  -5.728  -2.501
  353    HG   LEU  43           HG       LEU  43   5.234  -5.817  -0.505
  354   1HD1  LEU  43          1HD1      LEU  43   4.764  -3.592  -1.663
  355   2HD1  LEU  43          2HD1      LEU  43   3.156  -4.204  -2.068
  356   3HD1  LEU  43          3HD1      LEU  43   3.640  -4.037  -0.381
  357   1HD2  LEU  43          3HD2      LEU  43   2.826  -6.827  -2.002
  358   2HD2  LEU  43          1HD2      LEU  43   3.885  -7.669  -0.864
  359   3HD2  LEU  43          2HD2      LEU  43   2.812  -6.388  -0.276
  360    H    GLU  44           H        GLU  44   3.998  -3.115  -4.280
  361    HA   GLU  44           HA       GLU  44   6.708  -2.086  -4.931
  362   1HB   GLU  44          1HB       GLU  44   5.445  -2.485  -7.022
  363   2HB   GLU  44          2HB       GLU  44   4.241  -1.286  -6.480
  364   1HG   GLU  44          1HG       GLU  44   6.048   0.390  -6.246
  365   2HG   GLU  44          2HG       GLU  44   7.259  -0.802  -6.647
  366    H    PHE  45           H        PHE  45   7.198  -0.991  -3.220
  367    HA   PHE  45           HA       PHE  45   5.232   0.564  -1.716
  368   1HB   PHE  45          1HB       PHE  45   8.229   0.417  -1.240
  369   2HB   PHE  45          2HB       PHE  45   6.953   0.795  -0.111
  370    HD1  PHE  45          2HD       PHE  45   5.270  -1.020   0.553
  371    HD2  PHE  45          1HD       PHE  45   8.967  -1.873  -1.500
  372    HE1  PHE  45          2HE       PHE  45   5.162  -3.359   1.345
  373    HE2  PHE  45          1HE       PHE  45   8.841  -4.219  -0.732
  374    HZ   PHE  45           HZ       PHE  45   6.967  -4.953   0.747
  375    H    VAL  46           H        VAL  46   4.667   2.471  -2.780
  376    HA   VAL  46           HA       VAL  46   6.549   3.725  -4.671
  377    HB   VAL  46           HB       VAL  46   3.622   4.266  -4.016
  378   1HG1  VAL  46          3HG1      VAL  46   5.400   5.424  -6.220
  379   2HG1  VAL  46          1HG1      VAL  46   3.645   5.653  -6.089
  380   3HG1  VAL  46          2HG1      VAL  46   4.713   6.326  -4.855
  381   1HG2  VAL  46          2HG2      VAL  46   4.014   2.101  -5.152
  382   2HG2  VAL  46          3HG2      VAL  46   3.205   3.249  -6.225
  383   3HG2  VAL  46          1HG2      VAL  46   4.945   2.914  -6.414
  384    H    ASP  47           H        ASP  47   8.020   4.967  -3.710
  385    HA   ASP  47           HA       ASP  47   7.678   6.285  -1.179
  386   1HB   ASP  47          1HB       ASP  47   9.862   5.531  -2.172
  387   2HB   ASP  47          2HB       ASP  47   9.764   6.905  -3.296
  388    H    ILE  48           H        ILE  48   6.114   7.778  -1.055
  389    HA   ILE  48           HA       ILE  48   5.308   9.439  -3.259
  390    HB   ILE  48           HB       ILE  48   3.796  10.467  -1.756
  391   1HG1  ILE  48          1HG1      ILE  48   4.850   8.969   0.658
  392   2HG1  ILE  48          2HG1      ILE  48   5.343  10.599   0.309
  393   1HG2  ILE  48          3HG2      ILE  48   3.364   8.147  -2.614
  394   2HG2  ILE  48          1HG2      ILE  48   3.956   7.493  -1.084
  395   3HG2  ILE  48          2HG2      ILE  48   2.504   8.494  -1.099
  396   1HD1  ILE  48          1HD1      ILE  48   2.904  11.267   0.338
  397   2HD1  ILE  48          2HD1      ILE  48   2.513   9.626   0.872
  398   3HD1  ILE  48          3HD1      ILE  48   3.526  10.668   1.885
  399    H    THR  49           H        THR  49   7.983   9.731  -1.083
  400    HA   THR  49           HA       THR  49   8.047  12.669  -1.270
  401    HB   THR  49           HB       THR  49   9.916  12.584   0.175
  402    HG1  THR  49           HG1      THR  49   9.922   9.780  -0.229
  403   1HG2  THR  49          2HG2      THR  49   7.678  12.398   1.219
  404   2HG2  THR  49          3HG2      THR  49   7.847  10.629   1.229
  405   3HG2  THR  49          1HG2      THR  49   8.951  11.639   2.186
  406    H    ALA  50           H        ALA  50   8.543  10.396  -3.495
  407    HA   ALA  50           HA       ALA  50  11.121  10.721  -4.478
  408   1HB   ALA  50          3HB       ALA  50   8.497  10.164  -5.916
  409   2HB   ALA  50          1HB       ALA  50  10.104   9.965  -6.648
  410   3HB   ALA  50          2HB       ALA  50   9.648   8.985  -5.249
  411    H    THR  51           H        THR  51   8.536  13.127  -4.640
  412    HA   THR  51           HA       THR  51  10.647  14.911  -5.625
  413    HB   THR  51           HB       THR  51   9.102  16.234  -7.007
  414    HG1  THR  51           HG1      THR  51   7.164  15.437  -7.642
  415   1HG2  THR  51          1HG2      THR  51  10.548  14.552  -8.119
  416   2HG2  THR  51          2HG2      THR  51   9.235  13.358  -8.006
  417   3HG2  THR  51          3HG2      THR  51   9.025  14.817  -8.981
  418    H    ASN  52           H        ASN  52   7.569  16.326  -5.295
  419    HA   ASN  52           HA       ASN  52   7.606  16.426  -2.337
  420   1HB   ASN  52          1HB       ASN  52   8.572  18.561  -3.293
  421   2HB   ASN  52          2HB       ASN  52   6.993  18.856  -4.035
  422   1HD2  ASN  52          2HD2      ASN  52   6.161  20.605  -1.052
  423   2HD2  ASN  52          1HD2      ASN  52   6.310  20.674  -2.792
  424    H    HIS  53           H        HIS  53   6.003  15.534  -5.149
  425    HA   HIS  53           HA       HIS  53   3.331  16.322  -4.620
  426   1HB   HIS  53          1HB       HIS  53   4.581  14.072  -6.203
  427   2HB   HIS  53          2HB       HIS  53   2.843  14.165  -5.999
  428    HD1  HIS  53          1HD       HIS  53   4.327  14.556  -8.909
  429    HD2  HIS  53          2HD       HIS  53   2.668  17.496  -6.345
  430    HE1  HIS  53          1HE       HIS  53   3.658  16.483 -10.353
  431    H    THR  54           H        THR  54   5.231  14.431  -2.609
  432    HA   THR  54           HA       THR  54   3.687  12.450  -1.569
  433    HB   THR  54           HB       THR  54   5.602  12.530  -0.379
  434    HG1  THR  54           HG1      THR  54   5.113  14.068   1.629
  435   1HG2  THR  54          2HG2      THR  54   5.468  15.516  -0.309
  436   2HG2  THR  54          3HG2      THR  54   6.744  14.497   0.416
  437   3HG2  THR  54          1HG2      THR  54   6.516  14.479  -1.334
  438    H    ASN  55           H        ASN  55   3.618  15.749  -0.444
  439    HA   ASN  55           HA       ASN  55   1.545  15.614   1.357
  440   1HB   ASN  55          1HB       ASN  55   1.924  18.076  -0.364
  441   2HB   ASN  55          2HB       ASN  55   1.353  17.986   1.296
  442   1HD2  ASN  55          2HD2      ASN  55   5.341  18.310   0.522
  443   2HD2  ASN  55          1HD2      ASN  55   4.029  18.748  -0.535
  444    H    GLU  56           H        GLU  56   1.243  16.301  -2.143
  445    HA   GLU  56           HA       GLU  56  -1.613  16.497  -2.179
  446   1HB   GLU  56          1HB       GLU  56   0.675  16.258  -4.160
  447   2HB   GLU  56          2HB       GLU  56  -0.956  15.842  -4.691
  448   1HG   GLU  56          1HG       GLU  56  -1.805  18.030  -3.991
  449   2HG   GLU  56          2HG       GLU  56  -0.172  18.506  -3.491
  450    H    ILE  57           H        ILE  57   0.666  13.758  -2.590
  451    HA   ILE  57           HA       ILE  57  -1.217  11.928  -3.778
  452    HB   ILE  57           HB       ILE  57   1.512  11.677  -2.437
  453   1HG1  ILE  57          1HG1      ILE  57   0.626  10.674  -5.176
  454   2HG1  ILE  57          2HG1      ILE  57   1.104  12.348  -4.905
  455   1HG2  ILE  57          2HG2      ILE  57  -0.399   9.414  -3.067
  456   2HG2  ILE  57          3HG2      ILE  57   1.338   9.156  -3.107
  457   3HG2  ILE  57          1HG2      ILE  57   0.553   9.674  -1.607
  458   1HD1  ILE  57          3HD1      ILE  57   3.303  11.535  -3.951
  459   2HD1  ILE  57          1HD1      ILE  57   2.874   9.908  -4.533
  460   3HD1  ILE  57          2HD1      ILE  57   3.058  11.247  -5.667
  461    H    GLN  58           H        GLN  58   0.010  12.422  -0.437
  462    HA   GLN  58           HA       GLN  58  -1.626  10.442   0.804
  463   1HB   GLN  58          1HB       GLN  58  -1.479  12.387   2.733
  464   2HB   GLN  58          2HB       GLN  58  -0.438  11.044   2.490
  465   1HG   GLN  58          1HG       GLN  58   1.294  12.376   1.559
  466   2HG   GLN  58          2HG       GLN  58   0.194  13.724   1.306
  467   1HE2  GLN  58          2HE2      GLN  58   1.841  13.062   4.995
  468   2HE2  GLN  58          1HE2      GLN  58   1.720  11.737   3.863
  469    H    ASP  59           H        ASP  59  -2.139  13.862   0.585
  470    HA   ASP  59           HA       ASP  59  -4.792  13.983   1.430
  471   1HB   ASP  59          1HB       ASP  59  -3.170  15.688  -0.453
  472   2HB   ASP  59          2HB       ASP  59  -4.893  15.937  -0.393
  473    H    TYR  60           H        TYR  60  -3.733  13.236  -1.925
  474    HA   TYR  60           HA       TYR  60  -6.341  12.978  -3.014
  475   1HB   TYR  60          1HB       TYR  60  -4.132  13.040  -4.286
  476   2HB   TYR  60          2HB       TYR  60  -3.884  11.373  -3.822
  477    HD1  TYR  60          1HD       TYR  60  -6.509  13.599  -5.368
  478    HD2  TYR  60          2HD       TYR  60  -4.602   9.732  -5.342
  479    HE1  TYR  60          1HE       TYR  60  -7.801  12.956  -7.371
  480    HE2  TYR  60          2HE       TYR  60  -5.854   9.091  -7.378
  481    HH   TYR  60           HH       TYR  60  -7.474   9.736  -8.880
  482    H    LEU  61           H        LEU  61  -4.254  10.607  -1.335
  483    HA   LEU  61           HA       LEU  61  -5.979   8.366  -1.727
  484   1HB   LEU  61          1HB       LEU  61  -4.025   8.910   0.540
  485   2HB   LEU  61          2HB       LEU  61  -4.854   7.398   0.274
  486    HG   LEU  61           HG       LEU  61  -3.104   8.570  -1.913
  487   1HD1  LEU  61          3HD1      LEU  61  -1.735   8.418   0.170
  488   2HD1  LEU  61          1HD1      LEU  61  -2.146   6.699   0.287
  489   3HD1  LEU  61          2HD1      LEU  61  -1.224   7.322  -1.108
  490   1HD2  LEU  61          3HD2      LEU  61  -4.618   6.704  -2.468
  491   2HD2  LEU  61          1HD2      LEU  61  -2.914   6.232  -2.584
  492   3HD2  LEU  61          2HD2      LEU  61  -3.890   5.719  -1.187
  493    H    GLN  62           H        GLN  62  -6.250  11.089   0.569
  494    HA   GLN  62           HA       GLN  62  -8.238   9.774   2.219
  495   1HB   GLN  62          1HB       GLN  62  -7.167  11.704   3.051
  496   2HB   GLN  62          2HB       GLN  62  -7.689  12.708   1.719
  497   1HG   GLN  62          1HG       GLN  62  -9.653  11.358   3.588
  498   2HG   GLN  62          2HG       GLN  62  -8.852  12.863   4.052
  499   1HE2  GLN  62          2HE2      GLN  62 -10.403  14.826   1.384
  500   2HE2  GLN  62          1HE2      GLN  62  -8.938  14.690   2.323
  501    H    GLN  63           H        GLN  63  -8.506  12.065  -0.460
  502    HA   GLN  63           HA       GLN  63 -11.290  11.984  -0.750
  503   1HB   GLN  63          1HB       GLN  63  -9.449  13.439  -1.855
  504   2HB   GLN  63          2HB       GLN  63  -9.352  12.226  -3.105
  505   1HG   GLN  63          1HG       GLN  63 -12.062  13.405  -2.399
  506   2HG   GLN  63          2HG       GLN  63 -10.912  14.360  -3.325
  507   1HE2  GLN  63          2HE2      GLN  63 -12.670  11.145  -5.182
  508   2HE2  GLN  63          1HE2      GLN  63 -12.763  11.249  -3.424
  509    H    LEU  64           H        LEU  64  -8.853  10.053  -2.384
  510    HA   LEU  64           HA       LEU  64 -10.677   8.453  -3.915
  511   1HB   LEU  64          1HB       LEU  64  -8.557   8.836  -4.854
  512   2HB   LEU  64          2HB       LEU  64  -7.740   8.460  -3.353
  513    HG   LEU  64           HG       LEU  64  -8.294   6.013  -3.667
  514   1HD1  LEU  64          3HD1      LEU  64 -10.111   6.337  -5.377
  515   2HD1  LEU  64          1HD1      LEU  64  -8.893   6.992  -6.471
  516   3HD1  LEU  64          2HD1      LEU  64  -8.781   5.298  -5.981
  517   1HD2  LEU  64          2HD2      LEU  64  -6.093   7.016  -4.109
  518   2HD2  LEU  64          3HD2      LEU  64  -6.449   5.700  -5.246
  519   3HD2  LEU  64          1HD2      LEU  64  -6.590   7.393  -5.767
  520    H    THR  65           H        THR  65  -9.230   7.841  -0.655
  521    HA   THR  65           HA       THR  65 -10.497   5.149  -0.756
  522    HB   THR  65           HB       THR  65  -8.769   4.164   0.434
  523    HG1  THR  65           HG1      THR  65  -7.618   6.729   0.748
  524   1HG2  THR  65          3HG2      THR  65  -8.286   4.471  -1.946
  525   2HG2  THR  65          1HG2      THR  65  -7.397   5.982  -1.574
  526   3HG2  THR  65          2HG2      THR  65  -6.809   4.432  -0.962
  527    H    GLY  66           H        GLY  66 -10.204   8.000   1.323
  528   1HA   GLY  66          1HA       GLY  66 -12.000   8.198   2.969
  529   2HA   GLY  66          2HA       GLY  66 -11.737   6.529   3.426
  530    H    ALA  67           H        ALA  67  -8.586   7.707   2.961
  531    HA   ALA  67           HA       ALA  67  -8.363   9.511   5.177
  532   1HB   ALA  67          3HB       ALA  67  -7.740   6.593   5.583
  533   2HB   ALA  67          1HB       ALA  67  -6.723   7.803   6.387
  534   3HB   ALA  67          2HB       ALA  67  -8.465   7.749   6.706
  535    H    ARG  68           H        ARG  68  -6.228  10.365   5.343
  536    HA   ARG  68           HA       ARG  68  -4.608   9.951   2.860
  537   1HB   ARG  68          1HB       ARG  68  -3.530  12.093   3.368
  538   2HB   ARG  68          2HB       ARG  68  -5.232  12.279   3.187
  539   1HG   ARG  68          1HG       ARG  68  -5.263  12.140   5.815
  540   2HG   ARG  68          2HG       ARG  68  -3.518  12.403   5.689
  541   1HD   ARG  68          1HD       ARG  68  -3.761  14.590   4.911
  542   2HD   ARG  68          2HD       ARG  68  -5.270  14.250   4.077
  543    HE   ARG  68           HE       ARG  68  -4.948  14.698   7.002
  544   1HH1  ARG  68          2HH2      ARG  68  -6.986  15.191   4.075
  545   2HH1  ARG  68          1HH2      ARG  68  -8.363  15.646   5.008
  546   1HH2  ARG  68          2HH1      ARG  68  -6.890  14.984   8.144
  547   2HH2  ARG  68          1HH1      ARG  68  -8.300  15.615   7.346
  548    H    THR  69           H        THR  69  -4.543   8.863   6.102
  549    HA   THR  69           HA       THR  69  -1.785   9.343   6.636
  550    HB   THR  69           HB       THR  69  -2.299   7.325   8.256
  551    HG1  THR  69           HG1      THR  69  -4.577   7.283   8.704
  552   1HG2  THR  69          1HG2      THR  69  -3.614  10.074   8.359
  553   2HG2  THR  69          2HG2      THR  69  -3.424   9.014   9.772
  554   3HG2  THR  69          3HG2      THR  69  -1.995   9.651   8.939
  555    H    VAL  70           H        VAL  70  -0.063   8.231   6.212
  556    HA   VAL  70           HA       VAL  70  -0.202   5.916   4.433
  557    HB   VAL  70           HB       VAL  70   2.271   6.816   3.987
  558   1HG1  VAL  70          2HG1      VAL  70   0.408   6.471   2.362
  559   2HG1  VAL  70          3HG1      VAL  70  -0.200   8.091   2.737
  560   3HG1  VAL  70          1HG1      VAL  70   1.408   7.876   1.986
  561   1HG2  VAL  70          2HG2      VAL  70   2.050   8.825   5.546
  562   2HG2  VAL  70          3HG2      VAL  70   2.405   9.251   3.855
  563   3HG2  VAL  70          1HG2      VAL  70   0.771   9.452   4.484
  564    HA   PRO  71           HA       PRO  71   1.837   4.229   3.994
  565   1HB   PRO  71          1HB       PRO  71   1.547   1.577   4.663
  566   2HB   PRO  71          2HB       PRO  71   3.049   2.478   5.002
  567   1HG   PRO  71          1HG       PRO  71   0.713   1.995   6.888
  568   2HG   PRO  71          2HG       PRO  71   2.441   1.688   7.200
  569   1HD   PRO  71          1HD       PRO  71   1.291   3.970   8.040
  570   2HD   PRO  71          2HD       PRO  71   2.935   4.009   7.339
  571    H    ARG  72           H        ARG  72   0.371   3.235   2.511
  572    HA   ARG  72           HA       ARG  72  -2.399   2.744   3.475
  573   1HB   ARG  72          1HB       ARG  72  -2.049   5.136   2.774
  574   2HB   ARG  72          2HB       ARG  72  -1.635   4.578   1.158
  575   1HG   ARG  72          1HG       ARG  72  -3.809   4.230   0.600
  576   2HG   ARG  72          2HG       ARG  72  -4.170   3.390   2.110
  577   1HD   ARG  72          1HD       ARG  72  -3.886   6.410   1.969
  578   2HD   ARG  72          2HD       ARG  72  -5.421   5.577   1.721
  579    HE   ARG  72           HE       ARG  72  -3.789   5.723   4.192
  580   1HH1  ARG  72          2HH2      ARG  72  -6.964   5.048   2.743
  581   2HH1  ARG  72          1HH2      ARG  72  -7.719   4.561   4.211
  582   1HH2  ARG  72          2HH1      ARG  72  -4.779   5.318   6.156
  583   2HH2  ARG  72          1HH1      ARG  72  -6.424   4.785   6.266
  584    H    VAL  73           H        VAL  73  -2.757   0.665   2.854
  585    HA   VAL  73           HA       VAL  73  -1.093  -0.449   0.676
  586    HB   VAL  73           HB       VAL  73  -2.793  -1.683   2.871
  587   1HG1  VAL  73          1HG1      VAL  73  -1.278  -3.116   0.628
  588   2HG1  VAL  73          2HG1      VAL  73  -2.038  -3.907   2.030
  589   3HG1  VAL  73          3HG1      VAL  73  -3.035  -3.103   0.832
  590   1HG2  VAL  73          1HG2      VAL  73   0.194  -1.711   2.276
  591   2HG2  VAL  73          2HG2      VAL  73  -0.623  -0.906   3.640
  592   3HG2  VAL  73          3HG2      VAL  73  -0.579  -2.667   3.513
  593    H    PHE  74           H        PHE  74  -1.826  -0.786  -1.253
  594    HA   PHE  74           HA       PHE  74  -4.719  -0.842  -1.873
  595   1HB   PHE  74          1HB       PHE  74  -2.493   0.813  -2.835
  596   2HB   PHE  74          2HB       PHE  74  -3.138  -0.147  -4.128
  597    HD1  PHE  74          1HD       PHE  74  -5.805  -0.231  -4.237
  598    HD2  PHE  74          2HD       PHE  74  -3.479   2.937  -2.490
  599    HE1  PHE  74          1HE       PHE  74  -7.673   1.371  -4.647
  600    HE2  PHE  74          2HE       PHE  74  -5.310   4.540  -2.981
  601    HZ   PHE  74           HZ       PHE  74  -7.407   3.749  -4.064
  602    H    ILE  75           H        ILE  75  -5.056  -3.036  -1.921
  603    HA   ILE  75           HA       ILE  75  -3.104  -4.807  -3.312
  604    HB   ILE  75           HB       ILE  75  -5.005  -5.201  -1.075
  605   1HG1  ILE  75          1HG1      ILE  75  -3.619  -7.262  -0.759
  606   2HG1  ILE  75          2HG1      ILE  75  -2.603  -6.718  -2.108
  607   1HG2  ILE  75          2HG2      ILE  75  -4.880  -7.242  -3.377
  608   2HG2  ILE  75          3HG2      ILE  75  -5.479  -7.620  -1.765
  609   3HG2  ILE  75          1HG2      ILE  75  -6.344  -6.445  -2.754
  610   1HD1  ILE  75          2HD1      ILE  75  -2.190  -4.666  -0.690
  611   2HD1  ILE  75          3HD1      ILE  75  -3.000  -5.555   0.643
  612   3HD1  ILE  75          1HD1      ILE  75  -1.517  -6.187  -0.078
  613    H    GLY  76           H        GLY  76  -3.519  -4.994  -5.477
  614   1HA   GLY  76          1HA       GLY  76  -4.621  -5.066  -7.456
  615   2HA   GLY  76          2HA       GLY  76  -5.816  -5.988  -6.545
  616    H    LYS  77           H        LYS  77  -4.860  -2.591  -7.038
  617    HA   LYS  77           HA       LYS  77  -5.928  -0.660  -6.985
  618   1HB   LYS  77          1HB       LYS  77  -6.610  -2.008  -9.295
  619   2HB   LYS  77          2HB       LYS  77  -8.179  -1.494  -8.674
  620   1HG   LYS  77          1HG       LYS  77  -6.939   0.806  -8.277
  621   2HG   LYS  77          2HG       LYS  77  -5.751   0.181  -9.414
  622   1HD   LYS  77          1HD       LYS  77  -8.733   0.378 -10.028
  623   2HD   LYS  77          2HD       LYS  77  -7.583   1.680 -10.364
  624   1HE   LYS  77          1HE       LYS  77  -6.367   0.405 -11.956
  625   2HE   LYS  77          2HE       LYS  77  -7.153  -1.108 -11.448
  626   1HZ   LYS  77          3HZ       LYS  77  -8.654   1.101 -12.675
  627   2HZ   LYS  77          1HZ       LYS  77  -7.988  -0.104 -13.551
  628   3HZ   LYS  77          2HZ       LYS  77  -9.130  -0.495 -12.455
  629    H    ASP  78           H        ASP  78  -7.086  -2.659  -4.803
  630    HA   ASP  78           HA       ASP  78  -9.151  -0.646  -4.084
  631   1HB   ASP  78          1HB       ASP  78  -9.943  -3.059  -4.707
  632   2HB   ASP  78          2HB       ASP  78  -9.304  -3.493  -3.113
  633    H    CYS  79           H        CYS  79  -8.925   0.272  -2.100
  634    HA   CYS  79           HA       CYS  79  -6.346  -0.084  -0.767
  635   1HB   CYS  79          1HB       CYS  79  -7.434   2.133  -1.305
  636   2HB   CYS  79          2HB       CYS  79  -8.629   1.793  -0.040
  637    HG   CYS  79           HG       CYS  79  -6.934   3.447   0.932
  638    H    ILE  80           H        ILE  80  -6.042  -1.513   1.092
  639    HA   ILE  80           HA       ILE  80  -8.493  -2.520   2.317
  640    HB   ILE  80           HB       ILE  80  -7.144  -4.087   3.335
  641   1HG1  ILE  80          1HG1      ILE  80  -4.679  -4.331   2.705
  642   2HG1  ILE  80          2HG1      ILE  80  -4.738  -2.617   2.281
  643   1HG2  ILE  80          2HG2      ILE  80  -7.871  -4.476   1.018
  644   2HG2  ILE  80          3HG2      ILE  80  -6.308  -3.874   0.426
  645   3HG2  ILE  80          1HG2      ILE  80  -6.383  -5.350   1.415
  646   1HD1  ILE  80          3HD1      ILE  80  -5.587  -3.655   5.013
  647   2HD1  ILE  80          1HD1      ILE  80  -3.903  -3.262   4.624
  648   3HD1  ILE  80          2HD1      ILE  80  -5.118  -1.997   4.572
  649    H    GLY  81           H        GLY  81  -6.369   0.138   2.784
  650   1HA   GLY  81          1HA       GLY  81  -7.306   1.671   4.545
  651   2HA   GLY  81          2HA       GLY  81  -7.121   0.315   5.663
  652    H    GLY  82           H        GLY  82  -5.734   1.729   6.873
  653   1HA   GLY  82          1HA       GLY  82  -3.068   2.333   5.710
  654   2HA   GLY  82          2HA       GLY  82  -3.770   3.111   7.136
  655    H    CYS  83           H        CYS  83  -2.082   2.520   8.585
  656    HA   CYS  83           HA       CYS  83  -0.822  -0.080   8.434
  657   1HB   CYS  83          1HB       CYS  83   0.146   2.283   9.287
  658   2HB   CYS  83          2HB       CYS  83  -0.473   1.702  10.842
  659    HG   CYS  83           HG       CYS  83   0.663  -0.684  10.628
  660    H    SER  84           H        SER  84  -3.245   1.535  10.589
  661    HA   SER  84           HA       SER  84  -3.161  -0.567  12.472
  662   1HB   SER  84          1HB       SER  84  -5.385   1.432  11.912
  663   2HB   SER  84          2HB       SER  84  -5.257   0.392  13.342
  664    HG   SER  84           HG       SER  84  -4.256   2.253  13.930
  665    H    ASP  85           H        ASP  85  -5.350  -0.012   9.689
  666    HA   ASP  85           HA       ASP  85  -6.906  -2.395   9.888
  667   1HB   ASP  85          1HB       ASP  85  -6.021  -0.630   7.582
  668   2HB   ASP  85          2HB       ASP  85  -6.830  -2.157   7.259
  669    H    LEU  86           H        LEU  86  -3.928  -1.731   7.992
  670    HA   LEU  86           HA       LEU  86  -3.548  -4.213   6.900
  671   1HB   LEU  86          1HB       LEU  86  -2.247  -2.214   6.302
  672   2HB   LEU  86          2HB       LEU  86  -1.459  -2.235   7.883
  673    HG   LEU  86           HG       LEU  86  -0.422  -4.445   7.317
  674   1HD1  LEU  86          1HD1      LEU  86  -1.793  -3.979   4.642
  675   2HD1  LEU  86          2HD1      LEU  86  -0.436  -5.102   4.885
  676   3HD1  LEU  86          3HD1      LEU  86  -1.962  -5.349   5.732
  677   1HD2  LEU  86          3HD2      LEU  86   0.126  -2.045   5.555
  678   2HD2  LEU  86          1HD2      LEU  86   0.874  -2.480   7.089
  679   3HD2  LEU  86          2HD2      LEU  86   1.192  -3.470   5.658
  680    H    VAL  87           H        VAL  87  -2.428  -3.205  10.250
  681    HA   VAL  87           HA       VAL  87  -0.998  -5.569  10.714
  682    HB   VAL  87           HB       VAL  87  -2.303  -3.379  12.396
  683   1HG1  VAL  87          2HG1      VAL  87  -0.642  -5.729  13.347
  684   2HG1  VAL  87          3HG1      VAL  87  -1.005  -4.262  14.315
  685   3HG1  VAL  87          1HG1      VAL  87  -2.317  -5.329  13.794
  686   1HG2  VAL  87          1HG2      VAL  87  -0.154  -2.947  10.993
  687   2HG2  VAL  87          2HG2      VAL  87  -0.093  -2.549  12.718
  688   3HG2  VAL  87          3HG2      VAL  87   0.651  -4.046  12.120
  689    H    SER  88           H        SER  88  -4.523  -4.727  11.400
  690    HA   SER  88           HA       SER  88  -5.133  -7.194  12.749
  691   1HB   SER  88          1HB       SER  88  -6.737  -5.140  11.209
  692   2HB   SER  88          2HB       SER  88  -7.336  -6.780  11.093
  693    HG   SER  88           HG       SER  88  -8.313  -5.798  12.759
  694    H    LEU  89           H        LEU  89  -5.373  -6.185   9.311
  695    HA   LEU  89           HA       LEU  89  -6.336  -8.653   8.422
  696   1HB   LEU  89          1HB       LEU  89  -4.886  -6.412   6.952
  697   2HB   LEU  89          2HB       LEU  89  -5.413  -7.878   6.172
  698    HG   LEU  89           HG       LEU  89  -7.773  -7.360   7.112
  699   1HD1  LEU  89          1HD1      LEU  89  -6.499  -4.608   6.983
  700   2HD1  LEU  89          2HD1      LEU  89  -8.240  -4.894   6.905
  701   3HD1  LEU  89          3HD1      LEU  89  -7.358  -5.358   8.357
  702   1HD2  LEU  89          1HD2      LEU  89  -6.512  -5.955   4.714
  703   2HD2  LEU  89          2HD2      LEU  89  -7.177  -7.602   4.733
  704   3HD2  LEU  89          3HD2      LEU  89  -8.254  -6.227   4.954
  705    H    GLN  90           H        GLN  90  -2.904  -7.577   8.824
  706    HA   GLN  90           HA       GLN  90  -1.922  -9.901   7.415
  707   1HB   GLN  90          1HB       GLN  90  -0.630  -7.698   7.742
  708   2HB   GLN  90          2HB       GLN  90  -0.427  -8.134   9.415
  709   1HG   GLN  90          1HG       GLN  90   0.354 -10.365   7.649
  710   2HG   GLN  90          2HG       GLN  90   1.208  -8.901   7.246
  711   1HE2  GLN  90          2HE2      GLN  90   3.604  -9.709   9.697
  712   2HE2  GLN  90          1HE2      GLN  90   3.273  -9.201   8.047
  713    H    GLN  91           H        GLN  91  -2.194  -9.013  10.937
  714    HA   GLN  91           HA       GLN  91  -0.939 -11.357  11.845
  715   1HB   GLN  91          1HB       GLN  91  -1.865  -8.831  12.820
  716   2HB   GLN  91          2HB       GLN  91  -2.720  -9.994  13.784
  717   1HG   GLN  91          1HG       GLN  91   0.286 -10.173  13.322
  718   2HG   GLN  91          2HG       GLN  91  -0.429  -9.004  14.394
  719   1HE2  GLN  91          2HE2      GLN  91  -1.169 -12.816  15.724
  720   2HE2  GLN  91          1HE2      GLN  91  -1.648 -12.470  14.076
  721    H    SER  92           H        SER  92  -4.378 -10.488  11.381
  722    HA   SER  92           HA       SER  92  -5.282 -13.046  12.553
  723   1HB   SER  92          1HB       SER  92  -6.355 -10.765  13.046
  724   2HB   SER  92          2HB       SER  92  -6.971 -10.806  11.381
  725    HG   SER  92           HG       SER  92  -7.862 -12.904  11.968
  726    H    GLY  93           H        GLY  93  -4.150 -11.987   9.549
  727   1HA   GLY  93          1HA       GLY  93  -3.881 -13.313   7.743
  728   2HA   GLY  93          2HA       GLY  93  -5.069 -14.453   8.372
  729    H    GLU  94           H        GLU  94  -6.634 -11.309   8.248
  730    HA   GLU  94           HA       GLU  94  -8.295 -12.253   6.105
  731   1HB   GLU  94          1HB       GLU  94  -9.161 -10.813   7.834
  732   2HB   GLU  94          2HB       GLU  94  -7.901  -9.634   7.561
  733   1HG   GLU  94          1HG       GLU  94  -9.829  -8.678   6.705
  734   2HG   GLU  94          2HG       GLU  94  -8.894  -9.138   5.295
  735    H    LEU  95           H        LEU  95  -5.412 -10.276   6.294
  736    HA   LEU  95           HA       LEU  95  -5.337  -9.065   3.733
  737   1HB   LEU  95          1HB       LEU  95  -3.705  -8.902   5.827
  738   2HB   LEU  95          2HB       LEU  95  -2.912 -10.266   5.137
  739    HG   LEU  95           HG       LEU  95  -2.358  -8.899   3.173
  740   1HD1  LEU  95          2HD1      LEU  95  -3.809  -6.638   4.627
  741   2HD1  LEU  95          3HD1      LEU  95  -2.748  -6.424   3.219
  742   3HD1  LEU  95          1HD1      LEU  95  -4.256  -7.320   3.047
  743   1HD2  LEU  95          1HD2      LEU  95  -1.735  -7.631   5.842
  744   2HD2  LEU  95          2HD2      LEU  95  -0.859  -8.984   5.085
  745   3HD2  LEU  95          3HD2      LEU  95  -0.817  -7.374   4.357
  746    H    LEU  96           H        LEU  96  -4.683 -12.399   4.756
  747    HA   LEU  96           HA       LEU  96  -2.970 -13.026   2.501
  748   1HB   LEU  96          1HB       LEU  96  -4.326 -14.858   4.478
  749   2HB   LEU  96          2HB       LEU  96  -3.154 -15.309   3.258
  750    HG   LEU  96           HG       LEU  96  -2.770 -13.851   5.843
  751   1HD1  LEU  96          1HD1      LEU  96  -2.150 -16.206   5.388
  752   2HD1  LEU  96          2HD1      LEU  96  -1.012 -15.649   4.136
  753   3HD1  LEU  96          3HD1      LEU  96  -0.738 -15.211   5.843
  754   1HD2  LEU  96          2HD2      LEU  96  -1.872 -12.082   4.297
  755   2HD2  LEU  96          3HD2      LEU  96  -0.659 -12.830   5.286
  756   3HD2  LEU  96          1HD2      LEU  96  -0.810 -13.297   3.568
  757    H    THR  97           H        THR  97  -6.360 -13.788   3.400
  758    HA   THR  97           HA       THR  97  -7.124 -15.075   0.994
  759    HB   THR  97           HB       THR  97  -8.723 -13.344   2.944
  760    HG1  THR  97           HG1      THR  97  -8.825 -15.076   4.184
  761   1HG2  THR  97          3HG2      THR  97  -9.605 -15.634   1.124
  762   2HG2  THR  97          1HG2      THR  97 -10.616 -14.837   2.353
  763   3HG2  THR  97          2HG2      THR  97 -10.049 -13.915   0.959
  764    H    ARG  98           H        ARG  98  -7.306 -11.614   2.013
  765    HA   ARG  98           HA       ARG  98  -8.479 -10.714  -0.335
  766   1HB   ARG  98          1HB       ARG  98  -7.910  -9.606   2.043
  767   2HB   ARG  98          2HB       ARG  98  -6.592  -8.863   1.138
  768   1HG   ARG  98          1HG       ARG  98  -9.527  -8.823   0.277
  769   2HG   ARG  98          2HG       ARG  98  -8.841  -7.602   1.349
  770   1HD   ARG  98          1HD       ARG  98  -7.496  -6.657  -0.297
  771   2HD   ARG  98          2HD       ARG  98  -7.457  -8.124  -1.259
  772    HE   ARG  98           HE       ARG  98  -9.638  -6.144  -1.188
  773   1HH1  ARG  98          2HH2      ARG  98  -8.454  -9.254  -2.550
  774   2HH1  ARG  98          1HH2      ARG  98  -9.604  -9.235  -3.822
  775   1HH2  ARG  98          2HH1      ARG  98 -11.060  -6.145  -2.818
  776   2HH2  ARG  98          1HH1      ARG  98 -11.115  -7.371  -4.062
  777    H    LEU  99           H        LEU  99  -4.888 -10.923   0.345
  778    HA   LEU  99           HA       LEU  99  -4.151 -10.063  -2.271
  779   1HB   LEU  99          1HB       LEU  99  -2.804 -11.586   0.010
  780   2HB   LEU  99          2HB       LEU  99  -2.080 -11.634  -1.574
  781    HG   LEU  99           HG       LEU  99  -2.494  -8.987  -1.478
  782   1HD1  LEU  99          1HD1      LEU  99  -1.986  -9.900   1.364
  783   2HD1  LEU  99          2HD1      LEU  99  -1.752  -8.227   0.831
  784   3HD1  LEU  99          3HD1      LEU  99  -3.374  -8.935   0.799
  785   1HD2  LEU  99          1HD2      LEU  99  -0.154 -10.446  -0.248
  786   2HD2  LEU  99          2HD2      LEU  99  -0.356 -10.035  -1.974
  787   3HD2  LEU  99          3HD2      LEU  99  -0.136  -8.749  -0.784
  788    H    LYS 100           H        LYS 100  -4.655 -13.441  -1.002
  789    HA   LYS 100           HA       LYS 100  -3.305 -14.401  -3.295
  790   1HB   LYS 100          1HB       LYS 100  -4.301 -15.634  -1.031
  791   2HB   LYS 100          2HB       LYS 100  -5.319 -16.329  -2.293
  792   1HG   LYS 100          1HG       LYS 100  -3.186 -16.723  -3.666
  793   2HG   LYS 100          2HG       LYS 100  -2.264 -16.192  -2.277
  794   1HD   LYS 100          1HD       LYS 100  -3.183 -18.063  -0.913
  795   2HD   LYS 100          2HD       LYS 100  -4.178 -18.581  -2.296
  796   1HE   LYS 100          1HE       LYS 100  -2.109 -18.974  -3.636
  797   2HE   LYS 100          2HE       LYS 100  -1.129 -18.454  -2.269
  798   1HZ   LYS 100          1HZ       LYS 100  -1.909 -20.297  -0.999
  799   2HZ   LYS 100          2HZ       LYS 100  -2.845 -20.844  -2.264
  800   3HZ   LYS 100          3HZ       LYS 100  -1.223 -20.808  -2.391
  801    H    GLN 101           H        GLN 101  -6.628 -13.633  -2.874
  802    HA   GLN 101           HA       GLN 101  -7.874 -14.503  -5.190
  803   1HB   GLN 101          1HB       GLN 101  -8.812 -13.160  -3.329
  804   2HB   GLN 101          2HB       GLN 101  -8.044 -11.713  -3.958
  805   1HG   GLN 101          1HG       GLN 101  -9.809 -13.256  -5.844
  806   2HG   GLN 101          2HG       GLN 101 -10.596 -12.453  -4.497
  807   1HE2  GLN 101          2HE2      GLN 101  -9.363 -10.213  -7.629
  808   2HE2  GLN 101          1HE2      GLN 101  -8.819 -11.889  -7.531
  809    H    ILE 102           H        ILE 102  -5.448 -11.795  -4.994
  810    HA   ILE 102           HA       ILE 102  -5.879 -11.185  -7.841
  811    HB   ILE 102           HB       ILE 102  -4.687  -9.242  -7.494
  812   1HG1  ILE 102          1HG1      ILE 102  -3.754  -9.260  -4.757
  813   2HG1  ILE 102          2HG1      ILE 102  -3.159 -10.693  -5.538
  814   1HG2  ILE 102          1HG2      ILE 102  -6.907  -9.359  -6.303
  815   2HG2  ILE 102          2HG2      ILE 102  -6.029  -9.665  -4.793
  816   3HG2  ILE 102          3HG2      ILE 102  -5.772  -8.142  -5.651
  817   1HD1  ILE 102          1HD1      ILE 102  -2.794  -7.879  -6.600
  818   2HD1  ILE 102          2HD1      ILE 102  -1.572  -8.852  -5.749
  819   3HD1  ILE 102          3HD1      ILE 102  -2.150  -9.376  -7.335
  820    H    GLY 103           H        GLY 103  -4.261 -13.618  -6.376
  821   1HA   GLY 103          1HA       GLY 103  -2.863 -15.156  -7.298
  822   2HA   GLY 103          2HA       GLY 103  -2.611 -14.110  -8.702
  823    H    ALA 104           H        ALA 104  -1.982 -13.967  -5.218
  824    HA   ALA 104           HA       ALA 104   0.664 -12.635  -5.677
  825   1HB   ALA 104          1HB       ALA 104  -1.464 -12.548  -3.473
  826   2HB   ALA 104          2HB       ALA 104   0.106 -11.725  -3.367
  827   3HB   ALA 104          3HB       ALA 104  -1.084 -11.247  -4.617
  828    H    LEU 105           H        LEU 105  -0.729 -14.396  -2.708
  829    HA   LEU 105           HA       LEU 105   1.884 -15.335  -2.148
  830   1HB   LEU 105          1HB       LEU 105  -0.399 -16.870  -1.083
  831   2HB   LEU 105          2HB       LEU 105   1.016 -16.234  -0.310
  832    HG   LEU 105           HG       LEU 105  -1.410 -14.530  -0.961
  833   1HD1  LEU 105          3HD1      LEU 105  -1.942 -16.288   0.679
  834   2HD1  LEU 105          1HD1      LEU 105  -0.550 -15.789   1.668
  835   3HD1  LEU 105          2HD1      LEU 105  -1.921 -14.684   1.412
  836   1HD2  LEU 105          1HD2      LEU 105   0.693 -13.231  -0.757
  837   2HD2  LEU 105          2HD2      LEU 105  -0.411 -12.903   0.593
  838   3HD2  LEU 105          3HD2      LEU 105   0.998 -13.968   0.818
  839    H    GLN 106           H        GLN 106   2.825 -17.148  -2.816
  840    HA   GLN 106           HA       GLN 106   1.624 -18.474  -5.124
  841   1HB   GLN 106          2HB       GLN 106   3.952 -17.467  -4.955
  842   2HB   GLN 106          3HB       GLN 106   4.420 -18.863  -3.964
  843   1HG   GLN 106          2HG       GLN 106   3.963 -20.336  -5.879
  844   2HG   GLN 106          3HG       GLN 106   3.307 -18.976  -6.805
  845   1HE2  GLN 106          2HE2      GLN 106   7.280 -19.630  -6.933
  846   2HE2  GLN 106          1HE2      GLN 106   6.121 -20.771  -6.263
   
  No H/Q in entry =         846
  Start of MODEL    8
    1   1H    ALA   2          1H        ALA   2  -2.217  15.834  -9.528
    2   2H    ALA   2          2H        ALA   2  -2.340  15.663  -7.876
    3   3H    ALA   2          3H        ALA   2  -1.077  16.449  -8.514
    4    HA   ALA   2           HA       ALA   2  -0.210  14.526  -9.552
    5   1HB   ALA   2          1HB       ALA   2   0.488  15.140  -7.260
    6   2HB   ALA   2          2HB       ALA   2  -0.881  14.218  -6.605
    7   3HB   ALA   2          3HB       ALA   2   0.449  13.380  -7.447
    8    H    GLN   3           H        GLN   3  -3.159  14.207 -10.169
    9    HA   GLN   3           HA       GLN   3  -3.941  11.682  -8.921
   10   1HB   GLN   3          1HB       GLN   3  -5.504  13.398 -10.884
   11   2HB   GLN   3          2HB       GLN   3  -6.093  12.097  -9.838
   12   1HG   GLN   3          1HG       GLN   3  -5.130  13.544  -7.872
   13   2HG   GLN   3          2HG       GLN   3  -5.088  14.854  -9.061
   14   1HE2  GLN   3          2HE2      GLN   3  -8.237  15.421  -7.371
   15   2HE2  GLN   3          1HE2      GLN   3  -6.504  15.816  -7.332
   16    H    GLU   4           H        GLU   4  -1.755  11.184 -10.332
   17    HA   GLU   4           HA       GLU   4  -2.557   9.357 -12.464
   18   1HB   GLU   4          1HB       GLU   4  -2.551  11.443 -13.701
   19   2HB   GLU   4          2HB       GLU   4  -0.935  11.842 -13.098
   20   1HG   GLU   4          1HG       GLU   4  -0.003   9.902 -14.320
   21   2HG   GLU   4          2HG       GLU   4  -1.637   9.406 -14.800
   22    H    PHE   5           H        PHE   5   0.260  11.137 -10.951
   23    HA   PHE   5           HA       PHE   5   2.149   9.142 -11.064
   24   1HB   PHE   5          1HB       PHE   5   2.536  11.346 -10.045
   25   2HB   PHE   5          2HB       PHE   5   1.517  10.927  -8.678
   26    HD1  PHE   5          1HD       PHE   5   4.780  10.350 -10.339
   27    HD2  PHE   5          2HD       PHE   5   2.344   9.396  -6.906
   28    HE1  PHE   5          1HE       PHE   5   6.750   9.354  -9.202
   29    HE2  PHE   5          2HE       PHE   5   4.322   8.421  -5.781
   30    HZ   PHE   5           HZ       PHE   5   6.516   8.371  -6.936
   31    H    VAL   6           H        VAL   6  -0.294   9.467  -8.463
   32    HA   VAL   6           HA       VAL   6   0.105   6.854  -7.326
   33    HB   VAL   6           HB       VAL   6  -1.957   9.049  -7.186
   34   1HG1  VAL   6          2HG1      VAL   6  -2.464   6.348  -5.890
   35   2HG1  VAL   6          3HG1      VAL   6  -3.354   7.854  -5.582
   36   3HG1  VAL   6          1HG1      VAL   6  -3.449   7.094  -7.163
   37   1HG2  VAL   6          1HG2      VAL   6   0.133   9.026  -5.750
   38   2HG2  VAL   6          2HG2      VAL   6  -1.396   9.066  -4.846
   39   3HG2  VAL   6          3HG2      VAL   6  -0.486   7.568  -4.963
   40    H    ASN   7           H        ASN   7  -2.120   8.104  -9.855
   41    HA   ASN   7           HA       ASN   7  -3.813   5.835  -9.693
   42   1HB   ASN   7          1HB       ASN   7  -4.139   8.281 -10.776
   43   2HB   ASN   7          2HB       ASN   7  -3.738   7.397 -12.254
   44   1HD2  ASN   7          2HD2      ASN   7  -7.363   6.889 -10.447
   45   2HD2  ASN   7          1HD2      ASN   7  -6.210   8.032  -9.841
   46    H    CYS   8           H        CYS   8  -1.173   6.605 -11.958
   47    HA   CYS   8           HA       CYS   8  -1.360   4.248 -13.569
   48   1HB   CYS   8          1HB       CYS   8  -0.267   6.401 -14.246
   49   2HB   CYS   8          2HB       CYS   8   0.959   6.155 -12.991
   50    HG   CYS   8           HG       CYS   8   1.580   3.673 -13.981
   51    H    LYS   9           H        LYS   9   0.008   4.793 -10.333
   52    HA   LYS   9           HA       LYS   9   1.918   2.601 -10.592
   53   1HB   LYS   9          1HB       LYS   9   0.816   4.147  -8.214
   54   2HB   LYS   9          2HB       LYS   9   1.840   2.727  -7.995
   55   1HG   LYS   9          1HG       LYS   9   2.714   4.928  -9.842
   56   2HG   LYS   9          2HG       LYS   9   2.949   5.095  -8.109
   57   1HD   LYS   9          1HD       LYS   9   4.298   3.087  -8.017
   58   2HD   LYS   9          2HD       LYS   9   3.941   2.659  -9.683
   59   1HE   LYS   9          1HE       LYS   9   5.332   5.255  -8.902
   60   2HE   LYS   9          2HE       LYS   9   6.187   3.739  -9.214
   61   1HZ   LYS   9          2HZ       LYS   9   4.432   5.084 -11.176
   62   2HZ   LYS   9          3HZ       LYS   9   6.067   5.120 -11.172
   63   3HZ   LYS   9          1HZ       LYS   9   5.293   3.689 -11.416
   64    H    ILE  10           H        ILE  10  -1.478   2.870  -9.357
   65    HA   ILE  10           HA       ILE  10  -1.279   0.131  -8.433
   66    HB   ILE  10           HB       ILE  10  -3.886   1.581  -8.714
   67   1HG1  ILE  10          1HG1      ILE  10  -2.638   1.991  -6.050
   68   2HG1  ILE  10          2HG1      ILE  10  -1.815   2.885  -7.300
   69   1HG2  ILE  10          3HG2      ILE  10  -2.673  -0.397  -6.719
   70   2HG2  ILE  10          1HG2      ILE  10  -4.253   0.360  -6.528
   71   3HG2  ILE  10          2HG2      ILE  10  -3.941  -0.718  -7.920
   72   1HD1  ILE  10          3HD1      ILE  10  -4.804   2.981  -6.823
   73   2HD1  ILE  10          1HD1      ILE  10  -3.615   4.220  -6.350
   74   3HD1  ILE  10          2HD1      ILE  10  -3.909   3.890  -8.070
   75    H    GLN  11           H        GLN  11  -1.995  -1.708  -9.460
   76    HA   GLN  11           HA       GLN  11  -3.471  -1.401 -12.025
   77   1HB   GLN  11          1HB       GLN  11  -1.209  -3.289 -11.285
   78   2HB   GLN  11          2HB       GLN  11  -2.435  -3.735 -12.453
   79   1HG   GLN  11          1HG       GLN  11  -0.639  -2.996 -13.703
   80   2HG   GLN  11          2HG       GLN  11  -1.867  -1.731 -13.808
   81   1HE2  GLN  11          2HE2      GLN  11   0.229   0.767 -12.385
   82   2HE2  GLN  11          1HE2      GLN  11  -1.358   0.370 -12.961
   83    HA   PRO  12           HA       PRO  12  -6.267  -4.266  -9.905
   84   1HB   PRO  12          1HB       PRO  12  -7.669  -5.270 -12.021
   85   2HB   PRO  12          2HB       PRO  12  -7.857  -3.592 -11.431
   86   1HG   PRO  12          1HG       PRO  12  -6.193  -4.575 -13.767
   87   2HG   PRO  12          2HG       PRO  12  -7.328  -3.190 -13.720
   88   1HD   PRO  12          1HD       PRO  12  -4.611  -2.916 -13.386
   89   2HD   PRO  12          2HD       PRO  12  -5.790  -1.845 -12.578
   90    H    GLY  13           H        GLY  13  -4.185  -5.343  -9.370
   91   1HA   GLY  13          1HA       GLY  13  -4.265  -7.991  -9.194
   92   2HA   GLY  13          2HA       GLY  13  -3.581  -7.788 -10.789
   93    H    LYS  14           H        LYS  14  -2.601  -5.329  -8.472
   94    HA   LYS  14           HA       LYS  14  -0.022  -6.761  -7.960
   95   1HB   LYS  14          1HB       LYS  14  -0.585  -4.251  -9.503
   96   2HB   LYS  14          2HB       LYS  14   0.658  -4.080  -8.273
   97   1HG   LYS  14          1HG       LYS  14   1.966  -5.887  -9.166
   98   2HG   LYS  14          2HG       LYS  14   0.690  -6.324 -10.305
   99   1HD   LYS  14          1HD       LYS  14   2.271  -5.180 -11.581
  100   2HD   LYS  14          2HD       LYS  14   0.967  -4.025 -11.356
  101   1HE   LYS  14          1HE       LYS  14   2.300  -2.991  -9.467
  102   2HE   LYS  14          2HE       LYS  14   3.597  -4.156  -9.802
  103   1HZ   LYS  14          3HZ       LYS  14   3.751  -3.179 -12.052
  104   2HZ   LYS  14          1HZ       LYS  14   2.615  -2.071 -11.655
  105   3HZ   LYS  14          2HZ       LYS  14   4.092  -2.121 -10.873
  106    H    VAL  15           H        VAL  15   1.225  -5.453  -6.193
  107    HA   VAL  15           HA       VAL  15  -0.726  -4.516  -4.180
  108    HB   VAL  15           HB       VAL  15   1.951  -5.858  -3.730
  109   1HG1  VAL  15          1HG1      VAL  15  -0.397  -5.018  -2.038
  110   2HG1  VAL  15          2HG1      VAL  15   0.813  -6.165  -1.414
  111   3HG1  VAL  15          3HG1      VAL  15   1.260  -4.505  -1.849
  112   1HG2  VAL  15          1HG2      VAL  15  -0.779  -7.169  -3.761
  113   2HG2  VAL  15          2HG2      VAL  15   0.623  -7.563  -4.769
  114   3HG2  VAL  15          3HG2      VAL  15   0.694  -7.879  -3.047
  115    H    VAL  16           H        VAL  16  -0.571  -2.321  -4.043
  116    HA   VAL  16           HA       VAL  16   2.088  -1.060  -4.552
  117    HB   VAL  16           HB       VAL  16  -0.688  -0.243  -5.502
  118   1HG1  VAL  16          2HG1      VAL  16   0.779   1.710  -4.990
  119   2HG1  VAL  16          3HG1      VAL  16   2.010   1.029  -6.080
  120   3HG1  VAL  16          1HG1      VAL  16   0.418   1.537  -6.706
  121   1HG2  VAL  16          3HG2      VAL  16   1.712  -1.565  -6.824
  122   2HG2  VAL  16          1HG2      VAL  16   0.016  -2.093  -6.826
  123   3HG2  VAL  16          2HG2      VAL  16   0.516  -0.689  -7.771
  124    H    VAL  17           H        VAL  17   2.766   0.168  -2.922
  125    HA   VAL  17           HA       VAL  17   0.760   0.963  -0.888
  126    HB   VAL  17           HB       VAL  17   3.573  -0.036  -0.379
  127   1HG1  VAL  17          3HG1      VAL  17   1.162   0.450   1.428
  128   2HG1  VAL  17          1HG1      VAL  17   2.712  -0.252   1.960
  129   3HG1  VAL  17          2HG1      VAL  17   2.646   1.411   1.377
  130   1HG2  VAL  17          3HG2      VAL  17   0.978  -1.621  -0.285
  131   2HG2  VAL  17          1HG2      VAL  17   2.405  -1.934  -1.294
  132   3HG2  VAL  17          2HG2      VAL  17   2.523  -2.131   0.446
  133    H    PHE  18           H        PHE  18   0.674   3.094  -0.735
  134    HA   PHE  18           HA       PHE  18   2.890   4.733  -1.825
  135   1HB   PHE  18          1HB       PHE  18   0.148   5.455  -0.667
  136   2HB   PHE  18          2HB       PHE  18   1.264   6.637  -1.337
  137    HD1  PHE  18          1HD       PHE  18   2.194   6.172  -3.743
  138    HD2  PHE  18          2HD       PHE  18  -1.373   4.336  -2.141
  139    HE1  PHE  18          1HE       PHE  18   1.477   5.550  -6.033
  140    HE2  PHE  18          2HE       PHE  18  -2.106   3.772  -4.437
  141    HZ   PHE  18           HZ       PHE  18  -0.665   4.388  -6.383
  142    H    ILE  19           H        ILE  19   4.547   5.419  -0.561
  143    HA   ILE  19           HA       ILE  19   4.217   5.452   2.397
  144    HB   ILE  19           HB       ILE  19   6.471   4.423   2.517
  145   1HG1  ILE  19          1HG1      ILE  19   6.439   3.498  -0.338
  146   2HG1  ILE  19          2HG1      ILE  19   7.006   5.129  -0.036
  147   1HG2  ILE  19          2HG2      ILE  19   4.509   2.965   2.667
  148   2HG2  ILE  19          3HG2      ILE  19   4.554   2.703   0.911
  149   3HG2  ILE  19          1HG2      ILE  19   5.882   2.139   1.928
  150   1HD1  ILE  19          3HD1      ILE  19   8.161   2.716   1.376
  151   2HD1  ILE  19          1HD1      ILE  19   8.851   3.519  -0.048
  152   3HD1  ILE  19          2HD1      ILE  19   8.714   4.399   1.490
  153    H    LYS  20           H        LYS  20   6.098   6.499   3.469
  154    HA   LYS  20           HA       LYS  20   7.537   8.438   1.791
  155   1HB   LYS  20          1HB       LYS  20   7.520  10.014   3.823
  156   2HB   LYS  20          2HB       LYS  20   6.098   9.977   2.765
  157   1HG   LYS  20          1HG       LYS  20   4.913   8.567   4.398
  158   2HG   LYS  20          2HG       LYS  20   6.343   8.536   5.423
  159   1HD   LYS  20          1HD       LYS  20   4.672  10.104   6.249
  160   2HD   LYS  20          2HD       LYS  20   6.177  10.912   5.859
  161   1HE   LYS  20          1HE       LYS  20   5.246  11.855   3.811
  162   2HE   LYS  20          2HE       LYS  20   3.757  10.917   4.015
  163   1HZ   LYS  20          3HZ       LYS  20   3.398  12.128   6.101
  164   2HZ   LYS  20          1HZ       LYS  20   4.683  13.107   5.767
  165   3HZ   LYS  20          2HZ       LYS  20   3.361  13.094   4.797
  166    HA   PRO  21           HA       PRO  21  10.617   6.015   3.605
  167   1HB   PRO  21          1HB       PRO  21  12.918   7.413   3.109
  168   2HB   PRO  21          2HB       PRO  21  11.917   6.728   1.804
  169   1HG   PRO  21          1HG       PRO  21  11.880   9.576   2.852
  170   2HG   PRO  21          2HG       PRO  21  11.985   9.027   1.148
  171   1HD   PRO  21          1HD       PRO  21   9.615   9.742   2.313
  172   2HD   PRO  21          2HD       PRO  21   9.702   8.418   1.112
  173    H    THR  22           H        THR  22   9.804   9.055   4.993
  174    HA   THR  22           HA       THR  22  11.830   9.379   6.982
  175    HB   THR  22           HB       THR  22  10.009  11.087   7.708
  176    HG1  THR  22           HG1      THR  22   8.219  10.140   6.828
  177   1HG2  THR  22          2HG2      THR  22  11.072  11.230   4.850
  178   2HG2  THR  22          3HG2      THR  22  10.373  12.583   5.762
  179   3HG2  THR  22          1HG2      THR  22  11.853  11.825   6.337
  180    H    CYS  23           H        CSN  23   8.904   7.425   6.822
  181    HA   CYS  23           HA       CSN  23   8.470   7.802   9.707
  182   1HB   CYS  23          2HB       CSN  23   6.629   7.448   7.351
  183   2HB   CYS  23          3HB       CSN  23   6.070   7.512   9.000
  184    HA   PRO  24           HA       PRO  24   9.047   3.533  10.323
  185   1HB   PRO  24          1HB       PRO  24   8.190   3.244  12.902
  186   2HB   PRO  24          2HB       PRO  24   9.643   4.190  12.454
  187   1HG   PRO  24          1HG       PRO  24   6.832   5.228  12.963
  188   2HG   PRO  24          2HG       PRO  24   8.379   5.819  13.660
  189   1HD   PRO  24          1HD       PRO  24   7.233   6.987  11.484
  190   2HD   PRO  24          2HD       PRO  24   9.008   6.848  11.651
  191    H    TYR  25           H        TYR  25   5.822   4.921  10.301
  192    HA   TYR  25           HA       TYR  25   4.403   2.438  10.722
  193   1HB   TYR  25          1HB       TYR  25   3.567   5.021   9.314
  194   2HB   TYR  25          2HB       TYR  25   2.482   3.700   9.750
  195    HD1  TYR  25          1HD       TYR  25   2.296   3.000  12.226
  196    HD2  TYR  25          2HD       TYR  25   4.135   6.707  10.947
  197    HE1  TYR  25          1HE       TYR  25   2.279   3.801  14.541
  198    HE2  TYR  25          2HE       TYR  25   4.144   7.507  13.253
  199    HH   TYR  25           HH       TYR  25   2.753   5.571  15.945
  200    H    CYS  26           H        CYS  26   5.792   4.127   7.894
  201    HA   CYS  26           HA       CYS  26   4.783   2.262   5.920
  202   1HB   CYS  26          1HB       CYS  26   7.087   4.290   5.981
  203   2HB   CYS  26          2HB       CYS  26   6.722   3.261   4.589
  204    HG   CYS  26           HG       CYS  26   4.230   3.905   4.343
  205    H    ARG  27           H        ARG  27   7.859   2.600   7.768
  206    HA   ARG  27           HA       ARG  27   9.202   0.304   6.885
  207   1HB   ARG  27          1HB       ARG  27  10.076   2.125   8.327
  208   2HB   ARG  27          2HB       ARG  27   9.274   1.338   9.710
  209   1HG   ARG  27          1HG       ARG  27  10.470  -0.772   9.120
  210   2HG   ARG  27          2HG       ARG  27  11.347   0.069   7.865
  211   1HD   ARG  27          1HD       ARG  27  11.430   1.192  10.683
  212   2HD   ARG  27          2HD       ARG  27  12.403  -0.220  10.282
  213    HE   ARG  27           HE       ARG  27  13.728   0.957   8.861
  214   1HH1  ARG  27          2HH2      ARG  27  11.332   3.201  10.259
  215   2HH1  ARG  27          1HH2      ARG  27  11.944   4.568   9.365
  216   1HH2  ARG  27          2HH1      ARG  27  14.597   2.832   7.868
  217   2HH2  ARG  27          1HH1      ARG  27  13.760   4.369   8.025
  218    H    ARG  28           H        ARG  28   6.873   0.351   9.676
  219    HA   ARG  28           HA       ARG  28   7.094  -2.441  10.174
  220   1HB   ARG  28          1HB       ARG  28   5.806  -0.863  11.639
  221   2HB   ARG  28          2HB       ARG  28   4.550  -0.766  10.447
  222   1HG   ARG  28          1HG       ARG  28   3.567  -2.663  11.227
  223   2HG   ARG  28          2HG       ARG  28   4.980  -3.585  10.856
  224   1HD   ARG  28          1HD       ARG  28   5.709  -2.283  13.269
  225   2HD   ARG  28          2HD       ARG  28   4.001  -2.647  13.480
  226    HE   ARG  28           HE       ARG  28   4.429  -4.889  13.522
  227   1HH1  ARG  28          2HH2      ARG  28   7.518  -3.198  13.074
  228   2HH1  ARG  28          1HH2      ARG  28   8.369  -4.564  12.416
  229   1HH2  ARG  28          2HH1      ARG  28   5.729  -6.866  13.028
  230   2HH2  ARG  28          1HH1      ARG  28   7.331  -6.635  12.398
  231    H    ALA  29           H        ALA  29   4.675  -0.707   8.244
  232    HA   ALA  29           HA       ALA  29   3.342  -2.978   7.285
  233   1HB   ALA  29          3HB       ALA  29   3.772  -0.284   5.925
  234   2HB   ALA  29          1HB       ALA  29   2.627  -1.504   5.343
  235   3HB   ALA  29          2HB       ALA  29   2.390  -0.759   6.934
  236    H    GLN  30           H        GLN  30   6.327  -1.438   5.822
  237    HA   GLN  30           HA       GLN  30   6.513  -3.043   3.658
  238   1HB   GLN  30          1HB       GLN  30   8.187  -1.210   5.199
  239   2HB   GLN  30          2HB       GLN  30   9.153  -2.635   4.893
  240   1HG   GLN  30          1HG       GLN  30   9.436  -2.073   2.721
  241   2HG   GLN  30          2HG       GLN  30   7.688  -1.966   2.539
  242   1HE2  GLN  30          2HE2      GLN  30   9.847   1.473   3.328
  243   2HE2  GLN  30          1HE2      GLN  30  10.625  -0.106   3.327
  244    H    GLU  31           H        GLU  31   7.669  -3.817   6.957
  245    HA   GLU  31           HA       GLU  31   8.878  -6.262   5.909
  246   1HB   GLU  31          1HB       GLU  31   9.193  -6.980   8.242
  247   2HB   GLU  31          2HB       GLU  31   9.953  -5.440   7.868
  248   1HG   GLU  31          1HG       GLU  31   8.416  -4.201   9.168
  249   2HG   GLU  31          2HG       GLU  31   7.260  -5.532   9.257
  250    H    ILE  32           H        ILE  32   5.994  -5.459   7.801
  251    HA   ILE  32           HA       ILE  32   4.803  -7.929   8.113
  252    HB   ILE  32           HB       ILE  32   3.891  -5.086   7.822
  253   1HG1  ILE  32          1HG1      ILE  32   3.692  -7.217  10.008
  254   2HG1  ILE  32          2HG1      ILE  32   4.810  -5.852   9.949
  255   1HG2  ILE  32          3HG2      ILE  32   1.891  -7.323   7.991
  256   2HG2  ILE  32          1HG2      ILE  32   1.547  -5.581   8.213
  257   3HG2  ILE  32          2HG2      ILE  32   2.084  -6.153   6.658
  258   1HD1  ILE  32          2HD1      ILE  32   2.718  -4.340  10.005
  259   2HD1  ILE  32          3HD1      ILE  32   1.812  -5.802  10.449
  260   3HD1  ILE  32          1HD1      ILE  32   3.116  -5.235  11.498
  261    H    LEU  33           H        LEU  33   4.467  -5.714   5.291
  262    HA   LEU  33           HA       LEU  33   2.734  -7.624   4.055
  263   1HB   LEU  33          1HB       LEU  33   3.889  -5.015   3.191
  264   2HB   LEU  33          2HB       LEU  33   3.753  -6.156   1.879
  265    HG   LEU  33           HG       LEU  33   1.425  -5.401   3.687
  266   1HD1  LEU  33          2HD1      LEU  33   2.158  -4.508   0.878
  267   2HD1  LEU  33          3HD1      LEU  33   0.644  -4.148   1.714
  268   3HD1  LEU  33          1HD1      LEU  33   2.171  -3.514   2.355
  269   1HD2  LEU  33          2HD2      LEU  33   1.503  -6.948   1.037
  270   2HD2  LEU  33          3HD2      LEU  33   1.170  -7.675   2.605
  271   3HD2  LEU  33          1HD2      LEU  33   0.046  -6.489   1.930
  272    H    SER  34           H        SER  34   6.264  -6.725   3.655
  273    HA   SER  34           HA       SER  34   6.634  -8.464   1.478
  274   1HB   SER  34          1HB       SER  34   9.000  -8.201   1.855
  275   2HB   SER  34          2HB       SER  34   8.177  -6.661   2.129
  276    HG   SER  34           HG       SER  34   8.125  -7.494   4.444
  277    H    GLN  35           H        GLN  35   6.285  -9.390   4.885
  278    HA   GLN  35           HA       GLN  35   8.030 -11.668   4.796
  279   1HB   GLN  35          1HB       GLN  35   5.594 -11.234   6.595
  280   2HB   GLN  35          2HB       GLN  35   6.860 -12.435   6.815
  281   1HG   GLN  35          1HG       GLN  35   8.325 -10.077   6.760
  282   2HG   GLN  35          2HG       GLN  35   6.806  -9.585   7.529
  283   1HE2  GLN  35          2HE2      GLN  35   9.468 -11.445   9.828
  284   2HE2  GLN  35          1HE2      GLN  35   9.838 -10.684   8.294
  285    H    LEU  36           H        LEU  36   4.631 -11.179   3.921
  286    HA   LEU  36           HA       LEU  36   3.955 -13.977   3.676
  287   1HB   LEU  36          1HB       LEU  36   2.763 -11.486   2.379
  288   2HB   LEU  36          2HB       LEU  36   2.045 -13.096   2.380
  289    HG   LEU  36           HG       LEU  36   2.511 -11.333   4.832
  290   1HD1  LEU  36          1HD1      LEU  36  -0.026 -12.172   3.375
  291   2HD1  LEU  36          2HD1      LEU  36   0.032 -11.294   4.919
  292   3HD1  LEU  36          3HD1      LEU  36   0.688 -10.542   3.457
  293   1HD2  LEU  36          3HD2      LEU  36   1.267 -14.112   4.627
  294   2HD2  LEU  36          1HD2      LEU  36   2.734 -13.648   5.524
  295   3HD2  LEU  36          2HD2      LEU  36   1.177 -13.048   6.059
  296    HA   PRO  37           HA       PRO  37   6.463 -14.378   0.007
  297   1HB   PRO  37          1HB       PRO  37   5.757 -16.852  -0.889
  298   2HB   PRO  37          2HB       PRO  37   6.609 -16.600   0.660
  299   1HG   PRO  37          1HG       PRO  37   3.629 -16.993   0.234
  300   2HG   PRO  37          2HG       PRO  37   4.702 -17.808   1.421
  301   1HD   PRO  37          1HD       PRO  37   3.162 -15.634   2.065
  302   2HD   PRO  37          2HD       PRO  37   4.758 -15.928   2.813
  303    H    ILE  38           H        ILE  38   5.323 -12.519  -0.967
  304    HA   ILE  38           HA       ILE  38   2.863 -13.009  -2.536
  305    HB   ILE  38           HB       ILE  38   4.563 -10.628  -1.636
  306   1HG1  ILE  38          1HG1      ILE  38   1.551 -11.141  -1.439
  307   2HG1  ILE  38          2HG1      ILE  38   2.701 -11.787  -0.280
  308   1HG2  ILE  38          1HG2      ILE  38   2.325 -10.440  -3.723
  309   2HG2  ILE  38          2HG2      ILE  38   3.028  -9.070  -2.862
  310   3HG2  ILE  38          3HG2      ILE  38   4.031  -9.996  -3.951
  311   1HD1  ILE  38          1HD1      ILE  38   3.572  -9.439   0.086
  312   2HD1  ILE  38          2HD1      ILE  38   2.086  -8.884  -0.744
  313   3HD1  ILE  38          3HD1      ILE  38   2.005  -9.823   0.754
  314    H    LYS  39           H        LYS  39   2.863 -13.001  -4.824
  315    HA   LYS  39           HA       LYS  39   4.983 -14.020  -6.078
  316   1HB   LYS  39          1HB       LYS  39   2.578 -12.663  -7.114
  317   2HB   LYS  39          2HB       LYS  39   3.920 -12.816  -8.252
  318   1HG   LYS  39          1HG       LYS  39   3.397 -15.324  -6.754
  319   2HG   LYS  39          2HG       LYS  39   2.007 -14.777  -7.673
  320   1HD   LYS  39          1HD       LYS  39   4.763 -15.085  -8.910
  321   2HD   LYS  39          2HD       LYS  39   3.562 -16.389  -8.813
  322   1HE   LYS  39          1HE       LYS  39   1.894 -14.957  -9.970
  323   2HE   LYS  39          2HE       LYS  39   3.114 -13.688 -10.190
  324   1HZ   LYS  39          1HZ       LYS  39   3.439 -16.439 -11.209
  325   2HZ   LYS  39          2HZ       LYS  39   2.707 -15.280 -12.083
  326   3HZ   LYS  39          3HZ       LYS  39   4.304 -15.114 -11.659
  327    H    GLN  40           H        GLN  40   6.981 -13.316  -6.700
  328    HA   GLN  40           HA       GLN  40   7.758 -10.785  -5.800
  329   1HB   GLN  40          1HB       GLN  40   9.140 -13.032  -6.222
  330   2HB   GLN  40          2HB       GLN  40   9.523 -12.250  -7.756
  331   1HG   GLN  40          1HG       GLN  40  11.257 -11.633  -6.268
  332   2HG   GLN  40          2HG       GLN  40  10.246 -10.195  -6.402
  333   1HE2  GLN  40          2HE2      GLN  40  11.014 -10.627  -2.798
  334   2HE2  GLN  40          1HE2      GLN  40  11.659  -9.872  -4.268
  335    H    GLY  41           H        GLY  41   7.563  -8.845  -6.690
  336   1HA   GLY  41          1HA       GLY  41   8.025  -7.300  -8.509
  337   2HA   GLY  41          2HA       GLY  41   7.444  -8.509  -9.659
  338    H    LEU  42           H        LEU  42   5.245  -8.961  -7.140
  339    HA   LEU  42           HA       LEU  42   3.340  -7.161  -8.354
  340   1HB   LEU  42          1HB       LEU  42   3.061  -8.910  -5.924
  341   2HB   LEU  42          2HB       LEU  42   1.840  -7.939  -6.678
  342    HG   LEU  42           HG       LEU  42   3.102 -10.443  -7.797
  343   1HD1  LEU  42          1HD1      LEU  42   1.230 -10.536  -6.144
  344   2HD1  LEU  42          2HD1      LEU  42   0.239  -9.581  -7.269
  345   3HD1  LEU  42          3HD1      LEU  42   0.780 -11.201  -7.740
  346   1HD2  LEU  42          3HD2      LEU  42   1.254  -8.547  -9.278
  347   2HD2  LEU  42          1HD2      LEU  42   2.941  -8.970  -9.707
  348   3HD2  LEU  42          2HD2      LEU  42   1.669 -10.204  -9.773
  349    H    LEU  43           H        LEU  43   5.487  -7.167  -5.465
  350    HA   LEU  43           HA       LEU  43   3.859  -5.124  -4.173
  351   1HB   LEU  43          1HB       LEU  43   5.323  -7.209  -3.141
  352   2HB   LEU  43          2HB       LEU  43   6.456  -5.900  -2.977
  353    HG   LEU  43           HG       LEU  43   5.492  -5.788  -0.931
  354   1HD1  LEU  43          1HD1      LEU  43   4.933  -3.559  -1.885
  355   2HD1  LEU  43          2HD1      LEU  43   3.342  -4.147  -2.373
  356   3HD1  LEU  43          3HD1      LEU  43   3.782  -4.065  -0.657
  357   1HD2  LEU  43          3HD2      LEU  43   2.961  -6.874  -2.138
  358   2HD2  LEU  43          1HD2      LEU  43   4.130  -7.631  -1.061
  359   3HD2  LEU  43          2HD2      LEU  43   3.096  -6.338  -0.439
  360    H    GLU  44           H        GLU  44   4.178  -2.979  -4.565
  361    HA   GLU  44           HA       GLU  44   7.001  -2.061  -4.780
  362   1HB   GLU  44          1HB       GLU  44   5.886  -1.955  -7.022
  363   2HB   GLU  44          2HB       GLU  44   4.743  -0.774  -6.340
  364   1HG   GLU  44          1HG       GLU  44   6.681   0.655  -5.657
  365   2HG   GLU  44          2HG       GLU  44   7.797  -0.531  -6.321
  366    H    PHE  45           H        PHE  45   7.520  -0.555  -3.364
  367    HA   PHE  45           HA       PHE  45   5.426   0.724  -1.699
  368   1HB   PHE  45          1HB       PHE  45   8.366   0.196  -1.128
  369   2HB   PHE  45          2HB       PHE  45   7.255   1.079  -0.084
  370    HD1  PHE  45          1HD       PHE  45   5.333  -0.076   1.014
  371    HD2  PHE  45          2HD       PHE  45   8.324  -2.266  -1.188
  372    HE1  PHE  45          1HE       PHE  45   4.539  -2.182   2.042
  373    HE2  PHE  45          2HE       PHE  45   7.547  -4.372  -0.135
  374    HZ   PHE  45           HZ       PHE  45   5.653  -4.344   1.474
  375    H    VAL  46           H        VAL  46   4.919   2.591  -2.680
  376    HA   VAL  46           HA       VAL  46   6.709   3.833  -4.621
  377    HB   VAL  46           HB       VAL  46   3.820   4.461  -3.892
  378   1HG1  VAL  46          3HG1      VAL  46   5.067   6.192  -5.195
  379   2HG1  VAL  46          1HG1      VAL  46   5.415   4.973  -6.437
  380   3HG1  VAL  46          2HG1      VAL  46   3.741   5.479  -6.101
  381   1HG2  VAL  46          2HG2      VAL  46   4.860   2.448  -5.905
  382   2HG2  VAL  46          3HG2      VAL  46   3.798   2.137  -4.519
  383   3HG2  VAL  46          1HG2      VAL  46   3.195   3.089  -5.874
  384    H    ASP  47           H        ASP  47   8.041   5.438  -3.893
  385    HA   ASP  47           HA       ASP  47   7.689   6.771  -1.371
  386   1HB   ASP  47          1HB       ASP  47   9.835   6.232  -2.581
  387   2HB   ASP  47          2HB       ASP  47   9.502   7.560  -3.689
  388    H    ILE  48           H        ILE  48   6.021   8.227  -1.096
  389    HA   ILE  48           HA       ILE  48   5.157   9.954  -3.304
  390    HB   ILE  48           HB       ILE  48   3.388  10.725  -1.905
  391   1HG1  ILE  48          1HG1      ILE  48   3.954   8.628   0.182
  392   2HG1  ILE  48          2HG1      ILE  48   4.575  10.267   0.371
  393   1HG2  ILE  48          1HG2      ILE  48   3.166   8.759  -3.388
  394   2HG2  ILE  48          2HG2      ILE  48   3.659   7.679  -2.067
  395   3HG2  ILE  48          3HG2      ILE  48   2.139   8.579  -1.957
  396   1HD1  ILE  48          1HD1      ILE  48   2.098  11.010   0.052
  397   2HD1  ILE  48          2HD1      ILE  48   1.692   9.299   0.229
  398   3HD1  ILE  48          3HD1      ILE  48   2.506  10.168   1.548
  399    H    THR  49           H        THR  49   7.887  10.297  -1.697
  400    HA   THR  49           HA       THR  49   7.504  13.224  -1.209
  401    HB   THR  49           HB       THR  49   9.272  13.148   0.369
  402    HG1  THR  49           HG1      THR  49   9.646  10.452  -0.438
  403   1HG2  THR  49          2HG2      THR  49   7.007  12.461   1.176
  404   2HG2  THR  49          3HG2      THR  49   7.498  10.767   1.006
  405   3HG2  THR  49          1HG2      THR  49   8.342  11.833   2.153
  406    H    ALA  50           H        ALA  50   9.667  10.751  -2.559
  407    HA   ALA  50           HA       ALA  50  11.827  12.291  -2.881
  408   1HB   ALA  50          2HB       ALA  50  11.744   9.814  -3.098
  409   2HB   ALA  50          3HB       ALA  50  11.135   9.993  -4.753
  410   3HB   ALA  50          1HB       ALA  50  12.740  10.589  -4.330
  411    H    THR  51           H        THR  51   9.576  11.761  -5.698
  412    HA   THR  51           HA       THR  51  10.700  14.322  -6.787
  413    HB   THR  51           HB       THR  51  10.366  13.361  -8.970
  414    HG1  THR  51           HG1      THR  51   9.507  11.457  -9.286
  415   1HG2  THR  51          3HG2      THR  51  12.535  12.905  -7.781
  416   2HG2  THR  51          1HG2      THR  51  11.885  11.332  -7.278
  417   3HG2  THR  51          2HG2      THR  51  12.112  11.690  -8.998
  418    H    ASN  52           H        ASN  52   8.070  13.489  -5.169
  419    HA   ASN  52           HA       ASN  52   6.165  14.981  -6.852
  420   1HB   ASN  52          1HB       ASN  52   4.486  13.287  -6.777
  421   2HB   ASN  52          2HB       ASN  52   5.945  12.551  -7.416
  422   1HD2  ASN  52          2HD2      ASN  52   6.407  10.335  -4.637
  423   2HD2  ASN  52          1HD2      ASN  52   7.239  11.110  -5.924
  424    H    HIS  53           H        HIS  53   3.926  14.202  -4.956
  425    HA   HIS  53           HA       HIS  53   4.625  16.317  -2.954
  426   1HB   HIS  53          1HB       HIS  53   2.431  16.312  -5.077
  427   2HB   HIS  53          2HB       HIS  53   2.454  17.359  -3.644
  428    HD1  HIS  53          1HD       HIS  53   4.540  19.140  -3.450
  429    HD2  HIS  53          2HD       HIS  53   4.123  16.946  -7.035
  430    HE1  HIS  53          1HE       HIS  53   6.145  20.190  -5.151
  431    H    THR  54           H        THR  54   4.651  14.495  -1.571
  432    HA   THR  54           HA       THR  54   2.777  12.716  -0.987
  433    HB   THR  54           HB       THR  54   4.375  12.393   0.509
  434    HG1  THR  54           HG1      THR  54   2.944  14.095   2.259
  435   1HG2  THR  54          3HG2      THR  54   4.501  15.291   1.165
  436   2HG2  THR  54          1HG2      THR  54   5.529  14.017   1.861
  437   3HG2  THR  54          2HG2      THR  54   5.639  14.371   0.119
  438    H    ASN  55           H        ASN  55   2.743  15.819   0.572
  439    HA   ASN  55           HA       ASN  55   0.313  15.842   1.828
  440   1HB   ASN  55          1HB       ASN  55   2.045  17.766   1.632
  441   2HB   ASN  55          2HB       ASN  55   1.057  18.341   0.286
  442   1HD2  ASN  55          2HD2      ASN  55  -0.086  19.055   4.094
  443   2HD2  ASN  55          1HD2      ASN  55   1.515  18.531   3.610
  444    H    GLU  56           H        GLU  56   0.559  16.824  -1.735
  445    HA   GLU  56           HA       GLU  56  -2.151  17.091  -2.137
  446   1HB   GLU  56          1HB       GLU  56   0.240  17.495  -3.454
  447   2HB   GLU  56          2HB       GLU  56  -0.286  16.036  -4.277
  448   1HG   GLU  56          1HG       GLU  56  -2.507  17.841  -4.055
  449   2HG   GLU  56          2HG       GLU  56  -1.090  18.778  -4.553
  450    H    ILE  57           H        ILE  57   0.001  14.279  -2.632
  451    HA   ILE  57           HA       ILE  57  -2.018  12.542  -3.627
  452    HB   ILE  57           HB       ILE  57   0.832  12.366  -2.722
  453   1HG1  ILE  57          1HG1      ILE  57  -0.595  11.271  -5.183
  454   2HG1  ILE  57          2HG1      ILE  57  -0.178  12.968  -5.003
  455   1HG2  ILE  57          3HG2      ILE  57  -0.908   9.900  -2.913
  456   2HG2  ILE  57          1HG2      ILE  57   0.836   9.875  -3.200
  457   3HG2  ILE  57          2HG2      ILE  57   0.213  10.379  -1.623
  458   1HD1  ILE  57          1HD1      ILE  57   1.933  10.805  -4.856
  459   2HD1  ILE  57          2HD1      ILE  57   1.494  11.692  -6.323
  460   3HD1  ILE  57          3HD1      ILE  57   2.126  12.578  -4.925
  461    H    GLN  58           H        GLN  58  -1.032  13.339  -0.347
  462    HA   GLN  58           HA       GLN  58  -2.094  11.027   0.973
  463   1HB   GLN  58          1HB       GLN  58  -1.131  13.792   1.833
  464   2HB   GLN  58          2HB       GLN  58  -2.120  12.843   2.933
  465   1HG   GLN  58          1HG       GLN  58  -0.418  10.895   2.515
  466   2HG   GLN  58          2HG       GLN  58   0.623  12.160   1.886
  467   1HE2  GLN  58          2HE2      GLN  58  -0.157  12.018   5.955
  468   2HE2  GLN  58          1HE2      GLN  58  -1.279  11.242   4.837
  469    H    ASP  59           H        ASP  59  -3.234  14.282   0.286
  470    HA   ASP  59           HA       ASP  59  -5.867  14.196   1.315
  471   1HB   ASP  59          1HB       ASP  59  -4.167  16.069   0.350
  472   2HB   ASP  59          2HB       ASP  59  -5.121  15.864  -1.093
  473    H    TYR  60           H        TYR  60  -4.599  13.875  -2.027
  474    HA   TYR  60           HA       TYR  60  -6.980  13.260  -3.347
  475   1HB   TYR  60          1HB       TYR  60  -4.925  13.722  -4.561
  476   2HB   TYR  60          2HB       TYR  60  -4.151  12.297  -3.870
  477    HD1  TYR  60          2HD       TYR  60  -7.512  12.807  -5.539
  478    HD2  TYR  60          1HD       TYR  60  -3.730  10.719  -5.549
  479    HE1  TYR  60          2HE       TYR  60  -8.289  11.438  -7.395
  480    HE2  TYR  60          1HE       TYR  60  -4.509   9.339  -7.464
  481    HH   TYR  60           HH       TYR  60  -7.690   9.909  -9.008
  482    H    LEU  61           H        LEU  61  -4.702  10.952  -1.818
  483    HA   LEU  61           HA       LEU  61  -6.268   8.617  -2.435
  484   1HB   LEU  61          1HB       LEU  61  -4.093   9.239  -0.447
  485   2HB   LEU  61          2HB       LEU  61  -4.863   7.652  -0.487
  486    HG   LEU  61           HG       LEU  61  -3.426   8.942  -2.864
  487   1HD1  LEU  61          3HD1      LEU  61  -2.436   6.829  -0.902
  488   2HD1  LEU  61          1HD1      LEU  61  -1.598   7.374  -2.377
  489   3HD1  LEU  61          2HD1      LEU  61  -1.845   8.509  -1.052
  490   1HD2  LEU  61          3HD2      LEU  61  -4.704   6.254  -2.361
  491   2HD2  LEU  61          1HD2      LEU  61  -4.906   7.376  -3.728
  492   3HD2  LEU  61          2HD2      LEU  61  -3.410   6.449  -3.568
  493    H    GLN  62           H        GLN  62  -6.351  10.908   0.358
  494    HA   GLN  62           HA       GLN  62  -8.246   9.371   1.880
  495   1HB   GLN  62          1HB       GLN  62  -7.016  11.240   2.856
  496   2HB   GLN  62          2HB       GLN  62  -7.760  12.394   1.783
  497   1HG   GLN  62          1HG       GLN  62  -9.740  12.430   2.835
  498   2HG   GLN  62          2HG       GLN  62  -9.719  10.723   3.278
  499   1HE2  GLN  62          2HE2      GLN  62  -8.943  11.405   6.598
  500   2HE2  GLN  62          1HE2      GLN  62  -9.625  10.328   5.409
  501    H    GLN  63           H        GLN  63  -8.568  11.897  -0.534
  502    HA   GLN  63           HA       GLN  63 -11.407  11.974  -0.646
  503   1HB   GLN  63          1HB       GLN  63  -9.453  13.374  -1.916
  504   2HB   GLN  63          2HB       GLN  63  -9.876  12.281  -3.220
  505   1HG   GLN  63          1HG       GLN  63 -12.389  13.086  -2.366
  506   2HG   GLN  63          2HG       GLN  63 -11.415  14.519  -2.020
  507   1HE2  GLN  63          2HE2      GLN  63 -12.457  13.613  -5.847
  508   2HE2  GLN  63          1HE2      GLN  63 -13.157  12.850  -4.431
  509    H    LEU  64           H        LEU  64  -9.113   9.956  -2.425
  510    HA   LEU  64           HA       LEU  64 -11.055   8.718  -4.153
  511   1HB   LEU  64          1HB       LEU  64  -8.811   8.896  -4.954
  512   2HB   LEU  64          2HB       LEU  64  -8.174   8.285  -3.448
  513    HG   LEU  64           HG       LEU  64  -9.199   5.968  -4.090
  514   1HD1  LEU  64          1HD1      LEU  64 -10.504   6.872  -6.033
  515   2HD1  LEU  64          2HD1      LEU  64  -8.966   7.312  -6.823
  516   3HD1  LEU  64          3HD1      LEU  64  -9.356   5.612  -6.494
  517   1HD2  LEU  64          1HD2      LEU  64  -6.801   7.167  -5.509
  518   2HD2  LEU  64          2HD2      LEU  64  -6.845   6.361  -3.921
  519   3HD2  LEU  64          3HD2      LEU  64  -7.175   5.426  -5.380
  520    H    THR  65           H        THR  65  -9.737   7.784  -0.925
  521    HA   THR  65           HA       THR  65 -11.625   5.489  -0.967
  522    HB   THR  65           HB       THR  65 -10.126   4.106   0.169
  523    HG1  THR  65           HG1      THR  65  -8.916   5.037   1.553
  524   1HG2  THR  65          3HG2      THR  65  -9.631   4.344  -2.271
  525   2HG2  THR  65          1HG2      THR  65  -8.382   5.560  -1.861
  526   3HG2  THR  65          2HG2      THR  65  -8.212   3.902  -1.302
  527    H    GLY  66           H        GLY  66  -9.701   7.135   1.553
  528   1HA   GLY  66          1HA       GLY  66 -11.735   8.647   2.726
  529   2HA   GLY  66          2HA       GLY  66 -11.953   7.050   3.400
  530    H    ALA  67           H        ALA  67  -8.599   7.116   3.188
  531    HA   ALA  67           HA       ALA  67  -8.314   8.636   5.759
  532   1HB   ALA  67          1HB       ALA  67  -8.212   6.212   6.175
  533   2HB   ALA  67          2HB       ALA  67  -6.885   6.076   4.992
  534   3HB   ALA  67          3HB       ALA  67  -6.669   7.016   6.481
  535    H    ARG  68           H        ARG  68  -6.461   9.797   6.035
  536    HA   ARG  68           HA       ARG  68  -4.901  10.443   3.598
  537   1HB   ARG  68          1HB       ARG  68  -4.497  12.508   4.473
  538   2HB   ARG  68          2HB       ARG  68  -6.080  12.160   5.128
  539   1HG   ARG  68          1HG       ARG  68  -4.709  11.333   7.266
  540   2HG   ARG  68          2HG       ARG  68  -3.403  12.254   6.518
  541   1HD   ARG  68          1HD       ARG  68  -4.350  13.917   7.808
  542   2HD   ARG  68          2HD       ARG  68  -5.263  14.135   6.329
  543    HE   ARG  68           HE       ARG  68  -6.241  12.447   8.577
  544   1HH1  ARG  68          2HH2      ARG  68  -6.940  15.114   6.348
  545   2HH1  ARG  68          1HH2      ARG  68  -8.297  15.717   7.220
  546   1HH2  ARG  68          2HH1      ARG  68  -8.082  13.162   9.746
  547   2HH2  ARG  68          1HH1      ARG  68  -9.049  14.467   9.157
  548    H    THR  69           H        THR  69  -4.524   8.892   6.771
  549    HA   THR  69           HA       THR  69  -1.775   9.362   7.186
  550    HB   THR  69           HB       THR  69  -1.991   7.173   8.518
  551    HG1  THR  69           HG1      THR  69  -3.763   6.451   7.160
  552   1HG2  THR  69          3HG2      THR  69  -4.012   9.394   9.052
  553   2HG2  THR  69          1HG2      THR  69  -3.459   8.191  10.239
  554   3HG2  THR  69          2HG2      THR  69  -2.317   9.370   9.572
  555    H    VAL  70           H        VAL  70   0.053   8.361   6.406
  556    HA   VAL  70           HA       VAL  70  -0.267   6.320   4.324
  557    HB   VAL  70           HB       VAL  70   2.420   6.722   4.401
  558   1HG1  VAL  70          2HG1      VAL  70   0.830   6.943   2.465
  559   2HG1  VAL  70          3HG1      VAL  70   0.581   8.645   2.973
  560   3HG1  VAL  70          1HG1      VAL  70   2.187   8.065   2.483
  561   1HG2  VAL  70          1HG2      VAL  70   1.235   9.467   5.165
  562   2HG2  VAL  70          2HG2      VAL  70   2.311   8.491   6.190
  563   3HG2  VAL  70          3HG2      VAL  70   2.863   9.149   4.638
  564    HA   PRO  71           HA       PRO  71   1.462   4.711   3.540
  565   1HB   PRO  71          1HB       PRO  71   1.185   1.974   3.386
  566   2HB   PRO  71          2HB       PRO  71   2.703   2.786   3.870
  567   1HG   PRO  71          1HG       PRO  71   0.556   1.639   5.673
  568   2HG   PRO  71          2HG       PRO  71   2.333   1.400   5.753
  569   1HD   PRO  71          1HD       PRO  71   1.095   3.233   7.303
  570   2HD   PRO  71          2HD       PRO  71   2.700   3.557   6.607
  571    H    ARG  72           H        ARG  72  -0.035   3.642   1.847
  572    HA   ARG  72           HA       ARG  72  -2.714   2.848   2.871
  573   1HB   ARG  72          1HB       ARG  72  -2.179   4.837   0.648
  574   2HB   ARG  72          2HB       ARG  72  -3.259   3.517   0.277
  575   1HG   ARG  72          1HG       ARG  72  -4.592   5.371   0.901
  576   2HG   ARG  72          2HG       ARG  72  -4.770   4.086   2.088
  577   1HD   ARG  72          1HD       ARG  72  -4.704   6.366   3.063
  578   2HD   ARG  72          2HD       ARG  72  -3.523   5.235   3.717
  579    HE   ARG  72           HE       ARG  72  -1.795   6.285   2.665
  580   1HH1  ARG  72          2HH2      ARG  72  -4.759   8.241   2.371
  581   2HH1  ARG  72          1HH2      ARG  72  -3.996   9.616   1.694
  582   1HH2  ARG  72          2HH1      ARG  72  -0.756   8.061   1.646
  583   2HH2  ARG  72          1HH1      ARG  72  -1.650   9.483   1.246
  584    H    VAL  73           H        VAL  73  -2.628   0.663   2.545
  585    HA   VAL  73           HA       VAL  73  -0.908  -0.400   0.365
  586    HB   VAL  73           HB       VAL  73  -2.497  -1.686   2.612
  587   1HG1  VAL  73          3HG1      VAL  73  -1.093  -3.024   0.239
  588   2HG1  VAL  73          1HG1      VAL  73  -1.677  -3.892   1.681
  589   3HG1  VAL  73          2HG1      VAL  73  -2.814  -3.106   0.613
  590   1HG2  VAL  73          3HG2      VAL  73   0.466  -1.706   2.006
  591   2HG2  VAL  73          1HG2      VAL  73  -0.343  -0.817   3.317
  592   3HG2  VAL  73          2HG2      VAL  73  -0.334  -2.584   3.306
  593    H    PHE  74           H        PHE  74  -1.772  -0.697  -1.567
  594    HA   PHE  74           HA       PHE  74  -4.680  -1.130  -1.859
  595   1HB   PHE  74          1HB       PHE  74  -2.644  -0.056  -3.842
  596   2HB   PHE  74          2HB       PHE  74  -4.174  -0.758  -4.323
  597    HD1  PHE  74          2HD       PHE  74  -2.714   1.988  -2.227
  598    HD2  PHE  74          1HD       PHE  74  -6.171   0.521  -4.349
  599    HE1  PHE  74          2HE       PHE  74  -3.878   4.152  -1.861
  600    HE2  PHE  74          1HE       PHE  74  -7.327   2.679  -3.972
  601    HZ   PHE  74           HZ       PHE  74  -6.190   4.487  -2.712
  602    H    ILE  75           H        ILE  75  -5.157  -3.206  -2.221
  603    HA   ILE  75           HA       ILE  75  -3.133  -4.975  -3.493
  604    HB   ILE  75           HB       ILE  75  -4.773  -5.469  -1.072
  605   1HG1  ILE  75          1HG1      ILE  75  -3.152  -7.501  -0.980
  606   2HG1  ILE  75          2HG1      ILE  75  -2.289  -6.662  -2.283
  607   1HG2  ILE  75          3HG2      ILE  75  -4.663  -7.499  -3.360
  608   2HG2  ILE  75          1HG2      ILE  75  -5.111  -7.928  -1.722
  609   3HG2  ILE  75          2HG2      ILE  75  -6.138  -6.831  -2.623
  610   1HD1  ILE  75          3HD1      ILE  75  -2.018  -4.784  -0.750
  611   2HD1  ILE  75          1HD1      ILE  75  -2.792  -5.749   0.549
  612   3HD1  ILE  75          2HD1      ILE  75  -1.263  -6.282  -0.166
  613    H    GLY  76           H        GLY  76  -3.714  -5.147  -5.571
  614   1HA   GLY  76          1HA       GLY  76  -4.955  -5.271  -7.486
  615   2HA   GLY  76          2HA       GLY  76  -6.177  -6.082  -6.502
  616    H    LYS  77           H        LYS  77  -4.957  -2.713  -6.988
  617    HA   LYS  77           HA       LYS  77  -5.929  -0.793  -6.719
  618   1HB   LYS  77          1HB       LYS  77  -6.310  -1.824  -9.174
  619   2HB   LYS  77          2HB       LYS  77  -7.982  -1.459  -8.788
  620   1HG   LYS  77          1HG       LYS  77  -6.125   0.743  -8.051
  621   2HG   LYS  77          2HG       LYS  77  -5.956   0.263  -9.728
  622   1HD   LYS  77          1HD       LYS  77  -8.317   0.758 -10.146
  623   2HD   LYS  77          2HD       LYS  77  -8.615   1.013  -8.419
  624   1HE   LYS  77          1HE       LYS  77  -6.967   2.922  -8.456
  625   2HE   LYS  77          2HE       LYS  77  -6.845   2.718 -10.215
  626   1HZ   LYS  77          2HZ       LYS  77  -9.302   3.061 -10.250
  627   2HZ   LYS  77          3HZ       LYS  77  -9.275   3.450  -8.687
  628   3HZ   LYS  77          1HZ       LYS  77  -8.485   4.408  -9.771
  629    H    ASP  78           H        ASP  78  -7.049  -2.470  -4.621
  630    HA   ASP  78           HA       ASP  78  -8.837  -0.237  -4.067
  631   1HB   ASP  78          1HB       ASP  78 -10.125  -2.633  -4.460
  632   2HB   ASP  78          2HB       ASP  78  -9.820  -2.678  -2.716
  633    H    CYS  79           H        CYS  79  -8.916   0.250  -1.774
  634    HA   CYS  79           HA       CYS  79  -6.181  -0.165  -0.728
  635   1HB   CYS  79          1HB       CYS  79  -7.173   2.138  -0.953
  636   2HB   CYS  79          2HB       CYS  79  -8.311   1.706   0.355
  637    HG   CYS  79           HG       CYS  79  -6.597   2.933   1.713
  638    H    ILE  80           H        ILE  80  -5.806  -1.520   1.033
  639    HA   ILE  80           HA       ILE  80  -8.101  -2.755   2.342
  640    HB   ILE  80           HB       ILE  80  -6.617  -4.277   3.177
  641   1HG1  ILE  80          1HG1      ILE  80  -4.016  -3.893   2.667
  642   2HG1  ILE  80          2HG1      ILE  80  -4.517  -2.201   2.769
  643   1HG2  ILE  80          1HG2      ILE  80  -6.962  -4.354   0.680
  644   2HG2  ILE  80          2HG2      ILE  80  -5.355  -3.632   0.494
  645   3HG2  ILE  80          3HG2      ILE  80  -5.523  -5.213   1.278
  646   1HD1  ILE  80          2HD1      ILE  80  -5.542  -2.879   5.087
  647   2HD1  ILE  80          3HD1      ILE  80  -4.601  -4.360   4.884
  648   3HD1  ILE  80          1HD1      ILE  80  -3.788  -2.777   4.933
  649    H    GLY  81           H        GLY  81  -5.840  -0.176   2.882
  650   1HA   GLY  81          1HA       GLY  81  -6.865   1.423   4.637
  651   2HA   GLY  81          2HA       GLY  81  -6.574   0.071   5.735
  652    H    GLY  82           H        GLY  82  -5.342   1.996   6.657
  653   1HA   GLY  82          1HA       GLY  82  -2.585   2.306   5.685
  654   2HA   GLY  82          2HA       GLY  82  -3.293   3.085   7.114
  655    H    CYS  83           H        CYS  83  -1.222   2.350   8.278
  656    HA   CYS  83           HA       CYS  83  -0.466  -0.412   8.262
  657   1HB   CYS  83          1HB       CYS  83   0.916   1.802   8.818
  658   2HB   CYS  83          2HB       CYS  83   0.376   1.471  10.468
  659    HG   CYS  83           HG       CYS  83   2.868   0.585   9.297
  660    H    SER  84           H        SER  84  -2.465   1.678  10.398
  661    HA   SER  84           HA       SER  84  -2.497  -0.212  12.483
  662   1HB   SER  84          1HB       SER  84  -4.577   1.046  13.228
  663   2HB   SER  84          2HB       SER  84  -3.076   1.968  13.091
  664    HG   SER  84           HG       SER  84  -5.183   2.763  12.168
  665    H    ASP  85           H        ASP  85  -4.622   0.264   9.701
  666    HA   ASP  85           HA       ASP  85  -6.482  -1.863  10.260
  667   1HB   ASP  85          1HB       ASP  85  -5.678  -0.256   7.825
  668   2HB   ASP  85          2HB       ASP  85  -6.681  -1.687   7.638
  669    H    LEU  86           H        LEU  86  -3.596  -1.628   8.145
  670    HA   LEU  86           HA       LEU  86  -3.541  -4.176   7.073
  671   1HB   LEU  86          1HB       LEU  86  -2.039  -2.275   6.432
  672   2HB   LEU  86          2HB       LEU  86  -1.182  -2.481   7.959
  673    HG   LEU  86           HG       LEU  86  -0.518  -4.810   7.226
  674   1HD1  LEU  86          2HD1      LEU  86  -1.716  -3.893   4.572
  675   2HD1  LEU  86          3HD1      LEU  86  -0.662  -5.303   4.790
  676   3HD1  LEU  86          1HD1      LEU  86  -2.247  -5.269   5.562
  677   1HD2  LEU  86          3HD2      LEU  86   0.323  -2.459   5.501
  678   2HD2  LEU  86          1HD2      LEU  86   0.992  -2.934   7.074
  679   3HD2  LEU  86          2HD2      LEU  86   1.218  -3.990   5.673
  680    H    VAL  87           H        VAL  87  -2.294  -3.151  10.300
  681    HA   VAL  87           HA       VAL  87  -1.017  -5.537  10.993
  682    HB   VAL  87           HB       VAL  87  -2.223  -3.149  12.376
  683   1HG1  VAL  87          1HG1      VAL  87  -1.260  -5.604  13.856
  684   2HG1  VAL  87          2HG1      VAL  87  -1.524  -3.985  14.567
  685   3HG1  VAL  87          3HG1      VAL  87  -2.890  -4.881  13.910
  686   1HG2  VAL  87          1HG2      VAL  87   0.081  -3.124  11.370
  687   2HG2  VAL  87          2HG2      VAL  87   0.077  -2.832  13.120
  688   3HG2  VAL  87          3HG2      VAL  87   0.544  -4.422  12.486
  689    H    SER  88           H        SER  88  -4.583  -4.680  11.294
  690    HA   SER  88           HA       SER  88  -5.256  -7.146  12.643
  691   1HB   SER  88          1HB       SER  88  -6.763  -5.071  11.099
  692   2HB   SER  88          2HB       SER  88  -7.361  -6.701  10.863
  693    HG   SER  88           HG       SER  88  -8.296  -5.542  12.612
  694    H    LEU  89           H        LEU  89  -5.047  -6.164   9.183
  695    HA   LEU  89           HA       LEU  89  -6.118  -8.657   8.282
  696   1HB   LEU  89          1HB       LEU  89  -4.476  -6.579   6.778
  697   2HB   LEU  89          2HB       LEU  89  -5.123  -8.041   6.074
  698    HG   LEU  89           HG       LEU  89  -7.453  -7.247   6.962
  699   1HD1  LEU  89          1HD1      LEU  89  -5.948  -4.624   6.883
  700   2HD1  LEU  89          2HD1      LEU  89  -7.711  -4.768   6.740
  701   3HD1  LEU  89          3HD1      LEU  89  -6.910  -5.318   8.206
  702   1HD2  LEU  89          2HD2      LEU  89  -6.020  -6.105   4.536
  703   2HD2  LEU  89          3HD2      LEU  89  -6.951  -7.613   4.629
  704   3HD2  LEU  89          1HD2      LEU  89  -7.782  -6.063   4.790
  705    H    GLN  90           H        GLN  90  -2.781  -7.693   9.158
  706    HA   GLN  90           HA       GLN  90  -1.652 -10.212   8.261
  707   1HB   GLN  90          1HB       GLN  90  -0.306  -8.179   8.563
  708   2HB   GLN  90          2HB       GLN  90  -0.607  -8.197  10.291
  709   1HG   GLN  90          1HG       GLN  90   0.465 -10.776   9.208
  710   2HG   GLN  90          2HG       GLN  90   1.526  -9.400   8.997
  711   1HE2  GLN  90          2HE2      GLN  90   2.740  -9.990  12.260
  712   2HE2  GLN  90          1HE2      GLN  90   3.146  -9.972  10.550
  713    H    GLN  91           H        GLN  91  -2.668  -8.967  11.571
  714    HA   GLN  91           HA       GLN  91  -1.990 -11.176  12.968
  715   1HB   GLN  91          1HB       GLN  91  -3.210  -8.617  13.333
  716   2HB   GLN  91          2HB       GLN  91  -4.331  -9.726  14.038
  717   1HG   GLN  91          1HG       GLN  91  -1.353  -9.779  14.681
  718   2HG   GLN  91          2HG       GLN  91  -2.488  -8.670  15.439
  719   1HE2  GLN  91          2HE2      GLN  91  -2.690 -12.721  16.296
  720   2HE2  GLN  91          1HE2      GLN  91  -1.585 -12.092  15.085
  721    H    SER  92           H        SER  92  -5.224 -10.321  11.781
  722    HA   SER  92           HA       SER  92  -6.622 -12.727  12.488
  723   1HB   SER  92          1HB       SER  92  -7.538 -10.387  11.982
  724   2HB   SER  92          2HB       SER  92  -7.168 -10.680  10.278
  725    HG   SER  92           HG       SER  92  -8.936 -12.122  11.959
  726    H    GLY  93           H        GLY  93  -4.608 -11.668   9.746
  727   1HA   GLY  93          1HA       GLY  93  -3.618 -12.982   8.134
  728   2HA   GLY  93          2HA       GLY  93  -4.686 -14.335   8.517
  729    H    GLU  94           H        GLU  94  -6.408 -11.239   8.134
  730    HA   GLU  94           HA       GLU  94  -7.919 -12.242   5.933
  731   1HB   GLU  94          1HB       GLU  94  -8.340 -10.269   7.652
  732   2HB   GLU  94          2HB       GLU  94  -7.373  -9.338   6.535
  733   1HG   GLU  94          1HG       GLU  94  -9.561  -8.879   5.876
  734   2HG   GLU  94          2HG       GLU  94  -9.013 -10.034   4.677
  735    H    LEU  95           H        LEU  95  -4.918 -10.473   6.206
  736    HA   LEU  95           HA       LEU  95  -4.671  -9.294   3.683
  737   1HB   LEU  95          1HB       LEU  95  -3.227  -8.995   5.809
  738   2HB   LEU  95          2HB       LEU  95  -2.399 -10.463   5.354
  739    HG   LEU  95           HG       LEU  95  -1.520  -9.370   3.356
  740   1HD1  LEU  95          3HD1      LEU  95  -3.283  -7.015   4.168
  741   2HD1  LEU  95          1HD1      LEU  95  -1.941  -6.889   3.011
  742   3HD1  LEU  95          2HD1      LEU  95  -3.317  -7.922   2.632
  743   1HD2  LEU  95          1HD2      LEU  95  -0.359  -9.061   5.532
  744   2HD2  LEU  95          2HD2      LEU  95  -0.144  -7.652   4.493
  745   3HD2  LEU  95          3HD2      LEU  95  -1.305  -7.597   5.838
  746    H    LEU  96           H        LEU  96  -4.102 -12.644   4.717
  747    HA   LEU  96           HA       LEU  96  -2.502 -13.399   2.424
  748   1HB   LEU  96          1HB       LEU  96  -3.985 -15.047   4.498
  749   2HB   LEU  96          2HB       LEU  96  -3.143 -15.719   3.108
  750    HG   LEU  96           HG       LEU  96  -1.122 -14.180   3.933
  751   1HD1  LEU  96          1HD1      LEU  96  -2.679 -14.681   6.507
  752   2HD1  LEU  96          2HD1      LEU  96  -0.972 -14.160   6.419
  753   3HD1  LEU  96          3HD1      LEU  96  -2.247 -13.103   5.826
  754   1HD2  LEU  96          2HD2      LEU  96  -1.885 -16.832   5.170
  755   2HD2  LEU  96          3HD2      LEU  96  -1.043 -16.569   3.627
  756   3HD2  LEU  96          1HD2      LEU  96  -0.247 -16.115   5.136
  757    H    THR  97           H        THR  97  -5.985 -13.904   3.319
  758    HA   THR  97           HA       THR  97  -6.762 -15.056   0.863
  759    HB   THR  97           HB       THR  97  -8.430 -13.282   2.719
  760    HG1  THR  97           HG1      THR  97  -8.690 -15.088   3.990
  761   1HG2  THR  97          3HG2      THR  97  -9.597 -14.091   0.672
  762   2HG2  THR  97          1HG2      THR  97  -9.169 -15.764   1.096
  763   3HG2  THR  97          2HG2      THR  97 -10.263 -14.826   2.138
  764    H    ARG  98           H        ARG  98  -6.829 -11.630   1.981
  765    HA   ARG  98           HA       ARG  98  -7.871 -10.361  -0.292
  766   1HB   ARG  98          1HB       ARG  98  -7.333  -9.368   1.948
  767   2HB   ARG  98          2HB       ARG  98  -5.641  -9.294   1.454
  768   1HG   ARG  98          1HG       ARG  98  -6.006  -7.431   0.272
  769   2HG   ARG  98          2HG       ARG  98  -7.268  -8.199  -0.702
  770   1HD   ARG  98          1HD       ARG  98  -7.589  -6.846   1.963
  771   2HD   ARG  98          2HD       ARG  98  -8.053  -6.219   0.358
  772    HE   ARG  98           HE       ARG  98  -9.629  -8.203   0.231
  773   1HH1  ARG  98          2HH2      ARG  98  -9.448  -5.982   2.855
  774   2HH1  ARG  98          1HH2      ARG  98 -10.423  -6.850   4.010
  775   1HH2  ARG  98          2HH1      ARG  98 -11.397  -9.232   1.528
  776   2HH2  ARG  98          1HH1      ARG  98 -11.777  -8.523   3.041
  777    H    LEU  99           H        LEU  99  -4.407 -11.161   0.401
  778    HA   LEU  99           HA       LEU  99  -3.462 -10.243  -2.137
  779   1HB   LEU  99          1HB       LEU  99  -2.424 -12.046   0.083
  780   2HB   LEU  99          2HB       LEU  99  -1.472 -11.821  -1.357
  781    HG   LEU  99           HG       LEU  99  -2.436  -9.432   0.236
  782   1HD1  LEU  99          1HD1      LEU  99   0.134 -11.033   0.523
  783   2HD1  LEU  99          2HD1      LEU  99  -0.212  -9.464   1.304
  784   3HD1  LEU  99          3HD1      LEU  99  -1.155 -10.903   1.712
  785   1HD2  LEU  99          2HD2      LEU  99  -0.173  -9.863  -1.774
  786   2HD2  LEU  99          3HD2      LEU  99  -1.664  -8.984  -2.082
  787   3HD2  LEU  99          1HD2      LEU  99  -0.499  -8.361  -0.898
  788    H    LYS 100           H        LYS 100  -4.419 -13.571  -1.045
  789    HA   LYS 100           HA       LYS 100  -3.543 -14.659  -3.576
  790   1HB   LYS 100          1HB       LYS 100  -4.844 -15.705  -1.128
  791   2HB   LYS 100          2HB       LYS 100  -5.410 -16.480  -2.593
  792   1HG   LYS 100          1HG       LYS 100  -2.881 -16.664  -3.280
  793   2HG   LYS 100          2HG       LYS 100  -2.538 -16.170  -1.628
  794   1HD   LYS 100          1HD       LYS 100  -3.908 -18.097  -0.774
  795   2HD   LYS 100          2HD       LYS 100  -4.275 -18.585  -2.426
  796   1HE   LYS 100          1HE       LYS 100  -1.512 -18.614  -1.138
  797   2HE   LYS 100          2HE       LYS 100  -2.573 -19.995  -1.330
  798   1HZ   LYS 100          2HZ       LYS 100  -2.453 -19.604  -3.768
  799   2HZ   LYS 100          3HZ       LYS 100  -1.189 -18.562  -3.503
  800   3HZ   LYS 100          1HZ       LYS 100  -1.092 -20.127  -3.038
  801    H    GLN 101           H        GLN 101  -6.585 -13.175  -2.626
  802    HA   GLN 101           HA       GLN 101  -8.189 -13.874  -4.803
  803   1HB   GLN 101          1HB       GLN 101  -8.718 -12.325  -2.837
  804   2HB   GLN 101          2HB       GLN 101  -7.785 -11.081  -3.677
  805   1HG   GLN 101          1HG       GLN 101  -9.949 -10.575  -4.152
  806   2HG   GLN 101          2HG       GLN 101  -9.397 -11.333  -5.639
  807   1HE2  GLN 101          2HE2      GLN 101 -12.669 -12.763  -3.827
  808   2HE2  GLN 101          1HE2      GLN 101 -11.958 -11.178  -3.509
  809    H    ILE 102           H        ILE 102  -5.385 -11.581  -4.694
  810    HA   ILE 102           HA       ILE 102  -5.734 -11.005  -7.554
  811    HB   ILE 102           HB       ILE 102  -4.454  -9.144  -7.274
  812   1HG1  ILE 102          1HG1      ILE 102  -3.499  -9.195  -4.497
  813   2HG1  ILE 102          2HG1      ILE 102  -2.912 -10.565  -5.375
  814   1HG2  ILE 102          1HG2      ILE 102  -6.634  -9.088  -6.010
  815   2HG2  ILE 102          2HG2      ILE 102  -5.729  -9.383  -4.523
  816   3HG2  ILE 102          3HG2      ILE 102  -5.410  -7.914  -5.467
  817   1HD1  ILE 102          1HD1      ILE 102  -2.030  -9.131  -7.148
  818   2HD1  ILE 102          2HD1      ILE 102  -2.656  -7.693  -6.302
  819   3HD1  ILE 102          3HD1      ILE 102  -1.361  -8.678  -5.576
  820    H    GLY 103           H        GLY 103  -4.588 -13.642  -6.249
  821   1HA   GLY 103          1HA       GLY 103  -3.250 -15.278  -7.134
  822   2HA   GLY 103          2HA       GLY 103  -2.817 -14.170  -8.438
  823    H    ALA 104           H        ALA 104  -2.174 -13.186  -5.094
  824    HA   ALA 104           HA       ALA 104   0.619 -12.612  -5.751
  825   1HB   ALA 104          2HB       ALA 104  -1.095 -12.716  -3.203
  826   2HB   ALA 104          3HB       ALA 104   0.518 -12.011  -3.270
  827   3HB   ALA 104          1HB       ALA 104  -0.842 -11.252  -4.165
  828    H    LEU 105           H        LEU 105  -0.800 -14.727  -3.073
  829    HA   LEU 105           HA       LEU 105   1.849 -15.421  -2.625
  830   1HB   LEU 105          1HB       LEU 105  -0.430 -17.017  -1.608
  831   2HB   LEU 105          2HB       LEU 105   1.118 -16.721  -0.929
  832    HG   LEU 105           HG       LEU 105  -1.024 -14.596  -1.036
  833   1HD1  LEU 105          2HD1      LEU 105   0.064 -16.234   1.298
  834   2HD1  LEU 105          3HD1      LEU 105  -1.103 -14.897   1.413
  835   3HD1  LEU 105          1HD1      LEU 105  -1.548 -16.395   0.581
  836   1HD2  LEU 105          3HD2      LEU 105   1.755 -14.599   0.213
  837   2HD2  LEU 105          1HD2      LEU 105   1.204 -13.611  -1.151
  838   3HD2  LEU 105          2HD2      LEU 105   0.517 -13.345   0.457
  839    H    GLN 106           H        GLN 106   2.953 -17.111  -3.075
  840    HA   GLN 106           HA       GLN 106   2.358 -18.110  -5.743
  841   1HB   GLN 106          2HB       GLN 106   4.439 -16.880  -5.115
  842   2HB   GLN 106          3HB       GLN 106   4.911 -18.231  -4.090
  843   1HG   GLN 106          2HG       GLN 106   4.901 -19.710  -6.144
  844   2HG   GLN 106          3HG       GLN 106   4.523 -18.280  -7.119
  845   1HE2  GLN 106          2HE2      GLN 106   8.295 -18.750  -5.434
  846   2HE2  GLN 106          1HE2      GLN 106   6.908 -19.687  -4.878
   
  No H/Q in entry =         846
  Start of MODEL    9
    1   1H    ALA   2          1H        ALA   2  -3.761  15.450  -6.097
    2   2H    ALA   2          2H        ALA   2  -2.463  14.737  -5.399
    3   3H    ALA   2          3H        ALA   2  -2.390  16.310  -5.889
    4    HA   ALA   2           HA       ALA   2  -2.556  15.772  -8.146
    5   1HB   ALA   2          1HB       ALA   2  -0.284  15.730  -7.195
    6   2HB   ALA   2          2HB       ALA   2  -0.479  14.015  -6.776
    7   3HB   ALA   2          3HB       ALA   2  -0.462  14.515  -8.480
    8    H    GLN   3           H        GLN   3  -4.208  14.755  -9.119
    9    HA   GLN   3           HA       GLN   3  -5.177  12.132  -8.203
   10   1HB   GLN   3          1HB       GLN   3  -6.251  14.116 -10.246
   11   2HB   GLN   3          2HB       GLN   3  -7.065  12.642  -9.727
   12   1HG   GLN   3          1HG       GLN   3  -8.024  13.677  -8.029
   13   2HG   GLN   3          2HG       GLN   3  -6.467  14.117  -7.337
   14   1HE2  GLN   3          2HE2      GLN   3  -7.254  17.527  -7.865
   15   2HE2  GLN   3          1HE2      GLN   3  -6.478  16.312  -6.879
   16    H    GLU   4           H        GLU   4  -2.784  11.569  -9.198
   17    HA   GLU   4           HA       GLU   4  -3.294  10.182 -11.742
   18   1HB   GLU   4          1HB       GLU   4  -2.821  12.456 -12.586
   19   2HB   GLU   4          2HB       GLU   4  -1.294  12.495 -11.687
   20   1HG   GLU   4          1HG       GLU   4  -0.461  10.559 -12.993
   21   2HG   GLU   4          2HG       GLU   4  -2.016  10.428 -13.822
   22    H    PHE   5           H        PHE   5  -0.541  11.461  -9.739
   23    HA   PHE   5           HA       PHE   5   1.281   9.542 -10.384
   24   1HB   PHE   5          1HB       PHE   5   1.776  11.507  -9.024
   25   2HB   PHE   5          2HB       PHE   5   0.896  10.835  -7.659
   26    HD1  PHE   5          1HD       PHE   5   3.993  10.614  -9.691
   27    HD2  PHE   5          2HD       PHE   5   1.870   9.018  -6.284
   28    HE1  PHE   5          1HE       PHE   5   6.076   9.552  -8.878
   29    HE2  PHE   5          2HE       PHE   5   3.969   7.977  -5.480
   30    HZ   PHE   5           HZ       PHE   5   6.070   8.237  -6.759
   31    H    VAL   6           H        VAL   6  -1.082   9.259  -7.716
   32    HA   VAL   6           HA       VAL   6  -0.330   6.621  -6.906
   33    HB   VAL   6           HB       VAL   6  -2.717   8.436  -6.519
   34   1HG1  VAL   6          1HG1      VAL   6  -2.533   5.598  -5.465
   35   2HG1  VAL   6          2HG1      VAL   6  -3.657   6.830  -4.876
   36   3HG1  VAL   6          3HG1      VAL   6  -3.787   6.256  -6.536
   37   1HG2  VAL   6          3HG2      VAL   6  -0.574   8.793  -5.241
   38   2HG2  VAL   6          1HG2      VAL   6  -1.987   8.473  -4.208
   39   3HG2  VAL   6          2HG2      VAL   6  -0.800   7.202  -4.497
   40    H    ASN   7           H        ASN   7  -3.011   7.796  -9.004
   41    HA   ASN   7           HA       ASN   7  -4.182   5.318  -9.491
   42   1HB   ASN   7          1HB       ASN   7  -4.145   7.886 -11.131
   43   2HB   ASN   7          2HB       ASN   7  -5.043   6.454 -11.624
   44   1HD2  ASN   7          2HD2      ASN   7  -7.829   7.657  -9.794
   45   2HD2  ASN   7          1HD2      ASN   7  -7.152   7.411 -11.379
   46    H    CYS   8           H        CYS   8  -1.523   6.926 -11.235
   47    HA   CYS   8           HA       CYS   8  -1.359   4.961 -13.326
   48   1HB   CYS   8          1HB       CYS   8  -0.544   7.351 -13.434
   49   2HB   CYS   8          2HB       CYS   8   0.772   6.899 -12.341
   50    HG   CYS   8           HG       CYS   8   1.559   4.840 -13.926
   51    H    LYS   9           H        LYS   9   0.028   5.067  -9.997
   52    HA   LYS   9           HA       LYS   9   1.979   2.971 -10.700
   53   1HB   LYS   9          1HB       LYS   9   1.163   4.129  -8.008
   54   2HB   LYS   9          2HB       LYS   9   2.324   2.818  -8.201
   55   1HG   LYS   9          1HG       LYS   9   2.630   5.642  -9.246
   56   2HG   LYS   9          2HG       LYS   9   3.471   4.932  -7.885
   57   1HD   LYS   9          1HD       LYS   9   4.577   3.311  -9.402
   58   2HD   LYS   9          2HD       LYS   9   3.753   4.070 -10.786
   59   1HE   LYS   9          1HE       LYS   9   4.823   6.268 -10.049
   60   2HE   LYS   9          2HE       LYS   9   5.864   5.296  -8.989
   61   1HZ   LYS   9          3HZ       LYS   9   6.565   4.076 -11.009
   62   2HZ   LYS   9          1HZ       LYS   9   5.594   5.032 -11.925
   63   3HZ   LYS   9          2HZ       LYS   9   6.882   5.682 -11.137
   64    H    ILE  10           H        ILE  10  -1.243   3.026  -8.974
   65    HA   ILE  10           HA       ILE  10  -0.990   0.253  -8.321
   66    HB   ILE  10           HB       ILE  10  -3.608   1.667  -8.823
   67   1HG1  ILE  10          1HG1      ILE  10  -2.639   1.714  -5.991
   68   2HG1  ILE  10          2HG1      ILE  10  -1.790   2.824  -7.043
   69   1HG2  ILE  10          2HG2      ILE  10  -2.733  -0.541  -6.896
   70   2HG2  ILE  10          3HG2      ILE  10  -4.326   0.229  -6.880
   71   3HG2  ILE  10          1HG2      ILE  10  -3.813  -0.702  -8.302
   72   1HD1  ILE  10          2HD1      ILE  10  -4.812   2.657  -6.922
   73   2HD1  ILE  10          3HD1      ILE  10  -3.809   3.822  -6.031
   74   3HD1  ILE  10          1HD1      ILE  10  -3.829   3.843  -7.809
   75    H    GLN  11           H        GLN  11  -1.930  -1.596  -9.413
   76    HA   GLN  11           HA       GLN  11  -3.022  -1.212 -12.093
   77   1HB   GLN  11          1HB       GLN  11  -0.577  -1.318 -12.366
   78   2HB   GLN  11          2HB       GLN  11  -0.502  -2.827 -11.470
   79   1HG   GLN  11          1HG       GLN  11  -1.657  -4.007 -13.252
   80   2HG   GLN  11          2HG       GLN  11  -1.985  -2.485 -14.100
   81   1HE2  GLN  11          2HE2      GLN  11   1.232  -2.178 -15.586
   82   2HE2  GLN  11          1HE2      GLN  11  -0.373  -1.551 -15.451
   83    HA   PRO  12           HA       PRO  12  -5.468  -4.496 -10.286
   84   1HB   PRO  12          1HB       PRO  12  -6.350  -5.860 -12.531
   85   2HB   PRO  12          2HB       PRO  12  -7.045  -4.325 -11.932
   86   1HG   PRO  12          1HG       PRO  12  -4.961  -4.714 -14.102
   87   2HG   PRO  12          2HG       PRO  12  -6.427  -3.684 -14.148
   88   1HD   PRO  12          1HD       PRO  12  -4.022  -2.625 -13.589
   89   2HD   PRO  12          2HD       PRO  12  -5.452  -2.090 -12.673
   90    H    GLY  13           H        GLY  13  -4.867  -6.407  -9.479
   91   1HA   GLY  13          1HA       GLY  13  -3.693  -8.361  -9.131
   92   2HA   GLY  13          2HA       GLY  13  -3.082  -8.257 -10.766
   93    H    LYS  14           H        LYS  14  -2.363  -5.380  -8.902
   94    HA   LYS  14           HA       LYS  14   0.282  -6.534  -8.111
   95   1HB   LYS  14          1HB       LYS  14  -0.379  -4.060  -9.650
   96   2HB   LYS  14          2HB       LYS  14   0.665  -3.776  -8.279
   97   1HG   LYS  14          1HG       LYS  14   1.808  -6.050  -9.419
   98   2HG   LYS  14          2HG       LYS  14   1.241  -5.185 -10.821
   99   1HD   LYS  14          1HD       LYS  14   2.828  -3.679  -8.711
  100   2HD   LYS  14          2HD       LYS  14   3.659  -4.841  -9.707
  101   1HE   LYS  14          1HE       LYS  14   2.075  -2.482 -10.815
  102   2HE   LYS  14          2HE       LYS  14   3.828  -2.544 -10.574
  103   1HZ   LYS  14          1HZ       LYS  14   3.810  -4.523 -12.087
  104   2HZ   LYS  14          2HZ       LYS  14   2.252  -4.117 -12.501
  105   3HZ   LYS  14          3HZ       LYS  14   3.472  -3.078 -12.784
  106    H    VAL  15           H        VAL  15   1.330  -5.174  -6.300
  107    HA   VAL  15           HA       VAL  15  -0.737  -4.473  -4.302
  108    HB   VAL  15           HB       VAL  15   1.834  -6.034  -3.742
  109   1HG1  VAL  15          2HG1      VAL  15  -0.534  -5.097  -2.132
  110   2HG1  VAL  15          3HG1      VAL  15   0.593  -6.335  -1.529
  111   3HG1  VAL  15          1HG1      VAL  15   1.152  -4.686  -1.861
  112   1HG2  VAL  15          2HG2      VAL  15  -1.001  -7.066  -3.953
  113   2HG2  VAL  15          3HG2      VAL  15   0.377  -7.497  -4.986
  114   3HG2  VAL  15          1HG2      VAL  15   0.403  -7.951  -3.294
  115    H    VAL  16           H        VAL  16  -0.545  -2.323  -4.006
  116    HA   VAL  16           HA       VAL  16   2.169  -1.126  -4.117
  117    HB   VAL  16           HB       VAL  16  -0.376   0.076  -5.276
  118   1HG1  VAL  16          2HG1      VAL  16   2.560   0.866  -5.411
  119   2HG1  VAL  16          3HG1      VAL  16   1.220   1.712  -6.226
  120   3HG1  VAL  16          1HG1      VAL  16   1.321   1.706  -4.460
  121   1HG2  VAL  16          3HG2      VAL  16   1.925  -1.454  -6.552
  122   2HG2  VAL  16          1HG2      VAL  16   0.183  -1.769  -6.699
  123   3HG2  VAL  16          2HG2      VAL  16   0.900  -0.343  -7.474
  124    H    VAL  17           H        VAL  17   2.639  -0.537  -2.165
  125    HA   VAL  17           HA       VAL  17   0.589   0.774  -0.483
  126    HB   VAL  17           HB       VAL  17   3.353  -0.113   0.402
  127   1HG1  VAL  17          2HG1      VAL  17   2.254   1.677   1.746
  128   2HG1  VAL  17          3HG1      VAL  17   0.846   0.631   1.971
  129   3HG1  VAL  17          1HG1      VAL  17   2.425   0.170   2.648
  130   1HG2  VAL  17          1HG2      VAL  17   0.706  -1.604   0.494
  131   2HG2  VAL  17          2HG2      VAL  17   2.243  -2.186  -0.106
  132   3HG2  VAL  17          3HG2      VAL  17   2.049  -1.932   1.627
  133    H    PHE  18           H        PHE  18   0.619   2.912  -0.532
  134    HA   PHE  18           HA       PHE  18   2.949   4.368  -1.638
  135   1HB   PHE  18          1HB       PHE  18   0.217   5.265  -0.604
  136   2HB   PHE  18          2HB       PHE  18   1.443   6.397  -1.157
  137    HD1  PHE  18          2HD       PHE  18   2.285   6.259  -3.562
  138    HD2  PHE  18          1HD       PHE  18  -1.006   3.863  -2.148
  139    HE1  PHE  18          2HE       PHE  18   1.665   5.717  -5.909
  140    HE2  PHE  18          1HE       PHE  18  -1.618   3.321  -4.486
  141    HZ   PHE  18           HZ       PHE  18  -0.311   4.272  -6.358
  142    H    ILE  19           H        ILE  19   4.457   5.258  -0.348
  143    HA   ILE  19           HA       ILE  19   4.110   5.276   2.581
  144    HB   ILE  19           HB       ILE  19   6.326   4.211   2.757
  145   1HG1  ILE  19          1HG1      ILE  19   6.358   3.045   0.024
  146   2HG1  ILE  19          2HG1      ILE  19   6.782   4.748   0.129
  147   1HG2  ILE  19          1HG2      ILE  19   4.213   2.895   2.946
  148   2HG2  ILE  19          2HG2      ILE  19   4.446   2.374   1.259
  149   3HG2  ILE  19          3HG2      ILE  19   5.633   1.945   2.500
  150   1HD1  ILE  19          1HD1      ILE  19   8.130   2.593   1.761
  151   2HD1  ILE  19          2HD1      ILE  19   8.781   3.373   0.304
  152   3HD1  ILE  19          3HD1      ILE  19   8.514   4.327   1.773
  153    H    LYS  20           H        LYS  20   6.187   6.226   3.571
  154    HA   LYS  20           HA       LYS  20   7.783   7.845   1.803
  155   1HB   LYS  20          1HB       LYS  20   7.771   9.698   3.633
  156   2HB   LYS  20          2HB       LYS  20   6.500   9.653   2.383
  157   1HG   LYS  20          1HG       LYS  20   4.915   8.744   3.941
  158   2HG   LYS  20          2HG       LYS  20   6.158   8.592   5.196
  159   1HD   LYS  20          1HD       LYS  20   4.728  10.559   5.548
  160   2HD   LYS  20          2HD       LYS  20   6.418  11.017   5.292
  161   1HE   LYS  20          1HE       LYS  20   5.980  11.697   3.012
  162   2HE   LYS  20          2HE       LYS  20   4.322  11.083   3.106
  163   1HZ   LYS  20          1HZ       LYS  20   3.884  12.758   4.807
  164   2HZ   LYS  20          2HZ       LYS  20   5.410  13.353   4.671
  165   3HZ   LYS  20          3HZ       LYS  20   4.388  13.447   3.391
  166    HA   PRO  21           HA       PRO  21  10.502   5.564   4.226
  167   1HB   PRO  21          1HB       PRO  21  12.931   6.743   3.858
  168   2HB   PRO  21          2HB       PRO  21  11.994   6.018   2.517
  169   1HG   PRO  21          1HG       PRO  21  12.127   8.946   3.316
  170   2HG   PRO  21          2HG       PRO  21  12.329   8.240   1.681
  171   1HD   PRO  21          1HD       PRO  21   9.937   9.257   2.579
  172   2HD   PRO  21          2HD       PRO  21  10.024   7.883   1.455
  173    H    THR  22           H        THR  22   9.920   8.884   5.126
  174    HA   THR  22           HA       THR  22  11.569   9.190   7.400
  175    HB   THR  22           HB       THR  22   9.828  11.067   7.738
  176    HG1  THR  22           HG1      THR  22   8.092  10.544   6.651
  177   1HG2  THR  22          2HG2      THR  22  11.979  11.425   6.516
  178   2HG2  THR  22          3HG2      THR  22  11.207  10.900   5.007
  179   3HG2  THR  22          1HG2      THR  22  10.654  12.371   5.827
  180    H    CYS  23           H        CSN  23   8.178   8.157   6.949
  181    HA   CYS  23           HA       CSN  23   7.618   8.076   9.747
  182   1HB   CYS  23          2HB       CSN  23   6.192   7.767   7.193
  183   2HB   CYS  23          3HB       CSN  23   5.669   6.581   8.331
  184    HA   PRO  24           HA       PRO  24   9.253   3.854  10.290
  185   1HB   PRO  24          1HB       PRO  24   8.571   3.470  12.909
  186   2HB   PRO  24          2HB       PRO  24   9.938   4.499  12.390
  187   1HG   PRO  24          1HG       PRO  24   7.110   5.365  13.094
  188   2HG   PRO  24          2HG       PRO  24   8.645   6.048  13.697
  189   1HD   PRO  24          1HD       PRO  24   7.279   7.157  11.637
  190   2HD   PRO  24          2HD       PRO  24   9.072   7.124  11.623
  191    H    TYR  25           H        TYR  25   5.973   4.959  10.465
  192    HA   TYR  25           HA       TYR  25   4.692   2.383  10.814
  193   1HB   TYR  25          1HB       TYR  25   3.755   5.010   9.558
  194   2HB   TYR  25          2HB       TYR  25   2.720   3.638   9.926
  195    HD1  TYR  25          2HD       TYR  25   2.434   2.856  12.339
  196    HD2  TYR  25          1HD       TYR  25   4.456   6.548  11.306
  197    HE1  TYR  25          2HE       TYR  25   2.255   3.611  14.678
  198    HE2  TYR  25          1HE       TYR  25   4.337   7.264  13.661
  199    HH   TYR  25           HH       TYR  25   3.994   6.323  15.951
  200    H    CYS  26           H        CYS  26   6.099   4.187   8.066
  201    HA   CYS  26           HA       CYS  26   4.935   2.412   6.040
  202   1HB   CYS  26          1HB       CYS  26   7.168   4.513   6.030
  203   2HB   CYS  26          2HB       CYS  26   6.728   3.515   4.651
  204    HG   CYS  26           HG       CYS  26   4.916   5.664   6.400
  205    H    ARG  27           H        ARG  27   8.002   2.755   7.861
  206    HA   ARG  27           HA       ARG  27   9.412   0.580   6.820
  207   1HB   ARG  27          1HB       ARG  27   9.957   2.331   8.770
  208   2HB   ARG  27          2HB       ARG  27   9.388   1.033   9.804
  209   1HG   ARG  27          1HG       ARG  27  11.092  -0.486   8.711
  210   2HG   ARG  27          2HG       ARG  27  11.708   0.932   7.834
  211   1HD   ARG  27          1HD       ARG  27  11.440   1.677  10.612
  212   2HD   ARG  27          2HD       ARG  27  12.180   0.087  10.578
  213    HE   ARG  27           HE       ARG  27  14.108   0.990   9.851
  214   1HH1  ARG  27          2HH2      ARG  27  11.693   3.380   8.675
  215   2HH1  ARG  27          1HH2      ARG  27  12.688   4.724   9.035
  216   1HH2  ARG  27          2HH1      ARG  27  15.410   2.845  10.246
  217   2HH2  ARG  27          1HH1      ARG  27  14.953   4.411   9.639
  218    H    ARG  28           H        ARG  28   6.976   0.602   9.459
  219    HA   ARG  28           HA       ARG  28   6.859  -2.151   9.935
  220   1HB   ARG  28          1HB       ARG  28   5.567  -0.323  11.186
  221   2HB   ARG  28          2HB       ARG  28   4.400  -0.362   9.897
  222   1HG   ARG  28          1HG       ARG  28   3.324  -1.988  10.962
  223   2HG   ARG  28          2HG       ARG  28   4.591  -3.063  10.437
  224   1HD   ARG  28          1HD       ARG  28   4.502  -1.603  13.097
  225   2HD   ARG  28          2HD       ARG  28   4.135  -3.311  12.822
  226    HE   ARG  28           HE       ARG  28   6.743  -2.974  11.863
  227   1HH1  ARG  28          2HH2      ARG  28   5.129  -2.693  15.047
  228   2HH1  ARG  28          1HH2      ARG  28   6.633  -2.884  15.917
  229   1HH2  ARG  28          2HH1      ARG  28   8.545  -3.351  12.952
  230   2HH2  ARG  28          1HH1      ARG  28   8.691  -3.238  14.678
  231    H    ALA  29           H        ALA  29   4.800  -0.307   7.683
  232    HA   ALA  29           HA       ALA  29   3.439  -2.531   6.660
  233   1HB   ALA  29          1HB       ALA  29   4.186   0.011   5.163
  234   2HB   ALA  29          2HB       ALA  29   3.125  -1.253   4.502
  235   3HB   ALA  29          3HB       ALA  29   2.645  -0.419   5.975
  236    H    GLN  30           H        GLN  30   6.677  -1.343   5.427
  237    HA   GLN  30           HA       GLN  30   6.941  -3.255   3.447
  238   1HB   GLN  30          1HB       GLN  30   8.804  -1.579   5.121
  239   2HB   GLN  30          2HB       GLN  30   9.518  -3.024   4.415
  240   1HG   GLN  30          1HG       GLN  30   9.853  -1.742   2.607
  241   2HG   GLN  30          2HG       GLN  30   8.177  -2.199   2.285
  242   1HE2  GLN  30          2HE2      GLN  30   9.237   1.677   3.319
  243   2HE2  GLN  30          1HE2      GLN  30  10.233   0.328   3.798
  244    H    GLU  31           H        GLU  31   7.717  -3.683   6.913
  245    HA   GLU  31           HA       GLU  31   8.804  -6.344   6.300
  246   1HB   GLU  31          1HB       GLU  31   9.097  -6.567   8.754
  247   2HB   GLU  31          2HB       GLU  31   9.837  -5.110   8.079
  248   1HG   GLU  31          1HG       GLU  31   7.901  -3.787   8.840
  249   2HG   GLU  31          2HG       GLU  31   7.250  -5.207   9.676
  250    H    ILE  32           H        ILE  32   5.882  -5.020   7.752
  251    HA   ILE  32           HA       ILE  32   4.506  -7.348   8.330
  252    HB   ILE  32           HB       ILE  32   3.736  -4.583   7.504
  253   1HG1  ILE  32          1HG1      ILE  32   3.105  -6.394   9.894
  254   2HG1  ILE  32          2HG1      ILE  32   4.332  -5.144   9.838
  255   1HG2  ILE  32          2HG2      ILE  32   2.017  -5.754   6.281
  256   2HG2  ILE  32          3HG2      ILE  32   1.591  -6.681   7.748
  257   3HG2  ILE  32          1HG2      ILE  32   1.348  -4.916   7.644
  258   1HD1  ILE  32          1HD1      ILE  32   2.386  -3.483   9.433
  259   2HD1  ILE  32          2HD1      ILE  32   1.301  -4.823   9.865
  260   3HD1  ILE  32          3HD1      ILE  32   2.478  -4.245  11.046
  261    H    LEU  33           H        LEU  33   4.570  -5.606   5.190
  262    HA   LEU  33           HA       LEU  33   2.892  -7.728   4.103
  263   1HB   LEU  33          1HB       LEU  33   4.052  -5.228   2.837
  264   2HB   LEU  33          2HB       LEU  33   3.358  -6.521   1.877
  265    HG   LEU  33           HG       LEU  33   1.890  -4.743   3.848
  266   1HD1  LEU  33          3HD1      LEU  33   2.363  -4.112   1.420
  267   2HD1  LEU  33          1HD1      LEU  33   1.304  -5.442   0.940
  268   3HD1  LEU  33          2HD1      LEU  33   0.653  -4.103   1.906
  269   1HD2  LEU  33          1HD2      LEU  33   0.896  -7.326   2.549
  270   2HD2  LEU  33          2HD2      LEU  33   0.902  -6.923   4.283
  271   3HD2  LEU  33          3HD2      LEU  33  -0.173  -6.059   3.186
  272    H    SER  34           H        SER  34   6.433  -6.740   3.783
  273    HA   SER  34           HA       SER  34   6.690  -8.681   1.654
  274   1HB   SER  34          1HB       SER  34   8.151  -6.701   1.951
  275   2HB   SER  34          2HB       SER  34   8.877  -7.487   3.366
  276    HG   SER  34           HG       SER  34   8.785  -8.848   0.879
  277    H    GLN  35           H        GLN  35   6.635  -9.123   5.167
  278    HA   GLN  35           HA       GLN  35   7.918 -11.726   5.087
  279   1HB   GLN  35          1HB       GLN  35   6.074 -10.335   7.072
  280   2HB   GLN  35          2HB       GLN  35   6.719 -11.947   7.352
  281   1HG   GLN  35          1HG       GLN  35   8.593  -9.619   6.792
  282   2HG   GLN  35          2HG       GLN  35   7.947  -9.934   8.400
  283   1HE2  GLN  35          2HE2      GLN  35  10.534 -12.212   9.084
  284   2HE2  GLN  35          1HE2      GLN  35   9.458 -10.935   9.615
  285    H    LEU  36           H        LEU  36   4.878 -10.666   3.818
  286    HA   LEU  36           HA       LEU  36   3.770 -13.383   3.897
  287   1HB   LEU  36          1HB       LEU  36   2.757 -10.820   2.634
  288   2HB   LEU  36          2HB       LEU  36   1.942 -12.374   2.684
  289    HG   LEU  36           HG       LEU  36   2.541 -10.497   5.010
  290   1HD1  LEU  36          2HD1      LEU  36   0.686  -9.806   3.548
  291   2HD1  LEU  36          3HD1      LEU  36  -0.103 -11.384   3.790
  292   3HD1  LEU  36          1HD1      LEU  36   0.113 -10.266   5.157
  293   1HD2  LEU  36          2HD2      LEU  36   1.257 -13.256   5.069
  294   2HD2  LEU  36          3HD2      LEU  36   2.731 -12.732   5.902
  295   3HD2  LEU  36          1HD2      LEU  36   1.180 -12.074   6.403
  296    HA   PRO  37           HA       PRO  37   6.399 -13.780   0.342
  297   1HB   PRO  37          1HB       PRO  37   5.879 -16.316  -0.472
  298   2HB   PRO  37          2HB       PRO  37   6.566 -15.951   1.130
  299   1HG   PRO  37          1HG       PRO  37   3.644 -16.445   0.455
  300   2HG   PRO  37          2HG       PRO  37   4.625 -17.227   1.736
  301   1HD   PRO  37          1HD       PRO  37   3.025 -15.069   2.255
  302   2HD   PRO  37          2HD       PRO  37   4.585 -15.300   3.083
  303    H    ILE  38           H        ILE  38   4.783 -11.977  -0.514
  304    HA   ILE  38           HA       ILE  38   2.791 -12.658  -2.491
  305    HB   ILE  38           HB       ILE  38   4.444 -10.137  -1.858
  306   1HG1  ILE  38          1HG1      ILE  38   1.908  -9.281  -1.655
  307   2HG1  ILE  38          2HG1      ILE  38   1.526 -10.996  -1.567
  308   1HG2  ILE  38          2HG2      ILE  38   2.429 -10.400  -4.124
  309   2HG2  ILE  38          3HG2      ILE  38   3.016  -8.861  -3.482
  310   3HG2  ILE  38          1HG2      ILE  38   4.153  -9.951  -4.236
  311   1HD1  ILE  38          1HD1      ILE  38   3.677  -9.820   0.215
  312   2HD1  ILE  38          2HD1      ILE  38   1.983  -9.594   0.607
  313   3HD1  ILE  38          3HD1      ILE  38   2.640 -11.247   0.449
  314    H    LYS  39           H        LYS  39   2.963 -12.874  -4.746
  315    HA   LYS  39           HA       LYS  39   5.164 -13.969  -5.745
  316   1HB   LYS  39          1HB       LYS  39   2.806 -12.797  -7.113
  317   2HB   LYS  39          2HB       LYS  39   4.232 -13.154  -8.088
  318   1HG   LYS  39          1HG       LYS  39   4.006 -15.483  -6.571
  319   2HG   LYS  39          2HG       LYS  39   2.317 -15.027  -6.807
  320   1HD   LYS  39          1HD       LYS  39   4.298 -15.289  -9.049
  321   2HD   LYS  39          2HD       LYS  39   3.221 -16.582  -8.477
  322   1HE   LYS  39          1HE       LYS  39   1.239 -15.380  -9.022
  323   2HE   LYS  39          2HE       LYS  39   2.101 -13.854  -9.233
  324   1HZ   LYS  39          3HZ       LYS  39   2.629 -16.150 -10.988
  325   2HZ   LYS  39          1HZ       LYS  39   1.438 -15.050 -11.304
  326   3HZ   LYS  39          2HZ       LYS  39   3.001 -14.553 -11.214
  327    H    GLN  40           H        GLN  40   7.157 -13.322  -6.441
  328    HA   GLN  40           HA       GLN  40   8.003 -10.699  -5.817
  329   1HB   GLN  40          1HB       GLN  40   9.435 -12.748  -5.792
  330   2HB   GLN  40          2HB       GLN  40   9.378 -12.792  -7.561
  331   1HG   GLN  40          1HG       GLN  40  10.394 -10.433  -7.543
  332   2HG   GLN  40          2HG       GLN  40  10.572 -10.604  -5.796
  333   1HE2  GLN  40          2HE2      GLN  40  13.020 -12.775  -8.316
  334   2HE2  GLN  40          1HE2      GLN  40  11.575 -11.987  -8.979
  335    H    GLY  41           H        GLY  41   7.480  -8.887  -6.936
  336   1HA   GLY  41          1HA       GLY  41   7.879  -7.669  -9.053
  337   2HA   GLY  41          2HA       GLY  41   7.109  -9.018  -9.897
  338    H    LEU  42           H        LEU  42   5.172  -9.093  -7.258
  339    HA   LEU  42           HA       LEU  42   3.237  -7.254  -8.410
  340   1HB   LEU  42          1HB       LEU  42   3.036  -8.953  -5.956
  341   2HB   LEU  42          2HB       LEU  42   1.770  -8.079  -6.772
  342    HG   LEU  42           HG       LEU  42   3.142 -10.623  -7.613
  343   1HD1  LEU  42          1HD1      LEU  42   1.114 -10.597  -6.142
  344   2HD1  LEU  42          2HD1      LEU  42   0.233  -9.770  -7.442
  345   3HD1  LEU  42          3HD1      LEU  42   0.833 -11.415  -7.701
  346   1HD2  LEU  42          2HD2      LEU  42   1.486  -8.849  -9.410
  347   2HD2  LEU  42          3HD2      LEU  42   3.165  -9.387  -9.679
  348   3HD2  LEU  42          1HD2      LEU  42   1.848 -10.562  -9.727
  349    H    LEU  43           H        LEU  43   5.304  -7.468  -5.492
  350    HA   LEU  43           HA       LEU  43   3.780  -5.391  -4.109
  351   1HB   LEU  43          1HB       LEU  43   4.983  -7.640  -3.169
  352   2HB   LEU  43          2HB       LEU  43   6.284  -6.515  -2.960
  353    HG   LEU  43           HG       LEU  43   5.402  -6.301  -0.914
  354   1HD1  LEU  43          2HD1      LEU  43   5.078  -4.062  -1.799
  355   2HD1  LEU  43          3HD1      LEU  43   3.394  -4.434  -2.232
  356   3HD1  LEU  43          1HD1      LEU  43   3.903  -4.441  -0.540
  357   1HD2  LEU  43          3HD2      LEU  43   2.725  -7.090  -2.049
  358   2HD2  LEU  43          1HD2      LEU  43   3.819  -7.973  -0.977
  359   3HD2  LEU  43          2HD2      LEU  43   2.942  -6.579  -0.360
  360    H    GLU  44           H        GLU  44   4.265  -3.206  -4.453
  361    HA   GLU  44           HA       GLU  44   7.134  -2.488  -4.882
  362   1HB   GLU  44          1HB       GLU  44   5.874  -2.814  -7.037
  363   2HB   GLU  44          2HB       GLU  44   4.842  -1.443  -6.580
  364   1HG   GLU  44          1HG       GLU  44   6.874  -0.033  -6.336
  365   2HG   GLU  44          2HG       GLU  44   7.896  -1.407  -6.785
  366    H    PHE  45           H        PHE  45   7.626  -1.167  -3.206
  367    HA   PHE  45           HA       PHE  45   5.498   0.272  -1.738
  368   1HB   PHE  45          1HB       PHE  45   8.450  -0.103  -1.132
  369   2HB   PHE  45          2HB       PHE  45   7.247   0.602  -0.071
  370    HD1  PHE  45          1HD       PHE  45   5.428  -0.850   0.906
  371    HD2  PHE  45          2HD       PHE  45   8.751  -2.502  -1.289
  372    HE1  PHE  45          1HE       PHE  45   4.913  -3.095   1.818
  373    HE2  PHE  45          2HE       PHE  45   8.258  -4.740  -0.345
  374    HZ   PHE  45           HZ       PHE  45   6.337  -5.046   1.209
  375    H    VAL  46           H        VAL  46   4.950   2.234  -2.571
  376    HA   VAL  46           HA       VAL  46   6.907   3.599  -4.315
  377    HB   VAL  46           HB       VAL  46   3.904   3.924  -3.905
  378   1HG1  VAL  46          3HG1      VAL  46   4.963   6.089  -4.538
  379   2HG1  VAL  46          1HG1      VAL  46   5.745   5.302  -5.923
  380   3HG1  VAL  46          2HG1      VAL  46   3.973   5.443  -5.833
  381   1HG2  VAL  46          2HG2      VAL  46   4.567   1.854  -5.105
  382   2HG2  VAL  46          3HG2      VAL  46   3.732   2.996  -6.164
  383   3HG2  VAL  46          1HG2      VAL  46   5.503   2.819  -6.259
  384    H    ASP  47           H        ASP  47   8.186   4.988  -3.278
  385    HA   ASP  47           HA       ASP  47   7.379   6.590  -1.017
  386   1HB   ASP  47          1HB       ASP  47   9.770   6.164  -1.622
  387   2HB   ASP  47          2HB       ASP  47   9.569   7.229  -3.026
  388    H    ILE  48           H        ILE  48   6.189   8.326  -1.000
  389    HA   ILE  48           HA       ILE  48   5.410   9.695  -3.531
  390    HB   ILE  48           HB       ILE  48   3.703  10.802  -2.231
  391   1HG1  ILE  48          1HG1      ILE  48   4.222   8.987   0.133
  392   2HG1  ILE  48          2HG1      ILE  48   4.844  10.618   0.067
  393   1HG2  ILE  48          1HG2      ILE  48   3.250   8.661  -3.403
  394   2HG2  ILE  48          2HG2      ILE  48   3.741   7.734  -1.973
  395   3HG2  ILE  48          3HG2      ILE  48   2.285   8.718  -1.921
  396   1HD1  ILE  48          3HD1      ILE  48   2.350  11.308  -0.391
  397   2HD1  ILE  48          1HD1      ILE  48   1.951   9.679   0.156
  398   3HD1  ILE  48          2HD1      ILE  48   2.800  10.793   1.232
  399    H    THR  49           H        THR  49   7.898  10.016  -1.246
  400    HA   THR  49           HA       THR  49   7.870  12.961  -1.385
  401    HB   THR  49           HB       THR  49   9.472  13.013   0.250
  402    HG1  THR  49           HG1      THR  49  10.067  10.274  -0.238
  403   1HG2  THR  49          2HG2      THR  49   7.281  12.229   1.112
  404   2HG2  THR  49          3HG2      THR  49   7.883  10.563   1.006
  405   3HG2  THR  49          1HG2      THR  49   8.663  11.708   2.104
  406    H    ALA  50           H        ALA  50   9.908  10.261  -2.567
  407    HA   ALA  50           HA       ALA  50  12.004  11.588  -3.689
  408   1HB   ALA  50          3HB       ALA  50  11.753   9.119  -3.541
  409   2HB   ALA  50          1HB       ALA  50  10.545   9.162  -4.840
  410   3HB   ALA  50          2HB       ALA  50  12.225   9.624  -5.170
  411    H    THR  51           H        THR  51   8.753  11.404  -5.041
  412    HA   THR  51           HA       THR  51   9.395  13.311  -7.142
  413    HB   THR  51           HB       THR  51   7.878  11.755  -8.672
  414    HG1  THR  51           HG1      THR  51   7.750  10.134  -6.961
  415   1HG2  THR  51          3HG2      THR  51  10.224  12.482  -9.146
  416   2HG2  THR  51          1HG2      THR  51  10.795  10.999  -8.337
  417   3HG2  THR  51          2HG2      THR  51   9.782  10.904  -9.802
  418    H    ASN  52           H        ASN  52   7.429  14.227  -7.969
  419    HA   ASN  52           HA       ASN  52   5.421  15.165  -7.768
  420   1HB   ASN  52          1HB       ASN  52   4.899  12.694  -8.276
  421   2HB   ASN  52          2HB       ASN  52   4.379  12.596  -6.611
  422   1HD2  ASN  52          2HD2      ASN  52   2.125  14.435  -9.537
  423   2HD2  ASN  52          1HD2      ASN  52   3.677  13.704  -9.827
  424    H    HIS  53           H        HIS  53   3.361  14.744  -5.649
  425    HA   HIS  53           HA       HIS  53   4.633  16.709  -3.795
  426   1HB   HIS  53          1HB       HIS  53   1.943  16.532  -5.263
  427   2HB   HIS  53          2HB       HIS  53   2.312  17.687  -3.980
  428    HD1  HIS  53          1HD       HIS  53   4.147  19.655  -4.597
  429    HD2  HIS  53          2HD       HIS  53   2.709  17.147  -7.643
  430    HE1  HIS  53          1HE       HIS  53   4.792  20.771  -6.788
  431    H    THR  54           H        THR  54   4.966  14.667  -2.556
  432    HA   THR  54           HA       THR  54   3.374  12.841  -1.600
  433    HB   THR  54           HB       THR  54   5.244  12.624  -0.370
  434    HG1  THR  54           HG1      THR  54   3.571  12.592   1.212
  435   1HG2  THR  54          3HG2      THR  54   5.202  15.560   0.223
  436   2HG2  THR  54          1HG2      THR  54   6.402  14.389   0.824
  437   3HG2  THR  54          2HG2      THR  54   6.263  14.684  -0.918
  438    H    ASN  55           H        ASN  55   3.368  15.862   0.193
  439    HA   ASN  55           HA       ASN  55   1.205  15.443   1.826
  440   1HB   ASN  55          1HB       ASN  55   2.799  17.490   1.664
  441   2HB   ASN  55          2HB       ASN  55   1.551  18.204   0.650
  442   1HD2  ASN  55          2HD2      ASN  55  -0.689  17.695   3.814
  443   2HD2  ASN  55          1HD2      ASN  55  -0.790  16.965   2.256
  444    H    GLU  56           H        GLU  56   0.978  16.727  -1.572
  445    HA   GLU  56           HA       GLU  56  -1.867  16.851  -1.562
  446   1HB   GLU  56          1HB       GLU  56   0.367  17.974  -2.838
  447   2HB   GLU  56          2HB       GLU  56  -0.274  16.925  -4.090
  448   1HG   GLU  56          1HG       GLU  56  -2.099  18.766  -2.511
  449   2HG   GLU  56          2HG       GLU  56  -0.995  19.414  -3.720
  450    H    ILE  57           H        ILE  57   0.336  14.265  -2.063
  451    HA   ILE  57           HA       ILE  57  -1.461  12.678  -3.797
  452    HB   ILE  57           HB       ILE  57   1.285  12.291  -2.571
  453   1HG1  ILE  57          1HG1      ILE  57   0.252  11.636  -5.347
  454   2HG1  ILE  57          2HG1      ILE  57   0.762  13.270  -4.898
  455   1HG2  ILE  57          2HG2      ILE  57  -0.631  10.093  -3.362
  456   2HG2  ILE  57          3HG2      ILE  57   1.101   9.851  -3.520
  457   3HG2  ILE  57          1HG2      ILE  57   0.406  10.192  -1.935
  458   1HD1  ILE  57          2HD1      ILE  57   2.626  10.878  -4.566
  459   2HD1  ILE  57          3HD1      ILE  57   2.498  11.858  -6.014
  460   3HD1  ILE  57          1HD1      ILE  57   3.007  12.605  -4.475
  461    H    GLN  58           H        GLN  58  -0.277  12.800  -0.412
  462    HA   GLN  58           HA       GLN  58  -1.831  10.515   0.367
  463   1HB   GLN  58          1HB       GLN  58  -1.079  11.060   2.591
  464   2HB   GLN  58          2HB       GLN  58   0.154  11.036   1.349
  465   1HG   GLN  58          1HG       GLN  58   1.073  12.840   2.028
  466   2HG   GLN  58          2HG       GLN  58  -0.319  13.696   1.541
  467   1HE2  GLN  58          2HE2      GLN  58  -0.874  12.865   5.511
  468   2HE2  GLN  58          1HE2      GLN  58  -1.258  11.708   4.267
  469    H    ASP  59           H        ASP  59  -2.232  13.932   0.791
  470    HA   ASP  59           HA       ASP  59  -4.913  13.934   1.821
  471   1HB   ASP  59          1HB       ASP  59  -3.380  15.890   0.095
  472   2HB   ASP  59          2HB       ASP  59  -5.075  16.084   0.361
  473    H    TYR  60           H        TYR  60  -3.807  13.510  -1.599
  474    HA   TYR  60           HA       TYR  60  -6.503  13.215  -2.619
  475   1HB   TYR  60          1HB       TYR  60  -4.804  13.806  -4.144
  476   2HB   TYR  60          2HB       TYR  60  -3.796  12.448  -3.724
  477    HD1  TYR  60          1HD       TYR  60  -7.371  12.990  -4.879
  478    HD2  TYR  60          2HD       TYR  60  -3.743  10.669  -5.176
  479    HE1  TYR  60          1HE       TYR  60  -8.445  11.534  -6.567
  480    HE2  TYR  60          2HE       TYR  60  -4.817   9.210  -6.857
  481    HH   TYR  60           HH       TYR  60  -6.653   8.796  -8.070
  482    H    LEU  61           H        LEU  61  -4.213  10.893  -1.129
  483    HA   LEU  61           HA       LEU  61  -5.912   8.614  -1.611
  484   1HB   LEU  61          1HB       LEU  61  -3.908   9.081   0.632
  485   2HB   LEU  61          2HB       LEU  61  -4.761   7.586   0.378
  486    HG   LEU  61           HG       LEU  61  -2.950   8.833  -1.736
  487   1HD1  LEU  61          2HD1      LEU  61  -2.306   6.677   0.309
  488   2HD1  LEU  61          3HD1      LEU  61  -1.260   7.196  -1.035
  489   3HD1  LEU  61          1HD1      LEU  61  -1.631   8.309   0.287
  490   1HD2  LEU  61          3HD2      LEU  61  -4.181   6.075  -1.381
  491   2HD2  LEU  61          1HD2      LEU  61  -4.553   7.254  -2.654
  492   3HD2  LEU  61          2HD2      LEU  61  -2.958   6.489  -2.606
  493    H    GLN  62           H        GLN  62  -6.051  11.242   0.825
  494    HA   GLN  62           HA       GLN  62  -8.081  10.039   2.413
  495   1HB   GLN  62          1HB       GLN  62  -6.867  12.349   2.725
  496   2HB   GLN  62          2HB       GLN  62  -8.166  12.969   1.707
  497   1HG   GLN  62          1HG       GLN  62  -9.779  11.710   3.372
  498   2HG   GLN  62          2HG       GLN  62  -8.383  11.691   4.432
  499   1HE2  GLN  62          2HE2      GLN  62 -10.258  15.248   3.580
  500   2HE2  GLN  62          1HE2      GLN  62 -10.610  13.798   2.616
  501    H    GLN  63           H        GLN  63  -8.227  11.710  -0.728
  502    HA   GLN  63           HA       GLN  63 -11.102  11.726  -0.818
  503   1HB   GLN  63          1HB       GLN  63  -8.838  12.810  -2.295
  504   2HB   GLN  63          2HB       GLN  63  -9.868  11.999  -3.427
  505   1HG   GLN  63          1HG       GLN  63 -10.709  14.163  -1.440
  506   2HG   GLN  63          2HG       GLN  63 -10.359  14.421  -3.142
  507   1HE2  GLN  63          2HE2      GLN  63 -13.845  14.175  -3.737
  508   2HE2  GLN  63          1HE2      GLN  63 -12.350  15.053  -4.015
  509    H    LEU  64           H        LEU  64  -8.579   9.825  -2.550
  510    HA   LEU  64           HA       LEU  64 -10.503   8.155  -3.894
  511   1HB   LEU  64          1HB       LEU  64  -8.529   8.603  -5.061
  512   2HB   LEU  64          2HB       LEU  64  -7.523   8.333  -3.648
  513    HG   LEU  64           HG       LEU  64  -7.954   5.846  -3.832
  514   1HD1  LEU  64          1HD1      LEU  64 -10.018   5.969  -5.274
  515   2HD1  LEU  64          2HD1      LEU  64  -9.036   6.650  -6.574
  516   3HD1  LEU  64          3HD1      LEU  64  -8.736   4.999  -6.006
  517   1HD2  LEU  64          3HD2      LEU  64  -5.897   6.937  -4.610
  518   2HD2  LEU  64          1HD2      LEU  64  -6.337   5.556  -5.632
  519   3HD2  LEU  64          2HD2      LEU  64  -6.636   7.212  -6.199
  520    H    THR  65           H        THR  65  -8.853   7.748  -0.784
  521    HA   THR  65           HA       THR  65  -9.860   4.932  -0.666
  522    HB   THR  65           HB       THR  65  -7.964   4.254   0.520
  523    HG1  THR  65           HG1      THR  65  -7.224   6.975   0.630
  524   1HG2  THR  65          3HG2      THR  65  -7.612   4.398  -1.914
  525   2HG2  THR  65          1HG2      THR  65  -6.914   6.029  -1.713
  526   3HG2  THR  65          2HG2      THR  65  -6.118   4.626  -0.991
  527    H    GLY  66           H        GLY  66  -9.383   7.953   1.218
  528   1HA   GLY  66          1HA       GLY  66 -11.514   8.485   2.324
  529   2HA   GLY  66          2HA       GLY  66 -11.417   6.939   3.140
  530    H    ALA  67           H        ALA  67  -8.251   7.587   3.349
  531    HA   ALA  67           HA       ALA  67  -8.407   9.756   5.354
  532   1HB   ALA  67          1HB       ALA  67  -8.732   7.678   6.616
  533   2HB   ALA  67          2HB       ALA  67  -7.219   7.027   5.949
  534   3HB   ALA  67          3HB       ALA  67  -7.184   8.464   7.001
  535    H    ARG  68           H        ARG  68  -6.406  10.823   5.639
  536    HA   ARG  68           HA       ARG  68  -4.698  10.558   3.288
  537   1HB   ARG  68          1HB       ARG  68  -3.786  12.615   3.771
  538   2HB   ARG  68          2HB       ARG  68  -5.416  12.784   4.405
  539   1HG   ARG  68          1HG       ARG  68  -4.525  12.388   6.718
  540   2HG   ARG  68          2HG       ARG  68  -2.925  12.171   6.061
  541   1HD   ARG  68          1HD       ARG  68  -2.551  14.335   6.318
  542   2HD   ARG  68          2HD       ARG  68  -3.637  14.642   4.973
  543    HE   ARG  68           HE       ARG  68  -4.166  14.817   7.872
  544   1HH1  ARG  68          2HH2      ARG  68  -5.465  15.443   4.606
  545   2HH1  ARG  68          1HH2      ARG  68  -7.115  15.466   5.150
  546   1HH2  ARG  68          2HH1      ARG  68  -6.234  15.371   8.598
  547   2HH2  ARG  68          1HH1      ARG  68  -7.522  15.768   7.478
  548    H    THR  69           H        THR  69  -4.545   9.040   6.335
  549    HA   THR  69           HA       THR  69  -1.856   9.189   7.008
  550    HB   THR  69           HB       THR  69  -2.544   6.697   7.862
  551    HG1  THR  69           HG1      THR  69  -4.563   6.811   6.632
  552   1HG2  THR  69          1HG2      THR  69  -3.684   9.314   8.949
  553   2HG2  THR  69          2HG2      THR  69  -3.580   7.781   9.845
  554   3HG2  THR  69          3HG2      THR  69  -2.101   8.606   9.342
  555    H    VAL  70           H        VAL  70  -0.032   8.068   6.543
  556    HA   VAL  70           HA       VAL  70  -0.083   6.026   4.433
  557    HB   VAL  70           HB       VAL  70   2.462   6.643   4.389
  558   1HG1  VAL  70          1HG1      VAL  70   0.349   8.430   3.129
  559   2HG1  VAL  70          2HG1      VAL  70   2.050   8.264   2.593
  560   3HG1  VAL  70          3HG1      VAL  70   0.953   6.882   2.505
  561   1HG2  VAL  70          1HG2      VAL  70   2.409   8.214   6.331
  562   2HG2  VAL  70          2HG2      VAL  70   2.975   8.990   4.858
  563   3HG2  VAL  70          3HG2      VAL  70   1.337   9.301   5.433
  564    HA   PRO  71           HA       PRO  71   1.791   4.270   4.007
  565   1HB   PRO  71          1HB       PRO  71   1.408   1.571   4.421
  566   2HB   PRO  71          2HB       PRO  71   2.932   2.406   4.851
  567   1HG   PRO  71          1HG       PRO  71   0.566   1.781   6.659
  568   2HG   PRO  71          2HG       PRO  71   2.296   1.437   6.966
  569   1HD   PRO  71          1HD       PRO  71   1.145   3.629   7.992
  570   2HD   PRO  71          2HD       PRO  71   2.800   3.712   7.319
  571    H    ARG  72           H        ARG  72   0.332   3.150   2.420
  572    HA   ARG  72           HA       ARG  72  -2.458   2.740   3.322
  573   1HB   ARG  72          1HB       ARG  72  -2.187   5.157   2.512
  574   2HB   ARG  72          2HB       ARG  72  -1.727   4.499   0.937
  575   1HG   ARG  72          1HG       ARG  72  -4.034   4.908   0.700
  576   2HG   ARG  72          2HG       ARG  72  -3.960   3.176   1.050
  577   1HD   ARG  72          1HD       ARG  72  -4.196   4.047   3.579
  578   2HD   ARG  72          2HD       ARG  72  -4.841   5.482   2.749
  579    HE   ARG  72           HE       ARG  72  -6.211   3.335   1.672
  580   1HH1  ARG  72          2HH2      ARG  72  -5.886   4.910   4.861
  581   2HH1  ARG  72          1HH2      ARG  72  -7.432   4.330   5.424
  582   1HH2  ARG  72          2HH1      ARG  72  -8.428   2.849   2.393
  583   2HH2  ARG  72          1HH1      ARG  72  -8.918   3.468   3.921
  584    H    VAL  73           H        VAL  73  -2.839   0.658   2.715
  585    HA   VAL  73           HA       VAL  73  -1.177  -0.477   0.567
  586    HB   VAL  73           HB       VAL  73  -3.088  -1.742   2.573
  587   1HG1  VAL  73          1HG1      VAL  73  -1.254  -3.068   0.508
  588   2HG1  VAL  73          2HG1      VAL  73  -2.071  -3.920   1.838
  589   3HG1  VAL  73          3HG1      VAL  73  -3.017  -3.161   0.571
  590   1HG2  VAL  73          2HG2      VAL  73  -0.078  -1.404   2.517
  591   2HG2  VAL  73          3HG2      VAL  73  -1.233  -0.959   3.771
  592   3HG2  VAL  73          1HG2      VAL  73  -0.842  -2.664   3.450
  593    H    PHE  74           H        PHE  74  -1.855  -0.779  -1.455
  594    HA   PHE  74           HA       PHE  74  -4.721  -1.223  -1.955
  595   1HB   PHE  74          1HB       PHE  74  -2.511  -0.389  -3.872
  596   2HB   PHE  74          2HB       PHE  74  -4.097  -0.932  -4.350
  597    HD1  PHE  74          1HD       PHE  74  -2.447   1.707  -2.219
  598    HD2  PHE  74          2HD       PHE  74  -5.829   0.637  -4.684
  599    HE1  PHE  74          1HE       PHE  74  -3.272   4.035  -2.115
  600    HE2  PHE  74          2HE       PHE  74  -6.605   2.991  -4.618
  601    HZ   PHE  74           HZ       PHE  74  -5.318   4.694  -3.367
  602    H    ILE  75           H        ILE  75  -5.240  -3.243  -2.576
  603    HA   ILE  75           HA       ILE  75  -3.130  -5.103  -3.444
  604    HB   ILE  75           HB       ILE  75  -4.894  -5.520  -1.097
  605   1HG1  ILE  75          1HG1      ILE  75  -3.256  -7.536  -0.872
  606   2HG1  ILE  75          2HG1      ILE  75  -2.357  -6.756  -2.184
  607   1HG2  ILE  75          2HG2      ILE  75  -4.680  -7.687  -3.254
  608   2HG2  ILE  75          3HG2      ILE  75  -5.227  -7.976  -1.602
  609   3HG2  ILE  75          1HG2      ILE  75  -6.181  -6.949  -2.655
  610   1HD1  ILE  75          3HD1      ILE  75  -2.031  -4.851  -0.681
  611   2HD1  ILE  75          1HD1      ILE  75  -2.874  -5.772   0.609
  612   3HD1  ILE  75          2HD1      ILE  75  -1.355  -6.372  -0.073
  613    H    GLY  76           H        GLY  76  -3.516  -5.193  -5.537
  614   1HA   GLY  76          1HA       GLY  76  -4.534  -5.389  -7.536
  615   2HA   GLY  76          2HA       GLY  76  -5.735  -6.356  -6.689
  616    H    LYS  77           H        LYS  77  -4.874  -2.990  -7.286
  617    HA   LYS  77           HA       LYS  77  -5.832  -1.080  -7.523
  618   1HB   LYS  77          1HB       LYS  77  -6.954  -2.760  -9.499
  619   2HB   LYS  77          2HB       LYS  77  -8.302  -1.841  -8.840
  620   1HG   LYS  77          1HG       LYS  77  -6.818   0.239  -9.094
  621   2HG   LYS  77          2HG       LYS  77  -5.728  -0.770 -10.057
  622   1HD   LYS  77          1HD       LYS  77  -7.532  -1.306 -11.629
  623   2HD   LYS  77          2HD       LYS  77  -8.701  -0.392 -10.654
  624   1HE   LYS  77          1HE       LYS  77  -7.450   1.696 -11.086
  625   2HE   LYS  77          2HE       LYS  77  -6.245   0.788 -12.022
  626   1HZ   LYS  77          2HZ       LYS  77  -7.981   0.157 -13.548
  627   2HZ   LYS  77          3HZ       LYS  77  -9.104   1.070 -12.712
  628   3HZ   LYS  77          1HZ       LYS  77  -7.839   1.778 -13.489
  629    H    ASP  78           H        ASP  78  -7.532  -3.198  -5.546
  630    HA   ASP  78           HA       ASP  78  -9.323  -1.002  -4.617
  631   1HB   ASP  78          1HB       ASP  78 -10.008  -3.511  -4.756
  632   2HB   ASP  78          2HB       ASP  78  -9.053  -3.694  -3.280
  633    H    CYS  79           H        CYS  79  -9.248  -0.603  -2.168
  634    HA   CYS  79           HA       CYS  79  -6.456  -0.547  -1.162
  635   1HB   CYS  79          1HB       CYS  79  -7.199   1.654  -2.197
  636   2HB   CYS  79          2HB       CYS  79  -8.420   1.760  -0.917
  637    HG   CYS  79           HG       CYS  79  -5.200   1.132  -0.468
  638    H    ILE  80           H        ILE  80  -6.268  -1.310   0.949
  639    HA   ILE  80           HA       ILE  80  -8.810  -2.242   2.047
  640    HB   ILE  80           HB       ILE  80  -7.615  -4.071   2.798
  641   1HG1  ILE  80          1HG1      ILE  80  -5.179  -4.452   2.273
  642   2HG1  ILE  80          2HG1      ILE  80  -5.020  -2.720   1.991
  643   1HG2  ILE  80          1HG2      ILE  80  -8.193  -3.903   0.347
  644   2HG2  ILE  80          2HG2      ILE  80  -6.492  -3.522   0.023
  645   3HG2  ILE  80          3HG2      ILE  80  -6.928  -5.076   0.749
  646   1HD1  ILE  80          3HD1      ILE  80  -6.125  -3.785   4.617
  647   2HD1  ILE  80          1HD1      ILE  80  -4.380  -3.739   4.308
  648   3HD1  ILE  80          2HD1      ILE  80  -5.301  -2.240   4.305
  649    H    GLY  81           H        GLY  81  -6.345   0.047   2.839
  650   1HA   GLY  81          1HA       GLY  81  -7.401   1.219   5.036
  651   2HA   GLY  81          2HA       GLY  81  -6.705  -0.261   5.711
  652    H    GLY  82           H        GLY  82  -5.660   1.853   6.714
  653   1HA   GLY  82          1HA       GLY  82  -3.287   2.759   5.270
  654   2HA   GLY  82          2HA       GLY  82  -3.889   3.350   6.820
  655    H    CYS  83           H        CYS  83  -3.478   2.096   8.744
  656    HA   CYS  83           HA       CYS  83  -1.115   0.311   8.492
  657   1HB   CYS  83          1HB       CYS  83  -0.797   2.897   9.111
  658   2HB   CYS  83          2HB       CYS  83  -1.227   2.325  10.735
  659    HG   CYS  83           HG       CYS  83   1.339   2.460  10.567
  660    H    SER  84           H        SER  84  -3.470   1.540  10.995
  661    HA   SER  84           HA       SER  84  -3.060  -0.787  12.652
  662   1HB   SER  84          1HB       SER  84  -3.859   1.546  13.310
  663   2HB   SER  84          2HB       SER  84  -5.432   1.097  12.638
  664    HG   SER  84           HG       SER  84  -5.451  -0.657  14.153
  665    H    ASP  85           H        ASP  85  -5.392   0.142  10.103
  666    HA   ASP  85           HA       ASP  85  -7.133  -2.138  10.315
  667   1HB   ASP  85          1HB       ASP  85  -6.442  -0.194   8.084
  668   2HB   ASP  85          2HB       ASP  85  -7.458  -1.599   7.775
  669    H    LEU  86           H        LEU  86  -4.322  -1.465   8.207
  670    HA   LEU  86           HA       LEU  86  -4.029  -3.927   6.919
  671   1HB   LEU  86          1HB       LEU  86  -2.737  -1.960   6.276
  672   2HB   LEU  86          2HB       LEU  86  -1.981  -1.882   7.850
  673    HG   LEU  86           HG       LEU  86  -0.824  -4.057   7.444
  674   1HD1  LEU  86          2HD1      LEU  86  -2.146  -3.807   4.718
  675   2HD1  LEU  86          3HD1      LEU  86  -0.720  -4.827   5.048
  676   3HD1  LEU  86          1HD1      LEU  86  -2.245  -5.149   5.867
  677   1HD2  LEU  86          1HD2      LEU  86  -0.352  -1.697   5.623
  678   2HD2  LEU  86          2HD2      LEU  86   0.414  -2.094   7.152
  679   3HD2  LEU  86          3HD2      LEU  86   0.763  -3.088   5.729
  680    H    VAL  87           H        VAL  87  -2.704  -2.949  10.170
  681    HA   VAL  87           HA       VAL  87  -1.222  -5.241  10.654
  682    HB   VAL  87           HB       VAL  87  -2.511  -3.038  12.257
  683   1HG1  VAL  87          2HG1      VAL  87  -1.097  -5.425  13.465
  684   2HG1  VAL  87          3HG1      VAL  87  -1.417  -3.864  14.281
  685   3HG1  VAL  87          1HG1      VAL  87  -2.768  -4.889  13.772
  686   1HG2  VAL  87          1HG2      VAL  87  -0.324  -2.758  10.972
  687   2HG2  VAL  87          2HG2      VAL  87  -0.239  -2.401  12.704
  688   3HG2  VAL  87          3HG2      VAL  87   0.383  -3.943  12.087
  689    H    SER  88           H        SER  88  -4.792  -4.643  11.306
  690    HA   SER  88           HA       SER  88  -5.079  -7.134  12.762
  691   1HB   SER  88          1HB       SER  88  -7.002  -5.254  11.394
  692   2HB   SER  88          2HB       SER  88  -7.441  -6.953  11.339
  693    HG   SER  88           HG       SER  88  -8.283  -6.327  13.227
  694    H    LEU  89           H        LEU  89  -5.581  -6.150   9.328
  695    HA   LEU  89           HA       LEU  89  -6.408  -8.697   8.484
  696   1HB   LEU  89          1HB       LEU  89  -5.146  -6.381   6.973
  697   2HB   LEU  89          2HB       LEU  89  -5.567  -7.906   6.207
  698    HG   LEU  89           HG       LEU  89  -7.959  -7.511   7.213
  699   1HD1  LEU  89          3HD1      LEU  89  -6.923  -4.667   7.058
  700   2HD1  LEU  89          1HD1      LEU  89  -8.633  -5.139   7.134
  701   3HD1  LEU  89          2HD1      LEU  89  -7.575  -5.516   8.486
  702   1HD2  LEU  89          2HD2      LEU  89  -6.877  -6.001   4.794
  703   2HD2  LEU  89          3HD2      LEU  89  -7.417  -7.695   4.816
  704   3HD2  LEU  89          1HD2      LEU  89  -8.582  -6.401   5.090
  705    H    GLN  90           H        GLN  90  -3.054  -7.459   8.984
  706    HA   GLN  90           HA       GLN  90  -1.900  -9.856   7.799
  707   1HB   GLN  90          1HB       GLN  90  -0.611  -7.722   8.076
  708   2HB   GLN  90          2HB       GLN  90  -0.675  -7.956   9.826
  709   1HG   GLN  90          1HG       GLN  90   0.342 -10.399   9.102
  710   2HG   GLN  90          2HG       GLN  90   0.876  -9.464   7.724
  711   1HE2  GLN  90          2HE2      GLN  90   3.790  -8.793   9.659
  712   2HE2  GLN  90          1HE2      GLN  90   3.120  -9.333   8.137
  713    H    GLN  91           H        GLN  91  -2.567  -8.835  11.261
  714    HA   GLN  91           HA       GLN  91  -1.344 -11.094  12.374
  715   1HB   GLN  91          1HB       GLN  91  -2.535  -8.595  13.149
  716   2HB   GLN  91          2HB       GLN  91  -3.387  -9.799  14.055
  717   1HG   GLN  91          1HG       GLN  91  -0.352  -9.837  13.957
  718   2HG   GLN  91          2HG       GLN  91  -1.203  -8.625  14.882
  719   1HE2  GLN  91          2HE2      GLN  91  -1.216 -12.493  16.294
  720   2HE2  GLN  91          1HE2      GLN  91  -0.726 -12.233  14.637
  721    H    SER  92           H        SER  92  -4.802 -10.320  11.864
  722    HA   SER  92           HA       SER  92  -5.973 -12.825  12.628
  723   1HB   SER  92          1HB       SER  92  -7.082 -10.523  12.237
  724   2HB   SER  92          2HB       SER  92  -6.871 -10.809  10.509
  725    HG   SER  92           HG       SER  92  -8.861 -11.546  10.882
  726    H    GLY  93           H        GLY  93  -4.396 -11.549   9.724
  727   1HA   GLY  93          1HA       GLY  93  -3.497 -12.700   7.965
  728   2HA   GLY  93          2HA       GLY  93  -4.275 -14.194   8.501
  729    H    GLU  94           H        GLU  94  -6.356 -11.230   8.171
  730    HA   GLU  94           HA       GLU  94  -7.932 -12.481   6.118
  731   1HB   GLU  94          1HB       GLU  94  -8.516 -10.583   7.755
  732   2HB   GLU  94          2HB       GLU  94  -7.482  -9.567   6.775
  733   1HG   GLU  94          1HG       GLU  94  -9.426  -9.004   5.790
  734   2HG   GLU  94          2HG       GLU  94  -9.082 -10.404   4.782
  735    H    LEU  95           H        LEU  95  -5.201 -10.250   6.173
  736    HA   LEU  95           HA       LEU  95  -5.183  -9.295   3.553
  737   1HB   LEU  95          1HB       LEU  95  -3.665  -8.841   5.762
  738   2HB   LEU  95          2HB       LEU  95  -2.562  -9.880   4.927
  739    HG   LEU  95           HG       LEU  95  -2.011  -7.623   4.601
  740   1HD1  LEU  95          2HD1      LEU  95  -1.741  -9.110   2.676
  741   2HD1  LEU  95          3HD1      LEU  95  -3.252  -8.461   1.979
  742   3HD1  LEU  95          1HD1      LEU  95  -1.849  -7.404   2.225
  743   1HD2  LEU  95          2HD2      LEU  95  -4.793  -7.092   3.458
  744   2HD2  LEU  95          3HD2      LEU  95  -4.111  -6.453   4.971
  745   3HD2  LEU  95          1HD2      LEU  95  -3.430  -5.954   3.429
  746    H    LEU  96           H        LEU  96  -3.923 -12.321   4.835
  747    HA   LEU  96           HA       LEU  96  -2.421 -13.160   2.551
  748   1HB   LEU  96          1HB       LEU  96  -3.706 -14.760   4.779
  749   2HB   LEU  96          2HB       LEU  96  -2.869 -15.489   3.417
  750    HG   LEU  96           HG       LEU  96  -0.944 -13.727   4.056
  751   1HD1  LEU  96          2HD1      LEU  96  -2.344 -14.248   6.711
  752   2HD1  LEU  96          3HD1      LEU  96  -0.733 -13.553   6.533
  753   3HD1  LEU  96          1HD1      LEU  96  -2.133 -12.655   5.938
  754   1HD2  LEU  96          1HD2      LEU  96  -0.711 -16.142   3.900
  755   2HD2  LEU  96          2HD2      LEU  96   0.130 -15.512   5.321
  756   3HD2  LEU  96          3HD2      LEU  96  -1.443 -16.339   5.507
  757    H    THR  97           H        THR  97  -5.912 -13.914   3.402
  758    HA   THR  97           HA       THR  97  -6.267 -15.328   0.883
  759    HB   THR  97           HB       THR  97  -8.164 -14.182   2.971
  760    HG1  THR  97           HG1      THR  97  -6.912 -16.099   3.476
  761   1HG2  THR  97          2HG2      THR  97  -8.822 -15.859   0.509
  762   2HG2  THR  97          3HG2      THR  97  -9.938 -15.533   1.859
  763   3HG2  THR  97          1HG2      THR  97  -9.380 -14.202   0.838
  764    H    ARG  98           H        ARG  98  -6.820 -11.991   2.062
  765    HA   ARG  98           HA       ARG  98  -8.086 -10.955  -0.209
  766   1HB   ARG  98          1HB       ARG  98  -7.339 -10.003   2.226
  767   2HB   ARG  98          2HB       ARG  98  -6.093  -9.224   1.263
  768   1HG   ARG  98          1HG       ARG  98  -9.101  -9.049   0.742
  769   2HG   ARG  98          2HG       ARG  98  -8.180  -7.908   1.740
  770   1HD   ARG  98          1HD       ARG  98  -6.910  -7.106  -0.069
  771   2HD   ARG  98          2HD       ARG  98  -7.358  -8.461  -1.096
  772    HE   ARG  98           HE       ARG  98  -8.752  -7.040  -1.993
  773   1HH1  ARG  98          2HH2      ARG  98  -9.634  -6.668   1.521
  774   2HH1  ARG  98          1HH2      ARG  98 -10.667  -5.355   1.144
  775   1HH2  ARG  98          2HH1      ARG  98 -10.149  -5.547  -2.357
  776   2HH2  ARG  98          1HH1      ARG  98 -11.049  -4.716  -1.127
  777    H    LEU  99           H        LEU  99  -4.531 -11.211   0.418
  778    HA   LEU  99           HA       LEU  99  -3.689 -10.321  -2.155
  779   1HB   LEU  99          1HB       LEU  99  -2.577 -12.020   0.116
  780   2HB   LEU  99          2HB       LEU  99  -1.674 -11.941  -1.366
  781    HG   LEU  99           HG       LEU  99  -2.496  -9.454   0.130
  782   1HD1  LEU  99          1HD1      LEU  99  -1.083 -10.934   1.531
  783   2HD1  LEU  99          2HD1      LEU  99   0.096 -11.042   0.225
  784   3HD1  LEU  99          3HD1      LEU  99  -0.198  -9.481   1.028
  785   1HD2  LEU  99          2HD2      LEU  99  -0.433  -9.992  -2.051
  786   2HD2  LEU  99          3HD2      LEU  99  -1.919  -9.073  -2.242
  787   3HD2  LEU  99          1HD2      LEU  99  -0.635  -8.454  -1.189
  788    H    LYS 100           H        LYS 100  -4.476 -13.663  -0.993
  789    HA   LYS 100           HA       LYS 100  -3.584 -14.787  -3.501
  790   1HB   LYS 100          1HB       LYS 100  -5.253 -15.783  -1.181
  791   2HB   LYS 100          2HB       LYS 100  -5.276 -16.653  -2.714
  792   1HG   LYS 100          1HG       LYS 100  -2.686 -16.500  -2.681
  793   2HG   LYS 100          2HG       LYS 100  -2.822 -15.933  -1.029
  794   1HD   LYS 100          1HD       LYS 100  -3.830 -18.068  -0.324
  795   2HD   LYS 100          2HD       LYS 100  -4.035 -18.575  -2.024
  796   1HE   LYS 100          1HE       LYS 100  -1.558 -18.414  -2.333
  797   2HE   LYS 100          2HE       LYS 100  -1.401 -18.073  -0.596
  798   1HZ   LYS 100          2HZ       LYS 100  -2.740 -20.524  -1.358
  799   2HZ   LYS 100          3HZ       LYS 100  -1.110 -20.404  -1.567
  800   3HZ   LYS 100          1HZ       LYS 100  -1.743 -20.153  -0.060
  801    H    GLN 101           H        GLN 101  -6.650 -13.353  -2.582
  802    HA   GLN 101           HA       GLN 101  -8.124 -13.949  -4.866
  803   1HB   GLN 101          1HB       GLN 101  -8.568 -12.406  -2.689
  804   2HB   GLN 101          2HB       GLN 101  -8.160 -11.128  -3.821
  805   1HG   GLN 101          1HG       GLN 101 -10.542 -11.393  -3.819
  806   2HG   GLN 101          2HG       GLN 101  -9.958 -11.991  -5.370
  807   1HE2  GLN 101          2HE2      GLN 101 -12.024 -14.833  -4.687
  808   2HE2  GLN 101          1HE2      GLN 101 -11.885 -13.387  -5.674
  809    H    ILE 102           H        ILE 102  -5.131 -12.059  -4.801
  810    HA   ILE 102           HA       ILE 102  -5.629 -11.283  -7.632
  811    HB   ILE 102           HB       ILE 102  -4.347  -9.399  -7.369
  812   1HG1  ILE 102          1HG1      ILE 102  -3.578  -9.438  -4.514
  813   2HG1  ILE 102          2HG1      ILE 102  -2.901 -10.747  -5.407
  814   1HG2  ILE 102          3HG2      ILE 102  -6.545  -9.175  -6.343
  815   2HG2  ILE 102          1HG2      ILE 102  -5.861  -9.611  -4.748
  816   3HG2  ILE 102          2HG2      ILE 102  -5.328  -8.132  -5.551
  817   1HD1  ILE 102          1HD1      ILE 102  -2.005  -9.182  -7.112
  818   2HD1  ILE 102          2HD1      ILE 102  -2.619  -7.823  -6.134
  819   3HD1  ILE 102          3HD1      ILE 102  -1.359  -8.911  -5.491
  820    H    GLY 103           H        GLY 103  -4.406 -13.884  -6.295
  821   1HA   GLY 103          1HA       GLY 103  -2.943 -15.450  -7.097
  822   2HA   GLY 103          2HA       GLY 103  -2.623 -14.389  -8.475
  823    H    ALA 104           H        ALA 104  -2.037 -13.706  -5.023
  824    HA   ALA 104           HA       ALA 104   0.727 -12.773  -5.642
  825   1HB   ALA 104          3HB       ALA 104  -1.133 -12.731  -3.208
  826   2HB   ALA 104          1HB       ALA 104   0.435 -11.916  -3.273
  827   3HB   ALA 104          2HB       ALA 104  -0.911 -11.367  -4.318
  828    H    LEU 105           H        LEU 105  -0.635 -14.884  -2.804
  829    HA   LEU 105           HA       LEU 105   2.121 -15.261  -2.280
  830   1HB   LEU 105          1HB       LEU 105  -0.009 -16.969  -1.183
  831   2HB   LEU 105          2HB       LEU 105   1.474 -16.470  -0.503
  832    HG   LEU 105           HG       LEU 105  -0.880 -14.591  -0.793
  833   1HD1  LEU 105          3HD1      LEU 105  -1.246 -16.334   0.925
  834   2HD1  LEU 105          1HD1      LEU 105   0.315 -15.925   1.670
  835   3HD1  LEU 105          2HD1      LEU 105  -1.009 -14.741   1.650
  836   1HD2  LEU 105          1HD2      LEU 105   1.898 -14.242   0.414
  837   2HD2  LEU 105          2HD2      LEU 105   1.179 -13.323  -0.918
  838   3HD2  LEU 105          3HD2      LEU 105   0.543 -13.150   0.729
  839    H    GLN 106           H        GLN 106   3.322 -16.859  -2.771
  840    HA   GLN 106           HA       GLN 106   2.679 -18.338  -5.173
  841   1HB   GLN 106          2HB       GLN 106   4.789 -17.116  -4.850
  842   2HB   GLN 106          3HB       GLN 106   5.261 -18.215  -3.552
  843   1HG   GLN 106          2HG       GLN 106   5.437 -20.077  -5.082
  844   2HG   GLN 106          3HG       GLN 106   4.569 -19.199  -6.348
  845   1HE2  GLN 106          2HE2      GLN 106   7.709 -18.450  -7.785
  846   2HE2  GLN 106          1HE2      GLN 106   6.208 -19.342  -7.955
   
  No H/Q in entry =         846
  Start of MODEL   10
    1   1H    ALA   2          3H        ALA   2  -1.067  13.986  -9.347
    2   2H    ALA   2          1H        ALA   2  -2.569  14.496  -8.886
    3   3H    ALA   2          2H        ALA   2  -1.273  14.808  -7.924
    4    HA   ALA   2           HA       ALA   2  -0.902  12.499  -7.528
    5   1HB   ALA   2          3HB       ALA   2  -2.269  13.763  -5.926
    6   2HB   ALA   2          1HB       ALA   2  -3.721  13.428  -6.884
    7   3HB   ALA   2          2HB       ALA   2  -2.837  12.096  -6.086
    8    H    GLN   3           H        GLN   3  -3.981  13.014  -9.219
    9    HA   GLN   3           HA       GLN   3  -4.926  10.562  -9.809
   10   1HB   GLN   3          1HB       GLN   3  -6.299  11.778 -11.425
   11   2HB   GLN   3          2HB       GLN   3  -6.173  12.616  -9.899
   12   1HG   GLN   3          1HG       GLN   3  -4.597  13.353 -12.411
   13   2HG   GLN   3          2HG       GLN   3  -6.087  14.123 -11.880
   14   1HE2  GLN   3          2HE2      GLN   3  -2.951  16.055 -10.700
   15   2HE2  GLN   3          1HE2      GLN   3  -3.296  15.335 -12.246
   16    H    GLU   4           H        GLU   4  -2.097  10.389 -10.511
   17    HA   GLU   4           HA       GLU   4  -2.372   8.771 -12.886
   18   1HB   GLU   4          1HB       GLU   4  -2.010  10.909 -14.017
   19   2HB   GLU   4          2HB       GLU   4  -0.675  11.293 -12.924
   20   1HG   GLU   4          1HG       GLU   4   0.651   9.408 -13.829
   21   2HG   GLU   4          2HG       GLU   4  -0.660   9.029 -14.948
   22    H    PHE   5           H        PHE   5   0.096  10.595 -10.898
   23    HA   PHE   5           HA       PHE   5   1.896   8.395 -10.940
   24   1HB   PHE   5          1HB       PHE   5   2.657  10.649 -10.388
   25   2HB   PHE   5          2HB       PHE   5   1.688  10.648  -8.913
   26    HD1  PHE   5          2HD       PHE   5   4.169   8.274 -10.553
   27    HD2  PHE   5          1HD       PHE   5   2.939  10.321  -6.962
   28    HE1  PHE   5          2HE       PHE   5   6.028   7.216  -9.304
   29    HE2  PHE   5          1HE       PHE   5   4.828   9.278  -5.724
   30    HZ   PHE   5           HZ       PHE   5   6.367   7.739  -6.888
   31    H    VAL   6           H        VAL   6  -0.559   9.291  -8.421
   32    HA   VAL   6           HA       VAL   6  -0.143   6.761  -7.039
   33    HB   VAL   6           HB       VAL   6  -2.152   9.009  -6.854
   34   1HG1  VAL   6          1HG1      VAL   6  -2.458   6.378  -5.394
   35   2HG1  VAL   6          2HG1      VAL   6  -3.329   7.868  -5.025
   36   3HG1  VAL   6          3HG1      VAL   6  -3.587   7.048  -6.572
   37   1HG2  VAL   6          2HG2      VAL   6   0.069   9.145  -5.684
   38   2HG2  VAL   6          3HG2      VAL   6  -1.322   9.127  -4.578
   39   3HG2  VAL   6          1HG2      VAL   6  -0.344   7.674  -4.789
   40    H    ASN   7           H        ASN   7  -2.662   8.081  -9.242
   41    HA   ASN   7           HA       ASN   7  -4.310   5.884  -9.029
   42   1HB   ASN   7          1HB       ASN   7  -4.839   8.139 -10.126
   43   2HB   ASN   7          2HB       ASN   7  -4.173   7.464 -11.623
   44   1HD2  ASN   7          2HD2      ASN   7  -7.871   6.367 -10.295
   45   2HD2  ASN   7          1HD2      ASN   7  -6.973   7.726  -9.687
   46    H    CYS   8           H        CYS   8  -1.848   6.365 -11.583
   47    HA   CYS   8           HA       CYS   8  -2.571   3.925 -12.935
   48   1HB   CYS   8          1HB       CYS   8  -1.679   6.077 -13.996
   49   2HB   CYS   8          2HB       CYS   8  -0.082   5.615 -13.370
   50    HG   CYS   8           HG       CYS   8  -0.385   5.013 -15.930
   51    H    LYS   9           H        LYS   9  -0.267   4.765 -10.369
   52    HA   LYS   9           HA       LYS   9   1.464   2.500 -10.903
   53   1HB   LYS   9          1HB       LYS   9   1.102   4.339  -8.521
   54   2HB   LYS   9          2HB       LYS   9   2.093   2.889  -8.383
   55   1HG   LYS   9          1HG       LYS   9   2.534   4.890 -10.629
   56   2HG   LYS   9          2HG       LYS   9   3.311   5.066  -9.052
   57   1HD   LYS   9          1HD       LYS   9   4.596   3.138  -9.263
   58   2HD   LYS   9          2HD       LYS   9   3.591   2.418 -10.509
   59   1HE   LYS   9          1HE       LYS   9   5.273   4.925 -10.948
   60   2HE   LYS   9          2HE       LYS   9   5.806   3.279 -11.294
   61   1HZ   LYS   9          1HZ       LYS   9   3.640   3.207 -12.709
   62   2HZ   LYS   9          2HZ       LYS   9   3.797   4.844 -12.714
   63   3HZ   LYS   9          3HZ       LYS   9   4.991   3.905 -13.308
   64    H    ILE  10           H        ILE  10  -1.568   2.896  -8.946
   65    HA   ILE  10           HA       ILE  10  -1.248   0.141  -8.051
   66    HB   ILE  10           HB       ILE  10  -3.904   1.469  -8.058
   67   1HG1  ILE  10          1HG1      ILE  10  -2.830   2.137  -5.508
   68   2HG1  ILE  10          2HG1      ILE  10  -1.739   2.824  -6.685
   69   1HG2  ILE  10          2HG2      ILE  10  -3.503  -0.859  -7.264
   70   2HG2  ILE  10          3HG2      ILE  10  -2.380  -0.232  -6.040
   71   3HG2  ILE  10          1HG2      ILE  10  -4.092   0.203  -5.968
   72   1HD1  ILE  10          3HD1      ILE  10  -3.716   3.892  -7.828
   73   2HD1  ILE  10          1HD1      ILE  10  -4.772   3.194  -6.584
   74   3HD1  ILE  10          2HD1      ILE  10  -3.556   4.402  -6.136
   75    H    GLN  11           H        GLN  11  -2.014  -1.617  -9.158
   76    HA   GLN  11           HA       GLN  11  -3.750  -1.211 -11.544
   77   1HB   GLN  11          1HB       GLN  11  -1.205  -2.824 -11.170
   78   2HB   GLN  11          2HB       GLN  11  -2.439  -3.377 -12.299
   79   1HG   GLN  11          1HG       GLN  11  -2.208  -1.505 -13.709
   80   2HG   GLN  11          2HG       GLN  11  -1.415  -0.539 -12.456
   81   1HE2  GLN  11          2HE2      GLN  11   0.898  -3.457 -14.265
   82   2HE2  GLN  11          1HE2      GLN  11  -0.771  -3.862 -13.904
   83    HA   PRO  12           HA       PRO  12  -6.253  -4.103  -9.360
   84   1HB   PRO  12          1HB       PRO  12  -7.806  -5.204 -11.300
   85   2HB   PRO  12          2HB       PRO  12  -7.832  -3.474 -10.883
   86   1HG   PRO  12          1HG       PRO  12  -6.243  -4.803 -13.095
   87   2HG   PRO  12          2HG       PRO  12  -7.360  -3.409 -13.245
   88   1HD   PRO  12          1HD       PRO  12  -4.690  -3.061 -12.968
   89   2HD   PRO  12          2HD       PRO  12  -5.848  -1.975 -12.149
   90    H    GLY  13           H        GLY  13  -3.644  -5.103 -10.038
   91   1HA   GLY  13          1HA       GLY  13  -3.954  -7.816  -9.113
   92   2HA   GLY  13          2HA       GLY  13  -3.443  -7.824 -10.791
   93    H    LYS  14           H        LYS  14  -2.333  -5.207  -8.626
   94    HA   LYS  14           HA       LYS  14   0.278  -6.570  -8.209
   95   1HB   LYS  14          1HB       LYS  14  -0.236  -3.913  -9.541
   96   2HB   LYS  14          2HB       LYS  14   0.923  -3.877  -8.221
   97   1HG   LYS  14          1HG       LYS  14   2.182  -5.746  -9.256
   98   2HG   LYS  14          2HG       LYS  14   1.087  -5.710 -10.622
   99   1HD   LYS  14          1HD       LYS  14   3.066  -4.619 -11.287
  100   2HD   LYS  14          2HD       LYS  14   1.858  -3.346 -11.074
  101   1HE   LYS  14          1HE       LYS  14   2.833  -2.812  -8.846
  102   2HE   LYS  14          2HE       LYS  14   3.992  -4.143  -9.017
  103   1HZ   LYS  14          2HZ       LYS  14   3.838  -1.839 -10.866
  104   2HZ   LYS  14          3HZ       LYS  14   4.878  -1.898  -9.614
  105   3HZ   LYS  14          1HZ       LYS  14   5.028  -2.992 -10.826
  106    H    VAL  15           H        VAL  15   1.365  -5.384  -6.245
  107    HA   VAL  15           HA       VAL  15  -0.734  -4.518  -4.329
  108    HB   VAL  15           HB       VAL  15   1.760  -6.149  -3.623
  109   1HG1  VAL  15          2HG1      VAL  15  -0.666  -5.132  -2.140
  110   2HG1  VAL  15          3HG1      VAL  15   0.473  -6.310  -1.441
  111   3HG1  VAL  15          1HG1      VAL  15   0.990  -4.664  -1.837
  112   1HG2  VAL  15          2HG2      VAL  15  -1.102  -7.101  -3.943
  113   2HG2  VAL  15          3HG2      VAL  15   0.340  -7.646  -4.837
  114   3HG2  VAL  15          1HG2      VAL  15   0.206  -7.996  -3.125
  115    H    VAL  16           H        VAL  16  -0.360  -2.374  -3.804
  116    HA   VAL  16           HA       VAL  16   2.407  -1.365  -4.223
  117    HB   VAL  16           HB       VAL  16  -0.142  -0.059  -5.230
  118   1HG1  VAL  16          2HG1      VAL  16   1.749   1.504  -4.729
  119   2HG1  VAL  16          3HG1      VAL  16   2.806   0.530  -5.773
  120   3HG1  VAL  16          1HG1      VAL  16   1.414   1.404  -6.458
  121   1HG2  VAL  16          3HG2      VAL  16   1.875  -1.784  -6.685
  122   2HG2  VAL  16          1HG2      VAL  16   0.111  -2.005  -6.568
  123   3HG2  VAL  16          2HG2      VAL  16   0.769  -0.663  -7.503
  124    H    VAL  17           H        VAL  17   3.114  -0.098  -2.625
  125    HA   VAL  17           HA       VAL  17   1.092   0.912  -0.676
  126    HB   VAL  17           HB       VAL  17   3.952   0.306   0.065
  127   1HG1  VAL  17          1HG1      VAL  17   2.522   1.711   1.581
  128   2HG1  VAL  17          2HG1      VAL  17   1.367   0.388   1.687
  129   3HG1  VAL  17          3HG1      VAL  17   3.017   0.181   2.321
  130   1HG2  VAL  17          1HG2      VAL  17   1.615  -1.655   0.168
  131   2HG2  VAL  17          2HG2      VAL  17   3.100  -1.839  -0.780
  132   3HG2  VAL  17          3HG2      VAL  17   3.193  -1.862   0.977
  133    H    PHE  18           H        PHE  18   0.919   3.077  -0.601
  134    HA   PHE  18           HA       PHE  18   3.083   4.761  -1.759
  135   1HB   PHE  18          1HB       PHE  18   0.362   5.538  -0.618
  136   2HB   PHE  18          2HB       PHE  18   1.526   6.667  -1.308
  137    HD1  PHE  18          1HD       PHE  18   2.500   6.056  -3.686
  138    HD2  PHE  18          2HD       PHE  18  -1.278   4.695  -2.088
  139    HE1  PHE  18          1HE       PHE  18   1.718   5.511  -5.983
  140    HE2  PHE  18          2HE       PHE  18  -2.050   4.181  -4.376
  141    HZ   PHE  18           HZ       PHE  18  -0.546   4.577  -6.316
  142    H    ILE  19           H        ILE  19   4.617   5.566  -0.434
  143    HA   ILE  19           HA       ILE  19   4.288   5.431   2.506
  144    HB   ILE  19           HB       ILE  19   6.541   4.284   2.571
  145   1HG1  ILE  19          1HG1      ILE  19   6.890   2.917   0.270
  146   2HG1  ILE  19          2HG1      ILE  19   6.320   4.403  -0.425
  147   1HG2  ILE  19          1HG2      ILE  19   4.389   3.093   2.770
  148   2HG2  ILE  19          2HG2      ILE  19   4.490   2.698   1.035
  149   3HG2  ILE  19          3HG2      ILE  19   5.721   2.119   2.158
  150   1HD1  ILE  19          2HD1      ILE  19   8.172   5.612   0.765
  151   2HD1  ILE  19          3HD1      ILE  19   8.725   4.040   1.400
  152   3HD1  ILE  19          1HD1      ILE  19   8.737   4.353  -0.346
  153    H    LYS  20           H        LYS  20   6.537   6.143   3.478
  154    HA   LYS  20           HA       LYS  20   7.686   8.392   2.022
  155   1HB   LYS  20          1HB       LYS  20   7.759   9.169   4.728
  156   2HB   LYS  20          2HB       LYS  20   6.903   9.924   3.418
  157   1HG   LYS  20          1HG       LYS  20   4.845   8.952   3.872
  158   2HG   LYS  20          2HG       LYS  20   5.507   7.768   4.981
  159   1HD   LYS  20          1HD       LYS  20   4.443   9.441   6.296
  160   2HD   LYS  20          2HD       LYS  20   6.181   9.624   6.539
  161   1HE   LYS  20          1HE       LYS  20   6.243  11.534   5.014
  162   2HE   LYS  20          2HE       LYS  20   4.553  11.281   4.552
  163   1HZ   LYS  20          2HZ       LYS  20   5.410  11.980   7.306
  164   2HZ   LYS  20          3HZ       LYS  20   4.824  13.036   6.176
  165   3HZ   LYS  20          1HZ       LYS  20   3.877  11.863   6.753
  166    HA   PRO  21           HA       PRO  21  11.194   6.210   2.703
  167   1HB   PRO  21          1HB       PRO  21  13.235   8.078   2.769
  168   2HB   PRO  21          2HB       PRO  21  12.164   7.811   1.367
  169   1HG   PRO  21          1HG       PRO  21  11.988   9.941   3.516
  170   2HG   PRO  21          2HG       PRO  21  11.829  10.121   1.742
  171   1HD   PRO  21          1HD       PRO  21   9.661   9.915   3.418
  172   2HD   PRO  21          2HD       PRO  21   9.672   9.281   1.748
  173    H    THR  22           H        THR  22  10.232   7.655   5.567
  174    HA   THR  22           HA       THR  22  12.763   7.102   7.034
  175    HB   THR  22           HB       THR  22  11.881   9.215   8.301
  176    HG1  THR  22           HG1      THR  22   9.862   9.318   7.277
  177   1HG2  THR  22          3HG2      THR  22  13.904   9.219   6.909
  178   2HG2  THR  22          1HG2      THR  22  12.940   9.473   5.451
  179   3HG2  THR  22          2HG2      THR  22  12.992  10.721   6.718
  180    H    CYS  23           H        CSN  23   9.245   6.652   7.145
  181    HA   CYS  23           HA       CSN  23   8.999   7.067   9.897
  182   1HB   CYS  23          2HB       CSN  23   6.729   5.739   8.819
  183   2HB   CYS  23          3HB       CSN  23   6.975   7.452   9.134
  184    HA   PRO  24           HA       PRO  24   9.165   2.855  11.521
  185   1HB   PRO  24          1HB       PRO  24   7.363   2.958  13.560
  186   2HB   PRO  24          2HB       PRO  24   8.945   3.794  13.636
  187   1HG   PRO  24          1HG       PRO  24   6.233   4.945  12.898
  188   2HG   PRO  24          2HG       PRO  24   7.422   5.608  14.045
  189   1HD   PRO  24          1HD       PRO  24   7.241   6.471  11.444
  190   2HD   PRO  24          2HD       PRO  24   8.816   6.378  12.278
  191    H    TYR  25           H        TYR  25   6.128   4.447  10.637
  192    HA   TYR  25           HA       TYR  25   4.479   2.105  10.755
  193   1HB   TYR  25          1HB       TYR  25   4.104   4.735   9.236
  194   2HB   TYR  25          2HB       TYR  25   2.863   3.518   9.521
  195    HD1  TYR  25          2HD       TYR  25   2.132   2.961  11.893
  196    HD2  TYR  25          1HD       TYR  25   4.580   6.390  10.921
  197    HE1  TYR  25          2HE       TYR  25   1.523   4.001  14.044
  198    HE2  TYR  25          1HE       TYR  25   3.996   7.424  13.084
  199    HH   TYR  25           HH       TYR  25   1.836   5.800  15.468
  200    H    CYS  26           H        CYS  26   6.092   3.858   8.005
  201    HA   CYS  26           HA       CYS  26   5.128   1.985   6.030
  202   1HB   CYS  26          1HB       CYS  26   7.384   4.073   6.038
  203   2HB   CYS  26          2HB       CYS  26   6.912   3.088   4.664
  204    HG   CYS  26           HG       CYS  26   5.753   5.703   5.823
  205    H    ARG  27           H        ARG  27   8.257   2.373   7.837
  206    HA   ARG  27           HA       ARG  27   9.623   0.076   6.987
  207   1HB   ARG  27          1HB       ARG  27  10.474   1.840   8.508
  208   2HB   ARG  27          2HB       ARG  27   9.449   1.175   9.797
  209   1HG   ARG  27          1HG       ARG  27  10.683  -1.050   9.303
  210   2HG   ARG  27          2HG       ARG  27  11.850  -0.092   8.410
  211   1HD   ARG  27          1HD       ARG  27  11.067   0.647  11.266
  212   2HD   ARG  27          2HD       ARG  27  12.247  -0.621  10.935
  213    HE   ARG  27           HE       ARG  27  12.620   2.092   9.747
  214   1HH1  ARG  27          2HH2      ARG  27  13.535   0.100  12.439
  215   2HH1  ARG  27          1HH2      ARG  27  15.257   0.232  12.267
  216   1HH2  ARG  27          2HH1      ARG  27  14.866   2.454   9.437
  217   2HH2  ARG  27          1HH1      ARG  27  16.046   1.763  10.521
  218    H    ARG  28           H        ARG  28   7.072   0.183   9.571
  219    HA   ARG  28           HA       ARG  28   7.115  -2.617  10.049
  220   1HB   ARG  28          1HB       ARG  28   5.917  -0.916  11.458
  221   2HB   ARG  28          2HB       ARG  28   4.672  -0.788  10.240
  222   1HG   ARG  28          1HG       ARG  28   3.633  -2.684  10.923
  223   2HG   ARG  28          2HG       ARG  28   5.105  -3.627  10.790
  224   1HD   ARG  28          1HD       ARG  28   5.830  -2.483  13.039
  225   2HD   ARG  28          2HD       ARG  28   4.122  -2.024  13.172
  226    HE   ARG  28           HE       ARG  28   4.756  -4.883  12.704
  227   1HH1  ARG  28          2HH2      ARG  28   4.166  -2.423  15.203
  228   2HH1  ARG  28          1HH2      ARG  28   3.735  -3.602  16.404
  229   1HH2  ARG  28          2HH1      ARG  28   4.439  -6.357  14.309
  230   2HH2  ARG  28          1HH1      ARG  28   3.903  -5.860  15.916
  231    H    ALA  29           H        ALA  29   4.883  -0.718   8.039
  232    HA   ALA  29           HA       ALA  29   3.382  -2.865   7.108
  233   1HB   ALA  29          1HB       ALA  29   4.004  -0.242   5.677
  234   2HB   ALA  29          2HB       ALA  29   2.718  -1.364   5.202
  235   3HB   ALA  29          3HB       ALA  29   2.638  -0.579   6.788
  236    H    GLN  30           H        GLN  30   6.392  -1.533   5.547
  237    HA   GLN  30           HA       GLN  30   6.303  -3.253   3.327
  238   1HB   GLN  30          1HB       GLN  30   8.450  -1.660   4.794
  239   2HB   GLN  30          2HB       GLN  30   8.959  -2.942   3.691
  240   1HG   GLN  30          1HG       GLN  30   8.806  -1.255   2.171
  241   2HG   GLN  30          2HG       GLN  30   7.196  -1.978   2.094
  242   1HE2  GLN  30          2HE2      GLN  30   7.793   1.883   3.417
  243   2HE2  GLN  30          1HE2      GLN  30   9.053   0.827   2.858
  244    H    GLU  31           H        GLU  31   7.875  -3.872   6.603
  245    HA   GLU  31           HA       GLU  31   8.883  -6.298   5.777
  246   1HB   GLU  31          1HB       GLU  31   9.372  -4.578   7.718
  247   2HB   GLU  31          2HB       GLU  31   8.002  -5.319   8.552
  248   1HG   GLU  31          1HG       GLU  31   9.506  -7.469   7.659
  249   2HG   GLU  31          2HG       GLU  31  10.720  -6.218   8.041
  250    H    ILE  32           H        ILE  32   5.970  -5.392   7.643
  251    HA   ILE  32           HA       ILE  32   4.785  -7.875   8.105
  252    HB   ILE  32           HB       ILE  32   3.867  -5.053   7.580
  253   1HG1  ILE  32          1HG1      ILE  32   3.769  -7.019   9.925
  254   2HG1  ILE  32          2HG1      ILE  32   4.772  -5.590   9.773
  255   1HG2  ILE  32          1HG2      ILE  32   2.077  -6.281   6.518
  256   2HG2  ILE  32          2HG2      ILE  32   1.917  -7.305   7.973
  257   3HG2  ILE  32          3HG2      ILE  32   1.532  -5.565   8.011
  258   1HD1  ILE  32          2HD1      ILE  32   2.587  -4.224   9.770
  259   2HD1  ILE  32          3HD1      ILE  32   1.765  -5.723  10.242
  260   3HD1  ILE  32          1HD1      ILE  32   3.001  -5.053  11.299
  261    H    LEU  33           H        LEU  33   4.594  -5.814   5.162
  262    HA   LEU  33           HA       LEU  33   2.835  -7.740   3.988
  263   1HB   LEU  33          1HB       LEU  33   4.155  -5.216   2.986
  264   2HB   LEU  33          2HB       LEU  33   3.669  -6.370   1.775
  265    HG   LEU  33           HG       LEU  33   1.717  -5.220   3.831
  266   1HD1  LEU  33          2HD1      LEU  33   2.224  -4.463   0.945
  267   2HD1  LEU  33          3HD1      LEU  33   0.845  -3.949   1.926
  268   3HD1  LEU  33          1HD1      LEU  33   2.483  -3.471   2.406
  269   1HD2  LEU  33          1HD2      LEU  33   1.082  -7.484   2.827
  270   2HD2  LEU  33          2HD2      LEU  33  -0.003  -6.170   2.361
  271   3HD2  LEU  33          3HD2      LEU  33   1.224  -6.765   1.224
  272    H    SER  34           H        SER  34   6.312  -6.799   3.486
  273    HA   SER  34           HA       SER  34   6.784  -8.592   1.338
  274   1HB   SER  34          1HB       SER  34   8.058  -6.529   1.969
  275   2HB   SER  34          2HB       SER  34   8.802  -7.431   3.298
  276    HG   SER  34           HG       SER  34  10.045  -7.251   1.378
  277    H    GLN  35           H        GLN  35   6.834  -9.249   4.822
  278    HA   GLN  35           HA       GLN  35   8.495 -11.624   4.686
  279   1HB   GLN  35          1HB       GLN  35   6.453 -10.687   6.740
  280   2HB   GLN  35          2HB       GLN  35   7.517 -12.063   6.970
  281   1HG   GLN  35          1HG       GLN  35   8.832  -9.434   6.317
  282   2HG   GLN  35          2HG       GLN  35   8.072  -9.603   7.905
  283   1HE2  GLN  35          2HE2      GLN  35  11.185 -10.872   8.978
  284   2HE2  GLN  35          1HE2      GLN  35   9.928  -9.658   9.227
  285    H    LEU  36           H        LEU  36   5.116 -10.949   3.903
  286    HA   LEU  36           HA       LEU  36   4.361 -13.780   3.930
  287   1HB   LEU  36          1HB       LEU  36   3.034 -11.256   2.871
  288   2HB   LEU  36          2HB       LEU  36   2.368 -12.863   2.665
  289    HG   LEU  36           HG       LEU  36   2.858 -11.478   5.342
  290   1HD1  LEU  36          3HD1      LEU  36   0.280 -12.019   3.801
  291   2HD1  LEU  36          1HD1      LEU  36   0.400 -11.311   5.429
  292   3HD1  LEU  36          2HD1      LEU  36   1.058 -10.436   4.038
  293   1HD2  LEU  36          1HD2      LEU  36   1.512 -14.141   4.686
  294   2HD2  LEU  36          2HD2      LEU  36   2.992 -13.900   5.643
  295   3HD2  LEU  36          3HD2      LEU  36   1.450 -13.328   6.268
  296    HA   PRO  37           HA       PRO  37   6.500 -14.152   0.081
  297   1HB   PRO  37          1HB       PRO  37   5.832 -16.662  -0.722
  298   2HB   PRO  37          2HB       PRO  37   6.727 -16.351   0.790
  299   1HG   PRO  37          1HG       PRO  37   3.731 -16.759   0.484
  300   2HG   PRO  37          2HG       PRO  37   4.851 -17.610   1.599
  301   1HD   PRO  37          1HD       PRO  37   3.401 -15.432   2.401
  302   2HD   PRO  37          2HD       PRO  37   5.063 -15.715   2.990
  303    H    ILE  38           H        ILE  38   4.913 -12.298  -0.568
  304    HA   ILE  38           HA       ILE  38   2.765 -12.922  -2.437
  305    HB   ILE  38           HB       ILE  38   4.465 -10.436  -1.771
  306   1HG1  ILE  38          1HG1      ILE  38   1.920  -9.547  -1.566
  307   2HG1  ILE  38          2HG1      ILE  38   1.573 -11.269  -1.347
  308   1HG2  ILE  38          3HG2      ILE  38   2.453 -10.563  -4.051
  309   2HG2  ILE  38          1HG2      ILE  38   3.048  -9.061  -3.328
  310   3HG2  ILE  38          2HG2      ILE  38   4.182 -10.119  -4.110
  311   1HD1  ILE  38          1HD1      ILE  38   3.680  -9.777   0.248
  312   2HD1  ILE  38          2HD1      ILE  38   1.983  -9.830   0.723
  313   3HD1  ILE  38          3HD1      ILE  38   2.914 -11.346   0.599
  314    H    LYS  39           H        LYS  39   2.867 -13.020  -4.701
  315    HA   LYS  39           HA       LYS  39   5.001 -14.018  -5.977
  316   1HB   LYS  39          1HB       LYS  39   2.541 -12.663  -6.894
  317   2HB   LYS  39          2HB       LYS  39   3.840 -12.875  -8.069
  318   1HG   LYS  39          1HG       LYS  39   3.388 -15.347  -6.522
  319   2HG   LYS  39          2HG       LYS  39   1.904 -14.797  -7.288
  320   1HD   LYS  39          1HD       LYS  39   4.536 -15.105  -8.769
  321   2HD   LYS  39          2HD       LYS  39   3.297 -16.367  -8.659
  322   1HE   LYS  39          1HE       LYS  39   1.623 -14.953  -9.703
  323   2HE   LYS  39          2HE       LYS  39   2.705 -13.559  -9.721
  324   1HZ   LYS  39          3HZ       LYS  39   3.590 -15.971 -11.088
  325   2HZ   LYS  39          1HZ       LYS  39   2.433 -15.040 -11.812
  326   3HZ   LYS  39          2HZ       LYS  39   3.887 -14.397 -11.441
  327    H    GLN  40           H        GLN  40   7.017 -13.161  -6.713
  328    HA   GLN  40           HA       GLN  40   7.533 -10.461  -5.923
  329   1HB   GLN  40          1HB       GLN  40   9.270 -12.249  -6.012
  330   2HB   GLN  40          2HB       GLN  40   9.316 -12.096  -7.773
  331   1HG   GLN  40          1HG       GLN  40  10.450 -10.078  -7.670
  332   2HG   GLN  40          2HG       GLN  40   9.574  -9.528  -6.242
  333   1HE2  GLN  40          2HE2      GLN  40  12.083 -10.373  -3.984
  334   2HE2  GLN  40          1HE2      GLN  40  10.831  -9.249  -4.474
  335    H    GLY  41           H        GLY  41   8.092  -8.631  -7.204
  336   1HA   GLY  41          1HA       GLY  41   7.836  -7.189  -8.978
  337   2HA   GLY  41          2HA       GLY  41   7.178  -8.491  -9.974
  338    H    LEU  42           H        LEU  42   5.104  -9.117  -7.498
  339    HA   LEU  42           HA       LEU  42   3.174  -7.282  -8.490
  340   1HB   LEU  42          1HB       LEU  42   3.014  -9.014  -6.028
  341   2HB   LEU  42          2HB       LEU  42   1.747  -8.088  -6.768
  342    HG   LEU  42           HG       LEU  42   3.002 -10.624  -7.762
  343   1HD1  LEU  42          2HD1      LEU  42   1.007 -10.532  -6.195
  344   2HD1  LEU  42          3HD1      LEU  42   0.107  -9.721  -7.491
  345   3HD1  LEU  42          1HD1      LEU  42   0.688 -11.370  -7.737
  346   1HD2  LEU  42          1HD2      LEU  42   1.274  -8.806  -9.449
  347   2HD2  LEU  42          2HD2      LEU  42   2.968  -9.276  -9.769
  348   3HD2  LEU  42          3HD2      LEU  42   1.692 -10.498  -9.807
  349    H    LEU  43           H        LEU  43   5.131  -7.562  -5.496
  350    HA   LEU  43           HA       LEU  43   3.696  -5.412  -4.237
  351   1HB   LEU  43          1HB       LEU  43   4.857  -7.601  -3.195
  352   2HB   LEU  43          2HB       LEU  43   6.180  -6.499  -3.018
  353    HG   LEU  43           HG       LEU  43   5.311  -6.045  -1.016
  354   1HD1  LEU  43          3HD1      LEU  43   4.714  -3.894  -2.089
  355   2HD1  LEU  43          1HD1      LEU  43   3.096  -4.508  -2.446
  356   3HD1  LEU  43          2HD1      LEU  43   3.615  -4.309  -0.778
  357   1HD2  LEU  43          2HD2      LEU  43   2.679  -7.178  -1.985
  358   2HD2  LEU  43          3HD2      LEU  43   3.888  -7.896  -0.924
  359   3HD2  LEU  43          1HD2      LEU  43   2.926  -6.531  -0.354
  360    H    GLU  44           H        GLU  44   4.173  -3.255  -4.599
  361    HA   GLU  44           HA       GLU  44   7.028  -2.470  -4.955
  362   1HB   GLU  44          1HB       GLU  44   5.626  -2.399  -7.073
  363   2HB   GLU  44          2HB       GLU  44   4.652  -1.136  -6.294
  364   1HG   GLU  44          1HG       GLU  44   6.751   0.203  -5.964
  365   2HG   GLU  44          2HG       GLU  44   7.673  -1.062  -6.769
  366    H    PHE  45           H        PHE  45   7.547  -0.425  -3.999
  367    HA   PHE  45           HA       PHE  45   5.574   0.691  -2.093
  368   1HB   PHE  45          1HB       PHE  45   8.521   0.602  -1.465
  369   2HB   PHE  45          2HB       PHE  45   7.175   0.876  -0.399
  370    HD1  PHE  45          1HD       PHE  45   5.379  -1.313  -0.600
  371    HD2  PHE  45          2HD       PHE  45   9.677  -1.382  -0.873
  372    HE1  PHE  45          1HE       PHE  45   5.407  -3.602   0.349
  373    HE2  PHE  45          2HE       PHE  45   9.690  -3.682   0.050
  374    HZ   PHE  45           HZ       PHE  45   7.543  -4.775   0.708
  375    H    VAL  46           H        VAL  46   5.375   2.881  -2.384
  376    HA   VAL  46           HA       VAL  46   7.031   4.158  -4.482
  377    HB   VAL  46           HB       VAL  46   4.007   4.155  -4.062
  378   1HG1  VAL  46          3HG1      VAL  46   5.753   5.310  -6.276
  379   2HG1  VAL  46          1HG1      VAL  46   3.980   5.240  -6.306
  380   3HG1  VAL  46          2HG1      VAL  46   4.796   6.231  -5.092
  381   1HG2  VAL  46          2HG2      VAL  46   5.700   2.678  -6.114
  382   2HG2  VAL  46          3HG2      VAL  46   4.647   1.962  -4.870
  383   3HG2  VAL  46          1HG2      VAL  46   3.935   2.874  -6.200
  384    H    ASP  47           H        ASP  47   8.180   5.659  -3.339
  385    HA   ASP  47           HA       ASP  47   7.304   6.984  -0.991
  386   1HB   ASP  47          1HB       ASP  47   9.662   6.594  -1.748
  387   2HB   ASP  47          2HB       ASP  47   9.449   7.870  -2.950
  388    H    ILE  48           H        ILE  48   5.840   8.571  -0.800
  389    HA   ILE  48           HA       ILE  48   5.047  10.187  -3.166
  390    HB   ILE  48           HB       ILE  48   3.221  11.013  -1.775
  391   1HG1  ILE  48          1HG1      ILE  48   3.837   8.956   0.354
  392   2HG1  ILE  48          2HG1      ILE  48   4.424  10.609   0.491
  393   1HG2  ILE  48          3HG2      ILE  48   2.974   9.007  -3.224
  394   2HG2  ILE  48          1HG2      ILE  48   3.472   7.958  -1.885
  395   3HG2  ILE  48          2HG2      ILE  48   1.951   8.860  -1.783
  396   1HD1  ILE  48          3HD1      ILE  48   1.992  11.364   0.220
  397   2HD1  ILE  48          1HD1      ILE  48   1.538   9.656   0.380
  398   3HD1  ILE  48          2HD1      ILE  48   2.375  10.479   1.709
  399    H    THR  49           H        THR  49   7.358  10.519  -0.692
  400    HA   THR  49           HA       THR  49   7.209  13.485  -0.886
  401    HB   THR  49           HB       THR  49   6.347  12.584   1.261
  402    HG1  THR  49           HG1      THR  49   8.593  14.246   1.145
  403   1HG2  THR  49          1HG2      THR  49   9.181  11.633   1.700
  404   2HG2  THR  49          2HG2      THR  49   7.946  11.801   2.957
  405   3HG2  THR  49          3HG2      THR  49   7.721  10.660   1.599
  406    H    ALA  50           H        ALA  50   8.793  11.129  -2.224
  407    HA   ALA  50           HA       ALA  50  11.521  12.134  -1.940
  408   1HB   ALA  50          2HB       ALA  50  11.009   9.919  -2.976
  409   2HB   ALA  50          3HB       ALA  50  10.185  10.732  -4.309
  410   3HB   ALA  50          1HB       ALA  50  11.925  10.996  -4.047
  411    H    THR  51           H        THR  51   8.857  12.564  -4.344
  412    HA   THR  51           HA       THR  51   9.861  15.296  -4.992
  413    HB   THR  51           HB       THR  51   9.758  14.468  -7.426
  414    HG1  THR  51           HG1      THR  51  10.522  11.972  -6.658
  415   1HG2  THR  51          1HG2      THR  51  11.922  14.881  -6.207
  416   2HG2  THR  51          2HG2      THR  51  11.942  13.186  -5.722
  417   3HG2  THR  51          3HG2      THR  51  12.020  13.617  -7.442
  418    H    ASN  52           H        ASN  52   7.187  12.894  -5.371
  419    HA   ASN  52           HA       ASN  52   5.886  14.672  -7.207
  420   1HB   ASN  52          1HB       ASN  52   6.006  12.048  -7.178
  421   2HB   ASN  52          2HB       ASN  52   4.558  12.175  -6.181
  422   1HD2  ASN  52          2HD2      ASN  52   4.463  13.304 -10.171
  423   2HD2  ASN  52          1HD2      ASN  52   5.990  12.931  -9.381
  424    H    HIS  53           H        HIS  53   5.888  15.572  -4.270
  425    HA   HIS  53           HA       HIS  53   4.520  16.883  -2.970
  426   1HB   HIS  53          1HB       HIS  53   3.922  17.712  -5.291
  427   2HB   HIS  53          2HB       HIS  53   2.433  16.800  -5.136
  428    HD1  HIS  53          1HD       HIS  53   2.925  18.188  -1.774
  429    HD2  HIS  53          2HD       HIS  53   1.875  19.616  -5.591
  430    HE1  HIS  53          1HE       HIS  53   1.583  20.327  -1.401
  431    H    THR  54           H        THR  54   4.542  15.159  -1.499
  432    HA   THR  54           HA       THR  54   2.728  13.111  -1.233
  433    HB   THR  54           HB       THR  54   4.241  12.814   0.362
  434    HG1  THR  54           HG1      THR  54   2.264  12.847   1.542
  435   1HG2  THR  54          1HG2      THR  54   5.398  14.908   0.158
  436   2HG2  THR  54          2HG2      THR  54   4.126  15.687   1.170
  437   3HG2  THR  54          3HG2      THR  54   5.171  14.430   1.853
  438    H    ASN  55           H        ASN  55   2.560  16.212   0.284
  439    HA   ASN  55           HA       ASN  55   0.146  16.031   1.548
  440   1HB   ASN  55          1HB       ASN  55   1.875  18.032   1.393
  441   2HB   ASN  55          2HB       ASN  55   0.712  18.693   0.236
  442   1HD2  ASN  55          2HD2      ASN  55  -0.272  20.132   3.458
  443   2HD2  ASN  55          1HD2      ASN  55   0.771  20.429   2.090
  444    H    GLU  56           H        GLU  56   0.358  17.171  -2.009
  445    HA   GLU  56           HA       GLU  56  -2.328  17.457  -2.477
  446   1HB   GLU  56          1HB       GLU  56  -0.138  18.204  -3.484
  447   2HB   GLU  56          2HB       GLU  56   0.138  16.593  -4.121
  448   1HG   GLU  56          1HG       GLU  56  -2.226  18.311  -4.718
  449   2HG   GLU  56          2HG       GLU  56  -0.652  18.440  -5.553
  450    H    ILE  57           H        ILE  57  -0.100  14.670  -2.814
  451    HA   ILE  57           HA       ILE  57  -1.978  12.822  -3.934
  452    HB   ILE  57           HB       ILE  57   0.764  12.772  -2.689
  453   1HG1  ILE  57          1HG1      ILE  57  -0.246  11.581  -5.292
  454   2HG1  ILE  57          2HG1      ILE  57   0.188  13.285  -5.118
  455   1HG2  ILE  57          1HG2      ILE  57  -0.979  10.334  -2.890
  456   2HG2  ILE  57          2HG2      ILE  57   0.765  10.220  -3.122
  457   3HG2  ILE  57          3HG2      ILE  57   0.114  10.842  -1.601
  458   1HD1  ILE  57          3HD1      ILE  57   2.472  12.618  -4.338
  459   2HD1  ILE  57          1HD1      ILE  57   2.076  10.934  -4.748
  460   3HD1  ILE  57          2HD1      ILE  57   2.080  12.179  -6.006
  461    H    GLN  58           H        GLN  58  -1.171  13.709  -0.606
  462    HA   GLN  58           HA       GLN  58  -2.497  11.501   0.685
  463   1HB   GLN  58          1HB       GLN  58  -1.365  14.234   1.477
  464   2HB   GLN  58          2HB       GLN  58  -2.445  13.400   2.569
  465   1HG   GLN  58          1HG       GLN  58  -0.824  11.339   2.277
  466   2HG   GLN  58          2HG       GLN  58   0.298  12.570   1.698
  467   1HE2  GLN  58          2HE2      GLN  58  -0.526  12.313   5.689
  468   2HE2  GLN  58          1HE2      GLN  58  -1.259  11.219   4.525
  469    H    ASP  59           H        ASP  59  -3.374  14.810  -0.275
  470    HA   ASP  59           HA       ASP  59  -6.102  14.790   0.649
  471   1HB   ASP  59          1HB       ASP  59  -4.302  16.534  -0.926
  472   2HB   ASP  59          2HB       ASP  59  -5.962  16.619  -1.419
  473    H    TYR  60           H        TYR  60  -4.720  14.072  -2.556
  474    HA   TYR  60           HA       TYR  60  -7.139  13.199  -3.723
  475   1HB   TYR  60          1HB       TYR  60  -5.038  13.643  -4.906
  476   2HB   TYR  60          2HB       TYR  60  -4.297  12.233  -4.156
  477    HD1  TYR  60          2HD       TYR  60  -7.161  13.263  -6.341
  478    HD2  TYR  60          1HD       TYR  60  -4.400  10.131  -5.250
  479    HE1  TYR  60          2HE       TYR  60  -8.006  11.894  -8.190
  480    HE2  TYR  60          1HE       TYR  60  -5.187   8.773  -7.177
  481    HH   TYR  60           HH       TYR  60  -7.846   9.877  -9.324
  482    H    LEU  61           H        LEU  61  -4.811  11.326  -1.770
  483    HA   LEU  61           HA       LEU  61  -6.077   8.795  -2.043
  484   1HB   LEU  61          1HB       LEU  61  -4.203   9.998   0.011
  485   2HB   LEU  61          2HB       LEU  61  -4.843   8.388   0.243
  486    HG   LEU  61           HG       LEU  61  -3.389   9.149  -2.323
  487   1HD1  LEU  61          1HD1      LEU  61  -2.219   8.235   0.337
  488   2HD1  LEU  61          2HD1      LEU  61  -1.370   8.066  -1.225
  489   3HD1  LEU  61          3HD1      LEU  61  -1.816   9.659  -0.605
  490   1HD2  LEU  61          2HD2      LEU  61  -4.052   6.515  -0.956
  491   2HD2  LEU  61          3HD2      LEU  61  -4.688   7.133  -2.480
  492   3HD2  LEU  61          1HD2      LEU  61  -2.982   6.691  -2.376
  493    H    GLN  62           H        GLN  62  -6.686  11.475   0.242
  494    HA   GLN  62           HA       GLN  62  -8.425  10.048   1.988
  495   1HB   GLN  62          1HB       GLN  62  -7.536  12.404   2.307
  496   2HB   GLN  62          2HB       GLN  62  -8.757  12.953   1.149
  497   1HG   GLN  62          1HG       GLN  62 -10.476  11.754   2.697
  498   2HG   GLN  62          2HG       GLN  62  -9.181  11.708   3.891
  499   1HE2  GLN  62          2HE2      GLN  62  -9.203  15.466   4.009
  500   2HE2  GLN  62          1HE2      GLN  62  -7.991  14.235   3.740
  501    H    GLN  63           H        GLN  63  -9.025  11.793  -1.092
  502    HA   GLN  63           HA       GLN  63 -11.820  11.129  -1.104
  503   1HB   GLN  63          1HB       GLN  63 -10.263  12.863  -2.546
  504   2HB   GLN  63          2HB       GLN  63 -10.407  11.548  -3.705
  505   1HG   GLN  63          1HG       GLN  63 -12.297  12.752  -4.247
  506   2HG   GLN  63          2HG       GLN  63 -13.007  11.708  -3.036
  507   1HE2  GLN  63          2HE2      GLN  63 -13.155  14.475  -0.577
  508   2HE2  GLN  63          1HE2      GLN  63 -13.093  12.726  -0.671
  509    H    LEU  64           H        LEU  64  -9.017   9.711  -2.839
  510    HA   LEU  64           HA       LEU  64 -10.554   7.841  -4.258
  511   1HB   LEU  64          1HB       LEU  64  -8.491   8.413  -5.184
  512   2HB   LEU  64          2HB       LEU  64  -7.647   8.208  -3.660
  513    HG   LEU  64           HG       LEU  64  -7.826   5.717  -3.874
  514   1HD1  LEU  64          3HD1      LEU  64  -8.795   6.408  -6.695
  515   2HD1  LEU  64          1HD1      LEU  64  -8.235   4.805  -6.168
  516   3HD1  LEU  64          2HD1      LEU  64  -9.692   5.492  -5.474
  517   1HD2  LEU  64          1HD2      LEU  64  -5.808   7.026  -4.534
  518   2HD2  LEU  64          2HD2      LEU  64  -6.025   5.569  -5.520
  519   3HD2  LEU  64          3HD2      LEU  64  -6.466   7.155  -6.179
  520    H    THR  65           H        THR  65  -9.169   7.547  -1.007
  521    HA   THR  65           HA       THR  65 -10.090   4.699  -0.934
  522    HB   THR  65           HB       THR  65  -8.305   4.188   0.524
  523    HG1  THR  65           HG1      THR  65  -7.615   6.954   0.488
  524   1HG2  THR  65          2HG2      THR  65  -7.740   4.305  -1.907
  525   2HG2  THR  65          3HG2      THR  65  -7.081   5.942  -1.644
  526   3HG2  THR  65          1HG2      THR  65  -6.347   4.554  -0.829
  527    H    GLY  66           H        GLY  66 -10.261   7.816   0.763
  528   1HA   GLY  66          1HA       GLY  66 -12.262   8.053   2.152
  529   2HA   GLY  66          2HA       GLY  66 -11.799   6.561   2.969
  530    H    ALA  67           H        ALA  67  -8.848   7.181   2.860
  531    HA   ALA  67           HA       ALA  67  -8.687   9.415   4.817
  532   1HB   ALA  67          3HB       ALA  67  -7.738   6.553   5.192
  533   2HB   ALA  67          1HB       ALA  67  -7.402   7.897   6.309
  534   3HB   ALA  67          2HB       ALA  67  -9.062   7.331   6.059
  535    H    ARG  68           H        ARG  68  -6.551  10.102   5.289
  536    HA   ARG  68           HA       ARG  68  -4.837  10.027   2.866
  537   1HB   ARG  68          1HB       ARG  68  -4.134  12.148   3.430
  538   2HB   ARG  68          2HB       ARG  68  -5.820  12.148   3.946
  539   1HG   ARG  68          1HG       ARG  68  -4.912  11.636   6.305
  540   2HG   ARG  68          2HG       ARG  68  -3.313  11.998   5.667
  541   1HD   ARG  68          1HD       ARG  68  -5.672  13.866   5.946
  542   2HD   ARG  68          2HD       ARG  68  -4.104  13.949   6.752
  543    HE   ARG  68           HE       ARG  68  -4.718  14.482   3.898
  544   1HH1  ARG  68          2HH2      ARG  68  -2.868  15.425   6.737
  545   2HH1  ARG  68          1HH2      ARG  68  -1.822  16.525   5.905
  546   1HH2  ARG  68          2HH1      ARG  68  -3.425  16.022   2.756
  547   2HH2  ARG  68          1HH1      ARG  68  -2.154  16.858   3.556
  548    H    THR  69           H        THR  69  -4.804   8.331   5.799
  549    HA   THR  69           HA       THR  69  -2.194   8.974   6.753
  550    HB   THR  69           HB       THR  69  -2.596   6.855   8.098
  551    HG1  THR  69           HG1      THR  69  -4.571   5.872   7.925
  552   1HG2  THR  69          2HG2      THR  69  -3.340   9.122   8.884
  553   2HG2  THR  69          3HG2      THR  69  -4.918   8.848   8.116
  554   3HG2  THR  69          1HG2      THR  69  -4.396   7.815   9.459
  555    H    VAL  70           H        VAL  70  -0.265   8.073   6.342
  556    HA   VAL  70           HA       VAL  70  -0.080   5.958   4.268
  557    HB   VAL  70           HB       VAL  70   2.438   6.746   4.398
  558   1HG1  VAL  70          2HG1      VAL  70   0.961   6.833   2.422
  559   2HG1  VAL  70          3HG1      VAL  70   0.339   8.410   2.963
  560   3HG1  VAL  70          1HG1      VAL  70   2.061   8.210   2.522
  561   1HG2  VAL  70          3HG2      VAL  70   2.132   8.416   6.233
  562   2HG2  VAL  70          1HG2      VAL  70   2.706   9.164   4.725
  563   3HG2  VAL  70          2HG2      VAL  70   1.023   9.347   5.198
  564    HA   PRO  71           HA       PRO  71   1.893   4.357   3.788
  565   1HB   PRO  71          1HB       PRO  71   1.809   1.606   4.158
  566   2HB   PRO  71          2HB       PRO  71   3.239   2.616   4.504
  567   1HG   PRO  71          1HG       PRO  71   1.174   1.622   6.462
  568   2HG   PRO  71          2HG       PRO  71   2.956   1.650   6.619
  569   1HD   PRO  71          1HD       PRO  71   1.403   3.538   7.749
  570   2HD   PRO  71          2HD       PRO  71   2.999   3.934   7.052
  571    H    ARG  72           H        ARG  72   0.346   3.992   2.176
  572    HA   ARG  72           HA       ARG  72  -2.418   3.069   2.966
  573   1HB   ARG  72          1HB       ARG  72  -1.387   4.510   0.481
  574   2HB   ARG  72          2HB       ARG  72  -2.954   3.735   0.545
  575   1HG   ARG  72          1HG       ARG  72  -2.223   6.003   2.425
  576   2HG   ARG  72          2HG       ARG  72  -2.756   6.238   0.792
  577   1HD   ARG  72          1HD       ARG  72  -4.771   6.474   1.771
  578   2HD   ARG  72          2HD       ARG  72  -4.821   4.748   1.406
  579    HE   ARG  72           HE       ARG  72  -3.743   5.490   4.023
  580   1HH1  ARG  72          2HH2      ARG  72  -6.827   4.966   2.299
  581   2HH1  ARG  72          1HH2      ARG  72  -7.635   4.295   3.691
  582   1HH2  ARG  72          2HH1      ARG  72  -5.035   5.097   5.925
  583   2HH2  ARG  72          1HH1      ARG  72  -6.631   4.437   5.767
  584    H    VAL  73           H        VAL  73  -2.461   0.829   2.726
  585    HA   VAL  73           HA       VAL  73  -0.781  -0.395   0.593
  586    HB   VAL  73           HB       VAL  73  -2.461  -1.540   2.848
  587   1HG1  VAL  73          1HG1      VAL  73  -1.104  -3.037   0.533
  588   2HG1  VAL  73          2HG1      VAL  73  -1.750  -3.818   1.992
  589   3HG1  VAL  73          3HG1      VAL  73  -2.833  -3.011   0.879
  590   1HG2  VAL  73          1HG2      VAL  73  -0.234  -0.679   3.429
  591   2HG2  VAL  73          2HG2      VAL  73  -0.312  -2.432   3.582
  592   3HG2  VAL  73          3HG2      VAL  73   0.498  -1.693   2.193
  593    H    PHE  74           H        PHE  74  -1.629  -0.755  -1.358
  594    HA   PHE  74           HA       PHE  74  -4.530  -1.234  -1.566
  595   1HB   PHE  74          1HB       PHE  74  -2.603  -0.176  -3.651
  596   2HB   PHE  74          2HB       PHE  74  -4.176  -0.858  -3.994
  597    HD1  PHE  74          1HD       PHE  74  -2.709   1.885  -1.822
  598    HD2  PHE  74          2HD       PHE  74  -5.927   0.621  -4.405
  599    HE1  PHE  74          1HE       PHE  74  -3.585   4.193  -1.881
  600    HE2  PHE  74          2HE       PHE  74  -6.779   2.937  -4.480
  601    HZ   PHE  74           HZ       PHE  74  -5.561   4.743  -3.271
  602    H    ILE  75           H        ILE  75  -5.029  -3.179  -2.315
  603    HA   ILE  75           HA       ILE  75  -2.943  -5.001  -3.360
  604    HB   ILE  75           HB       ILE  75  -4.753  -5.259  -1.031
  605   1HG1  ILE  75          1HG1      ILE  75  -3.290  -7.370  -0.694
  606   2HG1  ILE  75          2HG1      ILE  75  -2.297  -6.675  -1.992
  607   1HG2  ILE  75          1HG2      ILE  75  -4.670  -7.519  -3.096
  608   2HG2  ILE  75          2HG2      ILE  75  -5.302  -7.646  -1.453
  609   3HG2  ILE  75          3HG2      ILE  75  -6.126  -6.612  -2.617
  610   1HD1  ILE  75          3HD1      ILE  75  -2.064  -4.675  -0.589
  611   2HD1  ILE  75          1HD1      ILE  75  -2.991  -5.504   0.700
  612   3HD1  ILE  75          2HD1      ILE  75  -1.420  -6.146   0.174
  613    H    GLY  76           H        GLY  76  -3.389  -5.089  -5.514
  614   1HA   GLY  76          1HA       GLY  76  -4.444  -4.971  -7.500
  615   2HA   GLY  76          2HA       GLY  76  -5.673  -5.966  -6.750
  616    H    LYS  77           H        LYS  77  -4.728  -2.565  -7.232
  617    HA   LYS  77           HA       LYS  77  -5.755  -0.592  -6.975
  618   1HB   LYS  77          1HB       LYS  77  -7.123  -2.145  -9.014
  619   2HB   LYS  77          2HB       LYS  77  -8.175  -0.936  -8.355
  620   1HG   LYS  77          1HG       LYS  77  -5.354  -0.122  -9.084
  621   2HG   LYS  77          2HG       LYS  77  -6.492  -0.446 -10.367
  622   1HD   LYS  77          1HD       LYS  77  -8.011   1.298  -9.622
  623   2HD   LYS  77          2HD       LYS  77  -7.157   1.450  -8.086
  624   1HE   LYS  77          1HE       LYS  77  -6.554   3.365  -9.353
  625   2HE   LYS  77          2HE       LYS  77  -5.141   2.310  -9.312
  626   1HZ   LYS  77          3HZ       LYS  77  -6.050   1.547 -11.600
  627   2HZ   LYS  77          1HZ       LYS  77  -6.846   2.971 -11.581
  628   3HZ   LYS  77          2HZ       LYS  77  -5.219   2.969 -11.439
  629    H    ASP  78           H        ASP  78  -6.846  -2.834  -4.887
  630    HA   ASP  78           HA       ASP  78  -9.015  -1.064  -3.920
  631   1HB   ASP  78          1HB       ASP  78  -9.139  -3.697  -4.513
  632   2HB   ASP  78          2HB       ASP  78  -8.658  -3.817  -2.822
  633    H    CYS  79           H        CYS  79  -8.471   0.229  -2.246
  634    HA   CYS  79           HA       CYS  79  -5.968  -0.052  -0.793
  635   1HB   CYS  79          1HB       CYS  79  -7.056   2.127  -1.378
  636   2HB   CYS  79          2HB       CYS  79  -8.329   1.761  -0.192
  637    HG   CYS  79           HG       CYS  79  -6.901   1.726   1.877
  638    H    ILE  80           H        ILE  80  -5.726  -1.452   1.018
  639    HA   ILE  80           HA       ILE  80  -8.153  -2.572   2.209
  640    HB   ILE  80           HB       ILE  80  -6.755  -4.054   3.262
  641   1HG1  ILE  80          1HG1      ILE  80  -4.128  -3.797   2.781
  642   2HG1  ILE  80          2HG1      ILE  80  -4.562  -2.082   2.773
  643   1HG2  ILE  80          2HG2      ILE  80  -7.061  -4.394   0.810
  644   2HG2  ILE  80          3HG2      ILE  80  -5.465  -3.668   0.541
  645   3HG2  ILE  80          1HG2      ILE  80  -5.616  -5.175   1.471
  646   1HD1  ILE  80          2HD1      ILE  80  -5.650  -2.513   5.073
  647   2HD1  ILE  80          3HD1      ILE  80  -4.931  -4.128   4.977
  648   3HD1  ILE  80          1HD1      ILE  80  -3.891  -2.682   4.991
  649    H    GLY  81           H        GLY  81  -5.806  -0.078   2.803
  650   1HA   GLY  81          1HA       GLY  81  -6.967   1.708   4.323
  651   2HA   GLY  81          2HA       GLY  81  -6.886   0.409   5.516
  652    H    GLY  82           H        GLY  82  -5.564   1.779   6.772
  653   1HA   GLY  82          1HA       GLY  82  -2.824   2.337   5.771
  654   2HA   GLY  82          2HA       GLY  82  -3.569   3.166   7.133
  655    H    CYS  83           H        CYS  83  -1.735   2.543   8.558
  656    HA   CYS  83           HA       CYS  83  -0.639  -0.093   8.319
  657   1HB   CYS  83          1HB       CYS  83   0.388   2.276   9.112
  658   2HB   CYS  83          2HB       CYS  83  -0.055   1.654  10.707
  659    HG   CYS  83           HG       CYS  83   1.772   0.228   8.321
  660    H    SER  84           H        SER  84  -2.945   1.510  10.513
  661    HA   SER  84           HA       SER  84  -2.837  -0.576  12.427
  662   1HB   SER  84          1HB       SER  84  -3.567   1.768  12.849
  663   2HB   SER  84          2HB       SER  84  -5.046   1.465  11.919
  664    HG   SER  84           HG       SER  84  -5.348   1.312  14.144
  665    H    ASP  85           H        ASP  85  -4.759   0.017   9.533
  666    HA   ASP  85           HA       ASP  85  -6.693  -2.110   9.876
  667   1HB   ASP  85          1HB       ASP  85  -5.649  -0.764   7.334
  668   2HB   ASP  85          2HB       ASP  85  -7.045  -1.827   7.436
  669    H    LEU  86           H        LEU  86  -3.694  -1.698   7.966
  670    HA   LEU  86           HA       LEU  86  -3.411  -4.221   6.920
  671   1HB   LEU  86          1HB       LEU  86  -1.999  -2.241   6.359
  672   2HB   LEU  86          2HB       LEU  86  -1.210  -2.379   7.931
  673    HG   LEU  86           HG       LEU  86  -0.424  -4.700   7.267
  674   1HD1  LEU  86          3HD1      LEU  86  -1.623  -3.892   4.588
  675   2HD1  LEU  86          1HD1      LEU  86  -0.444  -5.210   4.808
  676   3HD1  LEU  86          2HD1      LEU  86  -2.026  -5.303   5.575
  677   1HD2  LEU  86          1HD2      LEU  86   0.438  -2.293   5.649
  678   2HD2  LEU  86          2HD2      LEU  86   1.057  -2.843   7.208
  679   3HD2  LEU  86          3HD2      LEU  86   1.352  -3.822   5.761
  680    H    VAL  87           H        VAL  87  -2.171  -3.168  10.244
  681    HA   VAL  87           HA       VAL  87  -0.938  -5.596  10.820
  682    HB   VAL  87           HB       VAL  87  -2.137  -3.276  12.372
  683   1HG1  VAL  87          1HG1      VAL  87  -0.885  -5.778  13.533
  684   2HG1  VAL  87          2HG1      VAL  87  -1.117  -4.246  14.422
  685   3HG1  VAL  87          3HG1      VAL  87  -2.524  -5.146  13.833
  686   1HG2  VAL  87          2HG2      VAL  87   0.092  -3.033  11.187
  687   2HG2  VAL  87          3HG2      VAL  87   0.202  -2.853  12.952
  688   3HG2  VAL  87          1HG2      VAL  87   0.709  -4.361  12.180
  689    H    SER  88           H        SER  88  -4.448  -4.592  11.108
  690    HA   SER  88           HA       SER  88  -5.132  -6.947  12.680
  691   1HB   SER  88          1HB       SER  88  -6.651  -4.839  11.147
  692   2HB   SER  88          2HB       SER  88  -7.361  -6.451  11.119
  693    HG   SER  88           HG       SER  88  -6.556  -5.154  13.482
  694    H    LEU  89           H        LEU  89  -5.349  -6.030   9.178
  695    HA   LEU  89           HA       LEU  89  -6.431  -8.503   8.365
  696   1HB   LEU  89          1HB       LEU  89  -4.769  -6.486   6.802
  697   2HB   LEU  89          2HB       LEU  89  -5.403  -7.956   6.128
  698    HG   LEU  89           HG       LEU  89  -7.738  -7.176   6.950
  699   1HD1  LEU  89          2HD1      LEU  89  -6.178  -4.576   6.811
  700   2HD1  LEU  89          3HD1      LEU  89  -7.916  -4.643   6.533
  701   3HD1  LEU  89          1HD1      LEU  89  -7.270  -5.157   8.091
  702   1HD2  LEU  89          1HD2      LEU  89  -6.284  -6.084   4.501
  703   2HD2  LEU  89          2HD2      LEU  89  -7.148  -7.634   4.632
  704   3HD2  LEU  89          3HD2      LEU  89  -8.051  -6.122   4.710
  705    H    GLN  90           H        GLN  90  -2.977  -7.575   8.894
  706    HA   GLN  90           HA       GLN  90  -1.988 -10.098   7.936
  707   1HB   GLN  90          1HB       GLN  90  -0.637  -8.034   8.122
  708   2HB   GLN  90          2HB       GLN  90  -0.762  -8.100   9.872
  709   1HG   GLN  90          1HG       GLN  90   0.203 -10.673   8.855
  710   2HG   GLN  90          2HG       GLN  90   1.152  -9.382   8.156
  711   1HE2  GLN  90          2HE2      GLN  90   2.051 -10.451  11.854
  712   2HE2  GLN  90          1HE2      GLN  90   1.116 -11.462  10.740
  713    H    GLN  91           H        GLN  91  -2.517  -8.914  11.355
  714    HA   GLN  91           HA       GLN  91  -1.678 -11.317  12.513
  715   1HB   GLN  91          1HB       GLN  91  -2.364  -8.649  13.259
  716   2HB   GLN  91          2HB       GLN  91  -3.449  -9.632  14.184
  717   1HG   GLN  91          1HG       GLN  91  -0.508 -10.345  14.100
  718   2HG   GLN  91          2HG       GLN  91  -1.002  -8.875  14.904
  719   1HE2  GLN  91          2HE2      GLN  91  -2.598 -12.242  16.655
  720   2HE2  GLN  91          1HE2      GLN  91  -2.721 -12.153  14.910
  721    H    SER  92           H        SER  92  -4.892 -10.248  11.542
  722    HA   SER  92           HA       SER  92  -6.330 -12.510  12.746
  723   1HB   SER  92          1HB       SER  92  -7.153 -10.074  12.495
  724   2HB   SER  92          2HB       SER  92  -7.286 -10.395  10.762
  725    HG   SER  92           HG       SER  92  -8.996 -11.560  11.068
  726    H    GLY  93           H        GLY  93  -4.495 -11.841   9.879
  727   1HA   GLY  93          1HA       GLY  93  -4.033 -13.183   8.118
  728   2HA   GLY  93          2HA       GLY  93  -5.253 -14.346   8.646
  729    H    GLU  94           H        GLU  94  -6.676 -11.053   8.326
  730    HA   GLU  94           HA       GLU  94  -8.267 -12.104   6.175
  731   1HB   GLU  94          1HB       GLU  94  -8.083  -9.706   7.946
  732   2HB   GLU  94          2HB       GLU  94  -8.589  -9.325   6.311
  733   1HG   GLU  94          1HG       GLU  94 -10.507  -9.734   7.784
  734   2HG   GLU  94          2HG       GLU  94 -10.457 -10.905   6.470
  735    H    LEU  95           H        LEU  95  -5.276 -10.397   6.393
  736    HA   LEU  95           HA       LEU  95  -5.091  -9.173   3.849
  737   1HB   LEU  95          1HB       LEU  95  -3.555  -8.864   5.886
  738   2HB   LEU  95          2HB       LEU  95  -2.838 -10.409   5.507
  739    HG   LEU  95           HG       LEU  95  -1.952  -9.488   3.422
  740   1HD1  LEU  95          1HD1      LEU  95  -3.445  -6.933   4.183
  741   2HD1  LEU  95          2HD1      LEU  95  -2.183  -7.029   2.935
  742   3HD1  LEU  95          3HD1      LEU  95  -3.686  -7.919   2.718
  743   1HD2  LEU  95          2HD2      LEU  95  -0.698  -9.183   5.530
  744   2HD2  LEU  95          3HD2      LEU  95  -0.427  -7.818   4.446
  745   3HD2  LEU  95          1HD2      LEU  95  -1.529  -7.648   5.822
  746    H    LEU  96           H        LEU  96  -4.611 -12.544   4.889
  747    HA   LEU  96           HA       LEU  96  -2.973 -13.285   2.629
  748   1HB   LEU  96          1HB       LEU  96  -4.543 -14.850   4.716
  749   2HB   LEU  96          2HB       LEU  96  -3.920 -15.665   3.305
  750    HG   LEU  96           HG       LEU  96  -2.466 -15.917   5.251
  751   1HD1  LEU  96          2HD1      LEU  96  -1.554 -16.054   2.945
  752   2HD1  LEU  96          3HD1      LEU  96  -1.077 -14.341   3.048
  753   3HD1  LEU  96          1HD1      LEU  96  -0.360 -15.543   4.139
  754   1HD2  LEU  96          2HD2      LEU  96  -2.789 -13.689   6.298
  755   2HD2  LEU  96          3HD2      LEU  96  -1.086 -14.131   6.122
  756   3HD2  LEU  96          1HD2      LEU  96  -1.806 -12.953   5.011
  757    H    THR  97           H        THR  97  -6.519 -13.658   3.344
  758    HA   THR  97           HA       THR  97  -7.110 -14.735   0.764
  759    HB   THR  97           HB       THR  97  -8.990 -12.917   2.310
  760    HG1  THR  97           HG1      THR  97  -8.062 -15.454   3.166
  761   1HG2  THR  97          1HG2      THR  97  -9.780 -14.040   0.241
  762   2HG2  THR  97          2HG2      THR  97  -9.449 -15.614   0.994
  763   3HG2  THR  97          3HG2      THR  97 -10.686 -14.537   1.681
  764    H    ARG  98           H        ARG  98  -7.089 -11.337   2.007
  765    HA   ARG  98           HA       ARG  98  -8.030 -10.102  -0.331
  766   1HB   ARG  98          1HB       ARG  98  -6.781  -9.278   2.153
  767   2HB   ARG  98          2HB       ARG  98  -5.970  -8.431   0.854
  768   1HG   ARG  98          1HG       ARG  98  -8.980  -8.472   1.340
  769   2HG   ARG  98          2HG       ARG  98  -7.873  -7.180   1.800
  770   1HD   ARG  98          1HD       ARG  98  -8.183  -6.201  -0.205
  771   2HD   ARG  98          2HD       ARG  98  -7.326  -7.537  -0.913
  772    HE   ARG  98           HE       ARG  98  -9.170  -8.198  -1.974
  773   1HH1  ARG  98          2HH2      ARG  98 -10.425  -6.395   0.852
  774   2HH1  ARG  98          1HH2      ARG  98 -12.059  -6.924   0.563
  775   1HH2  ARG  98          2HH1      ARG  98 -11.230  -8.536  -2.469
  776   2HH2  ARG  98          1HH1      ARG  98 -12.558  -8.041  -1.470
  777    H    LEU  99           H        LEU  99  -4.643 -10.956   0.503
  778    HA   LEU  99           HA       LEU  99  -3.553  -9.974  -1.986
  779   1HB   LEU  99          1HB       LEU  99  -2.682 -11.891   0.224
  780   2HB   LEU  99          2HB       LEU  99  -1.666 -11.622  -1.182
  781    HG   LEU  99           HG       LEU  99  -2.492  -9.335   0.619
  782   1HD1  LEU  99          3HD1      LEU  99  -0.002 -11.116   0.710
  783   2HD1  LEU  99          1HD1      LEU  99  -0.254  -9.631   1.662
  784   3HD1  LEU  99          2HD1      LEU  99  -1.276 -11.053   1.931
  785   1HD2  LEU  99          2HD2      LEU  99  -0.267  -9.778  -1.425
  786   2HD2  LEU  99          3HD2      LEU  99  -1.690  -8.797  -1.685
  787   3HD2  LEU  99          1HD2      LEU  99  -0.496  -8.303  -0.459
  788    H    LYS 100           H        LYS 100  -4.257 -13.364  -0.881
  789    HA   LYS 100           HA       LYS 100  -3.579 -14.494  -3.375
  790   1HB   LYS 100          1HB       LYS 100  -5.293 -15.337  -1.018
  791   2HB   LYS 100          2HB       LYS 100  -5.373 -16.290  -2.465
  792   1HG   LYS 100          1HG       LYS 100  -2.611 -15.870  -2.251
  793   2HG   LYS 100          2HG       LYS 100  -3.103 -15.862  -0.568
  794   1HD   LYS 100          1HD       LYS 100  -2.530 -18.130  -1.082
  795   2HD   LYS 100          2HD       LYS 100  -4.297 -18.115  -1.091
  796   1HE   LYS 100          1HE       LYS 100  -4.297 -17.909  -3.553
  797   2HE   LYS 100          2HE       LYS 100  -2.526 -17.770  -3.578
  798   1HZ   LYS 100          3HZ       LYS 100  -3.948 -20.126  -2.546
  799   2HZ   LYS 100          1HZ       LYS 100  -3.409 -20.015  -4.096
  800   3HZ   LYS 100          2HZ       LYS 100  -2.338 -19.998  -2.855
  801    H    GLN 101           H        GLN 101  -6.602 -12.956  -2.494
  802    HA   GLN 101           HA       GLN 101  -8.165 -13.714  -4.695
  803   1HB   GLN 101          1HB       GLN 101  -8.939 -12.250  -2.865
  804   2HB   GLN 101          2HB       GLN 101  -7.875 -10.959  -3.443
  805   1HG   GLN 101          1HG       GLN 101  -9.123 -10.869  -5.567
  806   2HG   GLN 101          2HG       GLN 101 -10.212 -12.139  -4.977
  807   1HE2  GLN 101          2HE2      GLN 101 -12.356  -9.674  -3.615
  808   2HE2  GLN 101          1HE2      GLN 101 -12.117 -11.272  -4.258
  809    H    ILE 102           H        ILE 102  -5.428 -11.269  -4.620
  810    HA   ILE 102           HA       ILE 102  -5.885 -10.776  -7.482
  811    HB   ILE 102           HB       ILE 102  -4.607  -8.903  -7.277
  812   1HG1  ILE 102          1HG1      ILE 102  -3.525  -8.862  -4.590
  813   2HG1  ILE 102          2HG1      ILE 102  -3.048 -10.342  -5.345
  814   1HG2  ILE 102          3HG2      ILE 102  -6.733  -8.754  -6.030
  815   2HG2  ILE 102          1HG2      ILE 102  -5.871  -9.156  -4.524
  816   3HG2  ILE 102          2HG2      ILE 102  -5.478  -7.670  -5.385
  817   1HD1  ILE 102          2HD1      ILE 102  -2.210  -9.058  -7.335
  818   2HD1  ILE 102          3HD1      ILE 102  -2.590  -7.559  -6.451
  819   3HD1  ILE 102          1HD1      ILE 102  -1.366  -8.695  -5.829
  820    H    GLY 103           H        GLY 103  -4.479 -13.337  -6.077
  821   1HA   GLY 103          1HA       GLY 103  -3.149 -14.954  -7.037
  822   2HA   GLY 103          2HA       GLY 103  -2.852 -13.886  -8.414
  823    H    ALA 104           H        ALA 104  -2.177 -13.258  -4.968
  824    HA   ALA 104           HA       ALA 104   0.665 -12.541  -5.538
  825   1HB   ALA 104          3HB       ALA 104  -1.224 -12.511  -3.087
  826   2HB   ALA 104          1HB       ALA 104   0.395 -11.817  -3.096
  827   3HB   ALA 104          2HB       ALA 104  -0.903 -11.098  -4.102
  828    H    LEU 105           H        LEU 105  -0.886 -14.659  -2.816
  829    HA   LEU 105           HA       LEU 105   1.759 -15.512  -2.315
  830   1HB   LEU 105          1HB       LEU 105  -0.785 -16.882  -1.583
  831   2HB   LEU 105          2HB       LEU 105   0.731 -17.103  -0.904
  832    HG   LEU 105           HG       LEU 105  -0.893 -15.906   0.576
  833   1HD1  LEU 105          1HD1      LEU 105   1.461 -15.982   1.082
  834   2HD1  LEU 105          2HD1      LEU 105   1.772 -14.560   0.040
  835   3HD1  LEU 105          3HD1      LEU 105   0.794 -14.403   1.522
  836   1HD2  LEU 105          2HD2      LEU 105  -1.709 -14.153  -1.071
  837   2HD2  LEU 105          3HD2      LEU 105  -1.160 -13.559   0.490
  838   3HD2  LEU 105          1HD2      LEU 105  -0.109 -13.389  -0.929
  839    H    GLN 106           H        GLN 106   2.628 -17.164  -2.965
  840    HA   GLN 106           HA       GLN 106   2.052 -17.878  -5.678
  841   1HB   GLN 106          2HB       GLN 106   4.290 -17.252  -4.592
  842   2HB   GLN 106          3HB       GLN 106   4.404 -18.949  -4.069
  843   1HG   GLN 106          2HG       GLN 106   4.199 -19.640  -6.450
  844   2HG   GLN 106          3HG       GLN 106   4.057 -17.948  -6.935
  845   1HE2  GLN 106          2HE2      GLN 106   7.763 -17.806  -5.640
  846   2HE2  GLN 106          1HE2      GLN 106   6.332 -17.241  -4.822
   
  No H/Q in entry =         846
  Start of MODEL   11
    1   1H    ALA   2          3H        ALA   2  -4.639  10.290  -7.509
    2   2H    ALA   2          1H        ALA   2  -3.200  10.143  -6.754
    3   3H    ALA   2          2H        ALA   2  -4.381  11.126  -6.108
    4    HA   ALA   2           HA       ALA   2  -4.225  12.625  -7.900
    5   1HB   ALA   2          2HB       ALA   2  -1.485  11.870  -6.788
    6   2HB   ALA   2          3HB       ALA   2  -1.907  13.392  -7.578
    7   3HB   ALA   2          1HB       ALA   2  -2.655  12.986  -6.024
    8    H    GLN   3           H        GLN   3  -4.098  12.728  -9.944
    9    HA   GLN   3           HA       GLN   3  -3.771  12.434 -12.069
   10   1HB   GLN   3          1HB       GLN   3  -2.404  14.174 -11.127
   11   2HB   GLN   3          2HB       GLN   3  -1.091  13.043 -10.817
   12   1HG   GLN   3          1HG       GLN   3  -0.796  12.737 -13.291
   13   2HG   GLN   3          2HG       GLN   3  -2.044  13.958 -13.559
   14   1HE2  GLN   3          2HE2      GLN   3   0.091  16.654 -12.310
   15   2HE2  GLN   3          1HE2      GLN   3  -1.596  16.168 -12.518
   16    H    GLU   4           H        GLU   4  -0.909  10.681 -10.729
   17    HA   GLU   4           HA       GLU   4  -1.130   8.535 -12.718
   18   1HB   GLU   4          1HB       GLU   4  -0.222  10.501 -14.019
   19   2HB   GLU   4          2HB       GLU   4   1.140  10.574 -12.902
   20   1HG   GLU   4          1HG       GLU   4   1.696   8.183 -13.559
   21   2HG   GLU   4          2HG       GLU   4   0.386   8.266 -14.748
   22    H    PHE   5           H        PHE   5   1.171  10.366 -10.567
   23    HA   PHE   5           HA       PHE   5   2.825   8.177 -10.029
   24   1HB   PHE   5          1HB       PHE   5   3.078  10.728  -9.583
   25   2HB   PHE   5          2HB       PHE   5   2.343  10.381  -8.023
   26    HD1  PHE   5          2HD       PHE   5   3.574   8.822  -6.407
   27    HD2  PHE   5          1HD       PHE   5   5.328  10.161 -10.119
   28    HE1  PHE   5          2HE       PHE   5   5.825   8.184  -5.590
   29    HE2  PHE   5          1HE       PHE   5   7.566   9.528  -9.291
   30    HZ   PHE   5           HZ       PHE   5   7.816   8.505  -7.025
   31    H    VAL   6           H        VAL   6  -0.279   9.040  -8.519
   32    HA   VAL   6           HA       VAL   6  -0.215   6.421  -7.129
   33    HB   VAL   6           HB       VAL   6  -2.078   8.807  -6.955
   34   1HG1  VAL   6          3HG1      VAL   6  -2.389   6.113  -5.590
   35   2HG1  VAL   6          1HG1      VAL   6  -3.273   7.579  -5.141
   36   3HG1  VAL   6          2HG1      VAL   6  -3.509   6.857  -6.740
   37   1HG2  VAL   6          1HG2      VAL   6   0.085   8.985  -5.748
   38   2HG2  VAL   6          2HG2      VAL   6  -1.304   8.935  -4.646
   39   3HG2  VAL   6          3HG2      VAL   6  -0.292   7.500  -4.877
   40    H    ASN   7           H        ASN   7  -2.317   8.356  -9.357
   41    HA   ASN   7           HA       ASN   7  -4.162   6.275  -9.538
   42   1HB   ASN   7          1HB       ASN   7  -3.782   8.629 -11.415
   43   2HB   ASN   7          2HB       ASN   7  -5.178   7.560 -11.413
   44   1HD2  ASN   7          2HD2      ASN   7  -6.550  10.215  -9.454
   45   2HD2  ASN   7          1HD2      ASN   7  -6.185   9.872 -11.104
   46    H    CYS   8           H        CYS   8  -1.237   6.488 -11.388
   47    HA   CYS   8           HA       CYS   8  -2.223   4.471 -13.363
   48   1HB   CYS   8          1HB       CYS   8  -1.171   6.515 -14.293
   49   2HB   CYS   8          2HB       CYS   8   0.291   6.197 -13.329
   50    HG   CYS   8           HG       CYS   8  -1.090   4.283 -15.637
   51    H    LYS   9           H        LYS   9  -0.134   5.052 -10.581
   52    HA   LYS   9           HA       LYS   9   1.583   2.780 -10.886
   53   1HB   LYS   9          1HB       LYS   9   1.170   4.941  -8.994
   54   2HB   LYS   9          2HB       LYS   9   1.267   3.431  -8.112
   55   1HG   LYS   9          1HG       LYS   9   3.464   4.446  -8.307
   56   2HG   LYS   9          2HG       LYS   9   3.413   2.894  -9.135
   57   1HD   LYS   9          1HD       LYS   9   3.176   4.127 -11.324
   58   2HD   LYS   9          2HD       LYS   9   3.328   5.662 -10.434
   59   1HE   LYS   9          1HE       LYS   9   5.567   5.071  -9.702
   60   2HE   LYS   9          2HE       LYS   9   5.365   3.405 -10.260
   61   1HZ   LYS   9          1HZ       LYS   9   5.284   4.227 -12.533
   62   2HZ   LYS   9          2HZ       LYS   9   5.562   5.782 -12.018
   63   3HZ   LYS   9          3HZ       LYS   9   6.683   4.581 -11.811
   64    H    ILE  10           H        ILE  10  -1.594   3.115  -9.101
   65    HA   ILE  10           HA       ILE  10  -1.345   0.503  -7.996
   66    HB   ILE  10           HB       ILE  10  -4.014   1.674  -8.746
   67   1HG1  ILE  10          1HG1      ILE  10  -3.089   2.601  -6.078
   68   2HG1  ILE  10          2HG1      ILE  10  -2.293   3.422  -7.399
   69   1HG2  ILE  10          3HG2      ILE  10  -2.930   0.196  -6.312
   70   2HG2  ILE  10          1HG2      ILE  10  -4.582   0.805  -6.464
   71   3HG2  ILE  10          2HG2      ILE  10  -3.991  -0.455  -7.579
   72   1HD1  ILE  10          3HD1      ILE  10  -5.288   3.113  -7.154
   73   2HD1  ILE  10          1HD1      ILE  10  -4.341   4.573  -6.762
   74   3HD1  ILE  10          2HD1      ILE  10  -4.410   3.983  -8.441
   75    H    GLN  11           H        GLN  11  -2.175  -1.573  -8.820
   76    HA   GLN  11           HA       GLN  11  -3.230  -1.508 -11.577
   77   1HB   GLN  11          1HB       GLN  11  -0.609  -2.517 -10.790
   78   2HB   GLN  11          2HB       GLN  11  -1.622  -3.840 -11.341
   79   1HG   GLN  11          1HG       GLN  11  -1.042  -3.383 -13.395
   80   2HG   GLN  11          2HG       GLN  11  -2.057  -1.946 -13.319
   81   1HE2  GLN  11          2HE2      GLN  11   0.775   0.072 -13.948
   82   2HE2  GLN  11          1HE2      GLN  11  -0.873  -0.379 -14.415
   83    HA   PRO  12           HA       PRO  12  -5.957  -4.510  -9.656
   84   1HB   PRO  12          1HB       PRO  12  -7.298  -5.437 -11.859
   85   2HB   PRO  12          2HB       PRO  12  -7.548  -3.794 -11.194
   86   1HG   PRO  12          1HG       PRO  12  -5.798  -4.598 -13.534
   87   2HG   PRO  12          2HG       PRO  12  -6.965  -3.248 -13.430
   88   1HD   PRO  12          1HD       PRO  12  -4.278  -2.926 -13.014
   89   2HD   PRO  12          2HD       PRO  12  -5.504  -1.937 -12.170
   90    H    GLY  13           H        GLY  13  -4.252  -5.844  -8.959
   91   1HA   GLY  13          1HA       GLY  13  -3.839  -8.323  -9.134
   92   2HA   GLY  13          2HA       GLY  13  -3.291  -7.914 -10.739
   93    H    LYS  14           H        LYS  14  -2.497  -5.488  -8.429
   94    HA   LYS  14           HA       LYS  14   0.221  -6.575  -7.920
   95   1HB   LYS  14          1HB       LYS  14  -0.348  -4.595  -9.715
   96   2HB   LYS  14          2HB       LYS  14  -0.172  -3.607  -8.280
   97   1HG   LYS  14          1HG       LYS  14   2.134  -4.390  -8.059
   98   2HG   LYS  14          2HG       LYS  14   1.891  -5.617  -9.324
   99   1HD   LYS  14          1HD       LYS  14   1.559  -3.852 -10.988
  100   2HD   LYS  14          2HD       LYS  14   1.615  -2.601  -9.738
  101   1HE   LYS  14          1HE       LYS  14   3.682  -2.625 -10.947
  102   2HE   LYS  14          2HE       LYS  14   3.985  -3.117  -9.283
  103   1HZ   LYS  14          2HZ       LYS  14   3.461  -5.291 -11.135
  104   2HZ   LYS  14          3HZ       LYS  14   4.828  -4.431 -11.441
  105   3HZ   LYS  14          1HZ       LYS  14   4.624  -5.154  -9.971
  106    H    VAL  15           H        VAL  15   1.237  -5.554  -5.966
  107    HA   VAL  15           HA       VAL  15  -0.780  -4.602  -4.022
  108    HB   VAL  15           HB       VAL  15   1.874  -5.985  -3.520
  109   1HG1  VAL  15          1HG1      VAL  15  -0.549  -5.254  -1.884
  110   2HG1  VAL  15          2HG1      VAL  15   0.727  -6.314  -1.243
  111   3HG1  VAL  15          3HG1      VAL  15   1.059  -4.616  -1.650
  112   1HG2  VAL  15          1HG2      VAL  15  -0.873  -7.262  -3.573
  113   2HG2  VAL  15          2HG2      VAL  15   0.489  -7.637  -4.642
  114   3HG2  VAL  15          3HG2      VAL  15   0.622  -8.004  -2.937
  115    H    VAL  16           H        VAL  16  -0.588  -2.415  -4.769
  116    HA   VAL  16           HA       VAL  16   2.143  -1.234  -4.740
  117    HB   VAL  16           HB       VAL  16  -0.523  -0.347  -5.882
  118   1HG1  VAL  16          2HG1      VAL  16   2.117   1.181  -5.842
  119   2HG1  VAL  16          3HG1      VAL  16   0.685   1.614  -6.800
  120   3HG1  VAL  16          1HG1      VAL  16   0.614   1.671  -5.032
  121   1HG2  VAL  16          1HG2      VAL  16   0.976  -2.110  -7.065
  122   2HG2  VAL  16          2HG2      VAL  16   0.561  -0.686  -8.005
  123   3HG2  VAL  16          3HG2      VAL  16   2.157  -0.819  -7.265
  124    H    VAL  17           H        VAL  17   2.720   0.093  -3.082
  125    HA   VAL  17           HA       VAL  17   0.667   0.710  -1.032
  126    HB   VAL  17           HB       VAL  17   3.474  -0.307  -0.528
  127   1HG1  VAL  17          1HG1      VAL  17   1.082   0.215   1.295
  128   2HG1  VAL  17          2HG1      VAL  17   2.593  -0.566   1.812
  129   3HG1  VAL  17          3HG1      VAL  17   2.591   1.114   1.272
  130   1HG2  VAL  17          1HG2      VAL  17   0.862  -1.849  -0.451
  131   2HG2  VAL  17          2HG2      VAL  17   2.267  -2.147  -1.494
  132   3HG2  VAL  17          3HG2      VAL  17   2.417  -2.400   0.233
  133    H    PHE  18           H        PHE  18   0.581   2.851  -0.818
  134    HA   PHE  18           HA       PHE  18   2.857   4.495  -1.746
  135   1HB   PHE  18          1HB       PHE  18   0.159   5.357  -0.643
  136   2HB   PHE  18          2HB       PHE  18   1.384   6.431  -1.332
  137    HD1  PHE  18          2HD       PHE  18   2.243   5.998  -3.700
  138    HD2  PHE  18          1HD       PHE  18  -1.331   4.172  -2.124
  139    HE1  PHE  18          2HE       PHE  18   1.557   5.352  -5.991
  140    HE2  PHE  18          1HE       PHE  18  -2.040   3.574  -4.409
  141    HZ   PHE  18           HZ       PHE  18  -0.590   4.184  -6.362
  142    H    ILE  19           H        ILE  19   4.358   5.310  -0.401
  143    HA   ILE  19           HA       ILE  19   4.076   5.064   2.532
  144    HB   ILE  19           HB       ILE  19   6.327   4.050   2.611
  145   1HG1  ILE  19          1HG1      ILE  19   6.371   3.181  -0.239
  146   2HG1  ILE  19          2HG1      ILE  19   6.719   4.878   0.005
  147   1HG2  ILE  19          1HG2      ILE  19   4.412   2.566   2.734
  148   2HG2  ILE  19          2HG2      ILE  19   4.423   2.379   0.964
  149   3HG2  ILE  19          3HG2      ILE  19   5.782   1.793   1.924
  150   1HD1  ILE  19          2HD1      ILE  19   8.189   2.634   1.409
  151   2HD1  ILE  19          3HD1      ILE  19   8.779   3.592   0.032
  152   3HD1  ILE  19          1HD1      ILE  19   8.505   4.375   1.600
  153    H    LYS  20           H        LYS  20   6.309   6.010   3.469
  154    HA   LYS  20           HA       LYS  20   7.741   7.709   1.643
  155   1HB   LYS  20          1HB       LYS  20   7.768   9.673   3.169
  156   2HB   LYS  20          2HB       LYS  20   6.200   9.387   2.424
  157   1HG   LYS  20          1HG       LYS  20   5.527   8.168   4.600
  158   2HG   LYS  20          2HG       LYS  20   7.020   8.799   5.294
  159   1HD   LYS  20          1HD       LYS  20   4.685  10.406   4.173
  160   2HD   LYS  20          2HD       LYS  20   5.084  10.138   5.866
  161   1HE   LYS  20          1HE       LYS  20   7.454  11.202   4.797
  162   2HE   LYS  20          2HE       LYS  20   6.189  12.080   3.927
  163   1HZ   LYS  20          1HZ       LYS  20   5.230  12.632   6.126
  164   2HZ   LYS  20          2HZ       LYS  20   6.459  11.858   6.855
  165   3HZ   LYS  20          3HZ       LYS  20   6.773  13.200   5.965
  166    HA   PRO  21           HA       PRO  21  10.706   5.522   3.929
  167   1HB   PRO  21          1HB       PRO  21  12.999   7.066   3.754
  168   2HB   PRO  21          2HB       PRO  21  12.302   6.136   2.392
  169   1HG   PRO  21          1HG       PRO  21  11.915   9.075   3.048
  170   2HG   PRO  21          2HG       PRO  21  12.331   8.336   1.464
  171   1HD   PRO  21          1HD       PRO  21   9.780   8.987   2.033
  172   2HD   PRO  21          2HD       PRO  21  10.145   7.432   1.223
  173    H    THR  22           H        THR  22   9.840   8.727   5.160
  174    HA   THR  22           HA       THR  22  11.478   8.574   7.535
  175    HB   THR  22           HB       THR  22   9.920  10.495   8.178
  176    HG1  THR  22           HG1      THR  22   8.171  10.438   7.097
  177   1HG2  THR  22          3HG2      THR  22  12.085  10.916   7.076
  178   2HG2  THR  22          1HG2      THR  22  11.319  10.757   5.477
  179   3HG2  THR  22          2HG2      THR  22  10.855  12.081   6.565
  180    H    CYS  23           H        CSN  23   8.329   7.275   6.574
  181    HA   CYS  23           HA       CSN  23   7.124   7.581   9.136
  182   1HB   CYS  23          2HB       CSN  23   5.948   7.534   6.928
  183   2HB   CYS  23          3HB       CSN  23   6.381   5.859   6.793
  184    HA   PRO  24           HA       PRO  24   8.828   3.654  10.756
  185   1HB   PRO  24          1HB       PRO  24   7.822   3.761  13.277
  186   2HB   PRO  24          2HB       PRO  24   9.179   4.791  12.749
  187   1HG   PRO  24          1HG       PRO  24   6.228   5.512  12.894
  188   2HG   PRO  24          2HG       PRO  24   7.613   6.443  13.537
  189   1HD   PRO  24          1HD       PRO  24   6.473   6.973  11.104
  190   2HD   PRO  24          2HD       PRO  24   8.225   7.192  11.389
  191    H    TYR  25           H        TYR  25   5.502   4.631  10.175
  192    HA   TYR  25           HA       TYR  25   4.456   1.952  10.930
  193   1HB   TYR  25          1HB       TYR  25   3.073   4.353   9.691
  194   2HB   TYR  25          2HB       TYR  25   2.338   2.826  10.091
  195    HD1  TYR  25          2HD       TYR  25   1.846   2.170  12.432
  196    HD2  TYR  25          1HD       TYR  25   3.803   5.900  11.485
  197    HE1  TYR  25          2HE       TYR  25   1.260   3.047  14.669
  198    HE2  TYR  25          1HE       TYR  25   3.212   6.790  13.701
  199    HH   TYR  25           HH       TYR  25   1.815   6.453  15.554
  200    H    CYS  26           H        CYS  26   5.352   3.948   8.045
  201    HA   CYS  26           HA       CYS  26   4.576   1.984   6.105
  202   1HB   CYS  26          1HB       CYS  26   6.885   4.006   6.063
  203   2HB   CYS  26          2HB       CYS  26   6.419   2.974   4.726
  204    HG   CYS  26           HG       CYS  26   4.631   5.271   6.292
  205    H    ARG  27           H        ARG  27   7.595   2.421   8.021
  206    HA   ARG  27           HA       ARG  27   9.053   0.288   6.999
  207   1HB   ARG  27          1HB       ARG  27   9.577   2.032   8.955
  208   2HB   ARG  27          2HB       ARG  27   9.069   0.703   9.995
  209   1HG   ARG  27          1HG       ARG  27  10.743  -0.773   8.702
  210   2HG   ARG  27          2HG       ARG  27  11.289   0.716   7.912
  211   1HD   ARG  27          1HD       ARG  27  11.374   1.461  10.559
  212   2HD   ARG  27          2HD       ARG  27  11.690  -0.263  10.704
  213    HE   ARG  27           HE       ARG  27  13.306   1.803   9.327
  214   1HH1  ARG  27          2HH2      ARG  27  13.023  -1.730   9.982
  215   2HH1  ARG  27          1HH2      ARG  27  14.672  -2.032   9.630
  216   1HH2  ARG  27          2HH1      ARG  27  15.489   1.357   8.921
  217   2HH2  ARG  27          1HH1      ARG  27  16.022  -0.293   8.736
  218    H    ARG  28           H        ARG  28   6.497   0.090   9.519
  219    HA   ARG  28           HA       ARG  28   6.810  -2.737   9.941
  220   1HB   ARG  28          1HB       ARG  28   5.410  -1.230  11.422
  221   2HB   ARG  28          2HB       ARG  28   4.215  -1.137  10.162
  222   1HG   ARG  28          1HG       ARG  28   3.273  -3.088  10.885
  223   2HG   ARG  28          2HG       ARG  28   4.670  -3.956  10.378
  224   1HD   ARG  28          1HD       ARG  28   4.285  -2.700  13.131
  225   2HD   ARG  28          2HD       ARG  28   4.205  -4.418  12.710
  226    HE   ARG  28           HE       ARG  28   6.741  -3.683  11.880
  227   1HH1  ARG  28          2HH2      ARG  28   5.141  -3.847  15.034
  228   2HH1  ARG  28          1HH2      ARG  28   6.592  -3.484  15.922
  229   1HH2  ARG  28          2HH1      ARG  28   8.568  -3.897  12.980
  230   2HH2  ARG  28          1HH1      ARG  28   8.646  -3.851  14.728
  231    H    ALA  29           H        ALA  29   4.531  -0.859   7.967
  232    HA   ALA  29           HA       ALA  29   3.278  -3.111   6.815
  233   1HB   ALA  29          2HB       ALA  29   3.702  -0.339   5.646
  234   2HB   ALA  29          3HB       ALA  29   2.670  -1.571   4.891
  235   3HB   ALA  29          1HB       ALA  29   2.274  -0.959   6.516
  236    H    GLN  30           H        GLN  30   6.299  -1.495   5.666
  237    HA   GLN  30           HA       GLN  30   6.790  -3.253   3.547
  238   1HB   GLN  30          1HB       GLN  30   8.453  -1.425   5.269
  239   2HB   GLN  30          2HB       GLN  30   9.301  -2.782   4.542
  240   1HG   GLN  30          1HG       GLN  30   9.526  -1.673   2.675
  241   2HG   GLN  30          2HG       GLN  30   7.803  -1.884   2.448
  242   1HE2  GLN  30          2HE2      GLN  30   9.377   1.827   3.081
  243   2HE2  GLN  30          1HE2      GLN  30  10.371   0.399   2.849
  244    H    GLU  31           H        GLU  31   7.582  -3.770   7.038
  245    HA   GLU  31           HA       GLU  31   9.077  -6.150   6.311
  246   1HB   GLU  31          1HB       GLU  31   9.675  -6.311   8.542
  247   2HB   GLU  31          2HB       GLU  31   9.274  -4.600   8.486
  248   1HG   GLU  31          1HG       GLU  31   6.943  -5.313   9.382
  249   2HG   GLU  31          2HG       GLU  31   7.653  -6.896   9.661
  250    H    ILE  32           H        ILE  32   5.905  -5.511   7.633
  251    HA   ILE  32           HA       ILE  32   4.857  -8.117   7.870
  252    HB   ILE  32           HB       ILE  32   3.779  -5.326   7.419
  253   1HG1  ILE  32          1HG1      ILE  32   3.351  -7.447   9.577
  254   2HG1  ILE  32          2HG1      ILE  32   4.472  -6.089   9.673
  255   1HG2  ILE  32          2HG2      ILE  32   1.991  -7.739   7.417
  256   2HG2  ILE  32          3HG2      ILE  32   1.483  -6.031   7.516
  257   3HG2  ILE  32          1HG2      ILE  32   2.256  -6.601   6.061
  258   1HD1  ILE  32          1HD1      ILE  32   2.395  -4.569   9.392
  259   2HD1  ILE  32          2HD1      ILE  32   1.432  -6.022   9.735
  260   3HD1  ILE  32          3HD1      ILE  32   2.575  -5.433  10.943
  261    H    LEU  33           H        LEU  33   4.706  -5.844   5.039
  262    HA   LEU  33           HA       LEU  33   3.415  -7.957   3.606
  263   1HB   LEU  33          1HB       LEU  33   4.297  -5.182   2.772
  264   2HB   LEU  33          2HB       LEU  33   3.846  -6.348   1.567
  265    HG   LEU  33           HG       LEU  33   1.970  -5.331   3.766
  266   1HD1  LEU  33          1HD1      LEU  33   2.416  -3.719   2.023
  267   2HD1  LEU  33          2HD1      LEU  33   1.903  -4.899   0.781
  268   3HD1  LEU  33          3HD1      LEU  33   0.753  -4.320   1.986
  269   1HD2  LEU  33          2HD2      LEU  33   1.520  -7.328   1.471
  270   2HD2  LEU  33          3HD2      LEU  33   1.389  -7.688   3.196
  271   3HD2  LEU  33          1HD2      LEU  33   0.234  -6.592   2.440
  272    H    SER  34           H        SER  34   6.868  -6.737   3.679
  273    HA   SER  34           HA       SER  34   7.649  -8.364   1.442
  274   1HB   SER  34          1HB       SER  34   9.330  -7.428   3.788
  275   2HB   SER  34          2HB       SER  34   9.928  -8.034   2.233
  276    HG   SER  34           HG       SER  34   8.458  -5.717   2.834
  277    H    GLN  35           H        GLN  35   7.280  -9.172   4.963
  278    HA   GLN  35           HA       GLN  35   8.630 -11.707   4.625
  279   1HB   GLN  35          1HB       GLN  35   6.888 -10.548   6.833
  280   2HB   GLN  35          2HB       GLN  35   7.496 -12.194   6.874
  281   1HG   GLN  35          1HG       GLN  35   9.792 -10.659   6.273
  282   2HG   GLN  35          2HG       GLN  35   8.921  -9.705   7.466
  283   1HE2  GLN  35          2HE2      GLN  35  10.434 -13.415   8.507
  284   2HE2  GLN  35          1HE2      GLN  35  10.174 -13.022   6.817
  285    H    LEU  36           H        LEU  36   5.542 -10.738   3.491
  286    HA   LEU  36           HA       LEU  36   4.479 -13.474   3.667
  287   1HB   LEU  36          1HB       LEU  36   3.435 -10.885   2.514
  288   2HB   LEU  36          2HB       LEU  36   2.734 -12.442   2.082
  289    HG   LEU  36           HG       LEU  36   2.866 -11.272   4.885
  290   1HD1  LEU  36          1HD1      LEU  36   1.212 -10.215   3.373
  291   2HD1  LEU  36          2HD1      LEU  36   0.492 -11.820   3.074
  292   3HD1  LEU  36          3HD1      LEU  36   0.448 -11.104   4.698
  293   1HD2  LEU  36          1HD2      LEU  36   1.739 -13.929   3.886
  294   2HD2  LEU  36          2HD2      LEU  36   2.958 -13.687   5.148
  295   3HD2  LEU  36          3HD2      LEU  36   1.300 -13.204   5.448
  296    HA   PRO  37           HA       PRO  37   6.701 -14.420  -0.069
  297   1HB   PRO  37          1HB       PRO  37   5.853 -16.950  -0.511
  298   2HB   PRO  37          2HB       PRO  37   6.780 -16.519   0.954
  299   1HG   PRO  37          1HG       PRO  37   3.765 -16.778   0.663
  300   2HG   PRO  37          2HG       PRO  37   4.836 -17.514   1.897
  301   1HD   PRO  37          1HD       PRO  37   3.478 -15.171   2.326
  302   2HD   PRO  37          2HD       PRO  37   5.096 -15.479   3.020
  303    H    ILE  38           H        ILE  38   5.483 -12.668  -1.154
  304    HA   ILE  38           HA       ILE  38   3.046 -13.478  -2.684
  305    HB   ILE  38           HB       ILE  38   4.429 -10.923  -1.687
  306   1HG1  ILE  38          1HG1      ILE  38   1.446 -11.555  -1.528
  307   2HG1  ILE  38          2HG1      ILE  38   2.593 -12.332  -0.439
  308   1HG2  ILE  38          2HG2      ILE  38   2.246 -10.816  -3.814
  309   2HG2  ILE  38          3HG2      ILE  38   2.760  -9.444  -2.829
  310   3HG2  ILE  38          1HG2      ILE  38   3.899 -10.186  -3.927
  311   1HD1  ILE  38          2HD1      ILE  38   3.497 -10.018   0.143
  312   2HD1  ILE  38          3HD1      ILE  38   2.036  -9.368  -0.646
  313   3HD1  ILE  38          1HD1      ILE  38   1.921 -10.426   0.767
  314    H    LYS  39           H        LYS  39   2.993 -13.205  -4.991
  315    HA   LYS  39           HA       LYS  39   5.054 -13.908  -6.394
  316   1HB   LYS  39          1HB       LYS  39   2.592 -12.468  -7.129
  317   2HB   LYS  39          2HB       LYS  39   3.832 -12.553  -8.376
  318   1HG   LYS  39          1HG       LYS  39   2.794 -14.989  -6.864
  319   2HG   LYS  39          2HG       LYS  39   2.097 -14.413  -8.348
  320   1HD   LYS  39          1HD       LYS  39   4.946 -15.428  -7.924
  321   2HD   LYS  39          2HD       LYS  39   3.606 -16.332  -8.623
  322   1HE   LYS  39          1HE       LYS  39   3.495 -14.859 -10.537
  323   2HE   LYS  39          2HE       LYS  39   4.718 -13.774  -9.856
  324   1HZ   LYS  39          1HZ       LYS  39   5.297 -16.612 -10.413
  325   2HZ   LYS  39          2HZ       LYS  39   5.538 -15.414 -11.528
  326   3HZ   LYS  39          3HZ       LYS  39   6.341 -15.404 -10.077
  327    H    GLN  40           H        GLN  40   6.912 -13.084  -7.372
  328    HA   GLN  40           HA       GLN  40   8.012 -10.770  -6.183
  329   1HB   GLN  40          1HB       GLN  40   9.268 -12.730  -7.102
  330   2HB   GLN  40          2HB       GLN  40   8.901 -12.171  -8.746
  331   1HG   GLN  40          1HG       GLN  40  10.114 -10.054  -8.267
  332   2HG   GLN  40          2HG       GLN  40  10.458 -10.625  -6.625
  333   1HE2  GLN  40          2HE2      GLN  40  13.459 -11.169  -8.801
  334   2HE2  GLN  40          1HE2      GLN  40  12.556  -9.849  -8.058
  335    H    GLY  41           H        GLY  41   8.220  -8.632  -6.915
  336   1HA   GLY  41          1HA       GLY  41   7.979  -6.832  -8.305
  337   2HA   GLY  41          2HA       GLY  41   7.392  -7.876  -9.584
  338    H    LEU  42           H        LEU  42   5.234  -8.796  -7.121
  339    HA   LEU  42           HA       LEU  42   3.269  -6.876  -8.009
  340   1HB   LEU  42          1HB       LEU  42   3.112  -8.801  -5.686
  341   2HB   LEU  42          2HB       LEU  42   1.862  -7.826  -6.383
  342    HG   LEU  42           HG       LEU  42   3.116 -10.286  -7.550
  343   1HD1  LEU  42          1HD1      LEU  42   1.173 -10.407  -5.978
  344   2HD1  LEU  42          2HD1      LEU  42   0.244  -9.378  -7.092
  345   3HD1  LEU  42          3HD1      LEU  42   0.762 -10.985  -7.610
  346   1HD2  LEU  42          2HD2      LEU  42   1.400  -8.283  -9.045
  347   2HD2  LEU  42          3HD2      LEU  42   3.064  -8.785  -9.420
  348   3HD2  LEU  42          1HD2      LEU  42   1.740  -9.946  -9.574
  349    H    LEU  43           H        LEU  43   5.444  -7.222  -5.159
  350    HA   LEU  43           HA       LEU  43   3.844  -5.259  -3.700
  351   1HB   LEU  43          1HB       LEU  43   5.436  -7.381  -2.839
  352   2HB   LEU  43          2HB       LEU  43   6.444  -5.997  -2.504
  353    HG   LEU  43           HG       LEU  43   5.338  -6.175  -0.542
  354   1HD1  LEU  43          3HD1      LEU  43   4.846  -3.878  -1.478
  355   2HD1  LEU  43          1HD1      LEU  43   3.212  -4.446  -1.822
  356   3HD1  LEU  43          2HD1      LEU  43   3.820  -4.427  -0.159
  357   1HD2  LEU  43          3HD2      LEU  43   2.944  -7.169  -2.093
  358   2HD2  LEU  43          1HD2      LEU  43   3.968  -8.009  -0.934
  359   3HD2  LEU  43          2HD2      LEU  43   2.845  -6.766  -0.362
  360    H    GLU  44           H        GLU  44   4.023  -3.201  -4.432
  361    HA   GLU  44           HA       GLU  44   6.754  -2.159  -5.078
  362   1HB   GLU  44          1HB       GLU  44   5.282  -2.488  -7.081
  363   2HB   GLU  44          2HB       GLU  44   4.152  -1.308  -6.383
  364   1HG   GLU  44          1HG       GLU  44   6.083   0.339  -6.265
  365   2HG   GLU  44          2HG       GLU  44   7.083  -0.847  -7.098
  366    H    PHE  45           H        PHE  45   7.321  -1.061  -3.285
  367    HA   PHE  45           HA       PHE  45   5.374   0.564  -1.794
  368   1HB   PHE  45          1HB       PHE  45   8.362   0.140  -1.416
  369   2HB   PHE  45          2HB       PHE  45   7.291   0.984  -0.305
  370    HD1  PHE  45          2HD       PHE  45   5.276  -0.356   0.660
  371    HD2  PHE  45          1HD       PHE  45   8.693  -2.212  -1.167
  372    HE1  PHE  45          2HE       PHE  45   4.665  -2.547   1.721
  373    HE2  PHE  45          1HE       PHE  45   8.140  -4.352  -0.069
  374    HZ   PHE  45           HZ       PHE  45   6.124  -4.531   1.375
  375    H    VAL  46           H        VAL  46   4.931   2.609  -2.506
  376    HA   VAL  46           HA       VAL  46   6.771   3.977  -4.377
  377    HB   VAL  46           HB       VAL  46   3.747   4.086  -4.091
  378   1HG1  VAL  46          1HG1      VAL  46   5.627   5.438  -6.080
  379   2HG1  VAL  46          2HG1      VAL  46   3.857   5.413  -6.209
  380   3HG1  VAL  46          3HG1      VAL  46   4.618   6.245  -4.856
  381   1HG2  VAL  46          2HG2      VAL  46   5.480   2.849  -6.269
  382   2HG2  VAL  46          3HG2      VAL  46   4.459   1.969  -5.107
  383   3HG2  VAL  46          1HG2      VAL  46   3.713   3.014  -6.313
  384    H    ASP  47           H        ASP  47   7.889   5.450  -3.322
  385    HA   ASP  47           HA       ASP  47   7.260   6.840  -0.957
  386   1HB   ASP  47          1HB       ASP  47   9.474   6.301  -1.896
  387   2HB   ASP  47          2HB       ASP  47   9.252   7.497  -3.147
  388    H    ILE  48           H        ILE  48   5.496   8.155  -0.810
  389    HA   ILE  48           HA       ILE  48   4.523   9.838  -2.908
  390    HB   ILE  48           HB       ILE  48   3.226  11.007  -1.230
  391   1HG1  ILE  48          1HG1      ILE  48   4.435   9.335   0.985
  392   2HG1  ILE  48          2HG1      ILE  48   4.877  11.000   0.667
  393   1HG2  ILE  48          3HG2      ILE  48   2.569   8.726  -2.167
  394   2HG2  ILE  48          1HG2      ILE  48   3.207   7.986  -0.690
  395   3HG2  ILE  48          2HG2      ILE  48   1.817   9.087  -0.602
  396   1HD1  ILE  48          3HD1      ILE  48   2.411  11.598   0.926
  397   2HD1  ILE  48          1HD1      ILE  48   2.155   9.941   1.511
  398   3HD1  ILE  48          2HD1      ILE  48   3.229  11.034   2.395
  399    H    THR  49           H        THR  49   7.331  10.289  -0.847
  400    HA   THR  49           HA       THR  49   7.239  13.185  -1.453
  401    HB   THR  49           HB       THR  49   7.290  12.501   0.901
  402    HG1  THR  49           HG1      THR  49   9.582  13.970   0.255
  403   1HG2  THR  49          2HG2      THR  49  10.079  11.494   0.291
  404   2HG2  THR  49          3HG2      THR  49   9.592  12.075   1.900
  405   3HG2  THR  49          1HG2      THR  49   8.746  10.716   1.177
  406    H    ALA  50           H        ALA  50   8.305  10.462  -2.912
  407    HA   ALA  50           HA       ALA  50  10.890  10.560  -3.644
  408   1HB   ALA  50          3HB       ALA  50   8.429  10.188  -5.396
  409   2HB   ALA  50          1HB       ALA  50  10.080   9.898  -5.980
  410   3HB   ALA  50          2HB       ALA  50   9.442   8.943  -4.652
  411    H    THR  51           H        THR  51   8.511  12.287  -5.534
  412    HA   THR  51           HA       THR  51   9.831  14.790  -5.453
  413    HB   THR  51           HB       THR  51  11.308  13.565  -7.047
  414    HG1  THR  51           HG1      THR  51  11.530  15.500  -8.191
  415   1HG2  THR  51          3HG2      THR  51   9.404  12.676  -8.339
  416   2HG2  THR  51          1HG2      THR  51   9.039  14.353  -8.866
  417   3HG2  THR  51          2HG2      THR  51  10.605  13.599  -9.298
  418    H    ASN  52           H        ASN  52   7.209  12.742  -6.376
  419    HA   ASN  52           HA       ASN  52   5.724  14.171  -8.101
  420   1HB   ASN  52          1HB       ASN  52   5.047  11.968  -7.334
  421   2HB   ASN  52          2HB       ASN  52   4.657  12.581  -5.718
  422   1HD2  ASN  52          2HD2      ASN  52   1.539  14.069  -6.805
  423   2HD2  ASN  52          1HD2      ASN  52   2.595  13.833  -5.436
  424    H    HIS  53           H        HIS  53   5.501  14.527  -4.592
  425    HA   HIS  53           HA       HIS  53   4.805  16.682  -3.523
  426   1HB   HIS  53          1HB       HIS  53   2.831  16.684  -5.793
  427   2HB   HIS  53          2HB       HIS  53   2.221  16.834  -4.201
  428    HD1  HIS  53          1HD       HIS  53   3.090  18.822  -2.599
  429    HD2  HIS  53          2HD       HIS  53   3.985  19.007  -6.724
  430    HE1  HIS  53          1HE       HIS  53   3.456  21.265  -3.133
  431    H    THR  54           H        THR  54   4.731  15.547  -1.736
  432    HA   THR  54           HA       THR  54   3.193  13.168  -1.332
  433    HB   THR  54           HB       THR  54   4.779  13.089   0.161
  434    HG1  THR  54           HG1      THR  54   4.219  14.025   2.248
  435   1HG2  THR  54          1HG2      THR  54   5.989  15.011  -0.512
  436   2HG2  THR  54          2HG2      THR  54   4.913  16.054   0.475
  437   3HG2  THR  54          3HG2      THR  54   5.988  14.849   1.230
  438    H    ASN  55           H        ASN  55   2.877  16.368   0.046
  439    HA   ASN  55           HA       ASN  55   0.486  15.813   1.274
  440   1HB   ASN  55          1HB       ASN  55   1.906  17.870   1.690
  441   2HB   ASN  55          2HB       ASN  55   0.879  18.672   0.480
  442   1HD2  ASN  55          2HD2      ASN  55  -1.837  18.973   2.807
  443   2HD2  ASN  55          1HD2      ASN  55  -1.289  19.319   1.194
  444    H    GLU  56           H        GLU  56   0.766  17.019  -2.149
  445    HA   GLU  56           HA       GLU  56  -1.947  17.404  -2.662
  446   1HB   GLU  56          1HB       GLU  56   0.444  17.769  -3.799
  447   2HB   GLU  56          2HB       GLU  56   0.052  16.260  -4.638
  448   1HG   GLU  56          1HG       GLU  56  -1.577  18.811  -4.510
  449   2HG   GLU  56          2HG       GLU  56  -0.333  18.446  -5.704
  450    H    ILE  57           H        ILE  57   0.140  14.459  -2.876
  451    HA   ILE  57           HA       ILE  57  -1.919  12.661  -3.752
  452    HB   ILE  57           HB       ILE  57   0.836  12.401  -2.509
  453   1HG1  ILE  57          1HG1      ILE  57  -0.400  11.131  -4.970
  454   2HG1  ILE  57          2HG1      ILE  57   0.373  12.709  -4.974
  455   1HG2  ILE  57          3HG2      ILE  57  -1.180  10.129  -2.667
  456   2HG2  ILE  57          1HG2      ILE  57   0.566   9.876  -2.553
  457   3HG2  ILE  57          2HG2      ILE  57  -0.265  10.697  -1.251
  458   1HD1  ILE  57          1HD1      ILE  57   2.512  11.665  -4.196
  459   2HD1  ILE  57          2HD1      ILE  57   1.761  10.061  -4.335
  460   3HD1  ILE  57          3HD1      ILE  57   1.958  11.059  -5.770
  461    H    GLN  58           H        GLN  58  -0.905  13.874  -0.577
  462    HA   GLN  58           HA       GLN  58  -2.281  11.895   0.990
  463   1HB   GLN  58          1HB       GLN  58  -1.100  14.662   1.470
  464   2HB   GLN  58          2HB       GLN  58  -2.104  13.968   2.688
  465   1HG   GLN  58          1HG       GLN  58   0.458  12.713   1.713
  466   2HG   GLN  58          2HG       GLN  58   0.256  13.632   3.189
  467   1HE2  GLN  58          2HE2      GLN  58  -1.118   9.776   3.043
  468   2HE2  GLN  58          1HE2      GLN  58  -0.425  10.519   1.599
  469    H    ASP  59           H        ASP  59  -3.082  15.286   0.024
  470    HA   ASP  59           HA       ASP  59  -5.671  15.600   1.048
  471   1HB   ASP  59          1HB       ASP  59  -4.257  17.255  -0.286
  472   2HB   ASP  59          2HB       ASP  59  -4.708  16.448  -1.741
  473    H    TYR  60           H        TYR  60  -4.684  14.540  -2.090
  474    HA   TYR  60           HA       TYR  60  -7.122  13.745  -3.159
  475   1HB   TYR  60          1HB       TYR  60  -4.926  13.998  -4.365
  476   2HB   TYR  60          2HB       TYR  60  -4.463  12.404  -3.782
  477    HD1  TYR  60          2HD       TYR  60  -5.989  10.379  -4.450
  478    HD2  TYR  60          1HD       TYR  60  -6.220  14.272  -6.329
  479    HE1  TYR  60          2HE       TYR  60  -7.140   9.396  -6.429
  480    HE2  TYR  60          1HE       TYR  60  -7.457  13.299  -8.198
  481    HH   TYR  60           HH       TYR  60  -8.770  11.345  -8.795
  482    H    LEU  61           H        LEU  61  -4.860  11.680  -1.253
  483    HA   LEU  61           HA       LEU  61  -6.374   9.260  -1.469
  484   1HB   LEU  61          1HB       LEU  61  -4.400  10.282   0.585
  485   2HB   LEU  61          2HB       LEU  61  -5.188   8.726   0.764
  486    HG   LEU  61           HG       LEU  61  -3.665   9.376  -1.780
  487   1HD1  LEU  61          3HD1      LEU  61  -2.562   8.411   0.890
  488   2HD1  LEU  61          1HD1      LEU  61  -1.708   8.211  -0.671
  489   3HD1  LEU  61          2HD1      LEU  61  -2.084   9.825  -0.044
  490   1HD2  LEU  61          1HD2      LEU  61  -4.428   6.800  -0.349
  491   2HD2  LEU  61          2HD2      LEU  61  -5.102   7.428  -1.853
  492   3HD2  LEU  61          3HD2      LEU  61  -3.412   6.905  -1.814
  493    H    GLN  62           H        GLN  62  -6.470  11.903   0.956
  494    HA   GLN  62           HA       GLN  62  -8.365  10.683   2.669
  495   1HB   GLN  62          1HB       GLN  62  -7.005  13.070   2.800
  496   2HB   GLN  62          2HB       GLN  62  -8.581  13.644   2.291
  497   1HG   GLN  62          1HG       GLN  62  -9.550  12.179   4.203
  498   2HG   GLN  62          2HG       GLN  62  -7.890  12.071   4.792
  499   1HE2  GLN  62          2HE2      GLN  62 -10.081  15.414   5.514
  500   2HE2  GLN  62          1HE2      GLN  62 -10.758  13.989   4.732
  501    H    GLN  63           H        GLN  63  -8.817  12.487  -0.349
  502    HA   GLN  63           HA       GLN  63 -11.721  12.380  -0.166
  503   1HB   GLN  63          1HB       GLN  63  -9.914  13.916  -1.620
  504   2HB   GLN  63          2HB       GLN  63 -10.444  12.745  -2.824
  505   1HG   GLN  63          1HG       GLN  63 -11.910  14.626  -2.966
  506   2HG   GLN  63          2HG       GLN  63 -12.827  13.312  -2.228
  507   1HE2  GLN  63          2HE2      GLN  63 -13.536  16.469  -0.374
  508   2HE2  GLN  63          1HE2      GLN  63 -13.904  15.711  -1.920
  509    H    LEU  64           H        LEU  64  -9.188  10.623  -1.927
  510    HA   LEU  64           HA       LEU  64 -10.885   9.376  -3.733
  511   1HB   LEU  64          1HB       LEU  64  -8.628   9.618  -4.367
  512   2HB   LEU  64          2HB       LEU  64  -8.054   8.928  -2.861
  513    HG   LEU  64           HG       LEU  64  -8.960   6.641  -3.657
  514   1HD1  LEU  64          1HD1      LEU  64  -9.002   8.230  -6.270
  515   2HD1  LEU  64          2HD1      LEU  64  -8.994   6.457  -6.163
  516   3HD1  LEU  64          3HD1      LEU  64 -10.344   7.374  -5.505
  517   1HD2  LEU  64          2HD2      LEU  64  -6.570   7.910  -5.032
  518   2HD2  LEU  64          3HD2      LEU  64  -6.609   7.087  -3.471
  519   3HD2  LEU  64          1HD2      LEU  64  -6.939   6.177  -4.943
  520    H    THR  65           H        THR  65  -9.378   8.077  -0.736
  521    HA   THR  65           HA       THR  65 -11.119   5.665  -0.949
  522    HB   THR  65           HB       THR  65  -9.586   4.476   0.349
  523    HG1  THR  65           HG1      THR  65  -9.052   5.814   1.949
  524   1HG2  THR  65          2HG2      THR  65  -8.691   4.861  -1.945
  525   2HG2  THR  65          3HG2      THR  65  -7.784   6.276  -1.337
  526   3HG2  THR  65          1HG2      THR  65  -7.408   4.665  -0.740
  527    H    GLY  66           H        GLY  66 -10.047   8.301   1.223
  528   1HA   GLY  66          1HA       GLY  66 -12.107   9.330   2.388
  529   2HA   GLY  66          2HA       GLY  66 -12.315   7.735   3.079
  530    H    ALA  67           H        ALA  67  -9.056   7.733   3.003
  531    HA   ALA  67           HA       ALA  67  -8.526   9.701   5.101
  532   1HB   ALA  67          1HB       ALA  67  -8.085   6.712   5.508
  533   2HB   ALA  67          2HB       ALA  67  -7.440   7.992   6.553
  534   3HB   ALA  67          3HB       ALA  67  -9.193   7.751   6.434
  535    H    ARG  68           H        ARG  68  -6.193   9.884   5.458
  536    HA   ARG  68           HA       ARG  68  -4.796   9.281   2.883
  537   1HB   ARG  68          1HB       ARG  68  -3.764  11.361   2.964
  538   2HB   ARG  68          2HB       ARG  68  -5.499  11.583   3.193
  539   1HG   ARG  68          1HG       ARG  68  -4.958  11.822   5.719
  540   2HG   ARG  68          2HG       ARG  68  -3.264  11.917   5.225
  541   1HD   ARG  68          1HD       ARG  68  -4.208  13.703   3.481
  542   2HD   ARG  68          2HD       ARG  68  -5.552  13.803   4.596
  543    HE   ARG  68           HE       ARG  68  -3.057  15.082   4.786
  544   1HH1  ARG  68          2HH2      ARG  68  -5.184  13.380   7.175
  545   2HH1  ARG  68          1HH2      ARG  68  -4.959  14.683   8.297
  546   1HH2  ARG  68          2HH1      ARG  68  -3.035  16.710   6.240
  547   2HH2  ARG  68          1HH1      ARG  68  -3.692  16.492   7.852
  548    H    THR  69           H        THR  69  -4.435   8.911   6.411
  549    HA   THR  69           HA       THR  69  -1.688   9.553   6.386
  550    HB   THR  69           HB       THR  69  -1.794   8.284   8.626
  551    HG1  THR  69           HG1      THR  69  -3.518   7.115   8.890
  552   1HG2  THR  69          2HG2      THR  69  -2.184  10.766   8.379
  553   2HG2  THR  69          3HG2      THR  69  -3.909  10.444   8.125
  554   3HG2  THR  69          1HG2      THR  69  -3.143  10.050   9.674
  555    H    VAL  70           H        VAL  70   0.074   8.370   6.075
  556    HA   VAL  70           HA       VAL  70  -0.294   5.984   4.456
  557    HB   VAL  70           HB       VAL  70   2.392   6.457   4.340
  558   1HG1  VAL  70          1HG1      VAL  70   0.857   6.248   2.450
  559   2HG1  VAL  70          2HG1      VAL  70   0.243   7.889   2.735
  560   3HG1  VAL  70          3HG1      VAL  70   1.933   7.623   2.232
  561   1HG2  VAL  70          3HG2      VAL  70   2.353   8.480   5.784
  562   2HG2  VAL  70          1HG2      VAL  70   2.828   8.848   4.125
  563   3HG2  VAL  70          2HG2      VAL  70   1.200   9.257   4.665
  564    HA   PRO  71           HA       PRO  71   1.840   4.283   3.838
  565   1HB   PRO  71          1HB       PRO  71   1.465   1.563   4.013
  566   2HB   PRO  71          2HB       PRO  71   2.958   2.377   4.550
  567   1HG   PRO  71          1HG       PRO  71   0.588   1.524   6.239
  568   2HG   PRO  71          2HG       PRO  71   2.333   1.289   6.578
  569   1HD   PRO  71          1HD       PRO  71   0.936   3.310   7.700
  570   2HD   PRO  71          2HD       PRO  71   2.638   3.518   7.207
  571    H    ARG  72           H        ARG  72   0.418   3.456   2.077
  572    HA   ARG  72           HA       ARG  72  -2.398   2.846   2.899
  573   1HB   ARG  72          1HB       ARG  72  -1.683   4.290   0.312
  574   2HB   ARG  72          2HB       ARG  72  -3.281   3.880   0.914
  575   1HG   ARG  72          1HG       ARG  72  -1.377   5.946   2.059
  576   2HG   ARG  72          2HG       ARG  72  -2.796   6.253   1.077
  577   1HD   ARG  72          1HD       ARG  72  -2.864   4.962   3.813
  578   2HD   ARG  72          2HD       ARG  72  -3.114   6.681   3.487
  579    HE   ARG  72           HE       ARG  72  -4.979   5.421   1.903
  580   1HH1  ARG  72          2HH2      ARG  72  -4.209   5.514   5.383
  581   2HH1  ARG  72          1HH2      ARG  72  -5.845   5.177   5.886
  582   1HH2  ARG  72          2HH1      ARG  72  -7.144   5.193   2.556
  583   2HH2  ARG  72          1HH1      ARG  72  -7.502   4.724   4.178
  584    H    VAL  73           H        VAL  73  -2.381   0.665   2.654
  585    HA   VAL  73           HA       VAL  73  -0.832  -0.534   0.427
  586    HB   VAL  73           HB       VAL  73  -2.458  -1.680   2.718
  587   1HG1  VAL  73          1HG1      VAL  73  -1.095  -3.123   0.395
  588   2HG1  VAL  73          2HG1      VAL  73  -1.742  -3.926   1.846
  589   3HG1  VAL  73          3HG1      VAL  73  -2.831  -3.108   0.736
  590   1HG2  VAL  73          2HG2      VAL  73   0.492  -1.909   2.079
  591   2HG2  VAL  73          3HG2      VAL  73  -0.235  -0.952   3.398
  592   3HG2  VAL  73          1HG2      VAL  73  -0.349  -2.712   3.394
  593    H    PHE  74           H        PHE  74  -1.732  -0.847  -1.519
  594    HA   PHE  74           HA       PHE  74  -4.669  -1.048  -1.782
  595   1HB   PHE  74          1HB       PHE  74  -2.622   0.100  -3.709
  596   2HB   PHE  74          2HB       PHE  74  -4.200  -0.469  -4.195
  597    HD1  PHE  74          1HD       PHE  74  -2.619   1.966  -1.785
  598    HD2  PHE  74          2HD       PHE  74  -5.983   1.035  -4.315
  599    HE1  PHE  74          1HE       PHE  74  -3.562   4.242  -1.406
  600    HE2  PHE  74          2HE       PHE  74  -6.883   3.304  -3.960
  601    HZ   PHE  74           HZ       PHE  74  -5.679   4.914  -2.505
  602    H    ILE  75           H        ILE  75  -4.915  -3.245  -1.707
  603    HA   ILE  75           HA       ILE  75  -3.049  -5.012  -3.224
  604    HB   ILE  75           HB       ILE  75  -4.857  -5.443  -0.906
  605   1HG1  ILE  75          1HG1      ILE  75  -3.348  -7.541  -0.703
  606   2HG1  ILE  75          2HG1      ILE  75  -2.395  -6.806  -2.002
  607   1HG2  ILE  75          3HG2      ILE  75  -4.740  -7.422  -3.235
  608   2HG2  ILE  75          1HG2      ILE  75  -5.253  -7.868  -1.621
  609   3HG2  ILE  75          2HG2      ILE  75  -6.207  -6.701  -2.518
  610   1HD1  ILE  75          3HD1      ILE  75  -2.069  -4.871  -0.533
  611   2HD1  ILE  75          1HD1      ILE  75  -2.924  -5.732   0.779
  612   3HD1  ILE  75          2HD1      ILE  75  -1.397  -6.367   0.137
  613    H    GLY  76           H        GLY  76  -3.654  -5.243  -5.325
  614   1HA   GLY  76          1HA       GLY  76  -4.878  -5.100  -7.257
  615   2HA   GLY  76          2HA       GLY  76  -6.043  -6.057  -6.349
  616    H    LYS  77           H        LYS  77  -5.018  -2.696  -6.727
  617    HA   LYS  77           HA       LYS  77  -5.931  -0.732  -6.543
  618   1HB   LYS  77          1HB       LYS  77  -7.220  -2.057  -8.671
  619   2HB   LYS  77          2HB       LYS  77  -8.524  -1.255  -7.788
  620   1HG   LYS  77          1HG       LYS  77  -6.999   0.829  -7.772
  621   2HG   LYS  77          2HG       LYS  77  -5.979  -0.036  -8.931
  622   1HD   LYS  77          1HD       LYS  77  -7.879  -0.236 -10.490
  623   2HD   LYS  77          2HD       LYS  77  -8.932   0.631  -9.338
  624   1HE   LYS  77          1HE       LYS  77  -7.429   2.598  -9.424
  625   2HE   LYS  77          2HE       LYS  77  -6.330   1.716 -10.503
  626   1HZ   LYS  77          1HZ       LYS  77  -8.197   1.593 -12.089
  627   2HZ   LYS  77          2HZ       LYS  77  -9.062   2.619 -11.112
  628   3HZ   LYS  77          3HZ       LYS  77  -7.649   3.122 -11.802
  629    H    ASP  78           H        ASP  78  -7.352  -2.992  -4.588
  630    HA   ASP  78           HA       ASP  78  -9.316  -1.077  -3.455
  631   1HB   ASP  78          1HB       ASP  78  -8.882  -4.024  -3.284
  632   2HB   ASP  78          2HB       ASP  78  -9.309  -3.238  -1.773
  633    H    CYS  79           H        CYS  79  -8.548   0.402  -2.130
  634    HA   CYS  79           HA       CYS  79  -6.078   0.201  -0.666
  635   1HB   CYS  79          1HB       CYS  79  -7.332   2.319  -1.289
  636   2HB   CYS  79          2HB       CYS  79  -8.515   1.929  -0.027
  637    HG   CYS  79           HG       CYS  79  -7.121   2.212   1.946
  638    H    ILE  80           H        ILE  80  -5.775  -1.334   1.042
  639    HA   ILE  80           HA       ILE  80  -8.138  -2.339   2.449
  640    HB   ILE  80           HB       ILE  80  -6.742  -3.920   3.330
  641   1HG1  ILE  80          1HG1      ILE  80  -4.135  -3.731   2.695
  642   2HG1  ILE  80          2HG1      ILE  80  -4.528  -2.007   2.804
  643   1HG2  ILE  80          2HG2      ILE  80  -7.176  -4.123   0.864
  644   2HG2  ILE  80          3HG2      ILE  80  -5.545  -3.497   0.569
  645   3HG2  ILE  80          1HG2      ILE  80  -5.758  -5.021   1.452
  646   1HD1  ILE  80          1HD1      ILE  80  -5.466  -2.517   5.139
  647   2HD1  ILE  80          2HD1      ILE  80  -4.824  -4.151   4.942
  648   3HD1  ILE  80          3HD1      ILE  80  -3.730  -2.741   4.946
  649    H    GLY  81           H        GLY  81  -5.818   0.205   2.686
  650   1HA   GLY  81          1HA       GLY  81  -6.653   2.070   4.057
  651   2HA   GLY  81          2HA       GLY  81  -6.858   0.915   5.386
  652    H    GLY  82           H        GLY  82  -5.350   1.664   6.761
  653   1HA   GLY  82          1HA       GLY  82  -2.601   2.143   5.740
  654   2HA   GLY  82          2HA       GLY  82  -3.316   3.028   7.097
  655    H    CYS  83           H        CYS  83  -1.787   2.396   8.636
  656    HA   CYS  83           HA       CYS  83  -0.498  -0.154   8.541
  657   1HB   CYS  83          1HB       CYS  83   0.508   0.783  10.719
  658   2HB   CYS  83          2HB       CYS  83   0.790   1.681   9.221
  659    HG   CYS  83           HG       CYS  83   0.405   3.609  10.818
  660    H    SER  84           H        SER  84  -3.176   1.292  10.470
  661    HA   SER  84           HA       SER  84  -3.067  -0.897  12.292
  662   1HB   SER  84          1HB       SER  84  -5.346   0.144  13.075
  663   2HB   SER  84          2HB       SER  84  -3.822   0.977  13.391
  664    HG   SER  84           HG       SER  84  -5.887   1.982  12.209
  665    H    ASP  85           H        ASP  85  -4.802  -0.201   9.346
  666    HA   ASP  85           HA       ASP  85  -6.788  -2.311   9.550
  667   1HB   ASP  85          1HB       ASP  85  -5.553  -0.945   7.107
  668   2HB   ASP  85          2HB       ASP  85  -6.923  -2.056   7.090
  669    H    LEU  86           H        LEU  86  -3.648  -1.909   7.881
  670    HA   LEU  86           HA       LEU  86  -3.368  -4.518   6.943
  671   1HB   LEU  86          1HB       LEU  86  -1.954  -2.458   6.386
  672   2HB   LEU  86          2HB       LEU  86  -1.124  -2.710   7.921
  673    HG   LEU  86           HG       LEU  86  -0.475  -5.031   7.100
  674   1HD1  LEU  86          3HD1      LEU  86  -1.727  -4.004   4.517
  675   2HD1  LEU  86          1HD1      LEU  86  -0.562  -5.348   4.587
  676   3HD1  LEU  86          2HD1      LEU  86  -2.121  -5.480   5.404
  677   1HD2  LEU  86          2HD2      LEU  86   0.416  -2.605   5.506
  678   2HD2  LEU  86          3HD2      LEU  86   1.057  -3.171   7.058
  679   3HD2  LEU  86          1HD2      LEU  86   1.294  -4.151   5.607
  680    H    VAL  87           H        VAL  87  -2.653  -3.259  10.275
  681    HA   VAL  87           HA       VAL  87  -1.304  -5.577  11.148
  682    HB   VAL  87           HB       VAL  87  -2.660  -3.176  12.345
  683   1HG1  VAL  87          3HG1      VAL  87  -1.868  -5.585  14.005
  684   2HG1  VAL  87          1HG1      VAL  87  -2.196  -3.948  14.628
  685   3HG1  VAL  87          2HG1      VAL  87  -3.491  -4.867  13.857
  686   1HG2  VAL  87          2HG2      VAL  87  -0.241  -3.296  11.580
  687   2HG2  VAL  87          3HG2      VAL  87  -0.490  -2.766  13.257
  688   3HG2  VAL  87          1HG2      VAL  87   0.056  -4.422  12.904
  689    H    SER  88           H        SER  88  -4.878  -4.731  11.130
  690    HA   SER  88           HA       SER  88  -5.715  -7.044  12.584
  691   1HB   SER  88          1HB       SER  88  -6.998  -5.065  10.729
  692   2HB   SER  88          2HB       SER  88  -7.665  -6.682  10.622
  693    HG   SER  88           HG       SER  88  -8.476  -5.067  12.291
  694    H    LEU  89           H        LEU  89  -5.574  -6.333   9.081
  695    HA   LEU  89           HA       LEU  89  -6.363  -8.887   8.221
  696   1HB   LEU  89          1HB       LEU  89  -4.790  -6.671   6.836
  697   2HB   LEU  89          2HB       LEU  89  -5.172  -8.185   6.067
  698    HG   LEU  89           HG       LEU  89  -7.647  -7.723   6.681
  699   1HD1  LEU  89          2HD1      LEU  89  -6.552  -4.886   6.636
  700   2HD1  LEU  89          3HD1      LEU  89  -8.259  -5.337   6.507
  701   3HD1  LEU  89          1HD1      LEU  89  -7.385  -5.683   7.996
  702   1HD2  LEU  89          1HD2      LEU  89  -6.157  -6.268   4.458
  703   2HD2  LEU  89          2HD2      LEU  89  -6.799  -7.931   4.404
  704   3HD2  LEU  89          3HD2      LEU  89  -7.906  -6.560   4.507
  705    H    GLN  90           H        GLN  90  -3.061  -7.665   9.068
  706    HA   GLN  90           HA       GLN  90  -1.687 -10.071   8.278
  707   1HB   GLN  90          1HB       GLN  90  -0.589  -8.014   8.504
  708   2HB   GLN  90          2HB       GLN  90  -0.844  -8.062  10.247
  709   1HG   GLN  90          1HG       GLN  90   1.276  -8.895   9.480
  710   2HG   GLN  90          2HG       GLN  90   0.471 -10.098  10.464
  711   1HE2  GLN  90          2HE2      GLN  90   0.403 -12.440   7.660
  712   2HE2  GLN  90          1HE2      GLN  90  -0.578 -11.945   9.023
  713    H    GLN  91           H        GLN  91  -3.124  -8.970  11.514
  714    HA   GLN  91           HA       GLN  91  -2.065 -10.909  13.067
  715   1HB   GLN  91          1HB       GLN  91  -3.913  -8.615  13.234
  716   2HB   GLN  91          2HB       GLN  91  -4.655  -9.952  13.996
  717   1HG   GLN  91          1HG       GLN  91  -2.242 -10.230  15.089
  718   2HG   GLN  91          2HG       GLN  91  -2.187  -8.503  14.781
  719   1HE2  GLN  91          2HE2      GLN  91  -4.679  -9.869  17.723
  720   2HE2  GLN  91          1HE2      GLN  91  -3.768 -11.015  16.755
  721    H    SER  92           H        SER  92  -5.515 -10.671  11.965
  722    HA   SER  92           HA       SER  92  -5.950 -13.472  12.717
  723   1HB   SER  92          1HB       SER  92  -7.655 -11.561  12.891
  724   2HB   SER  92          2HB       SER  92  -7.834 -11.717  11.127
  725    HG   SER  92           HG       SER  92  -8.301 -13.967  11.557
  726    H    GLY  93           H        GLY  93  -4.688 -11.824   9.964
  727   1HA   GLY  93          1HA       GLY  93  -3.658 -12.864   8.220
  728   2HA   GLY  93          2HA       GLY  93  -4.500 -14.368   8.574
  729    H    GLU  94           H        GLU  94  -6.550 -11.367   8.148
  730    HA   GLU  94           HA       GLU  94  -7.757 -12.690   5.892
  731   1HB   GLU  94          1HB       GLU  94  -9.110 -11.313   7.296
  732   2HB   GLU  94          2HB       GLU  94  -8.092  -9.893   7.011
  733   1HG   GLU  94          1HG       GLU  94  -8.774  -9.740   4.711
  734   2HG   GLU  94          2HG       GLU  94  -9.425 -11.388   4.728
  735    H    LEU  95           H        LEU  95  -5.026 -10.596   6.331
  736    HA   LEU  95           HA       LEU  95  -4.743  -9.331   3.864
  737   1HB   LEU  95          1HB       LEU  95  -3.290  -9.100   5.945
  738   2HB   LEU  95          2HB       LEU  95  -2.512 -10.606   5.530
  739    HG   LEU  95           HG       LEU  95  -1.492  -9.588   3.586
  740   1HD1  LEU  95          3HD1      LEU  95  -3.283  -7.185   4.171
  741   2HD1  LEU  95          1HD1      LEU  95  -1.876  -7.127   3.088
  742   3HD1  LEU  95          2HD1      LEU  95  -3.235  -8.169   2.689
  743   1HD2  LEU  95          3HD2      LEU  95  -1.419  -7.731   6.017
  744   2HD2  LEU  95          1HD2      LEU  95  -0.446  -9.193   5.788
  745   3HD2  LEU  95          2HD2      LEU  95  -0.195  -7.796   4.741
  746    H    LEU  96           H        LEU  96  -4.060 -12.679   4.761
  747    HA   LEU  96           HA       LEU  96  -2.537 -13.394   2.442
  748   1HB   LEU  96          1HB       LEU  96  -4.238 -15.031   4.405
  749   2HB   LEU  96          2HB       LEU  96  -3.280 -15.752   3.138
  750    HG   LEU  96           HG       LEU  96  -2.288 -15.893   5.398
  751   1HD1  LEU  96          2HD1      LEU  96  -0.947 -16.174   3.412
  752   2HD1  LEU  96          3HD1      LEU  96  -0.630 -14.419   3.327
  753   3HD1  LEU  96          1HD1      LEU  96  -0.005 -15.398   4.677
  754   1HD2  LEU  96          3HD2      LEU  96  -2.828 -13.603   6.240
  755   2HD2  LEU  96          1HD2      LEU  96  -1.145 -14.074   6.450
  756   3HD2  LEU  96          2HD2      LEU  96  -1.572 -12.944   5.155
  757    H    THR  97           H        THR  97  -6.011 -13.734   3.268
  758    HA   THR  97           HA       THR  97  -6.778 -14.882   0.764
  759    HB   THR  97           HB       THR  97  -8.301 -13.381   2.966
  760    HG1  THR  97           HG1      THR  97  -8.457 -15.427   3.862
  761   1HG2  THR  97          3HG2      THR  97  -9.688 -13.619   0.889
  762   2HG2  THR  97          1HG2      THR  97  -9.414 -15.378   0.937
  763   3HG2  THR  97          2HG2      THR  97 -10.289 -14.548   2.254
  764    H    ARG  98           H        ARG  98  -6.840 -11.520   2.037
  765    HA   ARG  98           HA       ARG  98  -7.924 -10.210  -0.189
  766   1HB   ARG  98          1HB       ARG  98  -7.266  -9.247   2.082
  767   2HB   ARG  98          2HB       ARG  98  -5.608  -9.181   1.498
  768   1HG   ARG  98          1HG       ARG  98  -6.027  -7.214   0.520
  769   2HG   ARG  98          2HG       ARG  98  -7.208  -7.978  -0.554
  770   1HD   ARG  98          1HD       ARG  98  -7.753  -6.771   2.149
  771   2HD   ARG  98          2HD       ARG  98  -8.175  -6.096   0.564
  772    HE   ARG  98           HE       ARG  98  -9.527  -8.227   0.213
  773   1HH1  ARG  98          2HH2      ARG  98  -9.773  -6.263   3.117
  774   2HH1  ARG  98          1HH2      ARG  98 -11.011  -7.272   3.814
  775   1HH2  ARG  98          2HH1      ARG  98 -10.919  -9.690   1.269
  776   2HH2  ARG  98          1HH1      ARG  98 -11.644  -9.256   2.786
  777    H    LEU  99           H        LEU  99  -4.497 -11.191   0.414
  778    HA   LEU  99           HA       LEU  99  -3.556 -10.164  -2.123
  779   1HB   LEU  99          1HB       LEU  99  -2.511 -12.095   0.004
  780   2HB   LEU  99          2HB       LEU  99  -1.581 -11.773  -1.445
  781    HG   LEU  99           HG       LEU  99  -2.503  -9.471   0.307
  782   1HD1  LEU  99          3HD1      LEU  99  -0.052 -11.231   0.602
  783   2HD1  LEU  99          1HD1      LEU  99  -0.262  -9.641   1.400
  784   3HD1  LEU  99          2HD1      LEU  99  -1.330 -11.001   1.781
  785   1HD2  LEU  99          3HD2      LEU  99  -0.151  -9.885  -1.599
  786   2HD2  LEU  99          1HD2      LEU  99  -1.627  -8.994  -1.978
  787   3HD2  LEU  99          2HD2      LEU  99  -0.531  -8.395  -0.715
  788    H    LYS 100           H        LYS 100  -4.305 -13.516  -1.025
  789    HA   LYS 100           HA       LYS 100  -3.557 -14.719  -3.467
  790   1HB   LYS 100          1HB       LYS 100  -5.379 -15.446  -1.167
  791   2HB   LYS 100          2HB       LYS 100  -5.350 -16.477  -2.587
  792   1HG   LYS 100          1HG       LYS 100  -2.808 -16.527  -2.432
  793   2HG   LYS 100          2HG       LYS 100  -2.916 -15.547  -0.987
  794   1HD   LYS 100          1HD       LYS 100  -2.903 -17.506   0.137
  795   2HD   LYS 100          2HD       LYS 100  -4.611 -17.629  -0.269
  796   1HE   LYS 100          1HE       LYS 100  -2.301 -18.742  -1.935
  797   2HE   LYS 100          2HE       LYS 100  -3.182 -19.678  -0.736
  798   1HZ   LYS 100          1HZ       LYS 100  -4.943 -18.548  -2.712
  799   2HZ   LYS 100          2HZ       LYS 100  -3.765 -19.510  -3.342
  800   3HZ   LYS 100          3HZ       LYS 100  -4.794 -20.072  -2.187
  801    H    GLN 101           H        GLN 101  -6.578 -13.128  -2.656
  802    HA   GLN 101           HA       GLN 101  -8.189 -13.727  -4.830
  803   1HB   GLN 101          1HB       GLN 101  -8.502 -12.065  -2.837
  804   2HB   GLN 101          2HB       GLN 101  -7.677 -10.902  -3.872
  805   1HG   GLN 101          1HG       GLN 101  -9.496 -11.397  -5.627
  806   2HG   GLN 101          2HG       GLN 101 -10.343 -12.251  -4.322
  807   1HE2  GLN 101          2HE2      GLN 101 -10.128  -8.138  -4.356
  808   2HE2  GLN 101          1HE2      GLN 101  -9.335  -9.107  -5.574
  809    H    ILE 102           H        ILE 102  -5.269 -11.570  -4.809
  810    HA   ILE 102           HA       ILE 102  -5.872 -10.814  -7.589
  811    HB   ILE 102           HB       ILE 102  -4.583  -8.919  -7.237
  812   1HG1  ILE 102          1HG1      ILE 102  -3.637  -9.147  -4.474
  813   2HG1  ILE 102          2HG1      ILE 102  -3.043 -10.468  -5.426
  814   1HG2  ILE 102          1HG2      ILE 102  -6.775  -8.995  -6.036
  815   2HG2  ILE 102          2HG2      ILE 102  -5.904  -9.418  -4.543
  816   3HG2  ILE 102          3HG2      ILE 102  -5.586  -7.872  -5.325
  817   1HD1  ILE 102          2HD1      ILE 102  -2.110  -8.935  -7.087
  818   2HD1  ILE 102          3HD1      ILE 102  -2.756  -7.548  -6.165
  819   3HD1  ILE 102          1HD1      ILE 102  -1.488  -8.585  -5.469
  820    H    GLY 103           H        GLY 103  -4.356 -13.429  -6.513
  821   1HA   GLY 103          1HA       GLY 103  -2.980 -14.886  -7.663
  822   2HA   GLY 103          2HA       GLY 103  -2.714 -13.665  -8.896
  823    H    ALA 104           H        ALA 104  -2.053 -13.854  -5.415
  824    HA   ALA 104           HA       ALA 104   0.679 -12.637  -5.780
  825   1HB   ALA 104          3HB       ALA 104  -1.351 -12.675  -3.464
  826   2HB   ALA 104          1HB       ALA 104   0.198 -11.841  -3.414
  827   3HB   ALA 104          2HB       ALA 104  -1.080 -11.287  -4.532
  828    H    LEU 105           H        LEU 105  -0.813 -14.771  -3.019
  829    HA   LEU 105           HA       LEU 105   1.912 -15.664  -2.676
  830   1HB   LEU 105          1HB       LEU 105  -0.718 -16.524  -1.469
  831   2HB   LEU 105          2HB       LEU 105   0.767 -17.316  -1.222
  832    HG   LEU 105           HG       LEU 105   1.790 -15.169  -0.332
  833   1HD1  LEU 105          1HD1      LEU 105  -1.140 -14.336  -0.138
  834   2HD1  LEU 105          2HD1      LEU 105   0.223 -13.547   0.674
  835   3HD1  LEU 105          3HD1      LEU 105   0.129 -13.522  -1.088
  836   1HD2  LEU 105          1HD2      LEU 105   1.098 -17.101   1.046
  837   2HD2  LEU 105          2HD2      LEU 105   0.885 -15.565   1.888
  838   3HD2  LEU 105          3HD2      LEU 105  -0.527 -16.415   1.185
  839    H    GLN 106           H        GLN 106   2.451 -17.704  -2.944
  840    HA   GLN 106           HA       GLN 106   1.502 -18.761  -5.548
  841   1HB   GLN 106          2HB       GLN 106   3.887 -18.184  -5.223
  842   2HB   GLN 106          3HB       GLN 106   4.039 -19.463  -4.012
  843   1HG   GLN 106          2HG       GLN 106   3.385 -21.151  -5.728
  844   2HG   GLN 106          3HG       GLN 106   3.141 -19.864  -6.909
  845   1HE2  GLN 106          2HE2      GLN 106   6.769 -21.526  -6.651
  846   2HE2  GLN 106          1HE2      GLN 106   5.346 -22.180  -5.830
   
  No H/Q in entry =         846
  Start of MODEL   12
    1   1H    ALA   2          3H        ALA   2  -0.701  15.085  -9.447
    2   2H    ALA   2          1H        ALA   2  -2.149  15.610  -8.895
    3   3H    ALA   2          2H        ALA   2  -0.847  15.717  -7.918
    4    HA   ALA   2           HA       ALA   2  -0.629  13.307  -7.969
    5   1HB   ALA   2          1HB       ALA   2  -3.301  14.328  -6.925
    6   2HB   ALA   2          2HB       ALA   2  -2.591  12.734  -6.559
    7   3HB   ALA   2          3HB       ALA   2  -1.765  14.201  -6.036
    8    H    GLN   3           H        GLN   3  -4.080  13.054  -8.438
    9    HA   GLN   3           HA       GLN   3  -5.447  12.233  -9.949
   10   1HB   GLN   3          1HB       GLN   3  -4.791  14.600 -10.497
   11   2HB   GLN   3          2HB       GLN   3  -3.821  13.951 -11.825
   12   1HG   GLN   3          1HG       GLN   3  -5.820  13.088 -12.910
   13   2HG   GLN   3          2HG       GLN   3  -6.809  13.436 -11.479
   14   1HE2  GLN   3          2HE2      GLN   3  -7.676  16.585 -12.855
   15   2HE2  GLN   3          1HE2      GLN   3  -8.149  15.133 -11.987
   16    H    GLU   4           H        GLU   4  -2.283  11.259 -10.613
   17    HA   GLU   4           HA       GLU   4  -2.994   9.061 -12.403
   18   1HB   GLU   4          1HB       GLU   4  -2.731  11.119 -13.793
   19   2HB   GLU   4          2HB       GLU   4  -1.105  11.339 -13.123
   20   1HG   GLU   4          1HG       GLU   4  -0.414   9.158 -14.070
   21   2HG   GLU   4          2HG       GLU   4  -2.057   8.870 -14.654
   22    H    PHE   5           H        PHE   5  -0.436  10.950 -10.611
   23    HA   PHE   5           HA       PHE   5   1.585   9.100 -10.538
   24   1HB   PHE   5          1HB       PHE   5   1.642  11.320  -9.457
   25   2HB   PHE   5          2HB       PHE   5   0.554  10.760  -8.196
   26    HD1  PHE   5          1HD       PHE   5   1.354   9.213  -6.414
   27    HD2  PHE   5          2HD       PHE   5   4.002  10.618  -9.520
   28    HE1  PHE   5          1HE       PHE   5   3.307   8.451  -5.093
   29    HE2  PHE   5          2HE       PHE   5   5.947   9.814  -8.197
   30    HZ   PHE   5           HZ       PHE   5   5.605   8.760  -5.976
   31    H    VAL   6           H        VAL   6  -1.248   9.058  -8.361
   32    HA   VAL   6           HA       VAL   6  -0.532   6.491  -7.201
   33    HB   VAL   6           HB       VAL   6  -2.852   8.410  -7.003
   34   1HG1  VAL   6          1HG1      VAL   6  -2.847   5.642  -5.771
   35   2HG1  VAL   6          2HG1      VAL   6  -3.965   6.954  -5.360
   36   3HG1  VAL   6          3HG1      VAL   6  -3.996   6.250  -6.981
   37   1HG2  VAL   6          1HG2      VAL   6  -0.746   8.746  -5.623
   38   2HG2  VAL   6          2HG2      VAL   6  -2.188   8.499  -4.634
   39   3HG2  VAL   6          3HG2      VAL   6  -1.042   7.186  -4.856
   40    H    ASN   7           H        ASN   7  -2.860   7.571  -9.739
   41    HA   ASN   7           HA       ASN   7  -4.115   5.013  -9.868
   42   1HB   ASN   7          1HB       ASN   7  -4.127   7.272 -11.912
   43   2HB   ASN   7          2HB       ASN   7  -5.185   5.869 -11.955
   44   1HD2  ASN   7          2HD2      ASN   7  -6.658   8.961 -10.081
   45   2HD2  ASN   7          1HD2      ASN   7  -5.600   9.001 -11.441
   46    H    CYS   8           H        CYS   8  -1.368   6.346 -11.700
   47    HA   CYS   8           HA       CYS   8  -1.395   4.201 -13.694
   48   1HB   CYS   8          1HB       CYS   8  -0.202   6.801 -13.487
   49   2HB   CYS   8          2HB       CYS   8   1.136   5.653 -13.473
   50    HG   CYS   8           HG       CYS   8   0.375   4.313 -15.593
   51    H    LYS   9           H        LYS   9  -0.209   4.617 -10.442
   52    HA   LYS   9           HA       LYS   9   1.809   2.509 -10.730
   53   1HB   LYS   9          1HB       LYS   9   0.739   4.133  -8.417
   54   2HB   LYS   9          2HB       LYS   9   1.604   2.628  -8.110
   55   1HG   LYS   9          1HG       LYS   9   2.747   4.838  -9.871
   56   2HG   LYS   9          2HG       LYS   9   2.996   4.750  -8.130
   57   1HD   LYS   9          1HD       LYS   9   3.889   2.361  -8.486
   58   2HD   LYS   9          2HD       LYS   9   3.910   2.711 -10.205
   59   1HE   LYS   9          1HE       LYS   9   5.353   4.358  -8.083
   60   2HE   LYS   9          2HE       LYS   9   6.085   3.043  -9.006
   61   1HZ   LYS   9          2HZ       LYS   9   5.684   4.291 -11.029
   62   2HZ   LYS   9          3HZ       LYS   9   5.046   5.550 -10.158
   63   3HZ   LYS   9          1HZ       LYS   9   6.604   5.133  -9.973
   64    H    ILE  10           H        ILE  10  -1.471   2.709  -9.067
   65    HA   ILE  10           HA       ILE  10  -1.238  -0.117  -8.581
   66    HB   ILE  10           HB       ILE  10  -3.887   1.288  -8.568
   67   1HG1  ILE  10          1HG1      ILE  10  -2.549   1.467  -5.935
   68   2HG1  ILE  10          2HG1      ILE  10  -1.810   2.521  -7.113
   69   1HG2  ILE  10          2HG2      ILE  10  -2.569  -0.869  -6.860
   70   2HG2  ILE  10          3HG2      ILE  10  -4.148  -0.163  -6.514
   71   3HG2  ILE  10          1HG2      ILE  10  -3.905  -1.057  -8.024
   72   1HD1  ILE  10          2HD1      ILE  10  -4.808   2.405  -6.648
   73   2HD1  ILE  10          3HD1      ILE  10  -3.714   3.592  -5.916
   74   3HD1  ILE  10          1HD1      ILE  10  -3.926   3.554  -7.680
   75    H    GLN  11           H        GLN  11  -2.280  -1.834  -9.586
   76    HA   GLN  11           HA       GLN  11  -4.063  -1.427 -11.857
   77   1HB   GLN  11          1HB       GLN  11  -2.862  -3.184 -13.159
   78   2HB   GLN  11          2HB       GLN  11  -1.936  -1.709 -12.951
   79   1HG   GLN  11          1HG       GLN  11  -0.703  -2.812 -11.038
   80   2HG   GLN  11          2HG       GLN  11  -1.492  -4.332 -11.474
   81   1HE2  GLN  11          2HE2      GLN  11   0.514  -4.401 -14.628
   82   2HE2  GLN  11          1HE2      GLN  11  -1.204  -4.326 -14.372
   83    HA   PRO  12           HA       PRO  12  -5.967  -4.656  -9.414
   84   1HB   PRO  12          1HB       PRO  12  -7.737  -5.845 -11.072
   85   2HB   PRO  12          2HB       PRO  12  -7.853  -4.128 -10.594
   86   1HG   PRO  12          1HG       PRO  12  -6.662  -5.261 -13.150
   87   2HG   PRO  12          2HG       PRO  12  -7.846  -3.926 -12.979
   88   1HD   PRO  12          1HD       PRO  12  -5.124  -3.541 -13.221
   89   2HD   PRO  12          2HD       PRO  12  -6.182  -2.415 -12.316
   90    H    GLY  13           H        GLY  13  -3.595  -5.418  -9.568
   91   1HA   GLY  13          1HA       GLY  13  -3.322  -8.167  -9.319
   92   2HA   GLY  13          2HA       GLY  13  -3.008  -7.838 -11.006
   93    H    LYS  14           H        LYS  14  -2.251  -5.790  -8.136
   94    HA   LYS  14           HA       LYS  14   0.536  -6.527  -8.075
   95   1HB   LYS  14          1HB       LYS  14  -0.337  -3.899  -9.189
   96   2HB   LYS  14          2HB       LYS  14   0.598  -3.721  -7.742
   97   1HG   LYS  14          1HG       LYS  14   2.262  -5.427  -8.958
   98   2HG   LYS  14          2HG       LYS  14   1.501  -4.749 -10.399
   99   1HD   LYS  14          1HD       LYS  14   2.037  -2.423  -9.440
  100   2HD   LYS  14          2HD       LYS  14   2.859  -3.233  -8.107
  101   1HE   LYS  14          1HE       LYS  14   4.602  -2.693  -9.519
  102   2HE   LYS  14          2HE       LYS  14   4.300  -4.406  -9.867
  103   1HZ   LYS  14          2HZ       LYS  14   2.831  -3.428 -11.751
  104   2HZ   LYS  14          3HZ       LYS  14   3.626  -2.026 -11.467
  105   3HZ   LYS  14          1HZ       LYS  14   4.454  -3.354 -11.966
  106    H    VAL  15           H        VAL  15   1.474  -5.441  -6.006
  107    HA   VAL  15           HA       VAL  15  -0.676  -4.617  -4.146
  108    HB   VAL  15           HB       VAL  15   1.913  -6.038  -3.426
  109   1HG1  VAL  15          1HG1      VAL  15  -0.512  -5.049  -1.934
  110   2HG1  VAL  15          2HG1      VAL  15   0.687  -6.140  -1.179
  111   3HG1  VAL  15          3HG1      VAL  15   1.126  -4.501  -1.692
  112   1HG2  VAL  15          2HG2      VAL  15  -0.900  -7.145  -3.681
  113   2HG2  VAL  15          3HG2      VAL  15   0.592  -7.731  -4.440
  114   3HG2  VAL  15          1HG2      VAL  15   0.375  -7.917  -2.703
  115    H    VAL  16           H        VAL  16  -0.515  -2.387  -4.534
  116    HA   VAL  16           HA       VAL  16   2.221  -1.218  -4.546
  117    HB   VAL  16           HB       VAL  16  -0.486  -0.153  -5.416
  118   1HG1  VAL  16          3HG1      VAL  16   2.184   1.292  -5.305
  119   2HG1  VAL  16          1HG1      VAL  16   0.720   1.888  -6.128
  120   3HG1  VAL  16          2HG1      VAL  16   0.733   1.712  -4.375
  121   1HG2  VAL  16          2HG2      VAL  16   2.133  -0.885  -6.817
  122   2HG2  VAL  16          3HG2      VAL  16   0.557  -1.655  -7.022
  123   3HG2  VAL  16          1HG2      VAL  16   0.817  -0.012  -7.617
  124    H    VAL  17           H        VAL  17   2.859   0.077  -2.821
  125    HA   VAL  17           HA       VAL  17   0.747   0.822  -0.834
  126    HB   VAL  17           HB       VAL  17   3.586   0.174  -0.035
  127   1HG1  VAL  17          1HG1      VAL  17   1.002   0.430   1.544
  128   2HG1  VAL  17          2HG1      VAL  17   2.588  -0.006   2.221
  129   3HG1  VAL  17          3HG1      VAL  17   2.331   1.590   1.508
  130   1HG2  VAL  17          3HG2      VAL  17   1.237  -1.755  -0.024
  131   2HG2  VAL  17          1HG2      VAL  17   2.764  -1.925  -0.910
  132   3HG2  VAL  17          2HG2      VAL  17   2.778  -1.995   0.847
  133    H    PHE  18           H        PHE  18   0.587   3.003  -0.790
  134    HA   PHE  18           HA       PHE  18   2.818   4.653  -1.793
  135   1HB   PHE  18          1HB       PHE  18   0.081   5.437  -0.722
  136   2HB   PHE  18          2HB       PHE  18   1.243   6.558  -1.451
  137    HD1  PHE  18          2HD       PHE  18   2.076   6.236  -3.785
  138    HD2  PHE  18          1HD       PHE  18  -1.288   4.063  -2.183
  139    HE1  PHE  18          2HE       PHE  18   1.387   5.602  -6.089
  140    HE2  PHE  18          1HE       PHE  18  -1.955   3.418  -4.485
  141    HZ   PHE  18           HZ       PHE  18  -0.622   4.204  -6.433
  142    H    ILE  19           H        ILE  19   4.395   5.330  -0.484
  143    HA   ILE  19           HA       ILE  19   4.157   5.197   2.466
  144    HB   ILE  19           HB       ILE  19   6.401   4.183   2.546
  145   1HG1  ILE  19          1HG1      ILE  19   6.458   3.164  -0.229
  146   2HG1  ILE  19          2HG1      ILE  19   6.652   4.890  -0.146
  147   1HG2  ILE  19          2HG2      ILE  19   4.441   2.730   2.725
  148   2HG2  ILE  19          3HG2      ILE  19   4.507   2.420   0.972
  149   3HG2  ILE  19          1HG2      ILE  19   5.840   1.904   2.029
  150   1HD1  ILE  19          1HD1      ILE  19   8.362   2.926   1.408
  151   2HD1  ILE  19          2HD1      ILE  19   8.840   3.812  -0.060
  152   3HD1  ILE  19          3HD1      ILE  19   8.520   4.696   1.436
  153    H    LYS  20           H        LYS  20   6.594   6.102   3.229
  154    HA   LYS  20           HA       LYS  20   7.530   8.336   1.577
  155   1HB   LYS  20          1HB       LYS  20   7.552   9.774   3.739
  156   2HB   LYS  20          2HB       LYS  20   6.037   9.611   2.843
  157   1HG   LYS  20          1HG       LYS  20   5.197   8.085   4.538
  158   2HG   LYS  20          2HG       LYS  20   6.807   7.948   5.247
  159   1HD   LYS  20          1HD       LYS  20   5.168   9.477   6.485
  160   2HD   LYS  20          2HD       LYS  20   6.764  10.148   6.123
  161   1HE   LYS  20          1HE       LYS  20   5.833  11.364   4.166
  162   2HE   LYS  20          2HE       LYS  20   4.223  10.708   4.500
  163   1HZ   LYS  20          3HZ       LYS  20   5.805  12.397   6.343
  164   2HZ   LYS  20          1HZ       LYS  20   4.559  12.927   5.402
  165   3HZ   LYS  20          2HZ       LYS  20   4.279  11.867   6.617
  166    HA   PRO  21           HA       PRO  21  11.199   6.616   2.557
  167   1HB   PRO  21          1HB       PRO  21  13.047   8.645   2.827
  168   2HB   PRO  21          2HB       PRO  21  12.148   8.393   1.327
  169   1HG   PRO  21          1HG       PRO  21  11.509  10.310   3.573
  170   2HG   PRO  21          2HG       PRO  21  11.647  10.660   1.815
  171   1HD   PRO  21          1HD       PRO  21   9.263  10.192   2.919
  172   2HD   PRO  21          2HD       PRO  21   9.658   9.490   1.356
  173    H    THR  22           H        THR  22   9.765   8.121   5.189
  174    HA   THR  22           HA       THR  22  11.914   7.464   7.117
  175    HB   THR  22           HB       THR  22  10.779   9.339   8.433
  176    HG1  THR  22           HG1      THR  22   9.949  10.671   6.244
  177   1HG2  THR  22          2HG2      THR  22  12.968   9.634   7.349
  178   2HG2  THR  22          3HG2      THR  22  12.176  10.107   5.836
  179   3HG2  THR  22          1HG2      THR  22  12.002  11.115   7.288
  180    H    CYS  23           H        CSN  23   8.671   8.351   7.843
  181    HA   CYS  23           HA       CSN  23   7.304   7.318   9.451
  182   1HB   CYS  23          2HB       CSN  23   6.363   7.733   7.312
  183   2HB   CYS  23          3HB       CSN  23   6.789   6.096   6.788
  184    HA   PRO  24           HA       PRO  24   8.962   3.291  10.745
  185   1HB   PRO  24          1HB       PRO  24   8.014   3.286  13.302
  186   2HB   PRO  24          2HB       PRO  24   9.456   4.223  12.806
  187   1HG   PRO  24          1HG       PRO  24   6.615   5.212  13.144
  188   2HG   PRO  24          2HG       PRO  24   8.125   5.962  13.740
  189   1HD   PRO  24          1HD       PRO  24   6.844   6.703  11.414
  190   2HD   PRO  24          2HD       PRO  24   8.615   6.840  11.599
  191    H    TYR  25           H        TYR  25   5.781   4.497  10.099
  192    HA   TYR  25           HA       TYR  25   4.457   1.928  10.846
  193   1HB   TYR  25          1HB       TYR  25   3.315   4.493   9.664
  194   2HB   TYR  25          2HB       TYR  25   2.420   3.061  10.107
  195    HD1  TYR  25          2HD       TYR  25   2.336   2.288  12.554
  196    HD2  TYR  25          1HD       TYR  25   4.035   6.066  11.334
  197    HE1  TYR  25          2HE       TYR  25   2.206   3.148  14.911
  198    HE2  TYR  25          1HE       TYR  25   3.898   6.893  13.651
  199    HH   TYR  25           HH       TYR  25   2.987   6.477  15.790
  200    H    CYS  26           H        CYS  26   5.507   3.955   8.031
  201    HA   CYS  26           HA       CYS  26   4.613   2.137   5.983
  202   1HB   CYS  26          1HB       CYS  26   6.979   4.082   6.090
  203   2HB   CYS  26          2HB       CYS  26   6.533   3.123   4.681
  204    HG   CYS  26           HG       CYS  26   4.857   5.437   6.294
  205    H    ARG  27           H        ARG  27   7.789   2.544   7.649
  206    HA   ARG  27           HA       ARG  27   8.971   0.313   6.478
  207   1HB   ARG  27          1HB       ARG  27  10.057   2.190   7.881
  208   2HB   ARG  27          2HB       ARG  27   9.642   1.204   9.297
  209   1HG   ARG  27          1HG       ARG  27  10.812  -0.733   7.999
  210   2HG   ARG  27          2HG       ARG  27  11.468   0.499   6.940
  211   1HD   ARG  27          1HD       ARG  27  11.772   0.737   9.949
  212   2HD   ARG  27          2HD       ARG  27  12.755  -0.420   9.041
  213    HE   ARG  27           HE       ARG  27  12.750   2.317   7.974
  214   1HH1  ARG  27          2HH2      ARG  27  14.396   0.103  10.228
  215   2HH1  ARG  27          1HH2      ARG  27  15.940   0.864  10.082
  216   1HH2  ARG  27          2HH1      ARG  27  14.790   3.285   7.699
  217   2HH2  ARG  27          1HH1      ARG  27  16.179   2.677   8.564
  218    H    ARG  28           H        ARG  28   7.099   0.353   9.576
  219    HA   ARG  28           HA       ARG  28   7.254  -2.418  10.141
  220   1HB   ARG  28          1HB       ARG  28   6.158  -0.847  11.654
  221   2HB   ARG  28          2HB       ARG  28   4.928  -0.476  10.492
  222   1HG   ARG  28          1HG       ARG  28   3.614  -2.171  11.210
  223   2HG   ARG  28          2HG       ARG  28   4.813  -3.346  10.793
  224   1HD   ARG  28          1HD       ARG  28   4.998  -1.859  13.435
  225   2HD   ARG  28          2HD       ARG  28   3.997  -3.298  13.207
  226    HE   ARG  28           HE       ARG  28   6.758  -3.677  12.294
  227   1HH1  ARG  28          2HH2      ARG  28   4.601  -3.902  15.128
  228   2HH1  ARG  28          1HH2      ARG  28   5.588  -5.076  15.926
  229   1HH2  ARG  28          2HH1      ARG  28   7.957  -5.197  13.255
  230   2HH2  ARG  28          1HH1      ARG  28   7.529  -5.925  14.796
  231    H    ALA  29           H        ALA  29   4.698  -0.705   8.379
  232    HA   ALA  29           HA       ALA  29   3.259  -2.961   7.533
  233   1HB   ALA  29          3HB       ALA  29   2.409  -0.687   7.227
  234   2HB   ALA  29          1HB       ALA  29   3.616  -0.406   5.935
  235   3HB   ALA  29          2HB       ALA  29   2.334  -1.611   5.710
  236    H    GLN  30           H        GLN  30   6.170  -1.576   6.039
  237    HA   GLN  30           HA       GLN  30   6.358  -3.308   3.815
  238   1HB   GLN  30          1HB       GLN  30   8.049  -1.362   5.232
  239   2HB   GLN  30          2HB       GLN  30   9.006  -2.755   4.748
  240   1HG   GLN  30          1HG       GLN  30   8.898  -2.241   2.570
  241   2HG   GLN  30          2HG       GLN  30   7.174  -1.883   2.654
  242   1HE2  GLN  30          2HE2      GLN  30   9.766   1.199   2.504
  243   2HE2  GLN  30          1HE2      GLN  30  10.170  -0.446   2.010
  244    H    GLU  31           H        GLU  31   7.736  -3.832   7.150
  245    HA   GLU  31           HA       GLU  31   8.801  -6.372   6.168
  246   1HB   GLU  31          1HB       GLU  31   9.685  -6.744   8.306
  247   2HB   GLU  31          2HB       GLU  31   9.755  -4.996   8.146
  248   1HG   GLU  31          1HG       GLU  31   7.429  -5.139   9.439
  249   2HG   GLU  31          2HG       GLU  31   8.021  -6.714   9.921
  250    H    ILE  32           H        ILE  32   5.984  -5.352   7.925
  251    HA   ILE  32           HA       ILE  32   4.784  -7.849   8.537
  252    HB   ILE  32           HB       ILE  32   3.870  -5.025   8.004
  253   1HG1  ILE  32          1HG1      ILE  32   3.805  -6.942  10.376
  254   2HG1  ILE  32          2HG1      ILE  32   4.808  -5.526  10.184
  255   1HG2  ILE  32          2HG2      ILE  32   1.975  -7.337   8.283
  256   2HG2  ILE  32          3HG2      ILE  32   1.530  -5.628   8.530
  257   3HG2  ILE  32          1HG2      ILE  32   2.093  -6.152   6.958
  258   1HD1  ILE  32          1HD1      ILE  32   2.632  -4.147  10.246
  259   2HD1  ILE  32          2HD1      ILE  32   1.817  -5.644  10.745
  260   3HD1  ILE  32          3HD1      ILE  32   3.094  -4.975  11.756
  261    H    LEU  33           H        LEU  33   4.558  -5.818   5.559
  262    HA   LEU  33           HA       LEU  33   2.775  -7.731   4.391
  263   1HB   LEU  33          1HB       LEU  33   4.085  -5.197   3.405
  264   2HB   LEU  33          2HB       LEU  33   3.715  -6.358   2.178
  265    HG   LEU  33           HG       LEU  33   1.576  -5.276   4.065
  266   1HD1  LEU  33          1HD1      LEU  33   2.330  -4.521   1.225
  267   2HD1  LEU  33          2HD1      LEU  33   0.856  -4.024   2.060
  268   3HD1  LEU  33          3HD1      LEU  33   2.437  -3.503   2.681
  269   1HD2  LEU  33          1HD2      LEU  33   1.421  -6.892   1.455
  270   2HD2  LEU  33          2HD2      LEU  33   1.071  -7.543   3.053
  271   3HD2  LEU  33          3HD2      LEU  33   0.044  -6.269   2.379
  272    H    SER  34           H        SER  34   6.228  -6.741   3.850
  273    HA   SER  34           HA       SER  34   6.617  -8.312   1.570
  274   1HB   SER  34          1HB       SER  34   7.944  -6.319   2.457
  275   2HB   SER  34          2HB       SER  34   8.801  -7.461   3.509
  276    HG   SER  34           HG       SER  34   8.673  -7.303   0.675
  277    H    GLN  35           H        GLN  35   6.718  -9.336   4.938
  278    HA   GLN  35           HA       GLN  35   8.338 -11.711   4.489
  279   1HB   GLN  35          1HB       GLN  35   6.525 -10.786   6.745
  280   2HB   GLN  35          2HB       GLN  35   7.372 -12.333   6.770
  281   1HG   GLN  35          1HG       GLN  35   9.537 -11.283   6.674
  282   2HG   GLN  35          2HG       GLN  35   8.837  -9.684   6.564
  283   1HE2  GLN  35          2HE2      GLN  35   7.638  -9.737  10.021
  284   2HE2  GLN  35          1HE2      GLN  35   7.360  -9.063   8.388
  285    H    LEU  36           H        LEU  36   5.291 -11.014   3.257
  286    HA   LEU  36           HA       LEU  36   4.311 -13.786   3.545
  287   1HB   LEU  36          1HB       LEU  36   3.239 -11.292   2.188
  288   2HB   LEU  36          2HB       LEU  36   2.507 -12.870   1.997
  289    HG   LEU  36           HG       LEU  36   2.855 -11.438   4.677
  290   1HD1  LEU  36          3HD1      LEU  36   1.221 -10.329   3.199
  291   2HD1  LEU  36          1HD1      LEU  36   0.365 -11.882   2.994
  292   3HD1  LEU  36          2HD1      LEU  36   0.434 -11.095   4.589
  293   1HD2  LEU  36          2HD2      LEU  36   1.476 -14.055   3.910
  294   2HD2  LEU  36          3HD2      LEU  36   2.802 -13.834   5.075
  295   3HD2  LEU  36          1HD2      LEU  36   1.206 -13.207   5.446
  296    HA   PRO  37           HA       PRO  37   6.469 -14.825  -0.186
  297   1HB   PRO  37          1HB       PRO  37   5.355 -17.225  -0.827
  298   2HB   PRO  37          2HB       PRO  37   6.285 -16.980   0.675
  299   1HG   PRO  37          1HG       PRO  37   3.270 -16.892   0.337
  300   2HG   PRO  37          2HG       PRO  37   4.213 -17.800   1.553
  301   1HD   PRO  37          1HD       PRO  37   3.130 -15.358   2.091
  302   2HD   PRO  37          2HD       PRO  37   4.686 -15.880   2.788
  303    H    ILE  38           H        ILE  38   5.077 -12.760  -0.852
  304    HA   ILE  38           HA       ILE  38   2.834 -13.176  -2.680
  305    HB   ILE  38           HB       ILE  38   4.537 -10.900  -1.603
  306   1HG1  ILE  38          1HG1      ILE  38   1.511 -11.113  -1.729
  307   2HG1  ILE  38          2HG1      ILE  38   2.428 -12.040  -0.531
  308   1HG2  ILE  38          2HG2      ILE  38   2.539 -10.506  -3.873
  309   2HG2  ILE  38          3HG2      ILE  38   3.206  -9.212  -2.859
  310   3HG2  ILE  38          1HG2      ILE  38   4.280 -10.139  -3.891
  311   1HD1  ILE  38          2HD1      ILE  38   3.471  -9.817   0.187
  312   2HD1  ILE  38          3HD1      ILE  38   2.131  -9.064  -0.734
  313   3HD1  ILE  38          1HD1      ILE  38   1.793 -10.144   0.625
  314    H    LYS  39           H        LYS  39   2.902 -13.039  -4.997
  315    HA   LYS  39           HA       LYS  39   4.973 -13.992  -6.308
  316   1HB   LYS  39          1HB       LYS  39   2.584 -12.542  -7.080
  317   2HB   LYS  39          2HB       LYS  39   3.898 -12.370  -8.246
  318   1HG   LYS  39          1HG       LYS  39   3.239 -15.120  -7.172
  319   2HG   LYS  39          2HG       LYS  39   2.169 -14.379  -8.344
  320   1HD   LYS  39          1HD       LYS  39   5.165 -14.868  -8.693
  321   2HD   LYS  39          2HD       LYS  39   3.873 -15.892  -9.331
  322   1HE   LYS  39          1HE       LYS  39   3.016 -13.991 -10.688
  323   2HE   LYS  39          2HE       LYS  39   4.324 -12.968 -10.096
  324   1HZ   LYS  39          2HZ       LYS  39   4.856 -15.450 -11.589
  325   2HZ   LYS  39          3HZ       LYS  39   4.705 -13.977 -12.293
  326   3HZ   LYS  39          1HZ       LYS  39   5.896 -14.257 -11.202
  327    H    GLN  40           H        GLN  40   7.011 -13.234  -6.981
  328    HA   GLN  40           HA       GLN  40   7.813 -10.795  -5.741
  329   1HB   GLN  40          1HB       GLN  40   9.260 -12.878  -6.146
  330   2HB   GLN  40          2HB       GLN  40   9.425 -12.329  -7.817
  331   1HG   GLN  40          1HG       GLN  40  11.346 -11.590  -6.543
  332   2HG   GLN  40          2HG       GLN  40  10.398 -10.180  -6.979
  333   1HE2  GLN  40          2HE2      GLN  40  10.949 -11.125  -3.016
  334   2HE2  GLN  40          1HE2      GLN  40  11.501 -12.212  -4.275
  335    H    GLY  41           H        GLY  41   8.048  -8.737  -6.565
  336   1HA   GLY  41          1HA       GLY  41   8.241  -7.138  -8.281
  337   2HA   GLY  41          2HA       GLY  41   7.606  -8.282  -9.459
  338    H    LEU  42           H        LEU  42   5.383  -8.909  -7.110
  339    HA   LEU  42           HA       LEU  42   3.497  -7.011  -8.188
  340   1HB   LEU  42          1HB       LEU  42   3.282  -8.886  -5.822
  341   2HB   LEU  42          2HB       LEU  42   2.014  -7.879  -6.469
  342    HG   LEU  42           HG       LEU  42   3.261 -10.305  -7.737
  343   1HD1  LEU  42          1HD1      LEU  42   1.382 -10.490  -6.107
  344   2HD1  LEU  42          2HD1      LEU  42   0.404  -9.460  -7.176
  345   3HD1  LEU  42          3HD1      LEU  42   0.928 -11.053  -7.740
  346   1HD2  LEU  42          3HD2      LEU  42   1.471  -8.304  -9.142
  347   2HD2  LEU  42          1HD2      LEU  42   3.116  -8.796  -9.614
  348   3HD2  LEU  42          2HD2      LEU  42   1.790  -9.957  -9.693
  349    H    LEU  43           H        LEU  43   5.482  -7.262  -5.217
  350    HA   LEU  43           HA       LEU  43   3.836  -5.292  -3.865
  351   1HB   LEU  43          1HB       LEU  43   5.045  -7.429  -2.853
  352   2HB   LEU  43          2HB       LEU  43   6.366  -6.315  -2.687
  353    HG   LEU  43           HG       LEU  43   5.492  -5.879  -0.663
  354   1HD1  LEU  43          1HD1      LEU  43   4.880  -3.728  -1.739
  355   2HD1  LEU  43          2HD1      LEU  43   3.254  -4.358  -2.039
  356   3HD1  LEU  43          3HD1      LEU  43   3.831  -4.158  -0.390
  357   1HD2  LEU  43          3HD2      LEU  43   2.882  -7.009  -1.695
  358   2HD2  LEU  43          1HD2      LEU  43   4.080  -7.733  -0.608
  359   3HD2  LEU  43          2HD2      LEU  43   3.092  -6.383  -0.041
  360    H    GLU  44           H        GLU  44   4.122  -3.156  -4.536
  361    HA   GLU  44           HA       GLU  44   6.933  -2.247  -4.930
  362   1HB   GLU  44          1HB       GLU  44   5.648  -2.576  -7.060
  363   2HB   GLU  44          2HB       GLU  44   4.534  -1.298  -6.525
  364   1HG   GLU  44          1HG       GLU  44   6.478   0.249  -6.266
  365   2HG   GLU  44          2HG       GLU  44   7.571  -1.036  -6.791
  366    H    PHE  45           H        PHE  45   7.457  -0.911  -3.374
  367    HA   PHE  45           HA       PHE  45   5.402   0.594  -1.884
  368   1HB   PHE  45          1HB       PHE  45   8.423   0.595  -1.549
  369   2HB   PHE  45          2HB       PHE  45   7.218   1.102  -0.377
  370    HD1  PHE  45          2HD       PHE  45   5.347  -0.934   0.038
  371    HD2  PHE  45          1HD       PHE  45   9.496  -1.406  -0.966
  372    HE1  PHE  45          2HE       PHE  45   5.314  -3.210   1.011
  373    HE2  PHE  45          1HE       PHE  45   9.461  -3.700  -0.024
  374    HZ   PHE  45           HZ       PHE  45   7.359  -4.599   0.987
  375    H    VAL  46           H        VAL  46   5.030   2.788  -2.375
  376    HA   VAL  46           HA       VAL  46   6.662   4.033  -4.515
  377    HB   VAL  46           HB       VAL  46   3.652   4.076  -4.065
  378   1HG1  VAL  46          3HG1      VAL  46   5.413   5.409  -6.178
  379   2HG1  VAL  46          1HG1      VAL  46   3.633   5.392  -6.166
  380   3HG1  VAL  46          2HG1      VAL  46   4.506   6.237  -4.899
  381   1HG2  VAL  46          1HG2      VAL  46   5.347   2.815  -6.273
  382   2HG2  VAL  46          2HG2      VAL  46   4.399   1.950  -5.055
  383   3HG2  VAL  46          3HG2      VAL  46   3.567   2.939  -6.256
  384    H    ASP  47           H        ASP  47   7.913   5.312  -3.325
  385    HA   ASP  47           HA       ASP  47   7.197   6.736  -1.011
  386   1HB   ASP  47          1HB       ASP  47   9.471   6.050  -1.926
  387   2HB   ASP  47          2HB       ASP  47   9.372   7.460  -2.995
  388    H    ILE  48           H        ILE  48   5.661   8.287  -0.878
  389    HA   ILE  48           HA       ILE  48   4.782   9.862  -3.123
  390    HB   ILE  48           HB       ILE  48   3.397  11.059  -1.558
  391   1HG1  ILE  48          1HG1      ILE  48   4.631   9.543   0.771
  392   2HG1  ILE  48          2HG1      ILE  48   5.068  11.172   0.359
  393   1HG2  ILE  48          2HG2      ILE  48   2.779   8.759  -2.381
  394   2HG2  ILE  48          3HG2      ILE  48   3.378   8.086  -0.858
  395   3HG2  ILE  48          1HG2      ILE  48   1.995   9.194  -0.855
  396   1HD1  ILE  48          1HD1      ILE  48   2.635  11.824   0.632
  397   2HD1  ILE  48          2HD1      ILE  48   2.320  10.180   1.213
  398   3HD1  ILE  48          3HD1      ILE  48   3.420  11.237   2.114
  399    H    THR  49           H        THR  49   7.638  10.192  -1.283
  400    HA   THR  49           HA       THR  49   7.770  13.102  -1.737
  401    HB   THR  49           HB       THR  49   9.706  13.129  -0.442
  402    HG1  THR  49           HG1      THR  49   9.698  10.290  -0.503
  403   1HG2  THR  49          3HG2      THR  49   7.598  12.852   0.895
  404   2HG2  THR  49          1HG2      THR  49   7.901  11.105   0.970
  405   3HG2  THR  49          2HG2      THR  49   9.039  12.237   1.716
  406    H    ALA  50           H        ALA  50   8.292  10.223  -3.528
  407    HA   ALA  50           HA       ALA  50  10.663  10.753  -4.915
  408   1HB   ALA  50          3HB       ALA  50   9.455   8.618  -5.053
  409   2HB   ALA  50          1HB       ALA  50   8.126   9.414  -5.933
  410   3HB   ALA  50          2HB       ALA  50   9.729   9.290  -6.669
  411    H    THR  51           H        THR  51   7.531  12.313  -5.283
  412    HA   THR  51           HA       THR  51   8.626  14.026  -7.458
  413    HB   THR  51           HB       THR  51   6.112  14.362  -7.922
  414    HG1  THR  51           HG1      THR  51   4.948  12.389  -7.248
  415   1HG2  THR  51          3HG2      THR  51   7.333  11.604  -8.378
  416   2HG2  THR  51          1HG2      THR  51   5.971  12.322  -9.283
  417   3HG2  THR  51          2HG2      THR  51   7.582  13.040  -9.373
  418    H    ASN  52           H        ASN  52   8.403  14.033  -4.267
  419    HA   ASN  52           HA       ASN  52   7.869  15.303  -2.531
  420   1HB   ASN  52          1HB       ASN  52   9.688  16.564  -3.662
  421   2HB   ASN  52          2HB       ASN  52   8.457  17.624  -4.363
  422   1HD2  ASN  52          2HD2      ASN  52   8.948  19.716  -1.537
  423   2HD2  ASN  52          1HD2      ASN  52   8.970  19.529  -3.268
  424    H    HIS  53           H        HIS  53   5.664  15.582  -5.106
  425    HA   HIS  53           HA       HIS  53   3.785  17.383  -3.981
  426   1HB   HIS  53          1HB       HIS  53   3.531  15.118  -5.986
  427   2HB   HIS  53          2HB       HIS  53   2.149  16.097  -5.493
  428    HD1  HIS  53          1HD       HIS  53   1.899  18.535  -6.471
  429    HD2  HIS  53          2HD       HIS  53   5.327  16.374  -7.626
  430    HE1  HIS  53          1HE       HIS  53   3.022  19.881  -8.294
  431    H    THR  54           H        THR  54   4.812  15.131  -2.098
  432    HA   THR  54           HA       THR  54   2.930  13.396  -1.139
  433    HB   THR  54           HB       THR  54   4.619  13.206   0.215
  434    HG1  THR  54           HG1      THR  54   4.324  14.161   2.247
  435   1HG2  THR  54          2HG2      THR  54   5.177  16.139   0.200
  436   2HG2  THR  54          3HG2      THR  54   6.090  14.899   1.112
  437   3HG2  THR  54          1HG2      THR  54   6.063  14.827  -0.655
  438    H    ASN  55           H        ASN  55   3.183  16.692  -0.148
  439    HA   ASN  55           HA       ASN  55   0.917  16.998   1.422
  440   1HB   ASN  55          1HB       ASN  55   2.581  18.916  -0.172
  441   2HB   ASN  55          2HB       ASN  55   0.987  19.488   0.275
  442   1HD2  ASN  55          2HD2      ASN  55   3.127  18.418   3.609
  443   2HD2  ASN  55          1HD2      ASN  55   3.029  17.256   2.301
  444    H    GLU  56           H        GLU  56   0.734  16.684  -2.104
  445    HA   GLU  56           HA       GLU  56  -2.168  17.307  -1.934
  446   1HB   GLU  56          1HB       GLU  56  -2.138  18.264  -3.895
  447   2HB   GLU  56          2HB       GLU  56  -0.409  18.462  -3.613
  448   1HG   GLU  56          1HG       GLU  56  -0.068  16.286  -4.775
  449   2HG   GLU  56          2HG       GLU  56  -1.804  16.241  -5.116
  450    H    ILE  57           H        ILE  57   0.218  14.818  -2.662
  451    HA   ILE  57           HA       ILE  57  -1.619  12.932  -3.846
  452    HB   ILE  57           HB       ILE  57   1.205  12.902  -2.724
  453   1HG1  ILE  57          1HG1      ILE  57   0.139  11.954  -5.435
  454   2HG1  ILE  57          2HG1      ILE  57   0.475  13.654  -5.107
  455   1HG2  ILE  57          2HG2      ILE  57  -0.352  10.407  -3.547
  456   2HG2  ILE  57          3HG2      ILE  57   1.411  10.478  -3.357
  457   3HG2  ILE  57          1HG2      ILE  57   0.374  10.737  -1.963
  458   1HD1  ILE  57          1HD1      ILE  57   2.832  13.136  -4.586
  459   2HD1  ILE  57          2HD1      ILE  57   2.551  11.438  -4.981
  460   3HD1  ILE  57          3HD1      ILE  57   2.377  12.673  -6.235
  461    H    GLN  58           H        GLN  58  -0.602  13.721  -0.557
  462    HA   GLN  58           HA       GLN  58  -1.650  11.455   0.844
  463   1HB   GLN  58          1HB       GLN  58  -0.811  14.334   1.487
  464   2HB   GLN  58          2HB       GLN  58  -1.737  13.455   2.668
  465   1HG   GLN  58          1HG       GLN  58   0.359  11.664   1.842
  466   2HG   GLN  58          2HG       GLN  58   1.069  13.234   2.099
  467   1HE2  GLN  58          2HE2      GLN  58  -0.152  11.109   5.367
  468   2HE2  GLN  58          1HE2      GLN  58  -0.819  10.622   3.814
  469    H    ASP  59           H        ASP  59  -2.904  14.740   0.221
  470    HA   ASP  59           HA       ASP  59  -5.538  14.592   1.188
  471   1HB   ASP  59          1HB       ASP  59  -4.156  16.541   0.220
  472   2HB   ASP  59          2HB       ASP  59  -4.596  16.006  -1.352
  473    H    TYR  60           H        TYR  60  -4.345  14.161  -2.046
  474    HA   TYR  60           HA       TYR  60  -6.605  13.226  -3.392
  475   1HB   TYR  60          1HB       TYR  60  -4.403  13.788  -4.443
  476   2HB   TYR  60          2HB       TYR  60  -3.778  12.230  -3.915
  477    HD1  TYR  60          2HD       TYR  60  -4.646  10.110  -4.937
  478    HD2  TYR  60          1HD       TYR  60  -5.940  14.004  -6.286
  479    HE1  TYR  60          2HE       TYR  60  -5.723   9.070  -6.920
  480    HE2  TYR  60          1HE       TYR  60  -7.024  12.961  -8.256
  481    HH   TYR  60           HH       TYR  60  -7.668   9.614  -8.479
  482    H    LEU  61           H        LEU  61  -4.251  11.203  -1.564
  483    HA   LEU  61           HA       LEU  61  -5.575   8.714  -2.067
  484   1HB   LEU  61          1HB       LEU  61  -3.580   9.639   0.017
  485   2HB   LEU  61          2HB       LEU  61  -4.281   8.040   0.110
  486    HG   LEU  61           HG       LEU  61  -2.900   9.010  -2.419
  487   1HD1  LEU  61          2HD1      LEU  61  -1.295   9.232  -0.560
  488   2HD1  LEU  61          3HD1      LEU  61  -1.611   7.555  -0.066
  489   3HD1  LEU  61          1HD1      LEU  61  -0.854   7.908  -1.642
  490   1HD2  LEU  61          2HD2      LEU  61  -4.320   6.987  -2.600
  491   2HD2  LEU  61          3HD2      LEU  61  -2.607   6.596  -2.803
  492   3HD2  LEU  61          1HD2      LEU  61  -3.422   6.235  -1.263
  493    H    GLN  62           H        GLN  62  -6.080  11.203   0.478
  494    HA   GLN  62           HA       GLN  62  -7.891   9.568   2.024
  495   1HB   GLN  62          1HB       GLN  62  -6.840  11.780   2.784
  496   2HB   GLN  62          2HB       GLN  62  -8.001  12.603   1.752
  497   1HG   GLN  62          1HG       GLN  62  -9.823  11.267   3.038
  498   2HG   GLN  62          2HG       GLN  62  -8.549  10.866   4.181
  499   1HE2  GLN  62          2HE2      GLN  62 -10.346  14.457   4.421
  500   2HE2  GLN  62          1HE2      GLN  62 -10.919  13.158   3.365
  501    H    GLN  63           H        GLN  63  -8.399  12.084  -0.455
  502    HA   GLN  63           HA       GLN  63 -11.192  11.905  -0.565
  503   1HB   GLN  63          1HB       GLN  63  -9.274  13.491  -1.617
  504   2HB   GLN  63          2HB       GLN  63  -9.590  12.556  -3.041
  505   1HG   GLN  63          1HG       GLN  63 -12.057  13.591  -1.704
  506   2HG   GLN  63          2HG       GLN  63 -10.936  14.832  -2.250
  507   1HE2  GLN  63          2HE2      GLN  63 -13.168  12.878  -5.029
  508   2HE2  GLN  63          1HE2      GLN  63 -13.369  12.610  -3.288
  509    H    LEU  64           H        LEU  64  -8.727  10.129  -2.329
  510    HA   LEU  64           HA       LEU  64 -10.575   8.645  -4.028
  511   1HB   LEU  64          1HB       LEU  64  -8.394   8.895  -4.901
  512   2HB   LEU  64          2HB       LEU  64  -7.651   8.450  -3.366
  513    HG   LEU  64           HG       LEU  64  -8.337   6.072  -3.675
  514   1HD1  LEU  64          3HD1      LEU  64  -9.276   7.188  -6.333
  515   2HD1  LEU  64          1HD1      LEU  64  -8.957   5.462  -6.057
  516   3HD1  LEU  64          2HD1      LEU  64 -10.234   6.290  -5.153
  517   1HD2  LEU  64          2HD2      LEU  64  -6.696   7.320  -5.909
  518   2HD2  LEU  64          3HD2      LEU  64  -6.089   6.871  -4.295
  519   3HD2  LEU  64          1HD2      LEU  64  -6.647   5.622  -5.425
  520    H    THR  65           H        THR  65  -8.784   7.731  -0.972
  521    HA   THR  65           HA       THR  65 -10.208   5.129  -1.115
  522    HB   THR  65           HB       THR  65  -8.527   4.232   0.298
  523    HG1  THR  65           HG1      THR  65  -7.293   6.793   0.345
  524   1HG2  THR  65          3HG2      THR  65  -8.022   4.359  -2.103
  525   2HG2  THR  65          1HG2      THR  65  -7.116   5.875  -1.821
  526   3HG2  THR  65          2HG2      THR  65  -6.570   4.366  -1.087
  527    H    GLY  66           H        GLY  66  -9.091   7.182   1.525
  528   1HA   GLY  66          1HA       GLY  66 -11.472   7.979   2.695
  529   2HA   GLY  66          2HA       GLY  66 -11.234   6.340   3.298
  530    H    ALA  67           H        ALA  67  -8.061   7.137   3.101
  531    HA   ALA  67           HA       ALA  67  -7.991   9.069   5.326
  532   1HB   ALA  67          2HB       ALA  67  -7.850   6.752   6.333
  533   2HB   ALA  67          3HB       ALA  67  -6.363   6.509   5.382
  534   3HB   ALA  67          1HB       ALA  67  -6.429   7.775   6.611
  535    H    ARG  68           H        ARG  68  -6.068  10.283   5.302
  536    HA   ARG  68           HA       ARG  68  -4.541  10.166   2.739
  537   1HB   ARG  68          1HB       ARG  68  -3.251  12.044   3.499
  538   2HB   ARG  68          2HB       ARG  68  -4.934  12.456   3.477
  539   1HG   ARG  68          1HG       ARG  68  -3.801  11.604   6.139
  540   2HG   ARG  68          2HG       ARG  68  -3.185  13.102   5.443
  541   1HD   ARG  68          1HD       ARG  68  -5.436  14.016   5.225
  542   2HD   ARG  68          2HD       ARG  68  -6.132  12.477   5.766
  543    HE   ARG  68           HE       ARG  68  -4.302  13.507   7.723
  544   1HH1  ARG  68          2HH2      ARG  68  -7.610  13.985   6.468
  545   2HH1  ARG  68          1HH2      ARG  68  -8.226  14.553   7.991
  546   1HH2  ARG  68          2HH1      ARG  68  -5.060  14.444   9.622
  547   2HH2  ARG  68          1HH1      ARG  68  -6.712  14.867   9.830
  548    H    THR  69           H        THR  69  -4.271   9.111   6.094
  549    HA   THR  69           HA       THR  69  -1.556   9.580   6.412
  550    HB   THR  69           HB       THR  69  -1.783   7.831   8.250
  551    HG1  THR  69           HG1      THR  69  -3.429   6.668   7.063
  552   1HG2  THR  69          1HG2      THR  69  -3.980   9.957   8.115
  553   2HG2  THR  69          2HG2      THR  69  -3.427   9.135   9.579
  554   3HG2  THR  69          3HG2      THR  69  -2.317  10.201   8.693
  555    H    VAL  70           H        VAL  70   0.265   8.517   5.939
  556    HA   VAL  70           HA       VAL  70   0.003   6.153   4.210
  557    HB   VAL  70           HB       VAL  70   2.595   6.605   4.041
  558   1HG1  VAL  70          1HG1      VAL  70   0.903   6.793   2.221
  559   2HG1  VAL  70          2HG1      VAL  70   0.554   8.456   2.729
  560   3HG1  VAL  70          3HG1      VAL  70   2.168   8.019   2.107
  561   1HG2  VAL  70          3HG2      VAL  70   2.676   8.434   5.772
  562   2HG2  VAL  70          1HG2      VAL  70   3.189   8.968   4.148
  563   3HG2  VAL  70          2HG2      VAL  70   1.603   9.416   4.750
  564    HA   PRO  71           HA       PRO  71   1.707   4.380   3.700
  565   1HB   PRO  71          1HB       PRO  71   1.320   1.676   4.038
  566   2HB   PRO  71          2HB       PRO  71   2.870   2.499   4.378
  567   1HG   PRO  71          1HG       PRO  71   0.669   1.795   6.350
  568   2HG   PRO  71          2HG       PRO  71   2.426   1.488   6.495
  569   1HD   PRO  71          1HD       PRO  71   1.310   3.625   7.686
  570   2HD   PRO  71          2HD       PRO  71   2.900   3.759   6.906
  571    H    ARG  72           H        ARG  72   0.156   3.620   2.119
  572    HA   ARG  72           HA       ARG  72  -2.551   2.821   3.107
  573   1HB   ARG  72          1HB       ARG  72  -1.996   4.616   0.705
  574   2HB   ARG  72          2HB       ARG  72  -3.534   3.830   1.027
  575   1HG   ARG  72          1HG       ARG  72  -2.211   5.920   2.786
  576   2HG   ARG  72          2HG       ARG  72  -3.515   6.225   1.655
  577   1HD   ARG  72          1HD       ARG  72  -3.751   4.394   4.076
  578   2HD   ARG  72          2HD       ARG  72  -4.237   6.089   4.036
  579    HE   ARG  72           HE       ARG  72  -5.690   5.186   1.985
  580   1HH1  ARG  72          2HH2      ARG  72  -5.380   4.021   5.310
  581   2HH1  ARG  72          1HH2      ARG  72  -7.016   3.466   5.444
  582   1HH2  ARG  72          2HH1      ARG  72  -7.816   4.448   2.106
  583   2HH2  ARG  72          1HH1      ARG  72  -8.449   3.656   3.481
  584    H    VAL  73           H        VAL  73  -2.554   0.672   2.711
  585    HA   VAL  73           HA       VAL  73  -0.887  -0.438   0.551
  586    HB   VAL  73           HB       VAL  73  -2.599  -1.632   2.756
  587   1HG1  VAL  73          2HG1      VAL  73  -1.125  -3.125   0.529
  588   2HG1  VAL  73          3HG1      VAL  73  -1.825  -3.885   1.971
  589   3HG1  VAL  73          1HG1      VAL  73  -2.874  -3.119   0.797
  590   1HG2  VAL  73          3HG2      VAL  73   0.383  -1.709   2.169
  591   2HG2  VAL  73          1HG2      VAL  73  -0.423  -0.849   3.508
  592   3HG2  VAL  73          2HG2      VAL  73  -0.409  -2.612   3.442
  593    H    PHE  74           H        PHE  74  -1.603  -0.899  -1.397
  594    HA   PHE  74           HA       PHE  74  -4.493  -1.067  -2.037
  595   1HB   PHE  74          1HB       PHE  74  -2.225   0.461  -3.238
  596   2HB   PHE  74          2HB       PHE  74  -3.140  -0.492  -4.375
  597    HD1  PHE  74          2HD       PHE  74  -5.655  -0.309  -4.434
  598    HD2  PHE  74          1HD       PHE  74  -3.123   2.594  -2.526
  599    HE1  PHE  74          2HE       PHE  74  -7.366   1.443  -4.854
  600    HE2  PHE  74          1HE       PHE  74  -4.833   4.354  -2.940
  601    HZ   PHE  74           HZ       PHE  74  -6.954   3.768  -4.127
  602    H    ILE  75           H        ILE  75  -4.710  -3.264  -1.849
  603    HA   ILE  75           HA       ILE  75  -2.832  -5.046  -3.318
  604    HB   ILE  75           HB       ILE  75  -4.762  -5.358  -1.090
  605   1HG1  ILE  75          1HG1      ILE  75  -3.349  -7.443  -0.656
  606   2HG1  ILE  75          2HG1      ILE  75  -2.297  -6.866  -1.961
  607   1HG2  ILE  75          2HG2      ILE  75  -4.592  -7.462  -3.286
  608   2HG2  ILE  75          3HG2      ILE  75  -5.260  -7.741  -1.680
  609   3HG2  ILE  75          1HG2      ILE  75  -6.065  -6.607  -2.742
  610   1HD1  ILE  75          2HD1      ILE  75  -2.044  -4.779  -0.587
  611   2HD1  ILE  75          3HD1      ILE  75  -2.868  -5.644   0.735
  612   3HD1  ILE  75          1HD1      ILE  75  -1.330  -6.254   0.101
  613    H    GLY  76           H        GLY  76  -3.300  -5.094  -5.460
  614   1HA   GLY  76          1HA       GLY  76  -4.367  -4.815  -7.459
  615   2HA   GLY  76          2HA       GLY  76  -5.502  -5.951  -6.738
  616    H    LYS  77           H        LYS  77  -4.841  -2.417  -6.906
  617    HA   LYS  77           HA       LYS  77  -6.161  -0.614  -6.612
  618   1HB   LYS  77          1HB       LYS  77  -6.656  -2.025  -8.963
  619   2HB   LYS  77          2HB       LYS  77  -8.258  -1.645  -8.406
  620   1HG   LYS  77          1HG       LYS  77  -6.253   0.601  -8.304
  621   2HG   LYS  77          2HG       LYS  77  -6.588  -0.057  -9.883
  622   1HD   LYS  77          1HD       LYS  77  -8.732   0.957  -7.950
  623   2HD   LYS  77          2HD       LYS  77  -7.996   1.924  -9.230
  624   1HE   LYS  77          1HE       LYS  77  -8.819   0.345 -10.950
  625   2HE   LYS  77          2HE       LYS  77  -9.566  -0.653  -9.692
  626   1HZ   LYS  77          1HZ       LYS  77 -10.997   1.260  -9.149
  627   2HZ   LYS  77          2HZ       LYS  77 -10.278   2.133 -10.347
  628   3HZ   LYS  77          3HZ       LYS  77 -11.168   0.826 -10.708
  629    H    ASP  78           H        ASP  78  -6.856  -2.815  -4.591
  630    HA   ASP  78           HA       ASP  78  -9.407  -1.613  -3.703
  631   1HB   ASP  78          1HB       ASP  78  -9.388  -4.067  -4.479
  632   2HB   ASP  78          2HB       ASP  78  -8.349  -4.409  -3.097
  633    H    CYS  79           H        CYS  79  -8.581   0.021  -2.362
  634    HA   CYS  79           HA       CYS  79  -6.107  -0.346  -0.936
  635   1HB   CYS  79          1HB       CYS  79  -6.985   1.880  -1.684
  636   2HB   CYS  79          2HB       CYS  79  -8.202   1.789  -0.401
  637    HG   CYS  79           HG       CYS  79  -4.998   1.194   0.148
  638    H    ILE  80           H        ILE  80  -5.833  -1.523   0.920
  639    HA   ILE  80           HA       ILE  80  -8.223  -2.795   1.967
  640    HB   ILE  80           HB       ILE  80  -6.776  -4.373   2.850
  641   1HG1  ILE  80          1HG1      ILE  80  -4.178  -3.905   2.849
  642   2HG1  ILE  80          2HG1      ILE  80  -4.680  -2.216   2.929
  643   1HG2  ILE  80          3HG2      ILE  80  -6.668  -4.228   0.330
  644   2HG2  ILE  80          1HG2      ILE  80  -5.146  -3.353   0.490
  645   3HG2  ILE  80          2HG2      ILE  80  -5.266  -5.002   1.110
  646   1HD1  ILE  80          3HD1      ILE  80  -6.192  -3.406   4.964
  647   2HD1  ILE  80          1HD1      ILE  80  -4.713  -4.353   4.974
  648   3HD1  ILE  80          2HD1      ILE  80  -4.635  -2.586   5.183
  649    H    GLY  81           H        GLY  81  -6.158  -0.165   2.833
  650   1HA   GLY  81          1HA       GLY  81  -7.290   1.229   4.689
  651   2HA   GLY  81          2HA       GLY  81  -6.876  -0.195   5.664
  652    H    GLY  82           H        GLY  82  -5.433   1.458   6.807
  653   1HA   GLY  82          1HA       GLY  82  -3.075   2.285   5.198
  654   2HA   GLY  82          2HA       GLY  82  -3.688   3.100   6.637
  655    H    CYS  83           H        CYS  83  -3.436   2.046   8.697
  656    HA   CYS  83           HA       CYS  83  -1.003   0.333   8.805
  657   1HB   CYS  83          1HB       CYS  83  -1.437   2.248  11.039
  658   2HB   CYS  83          2HB       CYS  83   0.034   1.756  10.217
  659    HG   CYS  83           HG       CYS  83  -0.536   3.196   7.985
  660    H    SER  84           H        SER  84  -3.604   1.603  11.013
  661    HA   SER  84           HA       SER  84  -3.583  -0.598  12.732
  662   1HB   SER  84          1HB       SER  84  -5.916   1.237  12.016
  663   2HB   SER  84          2HB       SER  84  -5.734   0.308  13.512
  664    HG   SER  84           HG       SER  84  -4.044   1.563  14.116
  665    H    ASP  85           H        ASP  85  -5.493  -0.090   9.734
  666    HA   ASP  85           HA       ASP  85  -7.086  -2.486   9.850
  667   1HB   ASP  85          1HB       ASP  85  -6.092  -0.638   7.676
  668   2HB   ASP  85          2HB       ASP  85  -6.643  -2.237   7.196
  669    H    LEU  86           H        LEU  86  -3.990  -1.726   8.298
  670    HA   LEU  86           HA       LEU  86  -3.622  -4.164   7.018
  671   1HB   LEU  86          1HB       LEU  86  -2.588  -1.927   6.569
  672   2HB   LEU  86          2HB       LEU  86  -1.522  -2.147   7.937
  673    HG   LEU  86           HG       LEU  86  -0.550  -2.493   5.682
  674   1HD1  LEU  86          2HD1      LEU  86   0.455  -3.464   7.750
  675   2HD1  LEU  86          3HD1      LEU  86  -0.303  -5.012   7.310
  676   3HD1  LEU  86          1HD1      LEU  86   0.886  -4.262   6.234
  677   1HD2  LEU  86          2HD2      LEU  86  -2.389  -3.666   4.561
  678   2HD2  LEU  86          3HD2      LEU  86  -0.895  -4.621   4.482
  679   3HD2  LEU  86          1HD2      LEU  86  -2.163  -5.079   5.630
  680    H    VAL  87           H        VAL  87  -2.483  -3.181  10.345
  681    HA   VAL  87           HA       VAL  87  -1.070  -5.534  10.883
  682    HB   VAL  87           HB       VAL  87  -2.474  -3.401  12.547
  683   1HG1  VAL  87          1HG1      VAL  87  -0.470  -5.525  13.381
  684   2HG1  VAL  87          2HG1      VAL  87  -1.001  -4.139  14.386
  685   3HG1  VAL  87          3HG1      VAL  87  -2.163  -5.396  13.908
  686   1HG2  VAL  87          1HG2      VAL  87  -0.504  -2.670  11.050
  687   2HG2  VAL  87          2HG2      VAL  87  -0.327  -2.384  12.779
  688   3HG2  VAL  87          3HG2      VAL  87   0.509  -3.750  12.010
  689    H    SER  88           H        SER  88  -4.636  -4.742  11.195
  690    HA   SER  88           HA       SER  88  -5.263  -7.085  12.819
  691   1HB   SER  88          1HB       SER  88  -6.865  -5.197  11.060
  692   2HB   SER  88          2HB       SER  88  -7.395  -6.863  11.095
  693    HG   SER  88           HG       SER  88  -7.249  -5.124  13.270
  694    H    LEU  89           H        LEU  89  -5.357  -6.270   9.317
  695    HA   LEU  89           HA       LEU  89  -6.151  -8.783   8.418
  696   1HB   LEU  89          1HB       LEU  89  -4.637  -6.491   7.112
  697   2HB   LEU  89          2HB       LEU  89  -4.900  -7.977   6.280
  698    HG   LEU  89           HG       LEU  89  -7.418  -7.692   6.919
  699   1HD1  LEU  89          3HD1      LEU  89  -6.467  -4.816   6.889
  700   2HD1  LEU  89          1HD1      LEU  89  -8.155  -5.348   6.729
  701   3HD1  LEU  89          2HD1      LEU  89  -7.280  -5.674   8.221
  702   1HD2  LEU  89          3HD2      LEU  89  -5.994  -6.233   4.663
  703   2HD2  LEU  89          1HD2      LEU  89  -6.599  -7.903   4.648
  704   3HD2  LEU  89          2HD2      LEU  89  -7.730  -6.566   4.732
  705    H    GLN  90           H        GLN  90  -2.798  -7.649   9.195
  706    HA   GLN  90           HA       GLN  90  -1.560 -10.083   8.307
  707   1HB   GLN  90          1HB       GLN  90  -0.292  -7.982   8.844
  708   2HB   GLN  90          2HB       GLN  90  -0.659  -8.237  10.554
  709   1HG   GLN  90          1HG       GLN  90   0.456 -10.590  10.249
  710   2HG   GLN  90          2HG       GLN  90   1.037  -9.943   8.711
  711   1HE2  GLN  90          2HE2      GLN  90   3.941  -9.159  10.645
  712   2HE2  GLN  90          1HE2      GLN  90   3.276 -10.199   9.391
  713    H    GLN  91           H        GLN  91  -2.618  -9.048  11.659
  714    HA   GLN  91           HA       GLN  91  -1.711 -11.356  12.890
  715   1HB   GLN  91          1HB       GLN  91  -2.865  -8.812  13.519
  716   2HB   GLN  91          2HB       GLN  91  -3.908  -9.964  14.289
  717   1HG   GLN  91          1HG       GLN  91  -0.889 -10.105  14.565
  718   2HG   GLN  91          2HG       GLN  91  -1.851  -8.957  15.461
  719   1HE2  GLN  91          2HE2      GLN  91  -2.711 -12.890  16.483
  720   2HE2  GLN  91          1HE2      GLN  91  -2.854 -12.451  14.807
  721    H    SER  92           H        SER  92  -4.995 -10.476  11.828
  722    HA   SER  92           HA       SER  92  -6.374 -12.872  12.609
  723   1HB   SER  92          1HB       SER  92  -7.499 -10.729  12.132
  724   2HB   SER  92          2HB       SER  92  -6.870 -10.733  10.479
  725    HG   SER  92           HG       SER  92  -9.008 -11.407  10.533
  726    H    GLY  93           H        GLY  93  -4.877 -11.681   9.564
  727   1HA   GLY  93          1HA       GLY  93  -3.657 -13.170   8.100
  728   2HA   GLY  93          2HA       GLY  93  -4.831 -14.448   8.459
  729    H    GLU  94           H        GLU  94  -6.550 -11.400   8.249
  730    HA   GLU  94           HA       GLU  94  -7.833 -12.310   5.859
  731   1HB   GLU  94          1HB       GLU  94  -8.985 -11.086   7.552
  732   2HB   GLU  94          2HB       GLU  94  -7.848  -9.748   7.466
  733   1HG   GLU  94          1HG       GLU  94  -8.662  -9.252   5.143
  734   2HG   GLU  94          2HG       GLU  94  -9.814 -10.584   5.290
  735    H    LEU  95           H        LEU  95  -4.966 -10.396   6.452
  736    HA   LEU  95           HA       LEU  95  -4.702  -8.982   4.058
  737   1HB   LEU  95          1HB       LEU  95  -3.125  -9.021   6.142
  738   2HB   LEU  95          2HB       LEU  95  -2.380 -10.416   5.436
  739    HG   LEU  95           HG       LEU  95  -1.496  -9.115   3.629
  740   1HD1  LEU  95          3HD1      LEU  95  -3.350  -6.866   4.527
  741   2HD1  LEU  95          1HD1      LEU  95  -2.002  -6.646   3.393
  742   3HD1  LEU  95          2HD1      LEU  95  -3.340  -7.698   2.951
  743   1HD2  LEU  95          2HD2      LEU  95  -1.389  -7.497   6.221
  744   2HD2  LEU  95          3HD2      LEU  95  -0.349  -8.871   5.794
  745   3HD2  LEU  95          1HD2      LEU  95  -0.240  -7.357   4.888
  746    H    LEU  96           H        LEU  96  -3.985 -12.396   4.775
  747    HA   LEU  96           HA       LEU  96  -2.570 -12.931   2.339
  748   1HB   LEU  96          1HB       LEU  96  -3.912 -14.793   4.325
  749   2HB   LEU  96          2HB       LEU  96  -3.082 -15.308   2.859
  750    HG   LEU  96           HG       LEU  96  -1.112 -13.736   3.777
  751   1HD1  LEU  96          3HD1      LEU  96  -2.564 -14.588   6.322
  752   2HD1  LEU  96          1HD1      LEU  96  -0.903 -13.978   6.254
  753   3HD1  LEU  96          2HD1      LEU  96  -2.241 -12.919   5.803
  754   1HD2  LEU  96          1HD2      LEU  96  -0.940 -16.098   3.241
  755   2HD2  LEU  96          2HD2      LEU  96  -0.093 -15.723   4.739
  756   3HD2  LEU  96          3HD2      LEU  96  -1.682 -16.526   4.805
  757    H    THR  97           H        THR  97  -5.975 -13.627   3.389
  758    HA   THR  97           HA       THR  97  -6.940 -14.607   0.986
  759    HB   THR  97           HB       THR  97  -8.451 -12.780   2.907
  760    HG1  THR  97           HG1      THR  97  -8.727 -14.670   4.157
  761   1HG2  THR  97          2HG2      THR  97  -9.742 -13.584   0.935
  762   2HG2  THR  97          3HG2      THR  97  -9.323 -15.259   1.352
  763   3HG2  THR  97          1HG2      THR  97 -10.343 -14.295   2.442
  764    H    ARG  98           H        ARG  98  -6.678 -11.178   2.057
  765    HA   ARG  98           HA       ARG  98  -7.903  -9.924  -0.138
  766   1HB   ARG  98          1HB       ARG  98  -7.138  -8.926   2.069
  767   2HB   ARG  98          2HB       ARG  98  -5.528  -8.806   1.368
  768   1HG   ARG  98          1HG       ARG  98  -6.066  -6.917   0.356
  769   2HG   ARG  98          2HG       ARG  98  -7.338  -7.701  -0.574
  770   1HD   ARG  98          1HD       ARG  98  -7.665  -6.585   2.230
  771   2HD   ARG  98          2HD       ARG  98  -8.117  -5.758   0.719
  772    HE   ARG  98           HE       ARG  98  -9.630  -7.640   0.228
  773   1HH1  ARG  98          2HH2      ARG  98  -9.458  -6.338   3.544
  774   2HH1  ARG  98          1HH2      ARG  98 -10.506  -7.536   4.213
  775   1HH2  ARG  98          2HH1      ARG  98 -11.185  -9.026   1.036
  776   2HH2  ARG  98          1HH1      ARG  98 -11.676  -8.938   2.699
  777    H    LEU  99           H        LEU  99  -4.351 -10.675   0.229
  778    HA   LEU  99           HA       LEU  99  -3.861  -9.705  -2.501
  779   1HB   LEU  99          1HB       LEU  99  -1.535 -10.692  -2.098
  780   2HB   LEU  99          2HB       LEU  99  -2.080  -9.293  -1.241
  781    HG   LEU  99           HG       LEU  99  -2.748 -11.360   0.516
  782   1HD1  LEU  99          2HD1      LEU  99  -1.567 -12.982  -0.736
  783   2HD1  LEU  99          3HD1      LEU  99  -0.082 -12.015  -0.630
  784   3HD1  LEU  99          1HD1      LEU  99  -0.816 -12.684   0.835
  785   1HD2  LEU  99          1HD2      LEU  99  -0.316  -9.542   0.441
  786   2HD2  LEU  99          2HD2      LEU  99  -1.900  -9.163   1.139
  787   3HD2  LEU  99          3HD2      LEU  99  -0.914 -10.428   1.865
  788    H    LYS 100           H        LYS 100  -4.304 -12.938  -1.072
  789    HA   LYS 100           HA       LYS 100  -3.753 -14.405  -3.461
  790   1HB   LYS 100          1HB       LYS 100  -5.633 -14.837  -1.128
  791   2HB   LYS 100          2HB       LYS 100  -5.576 -15.938  -2.493
  792   1HG   LYS 100          1HG       LYS 100  -3.052 -16.158  -2.139
  793   2HG   LYS 100          2HG       LYS 100  -3.205 -15.118  -0.742
  794   1HD   LYS 100          1HD       LYS 100  -3.452 -17.044   0.444
  795   2HD   LYS 100          2HD       LYS 100  -5.113 -17.014  -0.102
  796   1HE   LYS 100          1HE       LYS 100  -2.787 -18.492  -1.439
  797   2HE   LYS 100          2HE       LYS 100  -4.037 -19.225  -0.442
  798   1HZ   LYS 100          3HZ       LYS 100  -5.673 -18.498  -2.115
  799   2HZ   LYS 100          1HZ       LYS 100  -4.455 -17.924  -3.068
  800   3HZ   LYS 100          2HZ       LYS 100  -4.515 -19.515  -2.758
  801    H    GLN 101           H        GLN 101  -6.627 -12.517  -2.626
  802    HA   GLN 101           HA       GLN 101  -8.256 -13.159  -4.816
  803   1HB   GLN 101          1HB       GLN 101  -8.539 -11.613  -2.699
  804   2HB   GLN 101          2HB       GLN 101  -8.072 -10.317  -3.798
  805   1HG   GLN 101          1HG       GLN 101  -9.979 -10.611  -5.162
  806   2HG   GLN 101          2HG       GLN 101 -10.345 -12.198  -4.471
  807   1HE2  GLN 101          2HE2      GLN 101 -11.971 -10.924  -1.548
  808   2HE2  GLN 101          1HE2      GLN 101 -10.934 -12.249  -2.100
  809    H    ILE 102           H        ILE 102  -5.176 -11.630  -5.003
  810    HA   ILE 102           HA       ILE 102  -5.656 -10.772  -7.822
  811    HB   ILE 102           HB       ILE 102  -4.266  -9.003  -7.555
  812   1HG1  ILE 102          1HG1      ILE 102  -3.285  -9.247  -4.760
  813   2HG1  ILE 102          2HG1      ILE 102  -2.740 -10.519  -5.781
  814   1HG2  ILE 102          1HG2      ILE 102  -6.336  -8.639  -6.259
  815   2HG2  ILE 102          2HG2      ILE 102  -5.505  -9.172  -4.782
  816   3HG2  ILE 102          3HG2      ILE 102  -4.947  -7.718  -5.615
  817   1HD1  ILE 102          2HD1      ILE 102  -2.531  -7.594  -6.490
  818   2HD1  ILE 102          3HD1      ILE 102  -1.207  -8.548  -5.783
  819   3HD1  ILE 102          1HD1      ILE 102  -1.820  -8.936  -7.410
  820    H    GLY 103           H        GLY 103  -4.682 -13.401  -6.303
  821   1HA   GLY 103          1HA       GLY 103  -3.404 -15.172  -6.875
  822   2HA   GLY 103          2HA       GLY 103  -3.115 -14.388  -8.427
  823    H    ALA 104           H        ALA 104  -2.182 -13.213  -5.172
  824    HA   ALA 104           HA       ALA 104   0.599 -12.616  -5.941
  825   1HB   ALA 104          3HB       ALA 104  -0.959 -12.754  -3.268
  826   2HB   ALA 104          1HB       ALA 104   0.655 -12.066  -3.485
  827   3HB   ALA 104          2HB       ALA 104  -0.754 -11.294  -4.254
  828    H    LEU 105           H        LEU 105  -0.769 -15.070  -3.483
  829    HA   LEU 105           HA       LEU 105   1.924 -15.640  -3.027
  830   1HB   LEU 105          1HB       LEU 105  -0.402 -17.381  -2.306
  831   2HB   LEU 105          2HB       LEU 105   1.146 -17.283  -1.568
  832    HG   LEU 105           HG       LEU 105  -0.904 -15.094  -1.385
  833   1HD1  LEU 105          3HD1      LEU 105  -1.243 -17.171   0.032
  834   2HD1  LEU 105          1HD1      LEU 105   0.290 -16.817   0.819
  835   3HD1  LEU 105          2HD1      LEU 105  -1.057 -15.659   0.945
  836   1HD2  LEU 105          3HD2      LEU 105   1.976 -15.259  -0.442
  837   2HD2  LEU 105          1HD2      LEU 105   1.210 -13.990  -1.405
  838   3HD2  LEU 105          2HD2      LEU 105   0.827 -14.173   0.321
  839    H    GLN 106           H        GLN 106   3.116 -17.309  -3.431
  840    HA   GLN 106           HA       GLN 106   2.463 -19.461  -5.306
  841   1HB   GLN 106          2HB       GLN 106   3.111 -17.604  -6.782
  842   2HB   GLN 106          3HB       GLN 106   4.605 -17.354  -5.864
  843   1HG   GLN 106          2HG       GLN 106   5.487 -19.475  -6.521
  844   2HG   GLN 106          3HG       GLN 106   3.926 -20.033  -7.108
  845   1HE2  GLN 106          2HE2      GLN 106   4.822 -19.253 -10.378
  846   2HE2  GLN 106          1HE2      GLN 106   3.882 -20.181  -9.235
   
  No H/Q in entry =         846
  Start of MODEL   13
    1   1H    ALA   2          2H        ALA   2  -3.181  13.589  -6.838
    2   2H    ALA   2          3H        ALA   2  -2.641  12.179  -6.204
    3   3H    ALA   2          1H        ALA   2  -1.814  13.624  -5.972
    4    HA   ALA   2           HA       ALA   2  -1.318  13.762  -8.275
    5   1HB   ALA   2          3HB       ALA   2  -0.634  10.999  -7.156
    6   2HB   ALA   2          1HB       ALA   2   0.141  11.771  -8.555
    7   3HB   ALA   2          2HB       ALA   2   0.334  12.478  -6.950
    8    H    GLN   3           H        GLN   3  -1.669  13.134 -10.279
    9    HA   GLN   3           HA       GLN   3  -3.752  11.211 -11.009
   10   1HB   GLN   3          1HB       GLN   3  -2.731  11.639 -13.340
   11   2HB   GLN   3          2HB       GLN   3  -3.646  12.909 -12.581
   12   1HG   GLN   3          1HG       GLN   3  -0.592  12.863 -12.616
   13   2HG   GLN   3          2HG       GLN   3  -1.604  13.679 -13.801
   14   1HE2  GLN   3          2HE2      GLN   3  -0.785  15.663 -10.414
   15   2HE2  GLN   3          1HE2      GLN   3   0.207  14.373 -11.021
   16    H    GLU   4           H        GLU   4  -0.602  11.086 -12.564
   17    HA   GLU   4           HA       GLU   4  -0.926   8.347 -12.602
   18   1HB   GLU   4          1HB       GLU   4   1.457  10.050 -13.433
   19   2HB   GLU   4          2HB       GLU   4   1.205   8.350 -13.867
   20   1HG   GLU   4          1HG       GLU   4  -1.074   9.074 -14.816
   21   2HG   GLU   4          2HG       GLU   4  -0.531  10.746 -14.624
   22    H    PHE   5           H        PHE   5   1.211  10.251 -10.541
   23    HA   PHE   5           HA       PHE   5   2.886   8.197  -9.666
   24   1HB   PHE   5          1HB       PHE   5   2.855  10.770  -9.123
   25   2HB   PHE   5          2HB       PHE   5   1.921  10.292  -7.713
   26    HD1  PHE   5          2HD       PHE   5   5.175  10.011  -9.469
   27    HD2  PHE   5          1HD       PHE   5   3.017   9.097  -5.848
   28    HE1  PHE   5          2HE       PHE   5   7.297   9.373  -8.369
   29    HE2  PHE   5          1HE       PHE   5   5.148   8.491  -4.740
   30    HZ   PHE   5           HZ       PHE   5   7.288   8.580  -6.003
   31    H    VAL   6           H        VAL   6  -0.511   8.738  -8.750
   32    HA   VAL   6           HA       VAL   6  -0.407   6.348  -7.040
   33    HB   VAL   6           HB       VAL   6  -2.309   8.708  -7.115
   34   1HG1  VAL   6          3HG1      VAL   6  -2.439   6.242  -5.328
   35   2HG1  VAL   6          1HG1      VAL   6  -3.448   7.690  -5.180
   36   3HG1  VAL   6          2HG1      VAL   6  -3.601   6.650  -6.599
   37   1HG2  VAL   6          1HG2      VAL   6  -0.106   9.101  -5.985
   38   2HG2  VAL   6          2HG2      VAL   6  -1.455   9.104  -4.836
   39   3HG2  VAL   6          3HG2      VAL   6  -0.390   7.691  -4.975
   40    H    ASN   7           H        ASN   7  -2.784   7.897  -9.328
   41    HA   ASN   7           HA       ASN   7  -4.307   5.489  -9.334
   42   1HB   ASN   7          1HB       ASN   7  -4.341   7.890 -11.197
   43   2HB   ASN   7          2HB       ASN   7  -5.438   6.514 -11.354
   44   1HD2  ASN   7          2HD2      ASN   7  -6.920   9.330  -9.260
   45   2HD2  ASN   7          1HD2      ASN   7  -5.883   9.454 -10.640
   46    H    CYS   8           H        CYS   8  -2.001   6.778 -11.753
   47    HA   CYS   8           HA       CYS   8  -2.419   4.576 -13.597
   48   1HB   CYS   8          1HB       CYS   8  -1.591   6.946 -14.104
   49   2HB   CYS   8          2HB       CYS   8  -0.001   6.406 -13.495
   50    HG   CYS   8           HG       CYS   8  -0.125   6.555 -16.124
   51    H    LYS   9           H        LYS   9  -0.575   4.933 -10.661
   52    HA   LYS   9           HA       LYS   9   1.287   2.774 -11.229
   53   1HB   LYS   9          1HB       LYS   9   0.920   4.696  -9.081
   54   2HB   LYS   9          2HB       LYS   9   0.911   3.079  -8.396
   55   1HG   LYS   9          1HG       LYS   9   3.160   3.806  -8.373
   56   2HG   LYS   9          2HG       LYS   9   3.041   2.593  -9.647
   57   1HD   LYS   9          1HD       LYS   9   2.871   4.528 -11.323
   58   2HD   LYS   9          2HD       LYS   9   3.219   5.622  -9.961
   59   1HE   LYS   9          1HE       LYS   9   5.286   4.205  -9.488
   60   2HE   LYS   9          2HE       LYS   9   4.957   3.315 -10.972
   61   1HZ   LYS   9          3HZ       LYS   9   5.191   5.462 -12.170
   62   2HZ   LYS   9          1HZ       LYS   9   5.687   6.178 -10.754
   63   3HZ   LYS   9          2HZ       LYS   9   6.531   4.952 -11.430
   64    H    ILE  10           H        ILE  10  -1.932   2.951  -9.507
   65    HA   ILE  10           HA       ILE  10  -1.519   0.146  -8.776
   66    HB   ILE  10           HB       ILE  10  -4.159   1.514  -8.434
   67   1HG1  ILE  10          1HG1      ILE  10  -2.507   1.913  -6.032
   68   2HG1  ILE  10          2HG1      ILE  10  -1.891   2.825  -7.384
   69   1HG2  ILE  10          2HG2      ILE  10  -3.875  -0.863  -7.725
   70   2HG2  ILE  10          3HG2      ILE  10  -2.546  -0.391  -6.665
   71   3HG2  ILE  10          1HG2      ILE  10  -4.184   0.197  -6.337
   72   1HD1  ILE  10          1HD1      ILE  10  -4.777   2.875  -6.435
   73   2HD1  ILE  10          2HD1      ILE  10  -3.556   4.134  -6.146
   74   3HD1  ILE  10          3HD1      ILE  10  -4.118   3.809  -7.796
   75    H    GLN  11           H        GLN  11  -2.631  -1.630  -9.588
   76    HA   GLN  11           HA       GLN  11  -4.952  -1.252 -11.272
   77   1HB   GLN  11          1HB       GLN  11  -4.163  -2.916 -12.946
   78   2HB   GLN  11          2HB       GLN  11  -3.277  -1.403 -12.992
   79   1HG   GLN  11          1HG       GLN  11  -1.354  -2.453 -11.885
   80   2HG   GLN  11          2HG       GLN  11  -2.261  -3.949 -11.662
   81   1HE2  GLN  11          2HE2      GLN  11  -0.571  -3.177 -15.307
   82   2HE2  GLN  11          1HE2      GLN  11  -0.480  -1.984 -14.012
   83    HA   PRO  12           HA       PRO  12  -5.948  -4.981  -8.842
   84   1HB   PRO  12          1HB       PRO  12  -7.073  -6.717 -10.685
   85   2HB   PRO  12          2HB       PRO  12  -7.938  -5.405  -9.834
   86   1HG   PRO  12          1HG       PRO  12  -6.758  -5.380 -12.611
   87   2HG   PRO  12          2HG       PRO  12  -8.333  -4.733 -12.036
   88   1HD   PRO  12          1HD       PRO  12  -6.181  -3.134 -12.453
   89   2HD   PRO  12          2HD       PRO  12  -7.325  -2.821 -11.124
   90    H    GLY  13           H        GLY  13  -5.118  -7.207  -8.638
   91   1HA   GLY  13          1HA       GLY  13  -3.569  -8.880  -8.944
   92   2HA   GLY  13          2HA       GLY  13  -3.404  -8.329 -10.597
   93    H    LYS  14           H        LYS  14  -2.563  -5.767  -8.407
   94    HA   LYS  14           HA       LYS  14   0.154  -6.798  -7.939
   95   1HB   LYS  14          1HB       LYS  14  -0.561  -4.376  -9.579
   96   2HB   LYS  14          2HB       LYS  14   0.562  -4.070  -8.251
   97   1HG   LYS  14          1HG       LYS  14   1.902  -6.069  -9.032
   98   2HG   LYS  14          2HG       LYS  14   0.885  -6.116 -10.466
   99   1HD   LYS  14          1HD       LYS  14   2.930  -5.047 -11.009
  100   2HD   LYS  14          2HD       LYS  14   1.676  -3.789 -11.007
  101   1HE   LYS  14          1HE       LYS  14   2.436  -3.061  -8.765
  102   2HE   LYS  14          2HE       LYS  14   3.649  -4.359  -8.725
  103   1HZ   LYS  14          1HZ       LYS  14   3.566  -2.300 -10.821
  104   2HZ   LYS  14          2HZ       LYS  14   4.397  -2.056  -9.466
  105   3HZ   LYS  14          3HZ       LYS  14   4.822  -3.317 -10.474
  106    H    VAL  15           H        VAL  15   1.143  -5.693  -5.997
  107    HA   VAL  15           HA       VAL  15  -0.975  -4.548  -4.254
  108    HB   VAL  15           HB       VAL  15   1.663  -5.793  -3.468
  109   1HG1  VAL  15          1HG1      VAL  15  -0.794  -4.825  -2.001
  110   2HG1  VAL  15          2HG1      VAL  15   0.420  -5.865  -1.208
  111   3HG1  VAL  15          3HG1      VAL  15   0.858  -4.253  -1.799
  112   1HG2  VAL  15          3HG2      VAL  15  -1.064  -7.115  -3.538
  113   2HG2  VAL  15          1HG2      VAL  15   0.411  -7.621  -4.392
  114   3HG2  VAL  15          2HG2      VAL  15   0.345  -7.742  -2.643
  115    H    VAL  16           H        VAL  16  -0.736  -2.336  -3.926
  116    HA   VAL  16           HA       VAL  16   1.965  -1.174  -4.445
  117    HB   VAL  16           HB       VAL  16  -0.709   0.012  -5.261
  118   1HG1  VAL  16          1HG1      VAL  16   1.064   1.693  -4.843
  119   2HG1  VAL  16          2HG1      VAL  16   2.154   0.813  -5.940
  120   3HG1  VAL  16          3HG1      VAL  16   0.677   1.579  -6.564
  121   1HG2  VAL  16          3HG2      VAL  16   1.366  -1.560  -6.854
  122   2HG2  VAL  16          1HG2      VAL  16  -0.363  -1.919  -6.685
  123   3HG2  VAL  16          2HG2      VAL  16   0.162  -0.514  -7.617
  124    H    VAL  17           H        VAL  17   2.670   0.212  -2.899
  125    HA   VAL  17           HA       VAL  17   0.732   1.020  -0.788
  126    HB   VAL  17           HB       VAL  17   3.605   0.361  -0.169
  127   1HG1  VAL  17          1HG1      VAL  17   2.310   1.717   1.441
  128   2HG1  VAL  17          2HG1      VAL  17   1.069   0.460   1.516
  129   3HG1  VAL  17          3HG1      VAL  17   2.715   0.130   2.111
  130   1HG2  VAL  17          2HG2      VAL  17   1.298  -1.621  -0.049
  131   2HG2  VAL  17          3HG2      VAL  17   2.740  -1.731  -1.083
  132   3HG2  VAL  17          1HG2      VAL  17   2.925  -1.828   0.660
  133    H    PHE  18           H        PHE  18   0.549   3.143  -0.816
  134    HA   PHE  18           HA       PHE  18   2.749   4.844  -1.808
  135   1HB   PHE  18          1HB       PHE  18   0.039   5.601  -0.633
  136   2HB   PHE  18          2HB       PHE  18   1.177   6.724  -1.398
  137    HD1  PHE  18          1HD       PHE  18   2.031   6.183  -3.753
  138    HD2  PHE  18          2HD       PHE  18  -1.453   4.306  -2.030
  139    HE1  PHE  18          1HE       PHE  18   1.362   5.345  -5.983
  140    HE2  PHE  18          2HE       PHE  18  -2.149   3.552  -4.298
  141    HZ   PHE  18           HZ       PHE  18  -0.755   4.143  -6.269
  142    H    ILE  19           H        ILE  19   4.314   5.551  -0.551
  143    HA   ILE  19           HA       ILE  19   4.060   5.359   2.393
  144    HB   ILE  19           HB       ILE  19   6.356   4.414   2.426
  145   1HG1  ILE  19          1HG1      ILE  19   6.296   3.543  -0.437
  146   2HG1  ILE  19          2HG1      ILE  19   6.769   5.202  -0.132
  147   1HG2  ILE  19          1HG2      ILE  19   4.488   2.867   2.622
  148   2HG2  ILE  19          2HG2      ILE  19   4.454   2.653   0.858
  149   3HG2  ILE  19          3HG2      ILE  19   5.864   2.129   1.790
  150   1HD1  ILE  19          1HD1      ILE  19   8.536   4.494   1.416
  151   2HD1  ILE  19          2HD1      ILE  19   8.110   2.794   1.119
  152   3HD1  ILE  19          3HD1      ILE  19   8.739   3.798  -0.202
  153    H    LYS  20           H        LYS  20   5.889   6.446   3.458
  154    HA   LYS  20           HA       LYS  20   7.555   8.147   1.785
  155   1HB   LYS  20          1HB       LYS  20   7.581   9.748   3.850
  156   2HB   LYS  20          2HB       LYS  20   6.426  10.000   2.553
  157   1HG   LYS  20          1HG       LYS  20   4.600   9.387   3.818
  158   2HG   LYS  20          2HG       LYS  20   5.524   8.348   4.906
  159   1HD   LYS  20          1HD       LYS  20   4.677  10.402   5.975
  160   2HD   LYS  20          2HD       LYS  20   6.426  10.165   6.115
  161   1HE   LYS  20          1HE       LYS  20   6.831  11.846   4.380
  162   2HE   LYS  20          2HE       LYS  20   5.081  12.024   4.109
  163   1HZ   LYS  20          2HZ       LYS  20   6.469  12.636   6.651
  164   2HZ   LYS  20          3HZ       LYS  20   5.932  13.754   5.555
  165   3HZ   LYS  20          1HZ       LYS  20   4.861  12.817   6.353
  166    HA   PRO  21           HA       PRO  21   9.914   5.300   4.329
  167   1HB   PRO  21          1HB       PRO  21  12.482   6.186   3.846
  168   2HB   PRO  21          2HB       PRO  21  11.522   5.235   2.669
  169   1HG   PRO  21          1HG       PRO  21  11.838   8.254   2.810
  170   2HG   PRO  21          2HG       PRO  21  12.018   7.190   1.378
  171   1HD   PRO  21          1HD       PRO  21   9.744   8.532   1.867
  172   2HD   PRO  21          2HD       PRO  21   9.688   6.862   1.215
  173    H    THR  22           H        THR  22   9.757   8.779   4.716
  174    HA   THR  22           HA       THR  22  11.257   8.949   7.165
  175    HB   THR  22           HB       THR  22  10.371  11.321   6.999
  176    HG1  THR  22           HG1      THR  22   9.286  11.914   5.245
  177   1HG2  THR  22          2HG2      THR  22  12.555  10.681   6.029
  178   2HG2  THR  22          3HG2      THR  22  11.768  10.294   4.485
  179   3HG2  THR  22          1HG2      THR  22  11.764  11.959   5.098
  180    H    CYS  23           H        CSN  23   8.223   7.577   6.621
  181    HA   CYS  23           HA       CSN  23   7.396   8.293   9.374
  182   1HB   CYS  23          2HB       CSN  23   5.838   7.367   6.989
  183   2HB   CYS  23          3HB       CSN  23   5.370   6.774   8.557
  184    HA   PRO  24           HA       PRO  24   9.289   4.283  10.255
  185   1HB   PRO  24          1HB       PRO  24   8.342   3.901  12.795
  186   2HB   PRO  24          2HB       PRO  24   9.547   5.169  12.425
  187   1HG   PRO  24          1HG       PRO  24   6.543   5.453  12.631
  188   2HG   PRO  24          2HG       PRO  24   7.784   6.423  13.477
  189   1HD   PRO  24          1HD       PRO  24   6.651   7.286  11.166
  190   2HD   PRO  24          2HD       PRO  24   8.396   7.535  11.455
  191    H    TYR  25           H        TYR  25   5.929   5.048  10.163
  192    HA   TYR  25           HA       TYR  25   4.754   2.517  10.745
  193   1HB   TYR  25          1HB       TYR  25   3.805   4.955   9.106
  194   2HB   TYR  25          2HB       TYR  25   2.759   3.698   9.771
  195    HD1  TYR  25          2HD       TYR  25   3.438   3.195  12.477
  196    HD2  TYR  25          1HD       TYR  25   3.866   6.927  10.335
  197    HE1  TYR  25          2HE       TYR  25   3.956   4.353  14.584
  198    HE2  TYR  25          1HE       TYR  25   4.329   8.090  12.439
  199    HH   TYR  25           HH       TYR  25   4.754   7.864  14.686
  200    H    CYS  26           H        CYS  26   5.870   4.193   7.787
  201    HA   CYS  26           HA       CYS  26   4.879   2.299   5.891
  202   1HB   CYS  26          1HB       CYS  26   7.131   4.370   5.827
  203   2HB   CYS  26          2HB       CYS  26   6.701   3.342   4.452
  204    HG   CYS  26           HG       CYS  26   4.188   3.965   4.343
  205    H    ARG  27           H        ARG  27   8.028   2.552   7.666
  206    HA   ARG  27           HA       ARG  27   9.290   0.316   6.482
  207   1HB   ARG  27          1HB       ARG  27   9.500   1.521   9.245
  208   2HB   ARG  27          2HB       ARG  27  10.258  -0.035   8.882
  209   1HG   ARG  27          1HG       ARG  27  11.474   0.936   6.996
  210   2HG   ARG  27          2HG       ARG  27  10.738   2.520   7.338
  211   1HD   ARG  27          1HD       ARG  27  11.729   2.511   9.580
  212   2HD   ARG  27          2HD       ARG  27  12.306   0.855   9.350
  213    HE   ARG  27           HE       ARG  27  13.234   2.818   7.359
  214   1HH1  ARG  27          2HH2      ARG  27  14.178   0.899  10.241
  215   2HH1  ARG  27          1HH2      ARG  27  15.860   1.191  10.002
  216   1HH2  ARG  27          2HH1      ARG  27  15.522   3.094   7.086
  217   2HH2  ARG  27          1HH1      ARG  27  16.600   2.551   8.353
  218    H    ARG  28           H        ARG  28   7.153   0.353   9.382
  219    HA   ARG  28           HA       ARG  28   7.217  -2.425   9.867
  220   1HB   ARG  28          1HB       ARG  28   6.200  -0.960  11.398
  221   2HB   ARG  28          2HB       ARG  28   5.004  -0.388  10.278
  222   1HG   ARG  28          1HG       ARG  28   3.676  -2.377  10.361
  223   2HG   ARG  28          2HG       ARG  28   5.032  -3.405  10.774
  224   1HD   ARG  28          1HD       ARG  28   5.209  -2.290  12.998
  225   2HD   ARG  28          2HD       ARG  28   3.723  -1.377  12.652
  226    HE   ARG  28           HE       ARG  28   3.032  -4.031  12.278
  227   1HH1  ARG  28          2HH2      ARG  28   4.509  -2.211  14.953
  228   2HH1  ARG  28          1HH2      ARG  28   4.004  -3.330  16.175
  229   1HH2  ARG  28          2HH1      ARG  28   2.328  -5.527  13.908
  230   2HH2  ARG  28          1HH1      ARG  28   2.692  -5.210  15.560
  231    H    ALA  29           H        ALA  29   4.770  -0.652   8.117
  232    HA   ALA  29           HA       ALA  29   3.352  -2.873   7.093
  233   1HB   ALA  29          2HB       ALA  29   3.807  -0.216   5.696
  234   2HB   ALA  29          3HB       ALA  29   2.601  -1.415   5.212
  235   3HB   ALA  29          1HB       ALA  29   2.468  -0.646   6.808
  236    H    GLN  30           H        GLN  30   6.338  -1.403   5.769
  237    HA   GLN  30           HA       GLN  30   6.481  -3.060   3.456
  238   1HB   GLN  30          1HB       GLN  30   8.129  -1.013   4.780
  239   2HB   GLN  30          2HB       GLN  30   9.140  -2.379   4.347
  240   1HG   GLN  30          1HG       GLN  30   8.801  -2.151   2.120
  241   2HG   GLN  30          2HG       GLN  30   7.164  -1.560   2.307
  242   1HE2  GLN  30          2HE2      GLN  30  10.041   1.084   1.382
  243   2HE2  GLN  30          1HE2      GLN  30  10.126  -0.659   1.243
  244    H    GLU  31           H        GLU  31   7.834  -3.541   6.806
  245    HA   GLU  31           HA       GLU  31   9.165  -5.923   5.920
  246   1HB   GLU  31          1HB       GLU  31   8.786  -4.241   8.360
  247   2HB   GLU  31          2HB       GLU  31   8.612  -5.914   8.775
  248   1HG   GLU  31          1HG       GLU  31  11.014  -4.645   7.435
  249   2HG   GLU  31          2HG       GLU  31  10.884  -5.125   9.128
  250    H    ILE  32           H        ILE  32   6.124  -5.207   7.505
  251    HA   ILE  32           HA       ILE  32   5.071  -7.798   7.922
  252    HB   ILE  32           HB       ILE  32   4.098  -4.999   7.555
  253   1HG1  ILE  32          1HG1      ILE  32   3.758  -7.202   9.641
  254   2HG1  ILE  32          2HG1      ILE  32   4.821  -5.797   9.738
  255   1HG2  ILE  32          1HG2      ILE  32   2.100  -7.214   7.458
  256   2HG2  ILE  32          2HG2      ILE  32   1.775  -5.467   7.698
  257   3HG2  ILE  32          3HG2      ILE  32   2.460  -5.999   6.188
  258   1HD1  ILE  32          2HD1      ILE  32   2.735  -4.349   9.773
  259   2HD1  ILE  32          3HD1      ILE  32   1.786  -5.847   9.943
  260   3HD1  ILE  32          1HD1      ILE  32   2.967  -5.418  11.180
  261    H    LEU  33           H        LEU  33   4.830  -5.634   5.026
  262    HA   LEU  33           HA       LEU  33   3.314  -7.682   3.714
  263   1HB   LEU  33          1HB       LEU  33   4.421  -5.008   2.799
  264   2HB   LEU  33          2HB       LEU  33   3.843  -6.151   1.613
  265    HG   LEU  33           HG       LEU  33   2.083  -4.971   3.836
  266   1HD1  LEU  33          2HD1      LEU  33   2.158  -4.483   0.862
  267   2HD1  LEU  33          3HD1      LEU  33   0.971  -3.864   2.008
  268   3HD1  LEU  33          1HD1      LEU  33   2.666  -3.370   2.167
  269   1HD2  LEU  33          3HD2      LEU  33   1.493  -6.932   1.556
  270   2HD2  LEU  33          1HD2      LEU  33   1.269  -7.219   3.295
  271   3HD2  LEU  33          2HD2      LEU  33   0.253  -6.039   2.462
  272    H    SER  34           H        SER  34   6.736  -6.495   3.485
  273    HA   SER  34           HA       SER  34   7.422  -8.071   1.227
  274   1HB   SER  34          1HB       SER  34   8.577  -6.046   2.327
  275   2HB   SER  34          2HB       SER  34   9.418  -7.233   3.339
  276    HG   SER  34           HG       SER  34  10.218  -8.108   1.311
  277    H    GLN  35           H        GLN  35   7.184  -8.940   4.701
  278    HA   GLN  35           HA       GLN  35   8.791 -11.312   4.492
  279   1HB   GLN  35          1HB       GLN  35   6.884 -10.134   6.514
  280   2HB   GLN  35          2HB       GLN  35   6.984 -11.859   6.513
  281   1HG   GLN  35          1HG       GLN  35   9.668 -11.280   6.457
  282   2HG   GLN  35          2HG       GLN  35   9.042  -9.923   7.395
  283   1HE2  GLN  35          2HE2      GLN  35   8.012 -12.056  10.160
  284   2HE2  GLN  35          1HE2      GLN  35   7.989 -10.444   9.447
  285    H    LEU  36           H        LEU  36   5.495 -10.683   3.422
  286    HA   LEU  36           HA       LEU  36   4.609 -13.409   3.870
  287   1HB   LEU  36          1HB       LEU  36   3.522 -11.035   2.309
  288   2HB   LEU  36          2HB       LEU  36   2.732 -12.605   2.254
  289    HG   LEU  36           HG       LEU  36   3.269 -11.069   4.842
  290   1HD1  LEU  36          1HD1      LEU  36   1.640  -9.913   3.355
  291   2HD1  LEU  36          2HD1      LEU  36   0.653 -11.398   3.333
  292   3HD1  LEU  36          3HD1      LEU  36   0.920 -10.518   4.855
  293   1HD2  LEU  36          1HD2      LEU  36   1.769 -13.635   4.190
  294   2HD2  LEU  36          2HD2      LEU  36   3.059 -13.397   5.385
  295   3HD2  LEU  36          3HD2      LEU  36   1.465 -12.713   5.675
  296    HA   PRO  37           HA       PRO  37   6.261 -15.003   0.033
  297   1HB   PRO  37          1HB       PRO  37   4.814 -17.267  -0.350
  298   2HB   PRO  37          2HB       PRO  37   5.938 -17.068   1.023
  299   1HG   PRO  37          1HG       PRO  37   2.925 -16.669   1.028
  300   2HG   PRO  37          2HG       PRO  37   3.923 -17.602   2.180
  301   1HD   PRO  37          1HD       PRO  37   3.136 -15.028   2.668
  302   2HD   PRO  37          2HD       PRO  37   4.700 -15.678   3.246
  303    H    ILE  38           H        ILE  38   5.445 -12.984  -1.148
  304    HA   ILE  38           HA       ILE  38   2.815 -13.381  -2.537
  305    HB   ILE  38           HB       ILE  38   4.484 -10.994  -1.605
  306   1HG1  ILE  38          1HG1      ILE  38   1.462 -11.468  -1.527
  307   2HG1  ILE  38          2HG1      ILE  38   2.562 -12.086  -0.298
  308   1HG2  ILE  38          3HG2      ILE  38   2.318 -10.735  -3.760
  309   2HG2  ILE  38          1HG2      ILE  38   3.061  -9.395  -2.872
  310   3HG2  ILE  38          2HG2      ILE  38   4.047 -10.355  -3.935
  311   1HD1  ILE  38          2HD1      ILE  38   3.364  -9.729   0.108
  312   2HD1  ILE  38          3HD1      ILE  38   1.994  -9.177  -0.896
  313   3HD1  ILE  38          1HD1      ILE  38   1.708 -10.077   0.596
  314    H    LYS  39           H        LYS  39   2.758 -13.170  -4.818
  315    HA   LYS  39           HA       LYS  39   4.733 -14.167  -6.336
  316   1HB   LYS  39          1HB       LYS  39   2.330 -12.606  -6.845
  317   2HB   LYS  39          2HB       LYS  39   3.550 -12.480  -8.104
  318   1HG   LYS  39          1HG       LYS  39   2.839 -15.228  -7.084
  319   2HG   LYS  39          2HG       LYS  39   1.689 -14.378  -8.106
  320   1HD   LYS  39          1HD       LYS  39   4.549 -15.079  -8.782
  321   2HD   LYS  39          2HD       LYS  39   3.087 -15.875  -9.381
  322   1HE   LYS  39          1HE       LYS  39   2.354 -13.745 -10.469
  323   2HE   LYS  39          2HE       LYS  39   3.849 -12.962  -9.933
  324   1HZ   LYS  39          2HZ       LYS  39   5.098 -14.482 -11.264
  325   2HZ   LYS  39          3HZ       LYS  39   3.682 -15.190 -11.833
  326   3HZ   LYS  39          1HZ       LYS  39   4.059 -13.610 -12.147
  327    H    GLN  40           H        GLN  40   6.734 -13.404  -7.100
  328    HA   GLN  40           HA       GLN  40   7.739 -10.979  -5.944
  329   1HB   GLN  40          1HB       GLN  40   9.154 -12.988  -6.432
  330   2HB   GLN  40          2HB       GLN  40   8.900 -12.719  -8.158
  331   1HG   GLN  40          1HG       GLN  40  11.025 -11.870  -7.699
  332   2HG   GLN  40          2HG       GLN  40  10.028 -10.449  -7.894
  333   1HE2  GLN  40          2HE2      GLN  40  12.360 -10.143  -4.891
  334   2HE2  GLN  40          1HE2      GLN  40  12.611 -10.613  -6.564
  335    H    GLY  41           H        GLY  41   8.030  -8.978  -6.830
  336   1HA   GLY  41          1HA       GLY  41   8.046  -7.325  -8.466
  337   2HA   GLY  41          2HA       GLY  41   7.335  -8.430  -9.637
  338    H    LEU  42           H        LEU  42   5.190  -9.085  -7.155
  339    HA   LEU  42           HA       LEU  42   3.345  -7.250  -8.291
  340   1HB   LEU  42          1HB       LEU  42   3.115  -8.998  -5.816
  341   2HB   LEU  42          2HB       LEU  42   1.842  -8.008  -6.478
  342    HG   LEU  42           HG       LEU  42   3.011 -10.506  -7.582
  343   1HD1  LEU  42          3HD1      LEU  42   1.039 -10.514  -6.056
  344   2HD1  LEU  42          1HD1      LEU  42   0.159  -9.509  -7.232
  345   3HD1  LEU  42          2HD1      LEU  42   0.639 -11.157  -7.668
  346   1HD2  LEU  42          3HD2      LEU  42   1.462  -8.531  -9.240
  347   2HD2  LEU  42          1HD2      LEU  42   3.079  -9.204  -9.557
  348   3HD2  LEU  42          2HD2      LEU  42   1.662 -10.254  -9.644
  349    H    LEU  43           H        LEU  43   5.331  -7.191  -5.341
  350    HA   LEU  43           HA       LEU  43   3.599  -5.213  -4.084
  351   1HB   LEU  43          1HB       LEU  43   5.138  -7.233  -3.027
  352   2HB   LEU  43          2HB       LEU  43   6.224  -5.880  -2.870
  353    HG   LEU  43           HG       LEU  43   5.220  -5.808  -0.834
  354   1HD1  LEU  43          3HD1      LEU  43   4.761  -3.602  -1.949
  355   2HD1  LEU  43          1HD1      LEU  43   3.113  -4.151  -2.301
  356   3HD1  LEU  43          2HD1      LEU  43   3.664  -3.996  -0.632
  357   1HD2  LEU  43          3HD2      LEU  43   2.790  -6.990  -2.153
  358   2HD2  LEU  43          1HD2      LEU  43   3.745  -7.551  -0.802
  359   3HD2  LEU  43          2HD2      LEU  43   2.648  -6.205  -0.554
  360    H    GLU  44           H        GLU  44   3.831  -3.054  -4.607
  361    HA   GLU  44           HA       GLU  44   6.554  -2.063  -5.296
  362   1HB   GLU  44          1HB       GLU  44   4.920  -2.170  -7.215
  363   2HB   GLU  44          2HB       GLU  44   3.903  -0.989  -6.350
  364   1HG   GLU  44          1HG       GLU  44   5.899   0.546  -6.223
  365   2HG   GLU  44          2HG       GLU  44   6.833  -0.665  -7.098
  366    H    PHE  45           H        PHE  45   7.329  -0.614  -3.895
  367    HA   PHE  45           HA       PHE  45   5.479   0.798  -2.029
  368   1HB   PHE  45          1HB       PHE  45   8.506   0.584  -1.900
  369   2HB   PHE  45          2HB       PHE  45   7.415   1.150  -0.642
  370    HD1  PHE  45          1HD       PHE  45   5.381  -0.837  -0.282
  371    HD2  PHE  45          2HD       PHE  45   9.523  -1.448  -1.294
  372    HE1  PHE  45          1HE       PHE  45   5.291  -3.105   0.703
  373    HE2  PHE  45          2HE       PHE  45   9.410  -3.736  -0.351
  374    HZ   PHE  45           HZ       PHE  45   7.294  -4.563   0.672
  375    H    VAL  46           H        VAL  46   5.082   2.969  -2.439
  376    HA   VAL  46           HA       VAL  46   6.616   4.257  -4.623
  377    HB   VAL  46           HB       VAL  46   3.640   4.318  -3.993
  378   1HG1  VAL  46          1HG1      VAL  46   5.337   5.512  -6.213
  379   2HG1  VAL  46          2HG1      VAL  46   3.576   5.348  -6.330
  380   3HG1  VAL  46          3HG1      VAL  46   4.273   6.358  -5.062
  381   1HG2  VAL  46          2HG2      VAL  46   5.127   2.843  -6.204
  382   2HG2  VAL  46          3HG2      VAL  46   4.233   2.100  -4.855
  383   3HG2  VAL  46          1HG2      VAL  46   3.365   3.021  -6.078
  384    H    ASP  47           H        ASP  47   7.818   5.848  -3.783
  385    HA   ASP  47           HA       ASP  47   7.327   7.028  -1.220
  386   1HB   ASP  47          1HB       ASP  47   9.561   6.425  -2.080
  387   2HB   ASP  47          2HB       ASP  47   9.429   7.743  -3.244
  388    H    ILE  48           H        ILE  48   5.695   8.396  -1.026
  389    HA   ILE  48           HA       ILE  48   4.958  10.410  -2.923
  390    HB   ILE  48           HB       ILE  48   3.439  11.209  -1.324
  391   1HG1  ILE  48          1HG1      ILE  48   4.669   9.588   0.934
  392   2HG1  ILE  48          2HG1      ILE  48   5.017  11.281   0.671
  393   1HG2  ILE  48          2HG2      ILE  48   3.073   8.882  -2.330
  394   2HG2  ILE  48          3HG2      ILE  48   3.596   8.197  -0.796
  395   3HG2  ILE  48          1HG2      ILE  48   2.154   9.198  -0.843
  396   1HD1  ILE  48          1HD1      ILE  48   2.575  11.795   0.856
  397   2HD1  ILE  48          2HD1      ILE  48   2.282  10.095   1.267
  398   3HD1  ILE  48          3HD1      ILE  48   3.280  11.101   2.330
  399    H    THR  49           H        THR  49   7.676  10.320  -0.789
  400    HA   THR  49           HA       THR  49   7.960  13.263  -1.009
  401    HB   THR  49           HB       THR  49   7.548  12.487   1.275
  402    HG1  THR  49           HG1      THR  49  10.093  13.527   0.714
  403   1HG2  THR  49          2HG2      THR  49  10.146  10.959   1.029
  404   2HG2  THR  49          3HG2      THR  49   9.415  11.451   2.571
  405   3HG2  THR  49          1HG2      THR  49   8.539  10.368   1.495
  406    H    ALA  50           H        ALA  50   8.903  10.658  -2.691
  407    HA   ALA  50           HA       ALA  50  11.712  11.000  -2.939
  408   1HB   ALA  50          2HB       ALA  50   9.652  10.316  -5.084
  409   2HB   ALA  50          3HB       ALA  50  11.408  10.292  -5.316
  410   3HB   ALA  50          1HB       ALA  50  10.668   9.207  -4.144
  411    H    THR  51           H        THR  51   9.026  12.692  -4.668
  412    HA   THR  51           HA       THR  51  10.490  15.171  -4.381
  413    HB   THR  51           HB       THR  51  11.215  13.710  -6.610
  414    HG1  THR  51           HG1      THR  51  11.444  16.498  -6.117
  415   1HG2  THR  51          1HG2      THR  51   9.176  14.378  -7.784
  416   2HG2  THR  51          2HG2      THR  51   9.561  16.097  -7.462
  417   3HG2  THR  51          3HG2      THR  51  10.643  15.107  -8.472
  418    H    ASN  52           H        ASN  52   7.688  13.496  -5.802
  419    HA   ASN  52           HA       ASN  52   6.464  15.399  -7.157
  420   1HB   ASN  52          1HB       ASN  52   5.517  13.176  -6.985
  421   2HB   ASN  52          2HB       ASN  52   5.026  13.457  -5.314
  422   1HD2  ASN  52          2HD2      ASN  52   2.348  15.732  -6.349
  423   2HD2  ASN  52          1HD2      ASN  52   3.146  15.101  -4.930
  424    H    HIS  53           H        HIS  53   5.583  14.964  -3.779
  425    HA   HIS  53           HA       HIS  53   5.382  17.123  -2.413
  426   1HB   HIS  53          1HB       HIS  53   3.394  17.611  -4.612
  427   2HB   HIS  53          2HB       HIS  53   2.981  17.989  -2.958
  428    HD1  HIS  53          1HD       HIS  53   5.913  19.125  -2.056
  429    HD2  HIS  53          2HD       HIS  53   3.601  20.163  -5.435
  430    HE1  HIS  53          1HE       HIS  53   6.694  21.441  -2.790
  431    H    THR  54           H        THR  54   5.104  15.855  -0.693
  432    HA   THR  54           HA       THR  54   3.542  13.591  -0.644
  433    HB   THR  54           HB       THR  54   4.440  13.288   1.256
  434    HG1  THR  54           HG1      THR  54   3.060  14.525   2.494
  435   1HG2  THR  54          1HG2      THR  54   6.368  14.298   0.164
  436   2HG2  THR  54          2HG2      THR  54   6.019  15.818   1.017
  437   3HG2  THR  54          3HG2      THR  54   6.444  14.358   1.931
  438    H    ASN  55           H        ASN  55   2.880  16.722   0.948
  439    HA   ASN  55           HA       ASN  55   0.331  16.097   1.683
  440   1HB   ASN  55          1HB       ASN  55   1.494  18.188   2.367
  441   2HB   ASN  55          2HB       ASN  55   0.850  18.951   0.892
  442   1HD2  ASN  55          2HD2      ASN  55  -2.369  19.305   2.457
  443   2HD2  ASN  55          1HD2      ASN  55  -1.301  19.840   1.171
  444    H    GLU  56           H        GLU  56   1.161  17.130  -1.681
  445    HA   GLU  56           HA       GLU  56  -1.579  17.439  -2.514
  446   1HB   GLU  56          1HB       GLU  56   1.109  17.164  -3.760
  447   2HB   GLU  56          2HB       GLU  56  -0.154  16.452  -4.727
  448   1HG   GLU  56          1HG       GLU  56  -0.388  19.278  -3.625
  449   2HG   GLU  56          2HG       GLU  56   0.411  18.903  -5.154
  450    H    ILE  57           H        ILE  57   0.655  14.649  -2.574
  451    HA   ILE  57           HA       ILE  57  -1.208  12.832  -3.803
  452    HB   ILE  57           HB       ILE  57   1.409  12.600  -2.251
  453   1HG1  ILE  57          1HG1      ILE  57   0.799  11.431  -4.987
  454   2HG1  ILE  57          2HG1      ILE  57   0.988  13.187  -4.841
  455   1HG2  ILE  57          2HG2      ILE  57  -0.426  10.313  -3.097
  456   2HG2  ILE  57          3HG2      ILE  57   1.312  10.096  -2.933
  457   3HG2  ILE  57          1HG2      ILE  57   0.350  10.577  -1.523
  458   1HD1  ILE  57          2HD1      ILE  57   3.077  11.176  -3.934
  459   2HD1  ILE  57          3HD1      ILE  57   3.105  12.126  -5.435
  460   3HD1  ILE  57          1HD1      ILE  57   3.202  12.944  -3.862
  461    H    GLN  58           H        GLN  58  -0.414  13.680  -0.491
  462    HA   GLN  58           HA       GLN  58  -1.712  11.696   1.039
  463   1HB   GLN  58          1HB       GLN  58  -0.937  14.607   1.299
  464   2HB   GLN  58          2HB       GLN  58  -1.990  13.962   2.501
  465   1HG   GLN  58          1HG       GLN  58   0.782  12.889   1.886
  466   2HG   GLN  58          2HG       GLN  58   0.386  13.984   3.204
  467   1HE2  GLN  58          2HE2      GLN  58  -1.790  11.098   4.491
  468   2HE2  GLN  58          1HE2      GLN  58  -2.111  12.762   4.026
  469    H    ASP  59           H        ASP  59  -2.846  14.920  -0.133
  470    HA   ASP  59           HA       ASP  59  -5.472  14.745   0.912
  471   1HB   ASP  59          1HB       ASP  59  -3.951  16.703  -0.262
  472   2HB   ASP  59          2HB       ASP  59  -4.999  16.330  -1.603
  473    H    TYR  60           H        TYR  60  -4.104  14.087  -2.241
  474    HA   TYR  60           HA       TYR  60  -6.481  13.265  -3.557
  475   1HB   TYR  60          1HB       TYR  60  -4.149  13.629  -4.544
  476   2HB   TYR  60          2HB       TYR  60  -3.800  11.956  -4.097
  477    HD1  TYR  60          2HD       TYR  60  -5.376  10.097  -5.021
  478    HD2  TYR  60          1HD       TYR  60  -5.420  14.173  -6.495
  479    HE1  TYR  60          2HE       TYR  60  -6.784   9.409  -6.928
  480    HE2  TYR  60          1HE       TYR  60  -6.795  13.466  -8.396
  481    HH   TYR  60           HH       TYR  60  -8.098  11.770  -9.280
  482    H    LEU  61           H        LEU  61  -4.207  11.259  -1.615
  483    HA   LEU  61           HA       LEU  61  -5.677   8.810  -1.949
  484   1HB   LEU  61          1HB       LEU  61  -3.761   9.730   0.223
  485   2HB   LEU  61          2HB       LEU  61  -4.453   8.119   0.188
  486    HG   LEU  61           HG       LEU  61  -2.795   9.268  -2.103
  487   1HD1  LEU  61          1HD1      LEU  61  -1.456   9.203  -0.020
  488   2HD1  LEU  61          2HD1      LEU  61  -1.882   7.494   0.206
  489   3HD1  LEU  61          3HD1      LEU  61  -0.909   8.004  -1.197
  490   1HD2  LEU  61          3HD2      LEU  61  -3.595   6.433  -1.370
  491   2HD2  LEU  61          1HD2      LEU  61  -4.227   7.385  -2.729
  492   3HD2  LEU  61          2HD2      LEU  61  -2.525   6.908  -2.711
  493    H    GLN  62           H        GLN  62  -5.937  11.468   0.419
  494    HA   GLN  62           HA       GLN  62  -7.861  10.286   2.118
  495   1HB   GLN  62          1HB       GLN  62  -6.595  12.431   2.492
  496   2HB   GLN  62          2HB       GLN  62  -7.655  13.243   1.367
  497   1HG   GLN  62          1HG       GLN  62  -8.930  11.707   3.610
  498   2HG   GLN  62          2HG       GLN  62  -8.095  13.203   3.997
  499   1HE2  GLN  62          2HE2      GLN  62 -11.160  14.856   3.467
  500   2HE2  GLN  62          1HE2      GLN  62 -10.128  14.166   4.686
  501    H    GLN  63           H        GLN  63  -8.324  12.294  -0.814
  502    HA   GLN  63           HA       GLN  63 -11.138  12.112  -0.845
  503   1HB   GLN  63          1HB       GLN  63  -9.454  13.600  -2.184
  504   2HB   GLN  63          2HB       GLN  63  -9.376  12.274  -3.324
  505   1HG   GLN  63          1HG       GLN  63 -10.993  13.834  -4.156
  506   2HG   GLN  63          2HG       GLN  63 -11.883  12.420  -3.603
  507   1HE2  GLN  63          2HE2      GLN  63 -12.342  16.065  -1.697
  508   2HE2  GLN  63          1HE2      GLN  63 -10.860  15.754  -2.565
  509    H    LEU  64           H        LEU  64  -8.694  10.229  -2.560
  510    HA   LEU  64           HA       LEU  64 -10.509   8.661  -4.059
  511   1HB   LEU  64          1HB       LEU  64  -8.362   8.939  -4.975
  512   2HB   LEU  64          2HB       LEU  64  -7.573   8.516  -3.461
  513    HG   LEU  64           HG       LEU  64  -8.249   6.115  -3.764
  514   1HD1  LEU  64          1HD1      LEU  64 -10.126   6.535  -5.394
  515   2HD1  LEU  64          2HD1      LEU  64  -8.926   7.042  -6.594
  516   3HD1  LEU  64          3HD1      LEU  64  -8.927   5.375  -5.983
  517   1HD2  LEU  64          1HD2      LEU  64  -6.527   7.349  -5.949
  518   2HD2  LEU  64          2HD2      LEU  64  -5.984   6.917  -4.315
  519   3HD2  LEU  64          3HD2      LEU  64  -6.513   5.657  -5.447
  520    H    THR  65           H        THR  65  -8.827   7.904  -0.947
  521    HA   THR  65           HA       THR  65 -10.182   5.250  -0.960
  522    HB   THR  65           HB       THR  65  -8.486   4.457   0.501
  523    HG1  THR  65           HG1      THR  65  -7.438   7.108   0.508
  524   1HG2  THR  65          3HG2      THR  65  -7.981   4.467  -1.918
  525   2HG2  THR  65          1HG2      THR  65  -7.127   6.026  -1.720
  526   3HG2  THR  65          2HG2      THR  65  -6.531   4.576  -0.905
  527    H    GLY  66           H        GLY  66 -10.343   8.311   0.761
  528   1HA   GLY  66          1HA       GLY  66 -12.161   8.756   2.173
  529   2HA   GLY  66          2HA       GLY  66 -12.343   7.047   2.528
  530    H    ALA  67           H        ALA  67  -8.998   7.863   2.671
  531    HA   ALA  67           HA       ALA  67  -8.991   9.087   5.282
  532   1HB   ALA  67          1HB       ALA  67  -7.970   6.257   4.913
  533   2HB   ALA  67          2HB       ALA  67  -7.704   7.264   6.354
  534   3HB   ALA  67          3HB       ALA  67  -9.356   6.739   5.912
  535    H    ARG  68           H        ARG  68  -6.918   9.918   5.728
  536    HA   ARG  68           HA       ARG  68  -5.213  10.049   3.298
  537   1HB   ARG  68          1HB       ARG  68  -4.544  12.103   3.890
  538   2HB   ARG  68          2HB       ARG  68  -6.135  12.078   4.642
  539   1HG   ARG  68          1HG       ARG  68  -5.057  11.631   6.859
  540   2HG   ARG  68          2HG       ARG  68  -3.474  11.721   6.076
  541   1HD   ARG  68          1HD       ARG  68  -3.732  13.915   6.854
  542   2HD   ARG  68          2HD       ARG  68  -4.221  14.036   5.173
  543    HE   ARG  68           HE       ARG  68  -6.328  14.608   5.826
  544   1HH1  ARG  68          2HH2      ARG  68  -4.592  13.443   8.747
  545   2HH1  ARG  68          1HH2      ARG  68  -5.962  13.721   9.774
  546   1HH2  ARG  68          2HH1      ARG  68  -8.042  15.006   7.223
  547   2HH2  ARG  68          1HH1      ARG  68  -7.914  14.745   8.922
  548    H    THR  69           H        THR  69  -5.073   8.071   6.082
  549    HA   THR  69           HA       THR  69  -2.384   8.588   6.881
  550    HB   THR  69           HB       THR  69  -2.749   6.111   7.766
  551    HG1  THR  69           HG1      THR  69  -5.252   6.055   8.037
  552   1HG2  THR  69          3HG2      THR  69  -4.476   8.429   8.698
  553   2HG2  THR  69          1HG2      THR  69  -4.112   6.975   9.655
  554   3HG2  THR  69          2HG2      THR  69  -2.806   8.078   9.213
  555    H    VAL  70           H        VAL  70  -0.553   7.860   6.283
  556    HA   VAL  70           HA       VAL  70  -0.316   5.782   4.194
  557    HB   VAL  70           HB       VAL  70   2.188   6.529   4.349
  558   1HG1  VAL  70          2HG1      VAL  70   0.765   6.790   2.351
  559   2HG1  VAL  70          3HG1      VAL  70   0.147   8.327   2.982
  560   3HG1  VAL  70          1HG1      VAL  70   1.865   8.153   2.563
  561   1HG2  VAL  70          2HG2      VAL  70   1.862   8.057   6.320
  562   2HG2  VAL  70          3HG2      VAL  70   2.578   8.865   4.912
  563   3HG2  VAL  70          1HG2      VAL  70   0.874   9.117   5.292
  564    HA   PRO  71           HA       PRO  71   1.774   4.317   3.789
  565   1HB   PRO  71          1HB       PRO  71   1.805   1.565   4.059
  566   2HB   PRO  71          2HB       PRO  71   3.180   2.611   4.486
  567   1HG   PRO  71          1HG       PRO  71   1.067   1.450   6.303
  568   2HG   PRO  71          2HG       PRO  71   2.836   1.578   6.582
  569   1HD   PRO  71          1HD       PRO  71   1.091   3.315   7.688
  570   2HD   PRO  71          2HD       PRO  71   2.723   3.812   7.154
  571    H    ARG  72           H        ARG  72   0.373   3.779   2.096
  572    HA   ARG  72           HA       ARG  72  -2.392   3.000   2.933
  573   1HB   ARG  72          1HB       ARG  72  -1.847   5.395   1.980
  574   2HB   ARG  72          2HB       ARG  72  -1.725   4.579   0.427
  575   1HG   ARG  72          1HG       ARG  72  -3.986   5.278   0.515
  576   2HG   ARG  72          2HG       ARG  72  -4.034   3.572   0.978
  577   1HD   ARG  72          1HD       ARG  72  -3.795   4.491   3.414
  578   2HD   ARG  72          2HD       ARG  72  -4.257   6.056   2.720
  579    HE   ARG  72           HE       ARG  72  -6.296   4.610   1.865
  580   1HH1  ARG  72          2HH2      ARG  72  -4.854   5.027   5.057
  581   2HH1  ARG  72          1HH2      ARG  72  -6.113   4.268   5.951
  582   1HH2  ARG  72          2HH1      ARG  72  -8.039   3.419   3.049
  583   2HH2  ARG  72          1HH1      ARG  72  -8.136   3.735   4.744
  584    H    VAL  73           H        VAL  73  -2.340   0.777   2.677
  585    HA   VAL  73           HA       VAL  73  -0.985  -0.435   0.376
  586    HB   VAL  73           HB       VAL  73  -2.709  -1.578   2.624
  587   1HG1  VAL  73          1HG1      VAL  73  -1.198  -3.091   0.429
  588   2HG1  VAL  73          2HG1      VAL  73  -1.949  -3.831   1.856
  589   3HG1  VAL  73          3HG1      VAL  73  -2.953  -3.065   0.645
  590   1HG2  VAL  73          1HG2      VAL  73   0.293  -1.690   2.104
  591   2HG2  VAL  73          2HG2      VAL  73  -0.530  -0.884   3.459
  592   3HG2  VAL  73          3HG2      VAL  73  -0.549  -2.644   3.317
  593    H    PHE  74           H        PHE  74  -1.905  -0.826  -1.534
  594    HA   PHE  74           HA       PHE  74  -4.822  -1.269  -1.743
  595   1HB   PHE  74          1HB       PHE  74  -2.818  -0.303  -3.811
  596   2HB   PHE  74          2HB       PHE  74  -4.389  -0.971  -4.210
  597    HD1  PHE  74          2HD       PHE  74  -2.798   1.814  -2.236
  598    HD2  PHE  74          1HD       PHE  74  -6.282   0.432  -4.387
  599    HE1  PHE  74          2HE       PHE  74  -3.750   4.110  -2.218
  600    HE2  PHE  74          1HE       PHE  74  -7.179   2.726  -4.421
  601    HZ   PHE  74           HZ       PHE  74  -5.882   4.579  -3.381
  602    H    ILE  75           H        ILE  75  -5.086  -3.453  -1.659
  603    HA   ILE  75           HA       ILE  75  -3.074  -5.215  -2.968
  604    HB   ILE  75           HB       ILE  75  -4.927  -5.648  -0.701
  605   1HG1  ILE  75          1HG1      ILE  75  -3.350  -7.670  -0.434
  606   2HG1  ILE  75          2HG1      ILE  75  -2.412  -6.955  -1.759
  607   1HG2  ILE  75          3HG2      ILE  75  -4.670  -7.781  -2.863
  608   2HG2  ILE  75          1HG2      ILE  75  -5.320  -8.050  -1.245
  609   3HG2  ILE  75          2HG2      ILE  75  -6.181  -6.995  -2.359
  610   1HD1  ILE  75          3HD1      ILE  75  -2.036  -5.031  -0.341
  611   2HD1  ILE  75          1HD1      ILE  75  -2.943  -5.830   0.972
  612   3HD1  ILE  75          2HD1      ILE  75  -1.430  -6.538   0.367
  613    H    GLY  76           H        GLY  76  -3.419  -5.048  -5.116
  614   1HA   GLY  76          1HA       GLY  76  -4.417  -5.006  -7.126
  615   2HA   GLY  76          2HA       GLY  76  -5.587  -6.130  -6.424
  616    H    LYS  77           H        LYS  77  -4.856  -2.654  -6.551
  617    HA   LYS  77           HA       LYS  77  -6.125  -0.802  -6.322
  618   1HB   LYS  77          1HB       LYS  77  -6.881  -2.244  -8.703
  619   2HB   LYS  77          2HB       LYS  77  -8.296  -1.428  -8.102
  620   1HG   LYS  77          1HG       LYS  77  -6.715   0.674  -7.862
  621   2HG   LYS  77          2HG       LYS  77  -5.643  -0.249  -8.932
  622   1HD   LYS  77          1HD       LYS  77  -7.543  -0.408 -10.579
  623   2HD   LYS  77          2HD       LYS  77  -8.474   0.665  -9.507
  624   1HE   LYS  77          1HE       LYS  77  -6.503   2.317  -9.683
  625   2HE   LYS  77          2HE       LYS  77  -5.871   1.277 -10.972
  626   1HZ   LYS  77          3HZ       LYS  77  -8.164   1.624 -12.010
  627   2HZ   LYS  77          1HZ       LYS  77  -8.358   2.853 -10.960
  628   3HZ   LYS  77          2HZ       LYS  77  -7.112   2.922 -12.015
  629    H    ASP  78           H        ASP  78  -7.061  -3.082  -4.377
  630    HA   ASP  78           HA       ASP  78  -9.441  -1.525  -3.508
  631   1HB   ASP  78          1HB       ASP  78  -9.873  -3.965  -3.821
  632   2HB   ASP  78          2HB       ASP  78  -8.600  -4.316  -2.644
  633    H    CYS  79           H        CYS  79  -8.682   0.025  -2.206
  634    HA   CYS  79           HA       CYS  79  -6.216  -0.180  -0.754
  635   1HB   CYS  79          1HB       CYS  79  -7.216   1.958  -1.552
  636   2HB   CYS  79          2HB       CYS  79  -8.467   1.804  -0.304
  637    HG   CYS  79           HG       CYS  79  -5.244   1.372   0.283
  638    H    ILE  80           H        ILE  80  -5.989  -1.704   0.948
  639    HA   ILE  80           HA       ILE  80  -8.435  -2.616   2.180
  640    HB   ILE  80           HB       ILE  80  -7.142  -4.329   3.094
  641   1HG1  ILE  80          1HG1      ILE  80  -4.664  -4.545   2.483
  642   2HG1  ILE  80          2HG1      ILE  80  -4.673  -2.793   2.252
  643   1HG2  ILE  80          1HG2      ILE  80  -7.806  -4.407   0.690
  644   2HG2  ILE  80          2HG2      ILE  80  -6.162  -3.900   0.263
  645   3HG2  ILE  80          3HG2      ILE  80  -6.432  -5.438   1.114
  646   1HD1  ILE  80          2HD1      ILE  80  -5.656  -4.089   4.826
  647   2HD1  ILE  80          3HD1      ILE  80  -3.941  -3.741   4.539
  648   3HD1  ILE  80          1HD1      ILE  80  -5.101  -2.420   4.580
  649    H    GLY  81           H        GLY  81  -6.155  -0.168   2.929
  650   1HA   GLY  81          1HA       GLY  81  -7.220   1.222   4.828
  651   2HA   GLY  81          2HA       GLY  81  -6.838  -0.210   5.796
  652    H    GLY  82           H        GLY  82  -5.657   1.527   6.901
  653   1HA   GLY  82          1HA       GLY  82  -2.943   2.095   5.858
  654   2HA   GLY  82          2HA       GLY  82  -3.722   2.891   7.237
  655    H    CYS  83           H        CYS  83  -1.839   2.303   8.656
  656    HA   CYS  83           HA       CYS  83  -0.684  -0.279   8.543
  657   1HB   CYS  83          1HB       CYS  83  -0.286   2.239  10.076
  658   2HB   CYS  83          2HB       CYS  83  -0.025   0.780  11.047
  659    HG   CYS  83           HG       CYS  83   1.563  -0.435   9.384
  660    H    SER  84           H        SER  84  -3.207   1.211  10.637
  661    HA   SER  84           HA       SER  84  -3.030  -0.788  12.525
  662   1HB   SER  84          1HB       SER  84  -5.485   0.878  11.808
  663   2HB   SER  84          2HB       SER  84  -5.271  -0.016  13.321
  664    HG   SER  84           HG       SER  84  -4.788   2.161  13.516
  665    H    ASP  85           H        ASP  85  -5.224  -0.447   9.761
  666    HA   ASP  85           HA       ASP  85  -6.744  -2.854  10.084
  667   1HB   ASP  85          1HB       ASP  85  -6.280  -0.786   7.974
  668   2HB   ASP  85          2HB       ASP  85  -6.722  -2.373   7.367
  669    H    LEU  86           H        LEU  86  -3.837  -2.032   8.111
  670    HA   LEU  86           HA       LEU  86  -3.413  -4.555   7.043
  671   1HB   LEU  86          1HB       LEU  86  -2.254  -2.480   6.357
  672   2HB   LEU  86          2HB       LEU  86  -1.357  -2.484   7.874
  673    HG   LEU  86           HG       LEU  86  -0.325  -4.692   7.212
  674   1HD1  LEU  86          1HD1      LEU  86  -1.690  -4.126   4.540
  675   2HD1  LEU  86          2HD1      LEU  86  -0.425  -5.343   4.820
  676   3HD1  LEU  86          3HD1      LEU  86  -1.992  -5.508   5.611
  677   1HD2  LEU  86          2HD2      LEU  86   0.067  -2.274   5.418
  678   2HD2  LEU  86          3HD2      LEU  86   0.899  -2.650   6.924
  679   3HD2  LEU  86          1HD2      LEU  86   1.186  -3.659   5.507
  680    H    VAL  87           H        VAL  87  -2.424  -3.464  10.441
  681    HA   VAL  87           HA       VAL  87  -0.950  -5.810  10.968
  682    HB   VAL  87           HB       VAL  87  -2.299  -3.620  12.579
  683   1HG1  VAL  87          2HG1      VAL  87  -1.013  -6.145  13.626
  684   2HG1  VAL  87          3HG1      VAL  87  -1.281  -4.671  14.599
  685   3HG1  VAL  87          1HG1      VAL  87  -2.665  -5.549  13.927
  686   1HG2  VAL  87          1HG2      VAL  87   0.594  -4.531  12.318
  687   2HG2  VAL  87          2HG2      VAL  87  -0.124  -3.080  11.599
  688   3HG2  VAL  87          3HG2      VAL  87   0.014  -3.195  13.343
  689    H    SER  88           H        SER  88  -4.522  -4.971  11.457
  690    HA   SER  88           HA       SER  88  -5.011  -7.475  12.786
  691   1HB   SER  88          1HB       SER  88  -6.705  -5.343  11.560
  692   2HB   SER  88          2HB       SER  88  -7.348  -6.971  11.345
  693    HG   SER  88           HG       SER  88  -7.740  -5.691  13.483
  694    H    LEU  89           H        LEU  89  -5.305  -6.456   9.345
  695    HA   LEU  89           HA       LEU  89  -6.252  -8.988   8.457
  696   1HB   LEU  89          1HB       LEU  89  -4.873  -6.715   6.972
  697   2HB   LEU  89          2HB       LEU  89  -5.409  -8.204   6.221
  698    HG   LEU  89           HG       LEU  89  -7.739  -7.708   7.235
  699   1HD1  LEU  89          1HD1      LEU  89  -6.578  -4.909   7.063
  700   2HD1  LEU  89          2HD1      LEU  89  -8.307  -5.285   7.114
  701   3HD1  LEU  89          3HD1      LEU  89  -7.304  -5.704   8.495
  702   1HD2  LEU  89          3HD2      LEU  89  -6.597  -6.244   4.817
  703   2HD2  LEU  89          1HD2      LEU  89  -7.246  -7.902   4.846
  704   3HD2  LEU  89          2HD2      LEU  89  -8.320  -6.536   5.152
  705    H    GLN  90           H        GLN  90  -2.882  -7.844   9.097
  706    HA   GLN  90           HA       GLN  90  -1.706 -10.230   7.974
  707   1HB   GLN  90          1HB       GLN  90  -0.456  -8.156   8.208
  708   2HB   GLN  90          2HB       GLN  90  -0.654  -8.145   9.943
  709   1HG   GLN  90          1HG       GLN  90   0.557 -10.669   8.989
  710   2HG   GLN  90          2HG       GLN  90   1.442  -9.267   8.431
  711   1HE2  GLN  90          2HE2      GLN  90   3.291  -9.631  11.452
  712   2HE2  GLN  90          1HE2      GLN  90   3.267  -9.882   9.706
  713    H    GLN  91           H        GLN  91  -2.325  -9.202  11.425
  714    HA   GLN  91           HA       GLN  91  -1.343 -11.461  12.619
  715   1HB   GLN  91          1HB       GLN  91  -2.476  -8.880  13.310
  716   2HB   GLN  91          2HB       GLN  91  -3.402 -10.054  14.172
  717   1HG   GLN  91          1HG       GLN  91  -0.735 -10.855  14.557
  718   2HG   GLN  91          2HG       GLN  91  -0.662  -9.101  14.554
  719   1HE2  GLN  91          2HE2      GLN  91  -2.485 -11.026  17.693
  720   2HE2  GLN  91          1HE2      GLN  91  -1.967 -11.932  16.277
  721    H    SER  92           H        SER  92  -4.767 -10.514  12.042
  722    HA   SER  92           HA       SER  92  -5.908 -13.027  12.941
  723   1HB   SER  92          1HB       SER  92  -6.996 -10.662  12.833
  724   2HB   SER  92          2HB       SER  92  -7.165 -10.957  11.097
  725    HG   SER  92           HG       SER  92  -9.013 -11.593  12.116
  726    H    GLY  93           H        GLY  93  -4.492 -11.723   9.969
  727   1HA   GLY  93          1HA       GLY  93  -3.644 -13.010   8.267
  728   2HA   GLY  93          2HA       GLY  93  -4.594 -14.393   8.796
  729    H    GLU  94           H        GLU  94  -6.539 -11.417   8.406
  730    HA   GLU  94           HA       GLU  94  -7.972 -12.764   6.305
  731   1HB   GLU  94          1HB       GLU  94  -8.915 -11.255   8.062
  732   2HB   GLU  94          2HB       GLU  94  -8.105  -9.886   7.332
  733   1HG   GLU  94          1HG       GLU  94  -9.869 -11.478   5.510
  734   2HG   GLU  94          2HG       GLU  94 -10.683 -10.715   6.849
  735    H    LEU  95           H        LEU  95  -5.270 -10.603   6.343
  736    HA   LEU  95           HA       LEU  95  -5.395  -9.543   3.726
  737   1HB   LEU  95          1HB       LEU  95  -3.633  -9.115   5.737
  738   2HB   LEU  95          2HB       LEU  95  -2.767 -10.407   4.994
  739    HG   LEU  95           HG       LEU  95  -2.859  -9.040   2.807
  740   1HD1  LEU  95          2HD1      LEU  95  -3.874  -6.884   4.719
  741   2HD1  LEU  95          3HD1      LEU  95  -3.255  -6.590   3.091
  742   3HD1  LEU  95          1HD1      LEU  95  -4.737  -7.521   3.304
  743   1HD2  LEU  95          2HD2      LEU  95  -1.513  -7.853   5.272
  744   2HD2  LEU  95          3HD2      LEU  95  -0.872  -9.129   4.219
  745   3HD2  LEU  95          1HD2      LEU  95  -1.091  -7.497   3.581
  746    H    LEU  96           H        LEU  96  -4.513 -12.781   4.869
  747    HA   LEU  96           HA       LEU  96  -2.800 -13.386   2.632
  748   1HB   LEU  96          1HB       LEU  96  -4.153 -15.052   4.798
  749   2HB   LEU  96          2HB       LEU  96  -3.268 -15.818   3.504
  750    HG   LEU  96           HG       LEU  96  -1.993 -15.566   5.614
  751   1HD1  LEU  96          1HD1      LEU  96  -0.920 -15.834   3.388
  752   2HD1  LEU  96          2HD1      LEU  96  -0.686 -14.071   3.304
  753   3HD1  LEU  96          3HD1      LEU  96   0.086 -15.043   4.587
  754   1HD2  LEU  96          1HD2      LEU  96  -2.732 -13.280   6.282
  755   2HD2  LEU  96          2HD2      LEU  96  -0.970 -13.460   6.238
  756   3HD2  LEU  96          3HD2      LEU  96  -1.785 -12.598   4.936
  757    H    THR  97           H        THR  97  -6.246 -14.231   3.405
  758    HA   THR  97           HA       THR  97  -6.654 -15.588   0.894
  759    HB   THR  97           HB       THR  97  -8.615 -14.150   2.738
  760    HG1  THR  97           HG1      THR  97  -8.760 -16.121   3.775
  761   1HG2  THR  97          2HG2      THR  97  -9.016 -16.454   0.774
  762   2HG2  THR  97          3HG2      THR  97 -10.244 -15.821   1.889
  763   3HG2  THR  97          1HG2      THR  97  -9.630 -14.800   0.584
  764    H    ARG  98           H        ARG  98  -6.975 -12.151   1.974
  765    HA   ARG  98           HA       ARG  98  -8.214 -11.352  -0.450
  766   1HB   ARG  98          1HB       ARG  98  -7.866 -10.205   1.996
  767   2HB   ARG  98          2HB       ARG  98  -6.654  -9.301   1.110
  768   1HG   ARG  98          1HG       ARG  98  -9.419  -9.666  -0.111
  769   2HG   ARG  98          2HG       ARG  98  -9.255  -8.585   1.252
  770   1HD   ARG  98          1HD       ARG  98  -7.721  -7.163   0.084
  771   2HD   ARG  98          2HD       ARG  98  -7.415  -8.408  -1.139
  772    HE   ARG  98           HE       ARG  98  -9.013  -7.510  -2.382
  773   1HH1  ARG  98          2HH2      ARG  98  -9.797  -6.479   0.966
  774   2HH1  ARG  98          1HH2      ARG  98 -11.258  -5.694   0.446
  775   1HH2  ARG  98          2HH1      ARG  98 -11.076  -6.689  -2.907
  776   2HH2  ARG  98          1HH1      ARG  98 -11.775  -5.546  -1.794
  777    H    LEU  99           H        LEU  99  -4.742 -11.286   0.499
  778    HA   LEU  99           HA       LEU  99  -3.684 -10.322  -1.943
  779   1HB   LEU  99          1HB       LEU  99  -2.735 -12.231   0.234
  780   2HB   LEU  99          2HB       LEU  99  -1.738 -11.965  -1.182
  781    HG   LEU  99           HG       LEU  99  -2.713  -9.620   0.460
  782   1HD1  LEU  99          3HD1      LEU  99  -0.190 -11.262   0.909
  783   2HD1  LEU  99          1HD1      LEU  99  -0.560  -9.698   1.668
  784   3HD1  LEU  99          2HD1      LEU  99  -1.562 -11.114   2.021
  785   1HD2  LEU  99          3HD2      LEU  99  -0.316 -10.085  -1.383
  786   2HD2  LEU  99          1HD2      LEU  99  -1.765  -9.173  -1.800
  787   3HD2  LEU  99          2HD2      LEU  99  -0.677  -8.577  -0.529
  788    H    LYS 100           H        LYS 100  -4.595 -13.697  -0.984
  789    HA   LYS 100           HA       LYS 100  -3.766 -14.781  -3.515
  790   1HB   LYS 100          1HB       LYS 100  -5.563 -15.715  -1.263
  791   2HB   LYS 100          2HB       LYS 100  -5.527 -16.601  -2.779
  792   1HG   LYS 100          1HG       LYS 100  -2.965 -16.572  -2.646
  793   2HG   LYS 100          2HG       LYS 100  -3.146 -15.850  -1.056
  794   1HD   LYS 100          1HD       LYS 100  -4.352 -18.555  -1.786
  795   2HD   LYS 100          2HD       LYS 100  -2.731 -18.359  -1.108
  796   1HE   LYS 100          1HE       LYS 100  -3.716 -17.144   0.855
  797   2HE   LYS 100          2HE       LYS 100  -5.332 -17.458   0.206
  798   1HZ   LYS 100          1HZ       LYS 100  -3.389 -19.557   0.974
  799   2HZ   LYS 100          2HZ       LYS 100  -4.687 -19.079   1.869
  800   3HZ   LYS 100          3HZ       LYS 100  -4.922 -19.807   0.421
  801    H    GLN 101           H        GLN 101  -6.798 -13.273  -2.536
  802    HA   GLN 101           HA       GLN 101  -8.200 -13.795  -4.908
  803   1HB   GLN 101          1HB       GLN 101  -8.821 -12.620  -2.578
  804   2HB   GLN 101          2HB       GLN 101  -8.511 -11.150  -3.491
  805   1HG   GLN 101          1HG       GLN 101 -10.814 -11.566  -3.600
  806   2HG   GLN 101          2HG       GLN 101 -10.188 -11.924  -5.205
  807   1HE2  GLN 101          2HE2      GLN 101 -12.343 -14.718  -3.336
  808   2HE2  GLN 101          1HE2      GLN 101 -12.138 -13.098  -2.685
  809    H    ILE 102           H        ILE 102  -5.390 -11.760  -4.598
  810    HA   ILE 102           HA       ILE 102  -5.949 -10.744  -7.346
  811    HB   ILE 102           HB       ILE 102  -4.603  -8.929  -7.001
  812   1HG1  ILE 102          1HG1      ILE 102  -3.665  -9.244  -4.229
  813   2HG1  ILE 102          2HG1      ILE 102  -3.121 -10.520  -5.230
  814   1HG2  ILE 102          1HG2      ILE 102  -6.754  -8.774  -5.830
  815   2HG2  ILE 102          2HG2      ILE 102  -5.969  -9.331  -4.327
  816   3HG2  ILE 102          3HG2      ILE 102  -5.470  -7.803  -5.051
  817   1HD1  ILE 102          1HD1      ILE 102  -2.183  -8.942  -6.886
  818   2HD1  ILE 102          2HD1      ILE 102  -2.724  -7.588  -5.863
  819   3HD1  ILE 102          3HD1      ILE 102  -1.481  -8.725  -5.282
  820    H    GLY 103           H        GLY 103  -4.814 -13.477  -6.284
  821   1HA   GLY 103          1HA       GLY 103  -3.567 -15.068  -7.328
  822   2HA   GLY 103          2HA       GLY 103  -3.161 -13.894  -8.582
  823    H    ALA 104           H        ALA 104  -2.403 -13.327  -5.129
  824    HA   ALA 104           HA       ALA 104   0.395 -12.736  -5.817
  825   1HB   ALA 104          3HB       ALA 104  -1.224 -12.830  -3.190
  826   2HB   ALA 104          1HB       ALA 104   0.390 -12.149  -3.368
  827   3HB   ALA 104          2HB       ALA 104  -1.002 -11.377  -4.179
  828    H    LEU 105           H        LEU 105  -1.013 -14.954  -3.198
  829    HA   LEU 105           HA       LEU 105   1.662 -15.565  -2.813
  830   1HB   LEU 105          1HB       LEU 105  -0.443 -17.276  -1.664
  831   2HB   LEU 105          2HB       LEU 105   1.057 -16.746  -1.018
  832    HG   LEU 105           HG       LEU 105  -1.289 -14.878  -1.256
  833   1HD1  LEU 105          3HD1      LEU 105  -1.560 -16.782   0.422
  834   2HD1  LEU 105          1HD1      LEU 105  -0.109 -16.191   1.230
  835   3HD1  LEU 105          2HD1      LEU 105  -1.563 -15.159   1.135
  836   1HD2  LEU 105          1HD2      LEU 105   0.871 -13.724  -1.314
  837   2HD2  LEU 105          2HD2      LEU 105  -0.011 -13.399   0.192
  838   3HD2  LEU 105          3HD2      LEU 105   1.356 -14.530   0.187
  839    H    GLN 106           H        GLN 106   2.867 -17.108  -3.299
  840    HA   GLN 106           HA       GLN 106   2.090 -19.594  -4.615
  841   1HB   GLN 106          2HB       GLN 106   3.788 -17.246  -5.535
  842   2HB   GLN 106          3HB       GLN 106   4.461 -18.847  -5.733
  843   1HG   GLN 106          2HG       GLN 106   2.194 -19.509  -6.804
  844   2HG   GLN 106          3HG       GLN 106   1.816 -17.784  -6.823
  845   1HE2  GLN 106          2HE2      GLN 106   3.082 -18.852 -10.180
  846   2HE2  GLN 106          1HE2      GLN 106   1.805 -19.351  -9.081
   
  No H/Q in entry =         846
  Start of MODEL   14
    1   1H    ALA   2          2H        ALA   2  -3.307  15.634  -8.153
    2   2H    ALA   2          3H        ALA   2  -2.527  16.346  -6.908
    3   3H    ALA   2          1H        ALA   2  -1.773  16.218  -8.367
    4    HA   ALA   2           HA       ALA   2  -0.835  14.614  -6.977
    5   1HB   ALA   2          1HB       ALA   2  -2.626  14.419  -5.330
    6   2HB   ALA   2          2HB       ALA   2  -3.672  13.620  -6.526
    7   3HB   ALA   2          3HB       ALA   2  -2.193  12.819  -5.974
    8    H    GLN   3           H        GLN   3  -3.680  13.864  -9.042
    9    HA   GLN   3           HA       GLN   3  -3.846  13.128 -11.112
   10   1HB   GLN   3          1HB       GLN   3  -0.881  12.594 -11.308
   11   2HB   GLN   3          2HB       GLN   3  -2.043  12.843 -12.601
   12   1HG   GLN   3          1HG       GLN   3  -2.254  15.240 -11.907
   13   2HG   GLN   3          2HG       GLN   3  -0.898  14.981 -10.790
   14   1HE2  GLN   3          2HE2      GLN   3   0.484  16.221 -14.055
   15   2HE2  GLN   3          1HE2      GLN   3  -0.721  16.862 -12.952
   16    H    GLU   4           H        GLU   4  -3.016  11.250 -12.572
   17    HA   GLU   4           HA       GLU   4  -3.456   8.686 -11.666
   18   1HB   GLU   4          1HB       GLU   4  -2.173   9.933 -14.045
   19   2HB   GLU   4          2HB       GLU   4  -1.746   8.264 -13.742
   20   1HG   GLU   4          1HG       GLU   4  -3.524   7.979 -15.094
   21   2HG   GLU   4          2HG       GLU   4  -4.303   7.813 -13.530
   22    H    PHE   5           H        PHE   5  -0.741  10.549 -10.708
   23    HA   PHE   5           HA       PHE   5   1.417   8.844 -10.642
   24   1HB   PHE   5          1HB       PHE   5   1.420  11.162  -9.778
   25   2HB   PHE   5          2HB       PHE   5   0.478  10.648  -8.381
   26    HD1  PHE   5          2HD       PHE   5   1.502   9.100  -6.649
   27    HD2  PHE   5          1HD       PHE   5   3.806  10.752  -9.906
   28    HE1  PHE   5          2HE       PHE   5   3.596   8.408  -5.522
   29    HE2  PHE   5          1HE       PHE   5   5.880  10.083  -8.768
   30    HZ   PHE   5           HZ       PHE   5   5.794   8.870  -6.582
   31    H    VAL   6           H        VAL   6  -1.159   9.027  -8.147
   32    HA   VAL   6           HA       VAL   6  -0.368   6.564  -6.836
   33    HB   VAL   6           HB       VAL   6  -2.698   8.479  -6.713
   34   1HG1  VAL   6          2HG1      VAL   6  -3.844   6.298  -6.488
   35   2HG1  VAL   6          3HG1      VAL   6  -2.708   5.843  -5.204
   36   3HG1  VAL   6          1HG1      VAL   6  -3.828   7.202  -4.984
   37   1HG2  VAL   6          3HG2      VAL   6  -0.564   8.890  -5.423
   38   2HG2  VAL   6          1HG2      VAL   6  -1.990   8.719  -4.388
   39   3HG2  VAL   6          2HG2      VAL   6  -0.850   7.383  -4.536
   40    H    ASN   7           H        ASN   7  -3.063   7.438  -8.977
   41    HA   ASN   7           HA       ASN   7  -4.421   5.100  -8.873
   42   1HB   ASN   7          1HB       ASN   7  -4.276   6.882 -11.322
   43   2HB   ASN   7          2HB       ASN   7  -5.516   5.717 -10.979
   44   1HD2  ASN   7          2HD2      ASN   7  -5.670   9.351  -9.127
   45   2HD2  ASN   7          1HD2      ASN   7  -4.280   8.994 -10.023
   46    H    CYS   8           H        CYS   8  -1.746   5.748 -11.145
   47    HA   CYS   8           HA       CYS   8  -2.214   3.128 -12.463
   48   1HB   CYS   8          1HB       CYS   8  -0.556   5.550 -13.276
   49   2HB   CYS   8          2HB       CYS   8  -0.717   4.043 -14.202
   50    HG   CYS   8           HG       CYS   8  -2.954   6.297 -13.322
   51    H    LYS   9           H        LYS   9  -0.176   4.395  -9.980
   52    HA   LYS   9           HA       LYS   9   1.938   2.384 -10.439
   53   1HB   LYS   9          1HB       LYS   9   0.983   3.853  -7.939
   54   2HB   LYS   9          2HB       LYS   9   2.130   2.512  -7.898
   55   1HG   LYS   9          1HG       LYS   9   2.597   5.131  -9.333
   56   2HG   LYS   9          2HG       LYS   9   3.263   4.650  -7.798
   57   1HD   LYS   9          1HD       LYS   9   5.040   3.879  -8.934
   58   2HD   LYS   9          2HD       LYS   9   4.027   2.511  -9.413
   59   1HE   LYS   9          1HE       LYS   9   3.159   4.076 -11.283
   60   2HE   LYS   9          2HE       LYS   9   4.500   5.143 -10.886
   61   1HZ   LYS   9          3HZ       LYS   9   6.016   3.353 -11.369
   62   2HZ   LYS   9          1HZ       LYS   9   4.777   2.347 -11.816
   63   3HZ   LYS   9          2HZ       LYS   9   5.083   3.705 -12.680
   64    H    ILE  10           H        ILE  10  -1.265   2.605  -8.726
   65    HA   ILE  10           HA       ILE  10  -1.205  -0.117  -7.886
   66    HB   ILE  10           HB       ILE  10  -3.624   1.577  -8.548
   67   1HG1  ILE  10          1HG1      ILE  10  -2.722   1.382  -5.684
   68   2HG1  ILE  10          2HG1      ILE  10  -1.744   2.405  -6.700
   69   1HG2  ILE  10          3HG2      ILE  10  -3.227  -0.813  -6.692
   70   2HG2  ILE  10          1HG2      ILE  10  -4.642   0.253  -6.651
   71   3HG2  ILE  10          2HG2      ILE  10  -4.309  -0.691  -8.106
   72   1HD1  ILE  10          3HD1      ILE  10  -4.762   2.638  -6.493
   73   2HD1  ILE  10          1HD1      ILE  10  -3.577   3.683  -5.676
   74   3HD1  ILE  10          2HD1      ILE  10  -3.679   3.671  -7.443
   75    H    GLN  11           H        GLN  11  -2.410  -1.922  -8.831
   76    HA   GLN  11           HA       GLN  11  -3.428  -1.592 -11.539
   77   1HB   GLN  11          1HB       GLN  11  -0.812  -2.674 -11.131
   78   2HB   GLN  11          2HB       GLN  11  -1.863  -4.075 -11.169
   79   1HG   GLN  11          1HG       GLN  11  -1.709  -4.078 -13.308
   80   2HG   GLN  11          2HG       GLN  11  -2.761  -2.684 -13.378
   81   1HE2  GLN  11          2HE2      GLN  11   0.444  -0.603 -13.602
   82   2HE2  GLN  11          1HE2      GLN  11  -0.792  -0.635 -12.370
   83    HA   PRO  12           HA       PRO  12  -5.946  -4.916  -9.634
   84   1HB   PRO  12          1HB       PRO  12  -6.952  -6.075 -11.936
   85   2HB   PRO  12          2HB       PRO  12  -7.649  -4.611 -11.177
   86   1HG   PRO  12          1HG       PRO  12  -5.753  -4.752 -13.519
   87   2HG   PRO  12          2HG       PRO  12  -7.220  -3.739 -13.310
   88   1HD   PRO  12          1HD       PRO  12  -4.736  -2.763 -12.891
   89   2HD   PRO  12          2HD       PRO  12  -6.111  -2.239 -11.897
   90    H    GLY  13           H        GLY  13  -4.929  -6.767  -9.069
   91   1HA   GLY  13          1HA       GLY  13  -3.477  -8.580  -9.084
   92   2HA   GLY  13          2HA       GLY  13  -3.230  -8.309 -10.795
   93    H    LYS  14           H        LYS  14  -2.572  -5.867  -8.247
   94    HA   LYS  14           HA       LYS  14   0.244  -6.571  -8.017
   95   1HB   LYS  14          1HB       LYS  14  -0.345  -4.628  -9.823
   96   2HB   LYS  14          2HB       LYS  14  -0.244  -3.622  -8.395
   97   1HG   LYS  14          1HG       LYS  14   2.062  -4.342  -8.096
   98   2HG   LYS  14          2HG       LYS  14   1.922  -5.560  -9.385
   99   1HD   LYS  14          1HD       LYS  14   1.850  -3.856 -11.072
  100   2HD   LYS  14          2HD       LYS  14   1.454  -2.600  -9.900
  101   1HE   LYS  14          1HE       LYS  14   3.751  -2.355 -10.658
  102   2HE   LYS  14          2HE       LYS  14   3.678  -2.670  -8.923
  103   1HZ   LYS  14          1HZ       LYS  14   4.318  -4.754 -10.948
  104   2HZ   LYS  14          2HZ       LYS  14   5.420  -3.917 -10.092
  105   3HZ   LYS  14          3HZ       LYS  14   4.406  -4.943  -9.342
  106    H    VAL  15           H        VAL  15   1.206  -5.501  -6.037
  107    HA   VAL  15           HA       VAL  15  -0.863  -4.650  -4.100
  108    HB   VAL  15           HB       VAL  15   1.775  -6.117  -3.677
  109   1HG1  VAL  15          1HG1      VAL  15  -0.517  -5.247  -1.925
  110   2HG1  VAL  15          2HG1      VAL  15   0.659  -6.462  -1.363
  111   3HG1  VAL  15          3HG1      VAL  15   1.163  -4.802  -1.730
  112   1HG2  VAL  15          2HG2      VAL  15  -1.037  -7.260  -3.653
  113   2HG2  VAL  15          3HG2      VAL  15   0.275  -7.686  -4.770
  114   3HG2  VAL  15          1HG2      VAL  15   0.427  -8.092  -3.069
  115    H    VAL  16           H        VAL  16  -0.650  -2.410  -3.874
  116    HA   VAL  16           HA       VAL  16   2.078  -1.278  -4.295
  117    HB   VAL  16           HB       VAL  16  -0.585  -0.314  -5.394
  118   1HG1  VAL  16          2HG1      VAL  16   1.014   1.537  -4.853
  119   2HG1  VAL  16          3HG1      VAL  16   2.235   0.728  -5.866
  120   3HG1  VAL  16          1HG1      VAL  16   0.723   1.346  -6.577
  121   1HG2  VAL  16          1HG2      VAL  16   1.787  -1.839  -6.555
  122   2HG2  VAL  16          2HG2      VAL  16   0.056  -2.249  -6.620
  123   3HG2  VAL  16          3HG2      VAL  16   0.702  -0.922  -7.584
  124    H    VAL  17           H        VAL  17   2.739   0.174  -2.844
  125    HA   VAL  17           HA       VAL  17   0.775   0.884  -0.740
  126    HB   VAL  17           HB       VAL  17   3.592  -0.066  -0.239
  127   1HG1  VAL  17          2HG1      VAL  17   1.182   0.356   1.586
  128   2HG1  VAL  17          3HG1      VAL  17   2.755  -0.305   2.103
  129   3HG1  VAL  17          1HG1      VAL  17   2.619   1.364   1.532
  130   1HG2  VAL  17          2HG2      VAL  17   1.031  -1.697  -0.083
  131   2HG2  VAL  17          3HG2      VAL  17   2.400  -1.961  -1.180
  132   3HG2  VAL  17          1HG2      VAL  17   2.637  -2.171   0.540
  133    H    PHE  18           H        PHE  18   0.652   3.004  -0.582
  134    HA   PHE  18           HA       PHE  18   2.854   4.684  -1.588
  135   1HB   PHE  18          1HB       PHE  18   0.127   5.421  -0.408
  136   2HB   PHE  18          2HB       PHE  18   1.239   6.572  -1.150
  137    HD1  PHE  18          2HD       PHE  18   2.031   6.214  -3.530
  138    HD2  PHE  18          1HD       PHE  18  -1.307   4.066  -1.822
  139    HE1  PHE  18          2HE       PHE  18   1.318   5.491  -5.800
  140    HE2  PHE  18          1HE       PHE  18  -1.994   3.352  -4.086
  141    HZ   PHE  18           HZ       PHE  18  -0.690   4.102  -6.072
  142    H    ILE  19           H        ILE  19   4.471   5.274  -0.305
  143    HA   ILE  19           HA       ILE  19   4.164   5.312   2.647
  144    HB   ILE  19           HB       ILE  19   6.397   4.264   2.771
  145   1HG1  ILE  19          1HG1      ILE  19   6.503   3.119   0.050
  146   2HG1  ILE  19          2HG1      ILE  19   6.725   4.851   0.055
  147   1HG2  ILE  19          3HG2      ILE  19   4.376   2.854   2.932
  148   2HG2  ILE  19          1HG2      ILE  19   4.559   2.452   1.207
  149   3HG2  ILE  19          2HG2      ILE  19   5.812   1.984   2.375
  150   1HD1  ILE  19          1HD1      ILE  19   8.328   2.953   1.780
  151   2HD1  ILE  19          2HD1      ILE  19   8.862   3.722   0.271
  152   3HD1  ILE  19          3HD1      ILE  19   8.525   4.717   1.695
  153    H    LYS  20           H        LYS  20   6.181   6.344   3.620
  154    HA   LYS  20           HA       LYS  20   7.641   8.119   1.792
  155   1HB   LYS  20          1HB       LYS  20   7.818   9.828   3.645
  156   2HB   LYS  20          2HB       LYS  20   6.270   9.762   2.777
  157   1HG   LYS  20          1HG       LYS  20   5.525   8.250   4.820
  158   2HG   LYS  20          2HG       LYS  20   6.941   8.946   5.610
  159   1HD   LYS  20          1HD       LYS  20   4.793  10.666   4.319
  160   2HD   LYS  20          2HD       LYS  20   4.568  10.003   5.930
  161   1HE   LYS  20          1HE       LYS  20   6.987  11.686   5.245
  162   2HE   LYS  20          2HE       LYS  20   5.449  12.398   5.713
  163   1HZ   LYS  20          1HZ       LYS  20   6.954  10.505   7.438
  164   2HZ   LYS  20          2HZ       LYS  20   6.875  12.130   7.612
  165   3HZ   LYS  20          3HZ       LYS  20   5.525  11.228   7.801
  166    HA   PRO  21           HA       PRO  21  10.804   5.866   4.074
  167   1HB   PRO  21          1HB       PRO  21  13.062   7.075   3.169
  168   2HB   PRO  21          2HB       PRO  21  11.988   6.169   2.067
  169   1HG   PRO  21          1HG       PRO  21  11.958   9.173   2.602
  170   2HG   PRO  21          2HG       PRO  21  12.120   8.348   1.018
  171   1HD   PRO  21          1HD       PRO  21   9.708   9.173   1.922
  172   2HD   PRO  21          2HD       PRO  21   9.876   7.607   1.070
  173    H    THR  22           H        THR  22   9.328   8.022   5.424
  174    HA   THR  22           HA       THR  22  11.155   8.812   7.470
  175    HB   THR  22           HB       THR  22  11.761  10.472   6.100
  176    HG1  THR  22           HG1      THR  22  10.217  11.197   8.361
  177   1HG2  THR  22          2HG2      THR  22   8.841  11.011   6.086
  178   2HG2  THR  22          3HG2      THR  22  10.127  12.167   5.563
  179   3HG2  THR  22          1HG2      THR  22   9.932  10.595   4.715
  180    H    CYS  23           H        CSN  23   8.873   7.033   6.985
  181    HA   CYS  23           HA       CSN  23   7.198   7.901   9.267
  182   1HB   CYS  23          2HB       CSN  23   5.923   7.867   7.123
  183   2HB   CYS  23          3HB       CSN  23   6.485   6.248   6.876
  184    HA   PRO  24           HA       PRO  24   9.156   4.051  10.674
  185   1HB   PRO  24          1HB       PRO  24   7.968   3.935  13.191
  186   2HB   PRO  24          2HB       PRO  24   9.437   4.872  12.805
  187   1HG   PRO  24          1HG       PRO  24   6.617   5.843  13.091
  188   2HG   PRO  24          2HG       PRO  24   8.135   6.656  13.556
  189   1HD   PRO  24          1HD       PRO  24   6.707   7.219  11.255
  190   2HD   PRO  24          2HD       PRO  24   8.473   7.474  11.412
  191    H    TYR  25           H        TYR  25   5.728   4.819  10.346
  192    HA   TYR  25           HA       TYR  25   4.880   2.047  10.849
  193   1HB   TYR  25          1HB       TYR  25   3.323   4.505   9.938
  194   2HB   TYR  25          2HB       TYR  25   2.645   2.907  10.121
  195    HD1  TYR  25          1HD       TYR  25   4.644   5.414  12.108
  196    HD2  TYR  25          2HD       TYR  25   1.572   2.387  12.171
  197    HE1  TYR  25          1HE       TYR  25   4.512   5.616  14.545
  198    HE2  TYR  25          2HE       TYR  25   1.323   2.686  14.604
  199    HH   TYR  25           HH       TYR  25   3.440   4.971  16.438
  200    H    CYS  26           H        CYS  26   5.747   4.186   8.120
  201    HA   CYS  26           HA       CYS  26   4.937   2.320   6.066
  202   1HB   CYS  26          1HB       CYS  26   7.130   4.457   6.123
  203   2HB   CYS  26          2HB       CYS  26   6.733   3.464   4.732
  204    HG   CYS  26           HG       CYS  26   4.802   5.536   6.442
  205    H    ARG  27           H        ARG  27   8.062   2.846   7.809
  206    HA   ARG  27           HA       ARG  27   9.445   0.654   6.738
  207   1HB   ARG  27          1HB       ARG  27  10.483   2.328   8.269
  208   2HB   ARG  27          2HB       ARG  27   9.642   1.551   9.624
  209   1HG   ARG  27          1HG       ARG  27  10.712  -0.633   8.842
  210   2HG   ARG  27          2HG       ARG  27  11.737   0.313   7.779
  211   1HD   ARG  27          1HD       ARG  27  11.638   0.828  10.776
  212   2HD   ARG  27          2HD       ARG  27  12.564  -0.516  10.099
  213    HE   ARG  27           HE       ARG  27  13.223   1.865   8.688
  214   1HH1  ARG  27          2HH2      ARG  27  13.838   0.149  11.756
  215   2HH1  ARG  27          1HH2      ARG  27  15.415   0.817  11.946
  216   1HH2  ARG  27          2HH1      ARG  27  15.372   2.703   8.966
  217   2HH2  ARG  27          1HH1      ARG  27  16.230   2.345  10.433
  218    H    ARG  28           H        ARG  28   7.176   0.558   9.573
  219    HA   ARG  28           HA       ARG  28   7.415  -2.229   9.942
  220   1HB   ARG  28          1HB       ARG  28   6.031  -0.766  11.458
  221   2HB   ARG  28          2HB       ARG  28   4.807  -0.643  10.223
  222   1HG   ARG  28          1HG       ARG  28   4.043  -2.430  11.667
  223   2HG   ARG  28          2HG       ARG  28   4.575  -3.168  10.196
  224   1HD   ARG  28          1HD       ARG  28   6.722  -3.817  11.178
  225   2HD   ARG  28          2HD       ARG  28   6.356  -2.937  12.668
  226    HE   ARG  28           HE       ARG  28   4.369  -4.549  12.862
  227   1HH1  ARG  28          2HH2      ARG  28   7.572  -5.555  11.681
  228   2HH1  ARG  28          1HH2      ARG  28   7.248  -7.235  11.853
  229   1HH2  ARG  28          2HH1      ARG  28   3.991  -6.629  13.208
  230   2HH2  ARG  28          1HH1      ARG  28   5.116  -7.904  12.825
  231    H    ALA  29           H        ALA  29   5.003  -0.499   8.034
  232    HA   ALA  29           HA       ALA  29   3.635  -2.709   7.038
  233   1HB   ALA  29          3HB       ALA  29   4.088  -0.048   5.647
  234   2HB   ALA  29          1HB       ALA  29   2.944  -1.287   5.092
  235   3HB   ALA  29          2HB       ALA  29   2.719  -0.555   6.687
  236    H    GLN  30           H        GLN  30   6.628  -1.232   5.486
  237    HA   GLN  30           HA       GLN  30   6.801  -3.013   3.413
  238   1HB   GLN  30          1HB       GLN  30   8.550  -1.117   4.862
  239   2HB   GLN  30          2HB       GLN  30   9.442  -2.568   4.428
  240   1HG   GLN  30          1HG       GLN  30   9.636  -1.950   2.327
  241   2HG   GLN  30          2HG       GLN  30   7.889  -1.909   2.195
  242   1HE2  GLN  30          2HE2      GLN  30   9.689   1.489   1.533
  243   2HE2  GLN  30          1HE2      GLN  30  10.298  -0.112   1.250
  244    H    GLU  31           H        GLU  31   7.856  -3.589   6.787
  245    HA   GLU  31           HA       GLU  31   9.098  -6.107   6.054
  246   1HB   GLU  31          1HB       GLU  31   8.859  -4.312   8.379
  247   2HB   GLU  31          2HB       GLU  31   8.400  -5.917   8.876
  248   1HG   GLU  31          1HG       GLU  31  10.989  -5.197   7.442
  249   2HG   GLU  31          2HG       GLU  31  10.826  -5.347   9.195
  250    H    ILE  32           H        ILE  32   6.137  -5.127   7.704
  251    HA   ILE  32           HA       ILE  32   4.861  -7.554   8.154
  252    HB   ILE  32           HB       ILE  32   4.107  -4.721   7.628
  253   1HG1  ILE  32          1HG1      ILE  32   3.633  -6.774   9.828
  254   2HG1  ILE  32          2HG1      ILE  32   4.681  -5.369   9.846
  255   1HG2  ILE  32          1HG2      ILE  32   2.366  -5.734   6.298
  256   2HG2  ILE  32          2HG2      ILE  32   1.902  -6.759   7.692
  257   3HG2  ILE  32          3HG2      ILE  32   1.755  -4.983   7.738
  258   1HD1  ILE  32          1HD1      ILE  32   2.512  -3.945   9.695
  259   2HD1  ILE  32          2HD1      ILE  32   1.635  -5.461   9.990
  260   3HD1  ILE  32          3HD1      ILE  32   2.757  -4.848  11.203
  261    H    LEU  33           H        LEU  33   4.746  -5.578   5.139
  262    HA   LEU  33           HA       LEU  33   3.097  -7.616   3.968
  263   1HB   LEU  33          1HB       LEU  33   4.192  -4.987   2.997
  264   2HB   LEU  33          2HB       LEU  33   3.800  -6.175   1.780
  265    HG   LEU  33           HG       LEU  33   1.796  -5.169   3.854
  266   1HD1  LEU  33          3HD1      LEU  33   2.117  -4.493   0.932
  267   2HD1  LEU  33          1HD1      LEU  33   0.764  -4.028   1.964
  268   3HD1  LEU  33          2HD1      LEU  33   2.388  -3.424   2.340
  269   1HD2  LEU  33          1HD2      LEU  33   1.473  -6.955   1.380
  270   2HD2  LEU  33          2HD2      LEU  33   1.200  -7.443   3.060
  271   3HD2  LEU  33          3HD2      LEU  33   0.132  -6.257   2.310
  272    H    SER  34           H        SER  34   6.628  -6.614   3.645
  273    HA   SER  34           HA       SER  34   6.805  -8.446   1.367
  274   1HB   SER  34          1HB       SER  34   7.976  -6.132   1.763
  275   2HB   SER  34          2HB       SER  34   9.220  -7.130   2.543
  276    HG   SER  34           HG       SER  34   9.604  -8.124   0.645
  277    H    GLN  35           H        GLN  35   7.023  -9.006   4.746
  278    HA   GLN  35           HA       GLN  35   8.825 -11.314   4.587
  279   1HB   GLN  35          1HB       GLN  35   6.703 -10.363   6.553
  280   2HB   GLN  35          2HB       GLN  35   7.566 -11.877   6.778
  281   1HG   GLN  35          1HG       GLN  35   9.115  -9.290   6.449
  282   2HG   GLN  35          2HG       GLN  35   8.381  -9.725   7.986
  283   1HE2  GLN  35          2HE2      GLN  35  11.519 -11.186   8.695
  284   2HE2  GLN  35          1HE2      GLN  35  10.606  -9.660   8.789
  285    H    LEU  36           H        LEU  36   5.573 -10.685   3.418
  286    HA   LEU  36           HA       LEU  36   4.642 -13.415   3.811
  287   1HB   LEU  36          1HB       LEU  36   3.581 -11.120   2.110
  288   2HB   LEU  36          2HB       LEU  36   2.729 -12.612   2.436
  289    HG   LEU  36           HG       LEU  36   3.544 -10.618   4.593
  290   1HD1  LEU  36          1HD1      LEU  36   1.896  -9.681   3.028
  291   2HD1  LEU  36          2HD1      LEU  36   0.806 -11.054   3.348
  292   3HD1  LEU  36          3HD1      LEU  36   1.245  -9.912   4.652
  293   1HD2  LEU  36          3HD2      LEU  36   1.699 -13.046   4.705
  294   2HD2  LEU  36          1HD2      LEU  36   3.275 -12.872   5.515
  295   3HD2  LEU  36          2HD2      LEU  36   1.921 -11.856   6.007
  296    HA   PRO  37           HA       PRO  37   6.479 -14.822  -0.007
  297   1HB   PRO  37          1HB       PRO  37   5.134 -17.122  -0.510
  298   2HB   PRO  37          2HB       PRO  37   6.085 -16.913   0.985
  299   1HG   PRO  37          1HG       PRO  37   3.097 -16.499   0.633
  300   2HG   PRO  37          2HG       PRO  37   3.932 -17.495   1.868
  301   1HD   PRO  37          1HD       PRO  37   3.135 -14.904   2.329
  302   2HD   PRO  37          2HD       PRO  37   4.587 -15.604   3.085
  303    H    ILE  38           H        ILE  38   4.866 -12.623  -0.420
  304    HA   ILE  38           HA       ILE  38   2.679 -13.006  -2.319
  305    HB   ILE  38           HB       ILE  38   4.403 -10.669  -1.265
  306   1HG1  ILE  38          1HG1      ILE  38   1.370 -11.117  -1.318
  307   2HG1  ILE  38          2HG1      ILE  38   2.427 -11.636  -0.010
  308   1HG2  ILE  38          2HG2      ILE  38   2.344 -10.401  -3.543
  309   2HG2  ILE  38          3HG2      ILE  38   3.024  -9.048  -2.646
  310   3HG2  ILE  38          1HG2      ILE  38   4.076 -10.018  -3.626
  311   1HD1  ILE  38          3HD1      ILE  38   3.176  -9.269   0.313
  312   2HD1  ILE  38          1HD1      ILE  38   1.844  -8.778  -0.779
  313   3HD1  ILE  38          2HD1      ILE  38   1.507  -9.607   0.737
  314    H    LYS  39           H        LYS  39   2.881 -12.969  -4.610
  315    HA   LYS  39           HA       LYS  39   5.123 -13.893  -5.686
  316   1HB   LYS  39          1HB       LYS  39   2.728 -12.606  -6.814
  317   2HB   LYS  39          2HB       LYS  39   4.142 -12.642  -7.866
  318   1HG   LYS  39          1HG       LYS  39   3.281 -15.176  -6.430
  319   2HG   LYS  39          2HG       LYS  39   2.387 -14.644  -7.836
  320   1HD   LYS  39          1HD       LYS  39   5.347 -15.318  -7.718
  321   2HD   LYS  39          2HD       LYS  39   4.072 -16.318  -8.411
  322   1HE   LYS  39          1HE       LYS  39   3.629 -14.586 -10.125
  323   2HE   LYS  39          2HE       LYS  39   4.919 -13.579  -9.452
  324   1HZ   LYS  39          3HZ       LYS  39   6.469 -15.405  -9.972
  325   2HZ   LYS  39          1HZ       LYS  39   5.223 -16.199 -10.751
  326   3HZ   LYS  39          2HZ       LYS  39   5.749 -14.751 -11.290
  327    H    GLN  40           H        GLN  40   7.135 -12.979  -6.129
  328    HA   GLN  40           HA       GLN  40   7.523 -10.279  -5.230
  329   1HB   GLN  40          1HB       GLN  40   9.250 -12.031  -5.037
  330   2HB   GLN  40          2HB       GLN  40   9.525 -11.969  -6.789
  331   1HG   GLN  40          1HG       GLN  40  10.464  -9.808  -6.679
  332   2HG   GLN  40          2HG       GLN  40   9.634  -9.395  -5.182
  333   1HE2  GLN  40          2HE2      GLN  40  13.254 -11.335  -5.016
  334   2HE2  GLN  40          1HE2      GLN  40  12.388 -11.139  -6.538
  335    H    GLY  41           H        GLY  41   8.002  -8.349  -6.432
  336   1HA   GLY  41          1HA       GLY  41   8.058  -7.045  -8.382
  337   2HA   GLY  41          2HA       GLY  41   7.403  -8.379  -9.338
  338    H    LEU  42           H        LEU  42   5.195  -8.985  -7.136
  339    HA   LEU  42           HA       LEU  42   3.327  -7.070  -8.173
  340   1HB   LEU  42          1HB       LEU  42   3.037  -8.923  -5.795
  341   2HB   LEU  42          2HB       LEU  42   1.819  -7.942  -6.541
  342    HG   LEU  42           HG       LEU  42   3.043 -10.462  -7.612
  343   1HD1  LEU  42          1HD1      LEU  42   1.056 -10.394  -6.064
  344   2HD1  LEU  42          2HD1      LEU  42   0.180  -9.455  -7.291
  345   3HD1  LEU  42          3HD1      LEU  42   0.693 -11.111  -7.655
  346   1HD2  LEU  42          1HD2      LEU  42   1.471  -8.424  -9.216
  347   2HD2  LEU  42          2HD2      LEU  42   3.080  -9.104  -9.575
  348   3HD2  LEU  42          3HD2      LEU  42   1.648 -10.137  -9.665
  349    H    LEU  43           H        LEU  43   5.445  -7.212  -5.259
  350    HA   LEU  43           HA       LEU  43   3.778  -5.205  -3.941
  351   1HB   LEU  43          1HB       LEU  43   5.460  -7.153  -2.899
  352   2HB   LEU  43          2HB       LEU  43   6.431  -5.710  -2.765
  353    HG   LEU  43           HG       LEU  43   5.401  -5.724  -0.737
  354   1HD1  LEU  43          1HD1      LEU  43   4.817  -3.529  -1.796
  355   2HD1  LEU  43          2HD1      LEU  43   3.211  -4.168  -2.171
  356   3HD1  LEU  43          3HD1      LEU  43   3.749  -4.022  -0.490
  357   1HD2  LEU  43          3HD2      LEU  43   2.949  -6.864  -2.051
  358   2HD2  LEU  43          1HD2      LEU  43   4.065  -7.608  -0.905
  359   3HD2  LEU  43          2HD2      LEU  43   2.973  -6.327  -0.352
  360    H    GLU  44           H        GLU  44   4.013  -3.056  -4.505
  361    HA   GLU  44           HA       GLU  44   6.784  -2.088  -4.942
  362   1HB   GLU  44          1HB       GLU  44   5.662  -2.225  -7.156
  363   2HB   GLU  44          2HB       GLU  44   4.500  -0.993  -6.597
  364   1HG   GLU  44          1HG       GLU  44   6.365   0.532  -6.060
  365   2HG   GLU  44          2HG       GLU  44   7.536  -0.712  -6.406
  366    H    PHE  45           H        PHE  45   7.264  -0.988  -3.236
  367    HA   PHE  45           HA       PHE  45   5.297   0.580  -1.726
  368   1HB   PHE  45          1HB       PHE  45   8.283   0.127  -1.324
  369   2HB   PHE  45          2HB       PHE  45   7.208   0.955  -0.207
  370    HD1  PHE  45          2HD       PHE  45   5.380  -0.304   0.971
  371    HD2  PHE  45          1HD       PHE  45   8.399  -2.312  -1.372
  372    HE1  PHE  45          2HE       PHE  45   4.726  -2.479   1.981
  373    HE2  PHE  45          1HE       PHE  45   7.793  -4.458  -0.310
  374    HZ   PHE  45           HZ       PHE  45   5.956  -4.555   1.359
  375    H    VAL  46           H        VAL  46   4.752   2.516  -2.667
  376    HA   VAL  46           HA       VAL  46   6.565   3.832  -4.578
  377    HB   VAL  46           HB       VAL  46   3.633   4.292  -3.880
  378   1HG1  VAL  46          3HG1      VAL  46   4.836   6.279  -4.905
  379   2HG1  VAL  46          1HG1      VAL  46   5.199   5.262  -6.313
  380   3HG1  VAL  46          2HG1      VAL  46   3.524   5.652  -5.889
  381   1HG2  VAL  46          3HG2      VAL  46   3.967   2.059  -4.924
  382   2HG2  VAL  46          1HG2      VAL  46   3.075   3.169  -5.950
  383   3HG2  VAL  46          2HG2      VAL  46   4.792   2.830  -6.293
  384    H    ASP  47           H        ASP  47   7.788   5.413  -3.781
  385    HA   ASP  47           HA       ASP  47   7.459   6.682  -1.193
  386   1HB   ASP  47          1HB       ASP  47   9.617   6.143  -2.362
  387   2HB   ASP  47          2HB       ASP  47   9.243   7.382  -3.543
  388    H    ILE  48           H        ILE  48   5.802   8.101  -0.908
  389    HA   ILE  48           HA       ILE  48   4.662   9.716  -3.042
  390    HB   ILE  48           HB       ILE  48   3.349  10.809  -1.339
  391   1HG1  ILE  48          1HG1      ILE  48   4.631   9.202   0.882
  392   2HG1  ILE  48          2HG1      ILE  48   5.115  10.837   0.498
  393   1HG2  ILE  48          1HG2      ILE  48   2.721   8.536  -2.245
  394   2HG2  ILE  48          2HG2      ILE  48   3.424   7.802  -0.795
  395   3HG2  ILE  48          3HG2      ILE  48   2.015   8.879  -0.659
  396   1HD1  ILE  48          2HD1      ILE  48   2.706  11.531   0.805
  397   2HD1  ILE  48          3HD1      ILE  48   2.368   9.899   1.392
  398   3HD1  ILE  48          1HD1      ILE  48   3.508  10.929   2.275
  399    H    THR  49           H        THR  49   7.654  10.051  -1.535
  400    HA   THR  49           HA       THR  49   7.629  12.840  -2.366
  401    HB   THR  49           HB       THR  49   7.118  12.752   0.052
  402    HG1  THR  49           HG1      THR  49   9.193  14.236   0.354
  403   1HG2  THR  49          3HG2      THR  49   8.475  10.870   0.785
  404   2HG2  THR  49          1HG2      THR  49   9.961  11.784   0.472
  405   3HG2  THR  49          2HG2      THR  49   8.809  12.333   1.716
  406    H    ALA  50           H        ALA  50   8.456  10.495  -3.682
  407    HA   ALA  50           HA       ALA  50  11.363  10.794  -3.984
  408   1HB   ALA  50          2HB       ALA  50   9.206   9.400  -5.627
  409   2HB   ALA  50          3HB       ALA  50  10.905   9.537  -6.152
  410   3HB   ALA  50          1HB       ALA  50  10.503   8.685  -4.674
  411    H    THR  51           H        THR  51  10.640  13.199  -3.739
  412    HA   THR  51           HA       THR  51  10.335  15.292  -4.486
  413    HB   THR  51           HB       THR  51  11.788  15.917  -6.374
  414    HG1  THR  51           HG1      THR  51  11.425  13.857  -7.502
  415   1HG2  THR  51          3HG2      THR  51  12.633  15.437  -4.009
  416   2HG2  THR  51          1HG2      THR  51  13.128  13.840  -4.581
  417   3HG2  THR  51          2HG2      THR  51  13.843  15.301  -5.299
  418    H    ASN  52           H        ASN  52   7.956  14.757  -4.604
  419    HA   ASN  52           HA       ASN  52   7.095  15.870  -7.121
  420   1HB   ASN  52          1HB       ASN  52   6.958  13.241  -7.276
  421   2HB   ASN  52          2HB       ASN  52   5.463  13.442  -6.382
  422   1HD2  ASN  52          2HD2      ASN  52   5.886  14.690 -10.289
  423   2HD2  ASN  52          1HD2      ASN  52   7.267  14.638  -9.237
  424    H    HIS  53           H        HIS  53   4.877  14.279  -4.741
  425    HA   HIS  53           HA       HIS  53   4.195  16.914  -3.672
  426   1HB   HIS  53          1HB       HIS  53   3.389  16.522  -6.236
  427   2HB   HIS  53          2HB       HIS  53   2.046  15.737  -5.449
  428    HD1  HIS  53          1HD       HIS  53   3.787  18.923  -4.061
  429    HD2  HIS  53          2HD       HIS  53   0.387  17.743  -6.255
  430    HE1  HIS  53          1HE       HIS  53   2.297  20.931  -4.165
  431    H    THR  54           H        THR  54   4.787  15.007  -1.996
  432    HA   THR  54           HA       THR  54   3.031  13.107  -1.211
  433    HB   THR  54           HB       THR  54   4.695  12.962   0.184
  434    HG1  THR  54           HG1      THR  54   3.249  13.043   1.792
  435   1HG2  THR  54          1HG2      THR  54   5.928  14.843  -0.499
  436   2HG2  THR  54          2HG2      THR  54   4.909  15.891   0.549
  437   3HG2  THR  54          3HG2      THR  54   5.968  14.644   1.270
  438    H    ASN  55           H        ASN  55   2.879  16.296   0.211
  439    HA   ASN  55           HA       ASN  55   0.573  16.048   1.699
  440   1HB   ASN  55          1HB       ASN  55   1.505  18.503   0.190
  441   2HB   ASN  55          2HB       ASN  55  -0.065  18.509   0.973
  442   1HD2  ASN  55          2HD2      ASN  55   2.003  19.934   3.556
  443   2HD2  ASN  55          1HD2      ASN  55   0.971  20.314   2.197
  444    H    GLU  56           H        GLU  56   0.384  17.189  -1.777
  445    HA   GLU  56           HA       GLU  56  -2.381  17.064  -1.798
  446   1HB   GLU  56          1HB       GLU  56  -0.287  17.956  -3.385
  447   2HB   GLU  56          2HB       GLU  56  -0.889  16.612  -4.350
  448   1HG   GLU  56          1HG       GLU  56  -3.114  18.200  -3.331
  449   2HG   GLU  56          2HG       GLU  56  -1.898  19.262  -4.024
  450    H    ILE  57           H        ILE  57   0.052  14.575  -2.695
  451    HA   ILE  57           HA       ILE  57  -1.799  12.647  -3.722
  452    HB   ILE  57           HB       ILE  57   1.000  12.581  -2.540
  453   1HG1  ILE  57          1HG1      ILE  57  -0.019  11.504  -5.213
  454   2HG1  ILE  57          2HG1      ILE  57   0.359  13.212  -4.981
  455   1HG2  ILE  57          2HG2      ILE  57  -0.703  10.139  -3.163
  456   2HG2  ILE  57          3HG2      ILE  57   1.063  10.087  -3.066
  457   3HG2  ILE  57          1HG2      ILE  57   0.121  10.518  -1.643
  458   1HD1  ILE  57          2HD1      ILE  57   2.683  12.648  -4.328
  459   2HD1  ILE  57          3HD1      ILE  57   2.354  10.936  -4.651
  460   3HD1  ILE  57          1HD1      ILE  57   2.276  12.116  -5.967
  461    H    GLN  58           H        GLN  58  -0.756  13.475  -0.443
  462    HA   GLN  58           HA       GLN  58  -1.767  11.161   0.890
  463   1HB   GLN  58          1HB       GLN  58  -0.806  13.959   1.718
  464   2HB   GLN  58          2HB       GLN  58  -1.693  12.983   2.849
  465   1HG   GLN  58          1HG       GLN  58   0.259  11.166   2.079
  466   2HG   GLN  58          2HG       GLN  58   1.073  12.700   1.878
  467   1HE2  GLN  58          2HE2      GLN  58  -0.141  11.920   5.759
  468   2HE2  GLN  58          1HE2      GLN  58  -1.108  11.249   4.473
  469    H    ASP  59           H        ASP  59  -3.044  14.430   0.213
  470    HA   ASP  59           HA       ASP  59  -5.547  14.134   1.656
  471   1HB   ASP  59          1HB       ASP  59  -4.027  16.249   0.633
  472   2HB   ASP  59          2HB       ASP  59  -5.397  16.229  -0.432
  473    H    TYR  60           H        TYR  60  -4.543  14.099  -1.776
  474    HA   TYR  60           HA       TYR  60  -7.036  13.593  -3.021
  475   1HB   TYR  60          1HB       TYR  60  -5.062  14.119  -4.306
  476   2HB   TYR  60          2HB       TYR  60  -4.214  12.697  -3.698
  477    HD1  TYR  60          1HD       TYR  60  -7.365  13.623  -5.586
  478    HD2  TYR  60          2HD       TYR  60  -4.220  10.725  -4.938
  479    HE1  TYR  60          1HE       TYR  60  -8.314  12.197  -7.363
  480    HE2  TYR  60          2HE       TYR  60  -5.162   9.308  -6.741
  481    HH   TYR  60           HH       TYR  60  -8.212  10.098  -8.414
  482    H    LEU  61           H        LEU  61  -4.613  11.250  -1.773
  483    HA   LEU  61           HA       LEU  61  -6.186   8.904  -2.095
  484   1HB   LEU  61          1HB       LEU  61  -4.004   9.731  -0.194
  485   2HB   LEU  61          2HB       LEU  61  -4.816   8.171  -0.011
  486    HG   LEU  61           HG       LEU  61  -3.378   8.946  -2.571
  487   1HD1  LEU  61          1HD1      LEU  61  -1.776   9.017  -0.685
  488   2HD1  LEU  61          2HD1      LEU  61  -2.280   7.383  -0.188
  489   3HD1  LEU  61          3HD1      LEU  61  -1.473   7.640  -1.751
  490   1HD2  LEU  61          3HD2      LEU  61  -4.259   6.299  -1.300
  491   2HD2  LEU  61          1HD2      LEU  61  -4.987   7.059  -2.721
  492   3HD2  LEU  61          2HD2      LEU  61  -3.325   6.443  -2.803
  493    H    GLN  62           H        GLN  62  -6.415  11.505   0.410
  494    HA   GLN  62           HA       GLN  62  -8.077   9.898   2.139
  495   1HB   GLN  62          1HB       GLN  62  -6.861  12.172   2.677
  496   2HB   GLN  62          2HB       GLN  62  -8.329  12.904   2.018
  497   1HG   GLN  62          1HG       GLN  62  -9.669  11.346   3.560
  498   2HG   GLN  62          2HG       GLN  62  -8.160  10.939   4.344
  499   1HE2  GLN  62          2HE2      GLN  62 -10.172  13.750   5.987
  500   2HE2  GLN  62          1HE2      GLN  62 -10.529  12.143   5.454
  501    H    GLN  63           H        GLN  63  -8.737  12.039  -0.596
  502    HA   GLN  63           HA       GLN  63 -11.609  11.739  -0.281
  503   1HB   GLN  63          1HB       GLN  63 -10.200  13.434  -1.789
  504   2HB   GLN  63          2HB       GLN  63 -10.407  12.182  -3.013
  505   1HG   GLN  63          1HG       GLN  63 -12.908  12.183  -2.401
  506   2HG   GLN  63          2HG       GLN  63 -12.593  13.582  -1.390
  507   1HE2  GLN  63          2HE2      GLN  63 -13.267  15.666  -4.173
  508   2HE2  GLN  63          1HE2      GLN  63 -13.295  15.441  -2.443
  509    H    LEU  64           H        LEU  64  -9.163  10.153  -2.267
  510    HA   LEU  64           HA       LEU  64 -10.990   8.410  -3.599
  511   1HB   LEU  64          1HB       LEU  64  -9.062   9.016  -4.780
  512   2HB   LEU  64          2HB       LEU  64  -8.020   8.712  -3.406
  513    HG   LEU  64           HG       LEU  64  -8.344   6.224  -3.731
  514   1HD1  LEU  64          1HD1      LEU  64 -10.416   6.453  -5.187
  515   2HD1  LEU  64          2HD1      LEU  64  -9.399   7.126  -6.459
  516   3HD1  LEU  64          3HD1      LEU  64  -9.141   5.454  -5.903
  517   1HD2  LEU  64          3HD2      LEU  64  -6.324   7.478  -4.488
  518   2HD2  LEU  64          1HD2      LEU  64  -6.715   6.104  -5.542
  519   3HD2  LEU  64          2HD2      LEU  64  -7.109   7.758  -6.050
  520    H    THR  65           H        THR  65  -9.210   7.899  -0.536
  521    HA   THR  65           HA       THR  65 -10.475   5.213  -0.359
  522    HB   THR  65           HB       THR  65  -8.597   4.219   0.464
  523    HG1  THR  65           HG1      THR  65  -7.833   5.450   1.956
  524   1HG2  THR  65          2HG2      THR  65  -8.276   4.677  -1.923
  525   2HG2  THR  65          3HG2      THR  65  -7.362   6.160  -1.518
  526   3HG2  THR  65          1HG2      THR  65  -6.740   4.576  -1.040
  527    H    GLY  66           H        GLY  66 -10.474   8.252   1.149
  528   1HA   GLY  66          1HA       GLY  66 -11.714   8.820   3.024
  529   2HA   GLY  66          2HA       GLY  66 -11.734   7.142   3.542
  530    H    ALA  67           H        ALA  67  -8.590   7.473   2.813
  531    HA   ALA  67           HA       ALA  67  -7.894   8.283   5.599
  532   1HB   ALA  67          1HB       ALA  67  -6.705   6.128   3.870
  533   2HB   ALA  67          2HB       ALA  67  -6.138   6.607   5.495
  534   3HB   ALA  67          3HB       ALA  67  -7.754   5.887   5.296
  535    H    ARG  68           H        ARG  68  -6.274   9.494   5.894
  536    HA   ARG  68           HA       ARG  68  -4.770  10.544   3.520
  537   1HB   ARG  68          1HB       ARG  68  -4.589  12.606   4.300
  538   2HB   ARG  68          2HB       ARG  68  -6.117  12.141   5.008
  539   1HG   ARG  68          1HG       ARG  68  -4.681  11.577   7.148
  540   2HG   ARG  68          2HG       ARG  68  -3.409  12.497   6.336
  541   1HD   ARG  68          1HD       ARG  68  -4.635  14.010   7.801
  542   2HD   ARG  68          2HD       ARG  68  -5.006  14.438   6.135
  543    HE   ARG  68           HE       ARG  68  -7.171  13.697   6.332
  544   1HH1  ARG  68          2HH2      ARG  68  -5.632  13.507   9.501
  545   2HH1  ARG  68          1HH2      ARG  68  -6.992  12.757  10.268
  546   1HH2  ARG  68          2HH1      ARG  68  -9.031  12.730   7.397
  547   2HH2  ARG  68          1HH1      ARG  68  -8.932  12.395   9.083
  548    H    THR  69           H        THR  69  -4.439   8.920   6.690
  549    HA   THR  69           HA       THR  69  -1.724   9.646   7.018
  550    HB   THR  69           HB       THR  69  -2.023   7.882   8.879
  551    HG1  THR  69           HG1      THR  69  -3.781   6.759   8.735
  552   1HG2  THR  69          2HG2      THR  69  -2.371  10.406   9.115
  553   2HG2  THR  69          3HG2      THR  69  -4.101  10.126   8.864
  554   3HG2  THR  69          1HG2      THR  69  -3.288   9.408  10.262
  555    H    VAL  70           H        VAL  70   0.107   8.493   6.609
  556    HA   VAL  70           HA       VAL  70  -0.123   6.234   4.723
  557    HB   VAL  70           HB       VAL  70   2.497   6.823   4.590
  558   1HG1  VAL  70          3HG1      VAL  70   0.789   6.795   2.752
  559   2HG1  VAL  70          1HG1      VAL  70   0.423   8.501   3.138
  560   3HG1  VAL  70          2HG1      VAL  70   2.045   8.016   2.594
  561   1HG2  VAL  70          1HG2      VAL  70   2.393   8.728   6.231
  562   2HG2  VAL  70          2HG2      VAL  70   2.835   9.266   4.592
  563   3HG2  VAL  70          3HG2      VAL  70   1.215   9.553   5.197
  564    HA   PRO  71           HA       PRO  71   1.961   4.559   4.065
  565   1HB   PRO  71          1HB       PRO  71   1.634   1.824   4.307
  566   2HB   PRO  71          2HB       PRO  71   3.138   2.674   4.751
  567   1HG   PRO  71          1HG       PRO  71   0.863   1.861   6.582
  568   2HG   PRO  71          2HG       PRO  71   2.624   1.604   6.807
  569   1HD   PRO  71          1HD       PRO  71   1.399   3.651   8.014
  570   2HD   PRO  71          2HD       PRO  71   3.012   3.872   7.296
  571    H    ARG  72           H        ARG  72   0.569   3.432   2.402
  572    HA   ARG  72           HA       ARG  72  -2.252   2.950   3.240
  573   1HB   ARG  72          1HB       ARG  72  -1.616   5.293   2.011
  574   2HB   ARG  72          2HB       ARG  72  -1.695   4.303   0.586
  575   1HG   ARG  72          1HG       ARG  72  -3.919   4.869   0.682
  576   2HG   ARG  72          2HG       ARG  72  -3.948   3.415   1.674
  577   1HD   ARG  72          1HD       ARG  72  -5.114   4.861   3.019
  578   2HD   ARG  72          2HD       ARG  72  -3.500   5.096   3.685
  579    HE   ARG  72           HE       ARG  72  -5.142   6.928   2.071
  580   1HH1  ARG  72          2HH2      ARG  72  -2.103   6.595   3.794
  581   2HH1  ARG  72          1HH2      ARG  72  -1.514   8.161   3.374
  582   1HH2  ARG  72          2HH1      ARG  72  -4.502   9.067   1.850
  583   2HH2  ARG  72          1HH1      ARG  72  -2.948   9.639   2.320
  584    H    VAL  73           H        VAL  73  -2.573   0.765   2.711
  585    HA   VAL  73           HA       VAL  73  -0.954  -0.353   0.470
  586    HB   VAL  73           HB       VAL  73  -2.616  -1.647   2.656
  587   1HG1  VAL  73          1HG1      VAL  73  -1.072  -2.982   0.362
  588   2HG1  VAL  73          2HG1      VAL  73  -1.778  -3.831   1.755
  589   3HG1  VAL  73          3HG1      VAL  73  -2.816  -3.026   0.598
  590   1HG2  VAL  73          2HG2      VAL  73   0.387  -1.654   2.160
  591   2HG2  VAL  73          3HG2      VAL  73  -0.465  -0.835   3.492
  592   3HG2  VAL  73          1HG2      VAL  73  -0.447  -2.594   3.374
  593    H    PHE  74           H        PHE  74  -1.844  -0.590  -1.441
  594    HA   PHE  74           HA       PHE  74  -4.751  -1.045  -1.740
  595   1HB   PHE  74          1HB       PHE  74  -2.672   0.063  -3.639
  596   2HB   PHE  74          2HB       PHE  74  -4.020  -0.870  -4.248
  597    HD1  PHE  74          1HD       PHE  74  -3.238   2.205  -2.254
  598    HD2  PHE  74          2HD       PHE  74  -6.136   0.069  -4.612
  599    HE1  PHE  74          1HE       PHE  74  -4.622   4.260  -2.445
  600    HE2  PHE  74          2HE       PHE  74  -7.520   2.112  -4.796
  601    HZ   PHE  74           HZ       PHE  74  -6.744   4.227  -3.747
  602    H    ILE  75           H        ILE  75  -5.095  -3.208  -1.809
  603    HA   ILE  75           HA       ILE  75  -3.052  -4.954  -3.098
  604    HB   ILE  75           HB       ILE  75  -4.887  -5.442  -0.821
  605   1HG1  ILE  75          1HG1      ILE  75  -3.376  -7.501  -0.635
  606   2HG1  ILE  75          2HG1      ILE  75  -2.443  -6.793  -1.976
  607   1HG2  ILE  75          3HG2      ILE  75  -4.705  -7.489  -3.100
  608   2HG2  ILE  75          1HG2      ILE  75  -5.380  -7.792  -1.493
  609   3HG2  ILE  75          2HG2      ILE  75  -6.184  -6.664  -2.582
  610   1HD1  ILE  75          2HD1      ILE  75  -2.003  -4.882  -0.538
  611   2HD1  ILE  75          3HD1      ILE  75  -2.848  -5.725   0.799
  612   3HD1  ILE  75          1HD1      ILE  75  -1.367  -6.411   0.098
  613    H    GLY  76           H        GLY  76  -3.538  -5.158  -5.238
  614   1HA   GLY  76          1HA       GLY  76  -4.685  -5.156  -7.202
  615   2HA   GLY  76          2HA       GLY  76  -5.781  -6.186  -6.294
  616    H    LYS  77           H        LYS  77  -5.125  -2.748  -6.969
  617    HA   LYS  77           HA       LYS  77  -6.343  -0.906  -6.903
  618   1HB   LYS  77          1HB       LYS  77  -7.326  -2.653  -8.904
  619   2HB   LYS  77          2HB       LYS  77  -8.746  -1.917  -8.179
  620   1HG   LYS  77          1HG       LYS  77  -7.547   0.333  -8.426
  621   2HG   LYS  77          2HG       LYS  77  -6.311  -0.509  -9.362
  622   1HD   LYS  77          1HD       LYS  77  -7.975  -1.303 -10.955
  623   2HD   LYS  77          2HD       LYS  77  -9.282  -0.477 -10.105
  624   1HE   LYS  77          1HE       LYS  77  -6.859   1.039 -11.135
  625   2HE   LYS  77          2HE       LYS  77  -8.165   0.581 -12.232
  626   1HZ   LYS  77          1HZ       LYS  77  -8.552   2.270  -9.836
  627   2HZ   LYS  77          2HZ       LYS  77  -8.456   2.785 -11.405
  628   3HZ   LYS  77          3HZ       LYS  77  -9.706   1.833 -10.914
  629    H    ASP  78           H        ASP  78  -7.142  -2.948  -4.530
  630    HA   ASP  78           HA       ASP  78  -9.272  -1.060  -3.627
  631   1HB   ASP  78          1HB       ASP  78 -10.060  -3.400  -3.771
  632   2HB   ASP  78          2HB       ASP  78  -8.786  -3.886  -2.633
  633    H    CYS  79           H        CYS  79  -8.629   0.315  -2.121
  634    HA   CYS  79           HA       CYS  79  -6.139   0.080  -0.668
  635   1HB   CYS  79          1HB       CYS  79  -7.230   2.237  -1.298
  636   2HB   CYS  79          2HB       CYS  79  -8.498   1.913  -0.104
  637    HG   CYS  79           HG       CYS  79  -7.059   1.861   1.950
  638    H    ILE  80           H        ILE  80  -5.889  -1.507   1.034
  639    HA   ILE  80           HA       ILE  80  -8.314  -2.352   2.418
  640    HB   ILE  80           HB       ILE  80  -6.945  -3.937   3.454
  641   1HG1  ILE  80          1HG1      ILE  80  -4.598  -4.394   2.607
  642   2HG1  ILE  80          2HG1      ILE  80  -4.575  -2.729   2.018
  643   1HG2  ILE  80          3HG2      ILE  80  -7.948  -4.381   1.262
  644   2HG2  ILE  80          1HG2      ILE  80  -6.430  -3.919   0.463
  645   3HG2  ILE  80          2HG2      ILE  80  -6.476  -5.329   1.553
  646   1HD1  ILE  80          3HD1      ILE  80  -5.209  -3.444   4.909
  647   2HD1  ILE  80          1HD1      ILE  80  -3.552  -3.212   4.317
  648   3HD1  ILE  80          2HD1      ILE  80  -4.688  -1.871   4.263
  649    H    GLY  81           H        GLY  81  -5.945   0.120   2.716
  650   1HA   GLY  81          1HA       GLY  81  -6.807   1.855   4.330
  651   2HA   GLY  81          2HA       GLY  81  -6.800   0.579   5.540
  652    H    GLY  82           H        GLY  82  -5.440   1.849   6.718
  653   1HA   GLY  82          1HA       GLY  82  -2.665   2.364   5.838
  654   2HA   GLY  82          2HA       GLY  82  -3.483   3.047   7.264
  655    H    CYS  83           H        CYS  83  -1.764   2.380   8.718
  656    HA   CYS  83           HA       CYS  83  -0.537  -0.206   8.399
  657   1HB   CYS  83          1HB       CYS  83   0.375   2.130   9.429
  658   2HB   CYS  83          2HB       CYS  83  -0.203   1.378  10.929
  659    HG   CYS  83           HG       CYS  83   2.135   0.506   8.754
  660    H    SER  84           H        SER  84  -3.051   1.197  10.579
  661    HA   SER  84           HA       SER  84  -2.914  -1.049  12.297
  662   1HB   SER  84          1HB       SER  84  -3.933   1.173  12.921
  663   2HB   SER  84          2HB       SER  84  -5.350   0.753  11.947
  664    HG   SER  84           HG       SER  84  -5.767  -0.972  13.343
  665    H    ASP  85           H        ASP  85  -4.969  -0.186   9.521
  666    HA   ASP  85           HA       ASP  85  -6.700  -2.460   9.682
  667   1HB   ASP  85          1HB       ASP  85  -6.004  -0.499   7.472
  668   2HB   ASP  85          2HB       ASP  85  -7.193  -1.786   7.271
  669    H    LEU  86           H        LEU  86  -3.728  -1.776   7.777
  670    HA   LEU  86           HA       LEU  86  -3.434  -4.283   6.575
  671   1HB   LEU  86          1HB       LEU  86  -2.051  -2.317   6.059
  672   2HB   LEU  86          2HB       LEU  86  -1.344  -2.372   7.677
  673    HG   LEU  86           HG       LEU  86  -0.336  -4.584   7.167
  674   1HD1  LEU  86          2HD1      LEU  86  -1.489  -4.160   4.379
  675   2HD1  LEU  86          3HD1      LEU  86  -0.248  -5.359   4.811
  676   3HD1  LEU  86          1HD1      LEU  86  -1.856  -5.464   5.508
  677   1HD2  LEU  86          2HD2      LEU  86   0.303  -2.202   5.399
  678   2HD2  LEU  86          3HD2      LEU  86   1.004  -2.642   6.953
  679   3HD2  LEU  86          1HD2      LEU  86   1.353  -3.632   5.529
  680    H    VAL  87           H        VAL  87  -2.358  -3.323   9.992
  681    HA   VAL  87           HA       VAL  87  -1.205  -5.815  10.555
  682    HB   VAL  87           HB       VAL  87  -2.255  -3.431  12.103
  683   1HG1  VAL  87          1HG1      VAL  87  -1.225  -6.017  13.288
  684   2HG1  VAL  87          2HG1      VAL  87  -1.346  -4.462  14.166
  685   3HG1  VAL  87          3HG1      VAL  87  -2.810  -5.258  13.561
  686   1HG2  VAL  87          3HG2      VAL  87   0.005  -3.399  10.936
  687   2HG2  VAL  87          1HG2      VAL  87   0.072  -3.143  12.689
  688   3HG2  VAL  87          2HG2      VAL  87   0.493  -4.728  12.003
  689    H    SER  88           H        SER  88  -4.656  -4.621  10.719
  690    HA   SER  88           HA       SER  88  -5.619  -6.806  12.354
  691   1HB   SER  88          1HB       SER  88  -6.891  -4.773  10.504
  692   2HB   SER  88          2HB       SER  88  -7.687  -6.328  10.599
  693    HG   SER  88           HG       SER  88  -8.569  -5.085  12.185
  694    H    LEU  89           H        LEU  89  -5.675  -6.112   8.824
  695    HA   LEU  89           HA       LEU  89  -6.730  -8.608   8.064
  696   1HB   LEU  89          1HB       LEU  89  -5.114  -6.517   6.544
  697   2HB   LEU  89          2HB       LEU  89  -5.636  -8.021   5.831
  698    HG   LEU  89           HG       LEU  89  -8.047  -7.313   6.620
  699   1HD1  LEU  89          3HD1      LEU  89  -6.645  -4.646   6.242
  700   2HD1  LEU  89          1HD1      LEU  89  -8.397  -4.886   6.145
  701   3HD1  LEU  89          2HD1      LEU  89  -7.563  -5.211   7.661
  702   1HD2  LEU  89          2HD2      LEU  89  -6.629  -6.258   4.144
  703   2HD2  LEU  89          3HD2      LEU  89  -7.372  -7.866   4.327
  704   3HD2  LEU  89          1HD2      LEU  89  -8.390  -6.425   4.344
  705    H    GLN  90           H        GLN  90  -3.305  -7.655   8.748
  706    HA   GLN  90           HA       GLN  90  -2.258 -10.195   7.883
  707   1HB   GLN  90          1HB       GLN  90  -0.830  -8.204   8.176
  708   2HB   GLN  90          2HB       GLN  90  -1.103  -8.248   9.925
  709   1HG   GLN  90          1HG       GLN  90  -0.053 -10.488  10.044
  710   2HG   GLN  90          2HG       GLN  90   0.141 -10.506   8.289
  711   1HE2  GLN  90          2HE2      GLN  90   3.282  -8.917   8.512
  712   2HE2  GLN  90          1HE2      GLN  90   2.221  -9.916   7.584
  713    H    GLN  91           H        GLN  91  -2.899  -9.014  11.306
  714    HA   GLN  91           HA       GLN  91  -2.191 -11.472  12.406
  715   1HB   GLN  91          1HB       GLN  91  -2.819  -8.800  13.195
  716   2HB   GLN  91          2HB       GLN  91  -3.953  -9.783  14.076
  717   1HG   GLN  91          1HG       GLN  91  -0.987 -10.460  14.011
  718   2HG   GLN  91          2HG       GLN  91  -1.608  -9.136  14.965
  719   1HE2  GLN  91          2HE2      GLN  91  -3.105 -12.760  16.223
  720   2HE2  GLN  91          1HE2      GLN  91  -3.265 -12.439  14.512
  721    H    SER  92           H        SER  92  -5.395 -10.174  11.533
  722    HA   SER  92           HA       SER  92  -6.810 -12.531  12.581
  723   1HB   SER  92          1HB       SER  92  -7.699 -10.143  12.740
  724   2HB   SER  92          2HB       SER  92  -7.894 -10.181  10.974
  725    HG   SER  92           HG       SER  92  -9.135 -12.164  11.381
  726    H    GLY  93           H        GLY  93  -4.937 -11.864   9.851
  727   1HA   GLY  93          1HA       GLY  93  -4.457 -13.277   8.191
  728   2HA   GLY  93          2HA       GLY  93  -5.808 -14.303   8.672
  729    H    GLU  94           H        GLU  94  -7.112 -11.093   8.002
  730    HA   GLU  94           HA       GLU  94  -8.479 -12.334   5.799
  731   1HB   GLU  94          1HB       GLU  94  -9.497 -10.624   7.216
  732   2HB   GLU  94          2HB       GLU  94  -8.288  -9.450   6.687
  733   1HG   GLU  94          1HG       GLU  94  -9.145  -9.641   4.340
  734   2HG   GLU  94          2HG       GLU  94 -10.363 -10.797   4.902
  735    H    LEU  95           H        LEU  95  -5.593 -10.406   6.073
  736    HA   LEU  95           HA       LEU  95  -5.371  -9.319   3.483
  737   1HB   LEU  95          1HB       LEU  95  -3.822  -8.979   5.632
  738   2HB   LEU  95          2HB       LEU  95  -2.973 -10.367   5.028
  739    HG   LEU  95           HG       LEU  95  -2.585  -9.067   2.877
  740   1HD1  LEU  95          1HD1      LEU  95  -3.791  -6.770   4.487
  741   2HD1  LEU  95          2HD1      LEU  95  -2.863  -6.591   2.989
  742   3HD1  LEU  95          3HD1      LEU  95  -4.418  -7.426   2.958
  743   1HD2  LEU  95          2HD2      LEU  95  -1.658  -7.851   5.517
  744   2HD2  LEU  95          3HD2      LEU  95  -0.923  -9.223   4.667
  745   3HD2  LEU  95          1HD2      LEU  95  -0.881  -7.610   3.941
  746    H    LEU  96           H        LEU  96  -4.690 -12.591   4.684
  747    HA   LEU  96           HA       LEU  96  -2.928 -13.248   2.501
  748   1HB   LEU  96          1HB       LEU  96  -3.136 -14.303   4.860
  749   2HB   LEU  96          2HB       LEU  96  -4.388 -15.326   4.160
  750    HG   LEU  96           HG       LEU  96  -1.750 -15.016   2.682
  751   1HD1  LEU  96          2HD1      LEU  96  -2.082 -16.726   5.143
  752   2HD1  LEU  96          3HD1      LEU  96  -0.697 -16.752   4.015
  753   3HD1  LEU  96          1HD1      LEU  96  -1.041 -15.295   4.961
  754   1HD2  LEU  96          3HD2      LEU  96  -3.534 -16.432   1.676
  755   2HD2  LEU  96          1HD2      LEU  96  -2.087 -17.364   2.089
  756   3HD2  LEU  96          2HD2      LEU  96  -3.525 -17.450   3.131
  757    H    THR  97           H        THR  97  -6.426 -13.859   3.179
  758    HA   THR  97           HA       THR  97  -7.005 -15.078   0.672
  759    HB   THR  97           HB       THR  97  -8.788 -13.333   2.445
  760    HG1  THR  97           HG1      THR  97  -9.161 -15.176   3.609
  761   1HG2  THR  97          2HG2      THR  97  -9.452 -15.676   0.598
  762   2HG2  THR  97          3HG2      THR  97 -10.606 -14.793   1.624
  763   3HG2  THR  97          1HG2      THR  97  -9.816 -13.967   0.274
  764    H    ARG  98           H        ARG  98  -7.261 -11.650   1.798
  765    HA   ARG  98           HA       ARG  98  -8.215 -10.536  -0.562
  766   1HB   ARG  98          1HB       ARG  98  -7.426  -9.620   1.950
  767   2HB   ARG  98          2HB       ARG  98  -6.269  -8.810   0.920
  768   1HG   ARG  98          1HG       ARG  98  -9.257  -8.749   0.333
  769   2HG   ARG  98          2HG       ARG  98  -8.561  -7.715   1.577
  770   1HD   ARG  98          1HD       ARG  98  -7.082  -6.648  -0.032
  771   2HD   ARG  98          2HD       ARG  98  -7.636  -7.677  -1.321
  772    HE   ARG  98           HE       ARG  98  -9.021  -5.378  -0.082
  773   1HH1  ARG  98          2HH2      ARG  98  -9.430  -8.080  -2.387
  774   2HH1  ARG  98          1HH2      ARG  98 -10.927  -7.458  -2.965
  775   1HH2  ARG  98          2HH1      ARG  98 -10.991  -4.674  -0.809
  776   2HH2  ARG  98          1HH1      ARG  98 -11.981  -5.620  -1.883
  777    H    LEU  99           H        LEU  99  -4.775 -11.120   0.300
  778    HA   LEU  99           HA       LEU  99  -3.693 -10.208  -2.192
  779   1HB   LEU  99          1HB       LEU  99  -2.833 -12.043   0.097
  780   2HB   LEU  99          2HB       LEU  99  -1.779 -11.809  -1.276
  781    HG   LEU  99           HG       LEU  99  -2.746  -9.461   0.373
  782   1HD1  LEU  99          2HD1      LEU  99  -0.230 -11.148   0.730
  783   2HD1  LEU  99          3HD1      LEU  99  -0.602  -9.620   1.575
  784   3HD1  LEU  99          1HD1      LEU  99  -1.590 -11.055   1.858
  785   1HD2  LEU  99          2HD2      LEU  99  -0.405  -9.919  -1.539
  786   2HD2  LEU  99          3HD2      LEU  99  -1.845  -8.979  -1.889
  787   3HD2  LEU  99          1HD2      LEU  99  -0.709  -8.430  -0.636
  788    H    LYS 100           H        LYS 100  -4.395 -13.620  -1.055
  789    HA   LYS 100           HA       LYS 100  -3.215 -14.487  -3.542
  790   1HB   LYS 100          1HB       LYS 100  -4.056 -15.856  -1.233
  791   2HB   LYS 100          2HB       LYS 100  -5.082 -16.499  -2.499
  792   1HG   LYS 100          1HG       LYS 100  -2.915 -16.677  -3.958
  793   2HG   LYS 100          2HG       LYS 100  -2.041 -16.267  -2.509
  794   1HD   LYS 100          1HD       LYS 100  -3.212 -18.286  -1.381
  795   2HD   LYS 100          2HD       LYS 100  -3.817 -18.739  -2.964
  796   1HE   LYS 100          1HE       LYS 100  -0.868 -18.616  -2.153
  797   2HE   LYS 100          2HE       LYS 100  -1.851 -20.072  -2.162
  798   1HZ   LYS 100          2HZ       LYS 100  -1.984 -19.861  -4.603
  799   2HZ   LYS 100          3HZ       LYS 100  -1.041 -18.486  -4.506
  800   3HZ   LYS 100          1HZ       LYS 100  -0.416 -19.856  -4.076
  801    H    GLN 101           H        GLN 101  -6.448 -13.640  -2.698
  802    HA   GLN 101           HA       GLN 101  -7.992 -14.335  -4.886
  803   1HB   GLN 101          1HB       GLN 101  -8.674 -13.016  -2.898
  804   2HB   GLN 101          2HB       GLN 101  -7.717 -11.657  -3.488
  805   1HG   GLN 101          1HG       GLN 101  -9.281 -11.639  -5.534
  806   2HG   GLN 101          2HG       GLN 101 -10.306 -12.746  -4.601
  807   1HE2  GLN 101          2HE2      GLN 101 -11.072 -10.267  -2.000
  808   2HE2  GLN 101          1HE2      GLN 101 -10.891 -11.965  -2.340
  809    H    ILE 102           H        ILE 102  -5.310 -11.845  -4.813
  810    HA   ILE 102           HA       ILE 102  -5.846 -11.293  -7.669
  811    HB   ILE 102           HB       ILE 102  -4.855  -9.246  -7.437
  812   1HG1  ILE 102          1HG1      ILE 102  -4.093  -9.049  -4.631
  813   2HG1  ILE 102          2HG1      ILE 102  -3.271 -10.380  -5.364
  814   1HG2  ILE 102          1HG2      ILE 102  -7.087  -9.449  -6.421
  815   2HG2  ILE 102          2HG2      ILE 102  -6.334  -9.688  -4.817
  816   3HG2  ILE 102          3HG2      ILE 102  -6.109  -8.166  -5.673
  817   1HD1  ILE 102          2HD1      ILE 102  -3.282  -7.566  -6.496
  818   2HD1  ILE 102          3HD1      ILE 102  -1.976  -8.278  -5.527
  819   3HD1  ILE 102          1HD1      ILE 102  -2.343  -8.949  -7.120
  820    H    GLY 103           H        GLY 103  -4.301 -13.721  -6.445
  821   1HA   GLY 103          1HA       GLY 103  -2.737 -15.097  -7.399
  822   2HA   GLY 103          2HA       GLY 103  -2.480 -13.891  -8.663
  823    H    ALA 104           H        ALA 104  -1.997 -13.620  -5.095
  824    HA   ALA 104           HA       ALA 104   0.744 -12.488  -5.556
  825   1HB   ALA 104          2HB       ALA 104  -1.329 -12.462  -3.280
  826   2HB   ALA 104          3HB       ALA 104   0.211 -11.592  -3.242
  827   3HB   ALA 104          1HB       ALA 104  -1.081 -11.114  -4.398
  828    H    LEU 105           H        LEU 105  -0.713 -14.417  -2.638
  829    HA   LEU 105           HA       LEU 105   1.917 -15.261  -2.243
  830   1HB   LEU 105          1HB       LEU 105  -0.441 -16.831  -1.256
  831   2HB   LEU 105          2HB       LEU 105   1.152 -16.672  -0.711
  832    HG   LEU 105           HG       LEU 105  -0.018 -15.669   0.954
  833   1HD1  LEU 105          1HD1      LEU 105   1.973 -14.349   0.225
  834   2HD1  LEU 105          2HD1      LEU 105   0.883 -13.312  -0.716
  835   3HD1  LEU 105          3HD1      LEU 105   0.735 -13.389   1.052
  836   1HD2  LEU 105          3HD2      LEU 105  -1.563 -14.076  -1.112
  837   2HD2  LEU 105          1HD2      LEU 105  -2.151 -15.404  -0.095
  838   3HD2  LEU 105          2HD2      LEU 105  -1.667 -13.883   0.645
  839    H    GLN 106           H        GLN 106   2.842 -17.050  -2.905
  840    HA   GLN 106           HA       GLN 106   2.201 -17.592  -5.605
  841   1HB   GLN 106          2HB       GLN 106   4.449 -17.344  -4.457
  842   2HB   GLN 106          3HB       GLN 106   4.291 -19.018  -3.915
  843   1HG   GLN 106          2HG       GLN 106   4.365 -19.809  -6.215
  844   2HG   GLN 106          3HG       GLN 106   4.084 -18.181  -6.845
  845   1HE2  GLN 106          2HE2      GLN 106   7.876 -19.178  -5.571
  846   2HE2  GLN 106          1HE2      GLN 106   6.504 -20.176  -5.099
   
  No H/Q in entry =         846
  Start of MODEL   15
    1   1H    ALA   2          1H        ALA   2  -2.945  10.580  -6.404
    2   2H    ALA   2          2H        ALA   2  -4.363  11.344  -5.952
    3   3H    ALA   2          3H        ALA   2  -3.996  11.137  -7.548
    4    HA   ALA   2           HA       ALA   2  -3.616  13.361  -6.981
    5   1HB   ALA   2          2HB       ALA   2  -2.003  12.053  -4.828
    6   2HB   ALA   2          3HB       ALA   2  -1.422  13.596  -5.513
    7   3HB   ALA   2          1HB       ALA   2  -2.999  13.543  -4.754
    8    H    GLN   3           H        GLN   3  -2.823  13.799  -8.801
    9    HA   GLN   3           HA       GLN   3  -1.912  13.645 -10.663
   10   1HB   GLN   3          1HB       GLN   3   0.251  13.739  -8.822
   11   2HB   GLN   3          2HB       GLN   3   0.742  12.546 -10.006
   12   1HG   GLN   3          1HG       GLN   3  -0.103  15.429 -10.581
   13   2HG   GLN   3          2HG       GLN   3   1.557  14.813 -10.569
   14   1HE2  GLN   3          2HE2      GLN   3  -0.724  14.257 -13.903
   15   2HE2  GLN   3          1HE2      GLN   3  -1.237  15.273 -12.553
   16    H    GLU   4           H        GLU   4  -0.855  12.208 -12.439
   17    HA   GLU   4           HA       GLU   4  -1.959   9.571 -12.351
   18   1HB   GLU   4          1HB       GLU   4  -1.439  11.161 -14.395
   19   2HB   GLU   4          2HB       GLU   4   0.165  10.409 -14.319
   20   1HG   GLU   4          1HG       GLU   4  -1.061   8.159 -14.269
   21   2HG   GLU   4          2HG       GLU   4  -2.552   9.029 -14.589
   22    H    PHE   5           H        PHE   5   1.017  10.968 -11.316
   23    HA   PHE   5           HA       PHE   5   2.785   8.848 -11.085
   24   1HB   PHE   5          1HB       PHE   5   2.972  11.288 -10.282
   25   2HB   PHE   5          2HB       PHE   5   2.209  10.756  -8.792
   26    HD1  PHE   5          2HD       PHE   5   3.424   8.527  -7.693
   27    HD2  PHE   5          1HD       PHE   5   5.277  11.314 -10.431
   28    HE1  PHE   5          2HE       PHE   5   5.678   7.801  -6.937
   29    HE2  PHE   5          1HE       PHE   5   7.491  10.618  -9.622
   30    HZ   PHE   5           HZ       PHE   5   7.712   8.856  -7.884
   31    H    VAL   6           H        VAL   6  -0.029   9.565  -8.860
   32    HA   VAL   6           HA       VAL   6   0.327   7.005  -7.525
   33    HB   VAL   6           HB       VAL   6  -1.745   9.199  -7.420
   34   1HG1  VAL   6          2HG1      VAL   6  -2.016   6.509  -6.053
   35   2HG1  VAL   6          3HG1      VAL   6  -2.927   7.953  -5.609
   36   3HG1  VAL   6          1HG1      VAL   6  -3.137   7.224  -7.213
   37   1HG2  VAL   6          2HG2      VAL   6   0.416   9.398  -6.101
   38   2HG2  VAL   6          3HG2      VAL   6  -1.015   9.322  -5.057
   39   3HG2  VAL   6          1HG2      VAL   6   0.001   7.904  -5.263
   40    H    ASN   7           H        ASN   7  -1.951   8.259 -10.047
   41    HA   ASN   7           HA       ASN   7  -3.623   6.019  -9.885
   42   1HB   ASN   7          1HB       ASN   7  -3.328   7.443 -12.532
   43   2HB   ASN   7          2HB       ASN   7  -4.754   6.720 -11.820
   44   1HD2  ASN   7          2HD2      ASN   7  -4.596   9.815  -9.496
   45   2HD2  ASN   7          1HD2      ASN   7  -4.569   8.064  -9.150
   46    H    CYS   8           H        CYS   8  -1.057   6.535 -12.389
   47    HA   CYS   8           HA       CYS   8  -1.508   3.812 -13.387
   48   1HB   CYS   8          1HB       CYS   8   0.382   6.060 -14.178
   49   2HB   CYS   8          2HB       CYS   8   0.355   4.466 -14.969
   50    HG   CYS   8           HG       CYS   8  -0.994   6.465 -16.275
   51    H    LYS   9           H        LYS   9   0.330   4.982 -10.747
   52    HA   LYS   9           HA       LYS   9   2.460   2.997 -11.052
   53   1HB   LYS   9          1HB       LYS   9   1.512   4.781  -8.835
   54   2HB   LYS   9          2HB       LYS   9   2.281   3.295  -8.346
   55   1HG   LYS   9          1HG       LYS   9   3.599   5.174 -10.356
   56   2HG   LYS   9          2HG       LYS   9   3.807   5.324  -8.616
   57   1HD   LYS   9          1HD       LYS   9   4.504   2.831  -8.635
   58   2HD   LYS   9          2HD       LYS   9   4.668   2.999 -10.381
   59   1HE   LYS   9          1HE       LYS   9   6.060   4.803  -8.345
   60   2HE   LYS   9          2HE       LYS   9   6.766   3.304  -8.962
   61   1HZ   LYS   9          3HZ       LYS   9   6.032   5.590 -10.708
   62   2HZ   LYS   9          1HZ       LYS   9   7.565   5.206 -10.178
   63   3HZ   LYS   9          2HZ       LYS   9   6.757   4.195 -11.147
   64    H    ILE  10           H        ILE  10  -1.013   2.802 -10.203
   65    HA   ILE  10           HA       ILE  10  -0.504   0.173  -8.987
   66    HB   ILE  10           HB       ILE  10  -3.185   1.454  -9.460
   67   1HG1  ILE  10          1HG1      ILE  10  -2.067   1.976  -6.751
   68   2HG1  ILE  10          2HG1      ILE  10  -1.291   2.930  -7.977
   69   1HG2  ILE  10          1HG2      ILE  10  -2.112  -0.480  -7.369
   70   2HG2  ILE  10          2HG2      ILE  10  -3.701   0.286  -7.255
   71   3HG2  ILE  10          3HG2      ILE  10  -3.338  -0.790  -8.611
   72   1HD1  ILE  10          1HD1      ILE  10  -3.484   3.643  -8.878
   73   2HD1  ILE  10          2HD1      ILE  10  -4.280   2.779  -7.555
   74   3HD1  ILE  10          3HD1      ILE  10  -3.181   4.162  -7.219
   75    H    GLN  11           H        GLN  11  -1.593  -1.725  -9.788
   76    HA   GLN  11           HA       GLN  11  -2.965  -1.551 -12.372
   77   1HB   GLN  11          1HB       GLN  11  -0.559  -3.298 -11.717
   78   2HB   GLN  11          2HB       GLN  11  -1.802  -3.875 -12.822
   79   1HG   GLN  11          1HG       GLN  11  -1.472  -2.007 -14.340
   80   2HG   GLN  11          2HG       GLN  11  -0.342  -1.244 -13.220
   81   1HE2  GLN  11          2HE2      GLN  11   0.940  -4.429 -15.521
   82   2HE2  GLN  11          1HE2      GLN  11  -0.758  -4.027 -15.404
   83    HA   PRO  12           HA       PRO  12  -5.679  -3.980  -9.829
   84   1HB   PRO  12          1HB       PRO  12  -7.476  -4.950 -11.581
   85   2HB   PRO  12          2HB       PRO  12  -7.195  -3.199 -11.389
   86   1HG   PRO  12          1HG       PRO  12  -5.966  -5.030 -13.490
   87   2HG   PRO  12          2HG       PRO  12  -6.854  -3.498 -13.757
   88   1HD   PRO  12          1HD       PRO  12  -4.118  -3.600 -13.580
   89   2HD   PRO  12          2HD       PRO  12  -5.058  -2.201 -12.981
   90    H    GLY  13           H        GLY  13  -3.476  -5.250  -9.693
   91   1HA   GLY  13          1HA       GLY  13  -3.964  -7.920  -9.044
   92   2HA   GLY  13          2HA       GLY  13  -3.437  -7.936 -10.717
   93    H    LYS  14           H        LYS  14  -2.361  -5.594  -8.292
   94    HA   LYS  14           HA       LYS  14   0.169  -6.951  -7.792
   95   1HB   LYS  14          1HB       LYS  14  -0.112  -4.402  -9.364
   96   2HB   LYS  14          2HB       LYS  14   0.906  -4.258  -7.936
   97   1HG   LYS  14          1HG       LYS  14   2.017  -6.434  -8.718
   98   2HG   LYS  14          2HG       LYS  14   1.304  -6.127 -10.282
   99   1HD   LYS  14          1HD       LYS  14   2.970  -4.038  -8.783
  100   2HD   LYS  14          2HD       LYS  14   3.742  -5.271  -9.752
  101   1HE   LYS  14          1HE       LYS  14   1.601  -3.401 -10.849
  102   2HE   LYS  14          2HE       LYS  14   3.324  -3.042 -10.897
  103   1HZ   LYS  14          1HZ       LYS  14   2.116  -5.445 -12.171
  104   2HZ   LYS  14          2HZ       LYS  14   2.537  -4.050 -12.929
  105   3HZ   LYS  14          3HZ       LYS  14   3.698  -4.957 -12.234
  106    H    VAL  15           H        VAL  15   1.281  -5.565  -5.959
  107    HA   VAL  15           HA       VAL  15  -0.845  -4.831  -4.015
  108    HB   VAL  15           HB       VAL  15   1.804  -6.237  -3.468
  109   1HG1  VAL  15          3HG1      VAL  15  -0.658  -5.579  -1.888
  110   2HG1  VAL  15          1HG1      VAL  15   0.628  -6.613  -1.239
  111   3HG1  VAL  15          2HG1      VAL  15   0.924  -4.894  -1.589
  112   1HG2  VAL  15          1HG2      VAL  15  -0.961  -7.469  -3.663
  113   2HG2  VAL  15          2HG2      VAL  15   0.439  -7.821  -4.701
  114   3HG2  VAL  15          3HG2      VAL  15   0.498  -8.258  -3.007
  115    H    VAL  16           H        VAL  16  -0.715  -2.649  -3.745
  116    HA   VAL  16           HA       VAL  16   1.856  -1.327  -4.474
  117    HB   VAL  16           HB       VAL  16  -0.982  -0.780  -5.409
  118   1HG1  VAL  16          2HG1      VAL  16   1.642   0.633  -5.921
  119   2HG1  VAL  16          3HG1      VAL  16   0.254   0.791  -7.012
  120   3HG1  VAL  16          1HG1      VAL  16   0.089   1.291  -5.333
  121   1HG2  VAL  16          2HG2      VAL  16   1.399  -2.104  -6.735
  122   2HG2  VAL  16          3HG2      VAL  16  -0.256  -2.730  -6.531
  123   3HG2  VAL  16          1HG2      VAL  16   0.059  -1.429  -7.669
  124    H    VAL  17           H        VAL  17   2.567  -0.136  -2.889
  125    HA   VAL  17           HA       VAL  17   0.584   1.105  -1.019
  126    HB   VAL  17           HB       VAL  17   3.413   0.448  -0.218
  127   1HG1  VAL  17          3HG1      VAL  17   2.044   1.889   1.266
  128   2HG1  VAL  17          1HG1      VAL  17   0.819   0.621   1.370
  129   3HG1  VAL  17          2HG1      VAL  17   2.447   0.350   2.034
  130   1HG2  VAL  17          3HG2      VAL  17   1.095  -1.530  -0.085
  131   2HG2  VAL  17          1HG2      VAL  17   2.606  -1.719  -1.010
  132   3HG2  VAL  17          2HG2      VAL  17   2.673  -1.672   0.740
  133    H    PHE  18           H        PHE  18   0.701   3.257  -0.610
  134    HA   PHE  18           HA       PHE  18   2.899   4.804  -1.896
  135   1HB   PHE  18          1HB       PHE  18   0.085   5.581  -1.041
  136   2HB   PHE  18          2HB       PHE  18   1.289   6.758  -1.561
  137    HD1  PHE  18          1HD       PHE  18   2.451   6.431  -3.853
  138    HD2  PHE  18          2HD       PHE  18  -1.245   4.514  -2.700
  139    HE1  PHE  18          1HE       PHE  18   1.950   5.932  -6.234
  140    HE2  PHE  18          2HE       PHE  18  -1.710   3.997  -5.089
  141    HZ   PHE  18           HZ       PHE  18  -0.111   4.680  -6.833
  142    H    ILE  19           H        ILE  19   4.394   5.630  -0.526
  143    HA   ILE  19           HA       ILE  19   3.954   5.612   2.398
  144    HB   ILE  19           HB       ILE  19   6.106   4.394   2.633
  145   1HG1  ILE  19          1HG1      ILE  19   6.510   2.911   0.366
  146   2HG1  ILE  19          2HG1      ILE  19   6.174   4.467  -0.335
  147   1HG2  ILE  19          3HG2      ILE  19   3.788   3.336   2.634
  148   2HG2  ILE  19          1HG2      ILE  19   4.232   2.655   1.051
  149   3HG2  ILE  19          2HG2      ILE  19   5.180   2.272   2.507
  150   1HD1  ILE  19          1HD1      ILE  19   7.987   5.467   1.079
  151   2HD1  ILE  19          2HD1      ILE  19   8.323   3.842   1.726
  152   3HD1  ILE  19          3HD1      ILE  19   8.554   4.182   0.001
  153    H    LYS  20           H        LYS  20   5.980   6.509   3.500
  154    HA   LYS  20           HA       LYS  20   7.475   8.444   1.850
  155   1HB   LYS  20          1HB       LYS  20   7.453   9.829   4.134
  156   2HB   LYS  20          2HB       LYS  20   6.227  10.081   2.902
  157   1HG   LYS  20          1HG       LYS  20   4.550   8.913   4.076
  158   2HG   LYS  20          2HG       LYS  20   5.715   8.074   5.081
  159   1HD   LYS  20          1HD       LYS  20   4.654   9.561   6.513
  160   2HD   LYS  20          2HD       LYS  20   6.259  10.233   6.221
  161   1HE   LYS  20          1HE       LYS  20   5.160  11.814   4.550
  162   2HE   LYS  20          2HE       LYS  20   3.593  11.164   5.064
  163   1HZ   LYS  20          1HZ       LYS  20   4.226  11.840   7.356
  164   2HZ   LYS  20          2HZ       LYS  20   5.546  12.581   6.776
  165   3HZ   LYS  20          3HZ       LYS  20   4.059  13.123   6.332
  166    HA   PRO  21           HA       PRO  21  10.724   6.166   3.861
  167   1HB   PRO  21          1HB       PRO  21  12.805   7.975   3.826
  168   2HB   PRO  21          2HB       PRO  21  12.223   7.109   2.366
  169   1HG   PRO  21          1HG       PRO  21  11.567   9.917   3.293
  170   2HG   PRO  21          2HG       PRO  21  11.988   9.361   1.643
  171   1HD   PRO  21          1HD       PRO  21   9.404   9.754   2.403
  172   2HD   PRO  21          2HD       PRO  21   9.873   8.409   1.319
  173    H    THR  22           H        THR  22  10.177   9.559   4.928
  174    HA   THR  22           HA       THR  22  11.184   9.173   7.601
  175    HB   THR  22           HB       THR  22  10.276  11.612   7.631
  176    HG1  THR  22           HG1      THR  22  10.105  12.442   5.462
  177   1HG2  THR  22          3HG2      THR  22  12.426  10.821   5.606
  178   2HG2  THR  22          1HG2      THR  22  12.208  12.425   6.329
  179   3HG2  THR  22          2HG2      THR  22  12.663  11.054   7.352
  180    H    CYS  23           H        CSN  23   9.330   7.232   7.236
  181    HA   CYS  23           HA       CSN  23   7.334   7.968   9.240
  182   1HB   CYS  23          2HB       CSN  23   6.110   8.124   7.241
  183   2HB   CYS  23          3HB       CSN  23   6.726   6.590   6.616
  184    HA   PRO  24           HA       PRO  24   9.017   3.922  10.446
  185   1HB   PRO  24          1HB       PRO  24   8.126   3.772  12.974
  186   2HB   PRO  24          2HB       PRO  24   9.393   4.943  12.494
  187   1HG   PRO  24          1HG       PRO  24   6.426   5.449  12.770
  188   2HG   PRO  24          2HG       PRO  24   7.760   6.399  13.491
  189   1HD   PRO  24          1HD       PRO  24   6.557   7.086  11.114
  190   2HD   PRO  24          2HD       PRO  24   8.288   7.408  11.436
  191    H    TYR  25           H        TYR  25   5.607   4.960  10.160
  192    HA   TYR  25           HA       TYR  25   4.612   2.237  10.713
  193   1HB   TYR  25          1HB       TYR  25   3.248   4.590   9.346
  194   2HB   TYR  25          2HB       TYR  25   2.548   3.014   9.596
  195    HD1  TYR  25          2HD       TYR  25   2.907   2.226  12.300
  196    HD2  TYR  25          1HD       TYR  25   2.172   6.158  10.652
  197    HE1  TYR  25          2HE       TYR  25   1.777   2.885  14.385
  198    HE2  TYR  25          1HE       TYR  25   1.078   6.838  12.763
  199    HH   TYR  25           HH       TYR  25   0.642   6.241  14.988
  200    H    CYS  26           H        CYS  26   5.586   4.289   7.902
  201    HA   CYS  26           HA       CYS  26   4.849   2.345   5.927
  202   1HB   CYS  26          1HB       CYS  26   6.955   4.548   5.946
  203   2HB   CYS  26          2HB       CYS  26   6.617   3.531   4.556
  204    HG   CYS  26           HG       CYS  26   4.727   5.645   6.233
  205    H    ARG  27           H        ARG  27   7.868   2.832   7.807
  206    HA   ARG  27           HA       ARG  27   9.376   0.698   6.768
  207   1HB   ARG  27          1HB       ARG  27   9.247   1.843   9.566
  208   2HB   ARG  27          2HB       ARG  27  10.261   0.462   9.186
  209   1HG   ARG  27          1HG       ARG  27  11.488   1.706   7.525
  210   2HG   ARG  27          2HG       ARG  27  10.403   3.100   7.707
  211   1HD   ARG  27          1HD       ARG  27  11.142   3.355  10.054
  212   2HD   ARG  27          2HD       ARG  27  12.095   1.867   9.896
  213    HE   ARG  27           HE       ARG  27  12.693   4.154   8.106
  214   1HH1  ARG  27          2HH2      ARG  27  13.785   2.298  10.973
  215   2HH1  ARG  27          1HH2      ARG  27  15.476   2.621  10.640
  216   1HH2  ARG  27          2HH1      ARG  27  14.903   4.696   7.867
  217   2HH2  ARG  27          1HH1      ARG  27  16.100   4.018   8.915
  218    H    ARG  28           H        ARG  28   7.084   0.614   9.525
  219    HA   ARG  28           HA       ARG  28   7.167  -2.131  10.067
  220   1HB   ARG  28          1HB       ARG  28   5.955  -0.444  11.463
  221   2HB   ARG  28          2HB       ARG  28   4.792  -0.212  10.214
  222   1HG   ARG  28          1HG       ARG  28   3.505  -1.751  11.201
  223   2HG   ARG  28          2HG       ARG  28   4.580  -2.957  10.558
  224   1HD   ARG  28          1HD       ARG  28   5.076  -1.648  13.262
  225   2HD   ARG  28          2HD       ARG  28   4.042  -3.064  13.039
  226    HE   ARG  28           HE       ARG  28   6.629  -3.477  11.833
  227   1HH1  ARG  28          2HH2      ARG  28   4.946  -3.535  14.985
  228   2HH1  ARG  28          1HH2      ARG  28   6.009  -4.725  15.645
  229   1HH2  ARG  28          2HH1      ARG  28   7.992  -5.111  12.758
  230   2HH2  ARG  28          1HH1      ARG  28   7.574  -5.780  14.306
  231    H    ALA  29           H        ALA  29   4.845  -0.393   8.058
  232    HA   ALA  29           HA       ALA  29   3.349  -2.581   7.197
  233   1HB   ALA  29          2HB       ALA  29   3.880   0.029   5.733
  234   2HB   ALA  29          3HB       ALA  29   2.664  -1.159   5.236
  235   3HB   ALA  29          1HB       ALA  29   2.512  -0.385   6.824
  236    H    GLN  30           H        GLN  30   6.288  -1.188   5.401
  237    HA   GLN  30           HA       GLN  30   6.283  -2.996   3.395
  238   1HB   GLN  30          1HB       GLN  30   8.295  -1.273   4.875
  239   2HB   GLN  30          2HB       GLN  30   8.982  -2.657   4.013
  240   1HG   GLN  30          1HG       GLN  30   8.959  -1.053   2.340
  241   2HG   GLN  30          2HG       GLN  30   7.510  -2.058   2.135
  242   1HE2  GLN  30          2HE2      GLN  30   7.056   1.928   2.476
  243   2HE2  GLN  30          1HE2      GLN  30   8.630   1.194   2.245
  244    H    GLU  31           H        GLU  31   7.707  -3.470   6.654
  245    HA   GLU  31           HA       GLU  31   8.841  -5.957   5.970
  246   1HB   GLU  31          1HB       GLU  31   9.075  -4.016   7.931
  247   2HB   GLU  31          2HB       GLU  31   8.126  -5.176   8.836
  248   1HG   GLU  31          1HG       GLU  31  10.655  -5.907   7.323
  249   2HG   GLU  31          2HG       GLU  31  10.702  -5.164   8.926
  250    H    ILE  32           H        ILE  32   5.953  -5.058   7.776
  251    HA   ILE  32           HA       ILE  32   4.719  -7.508   8.306
  252    HB   ILE  32           HB       ILE  32   3.891  -4.665   7.757
  253   1HG1  ILE  32          1HG1      ILE  32   3.704  -6.622  10.070
  254   2HG1  ILE  32          2HG1      ILE  32   4.741  -5.211   9.943
  255   1HG2  ILE  32          2HG2      ILE  32   2.060  -5.819   6.644
  256   2HG2  ILE  32          3HG2      ILE  32   1.793  -6.775   8.129
  257   3HG2  ILE  32          1HG2      ILE  32   1.555  -5.013   8.105
  258   1HD1  ILE  32          1HD1      ILE  32   2.563  -3.819   9.947
  259   2HD1  ILE  32          2HD1      ILE  32   1.739  -5.328  10.402
  260   3HD1  ILE  32          3HD1      ILE  32   2.992  -4.661  11.458
  261    H    LEU  33           H        LEU  33   4.418  -5.476   5.348
  262    HA   LEU  33           HA       LEU  33   2.661  -7.343   4.135
  263   1HB   LEU  33          1HB       LEU  33   4.199  -4.940   3.140
  264   2HB   LEU  33          2HB       LEU  33   3.648  -6.065   1.937
  265    HG   LEU  33           HG       LEU  33   1.682  -4.794   3.915
  266   1HD1  LEU  33          2HD1      LEU  33   2.402  -3.939   1.136
  267   2HD1  LEU  33          3HD1      LEU  33   1.076  -3.338   2.115
  268   3HD1  LEU  33          1HD1      LEU  33   2.746  -3.061   2.648
  269   1HD2  LEU  33          1HD2      LEU  33   1.312  -6.234   1.243
  270   2HD2  LEU  33          2HD2      LEU  33   0.915  -6.914   2.829
  271   3HD2  LEU  33          3HD2      LEU  33   0.038  -5.496   2.219
  272    H    SER  34           H        SER  34   6.245  -6.715   3.769
  273    HA   SER  34           HA       SER  34   6.569  -8.685   1.746
  274   1HB   SER  34          1HB       SER  34   8.613  -7.714   3.767
  275   2HB   SER  34          2HB       SER  34   8.949  -8.471   2.198
  276    HG   SER  34           HG       SER  34   7.713  -5.980   2.752
  277    H    GLN  35           H        GLN  35   6.100  -9.237   5.214
  278    HA   GLN  35           HA       GLN  35   7.567 -11.749   5.309
  279   1HB   GLN  35          1HB       GLN  35   5.499 -10.420   7.074
  280   2HB   GLN  35          2HB       GLN  35   5.949 -12.099   7.344
  281   1HG   GLN  35          1HG       GLN  35   8.328 -11.491   7.573
  282   2HG   GLN  35          2HG       GLN  35   7.914  -9.794   7.334
  283   1HE2  GLN  35          2HE2      GLN  35   6.008  -9.636  10.534
  284   2HE2  GLN  35          1HE2      GLN  35   5.598  -9.536   8.856
  285    H    LEU  36           H        LEU  36   4.367 -10.792   4.205
  286    HA   LEU  36           HA       LEU  36   3.318 -13.515   4.160
  287   1HB   LEU  36          1HB       LEU  36   2.415 -10.911   2.890
  288   2HB   LEU  36          2HB       LEU  36   1.499 -12.420   2.856
  289    HG   LEU  36           HG       LEU  36   2.282 -10.893   5.398
  290   1HD1  LEU  36          2HD1      LEU  36   0.730  -9.656   4.029
  291   2HD1  LEU  36          3HD1      LEU  36  -0.378 -11.056   3.954
  292   3HD1  LEU  36          1HD1      LEU  36  -0.059 -10.236   5.504
  293   1HD2  LEU  36          2HD2      LEU  36   0.525 -13.335   4.953
  294   2HD2  LEU  36          3HD2      LEU  36   1.995 -13.236   5.931
  295   3HD2  LEU  36          1HD2      LEU  36   0.547 -12.384   6.460
  296    HA   PRO  37           HA       PRO  37   5.933 -14.322   0.724
  297   1HB   PRO  37          1HB       PRO  37   5.196 -16.827   0.030
  298   2HB   PRO  37          2HB       PRO  37   5.803 -16.443   1.663
  299   1HG   PRO  37          1HG       PRO  37   2.909 -16.646   0.767
  300   2HG   PRO  37          2HG       PRO  37   3.713 -17.489   2.127
  301   1HD   PRO  37          1HD       PRO  37   2.337 -15.156   2.496
  302   2HD   PRO  37          2HD       PRO  37   3.827 -15.529   3.414
  303    H    ILE  38           H        ILE  38   4.601 -12.427  -0.320
  304    HA   ILE  38           HA       ILE  38   2.599 -13.014  -2.286
  305    HB   ILE  38           HB       ILE  38   4.385 -10.634  -1.609
  306   1HG1  ILE  38          1HG1      ILE  38   1.936  -9.585  -1.560
  307   2HG1  ILE  38          2HG1      ILE  38   1.399 -11.255  -1.511
  308   1HG2  ILE  38          3HG2      ILE  38   2.553 -10.716  -4.022
  309   2HG2  ILE  38          1HG2      ILE  38   3.204  -9.233  -3.295
  310   3HG2  ILE  38          2HG2      ILE  38   4.310 -10.394  -3.969
  311   1HD1  ILE  38          3HD1      ILE  38   3.454 -10.122   0.429
  312   2HD1  ILE  38          1HD1      ILE  38   1.721  -9.973   0.698
  313   3HD1  ILE  38          2HD1      ILE  38   2.451 -11.590   0.589
  314    H    LYS  39           H        LYS  39   2.702 -13.370  -4.513
  315    HA   LYS  39           HA       LYS  39   4.673 -14.517  -5.856
  316   1HB   LYS  39          1HB       LYS  39   2.349 -12.909  -6.626
  317   2HB   LYS  39          2HB       LYS  39   3.608 -12.978  -7.861
  318   1HG   LYS  39          1HG       LYS  39   2.769 -15.555  -6.557
  319   2HG   LYS  39          2HG       LYS  39   1.680 -14.812  -7.724
  320   1HD   LYS  39          1HD       LYS  39   4.625 -15.198  -8.343
  321   2HD   LYS  39          2HD       LYS  39   3.491 -16.545  -8.475
  322   1HE   LYS  39          1HE       LYS  39   2.167 -15.463 -10.130
  323   2HE   LYS  39          2HE       LYS  39   2.977 -13.905  -9.906
  324   1HZ   LYS  39          1HZ       LYS  39   4.460 -16.279 -10.797
  325   2HZ   LYS  39          2HZ       LYS  39   3.678 -15.361 -11.880
  326   3HZ   LYS  39          3HZ       LYS  39   4.890 -14.710 -10.974
  327    H    GLN  40           H        GLN  40   6.691 -13.949  -6.604
  328    HA   GLN  40           HA       GLN  40   7.868 -11.606  -5.617
  329   1HB   GLN  40          1HB       GLN  40   8.950 -13.832  -6.289
  330   2HB   GLN  40          2HB       GLN  40   8.911 -13.263  -7.955
  331   1HG   GLN  40          1HG       GLN  40  11.115 -12.861  -7.029
  332   2HG   GLN  40          2HG       GLN  40  10.329 -11.318  -7.313
  333   1HE2  GLN  40          2HE2      GLN  40  10.127 -12.207  -3.280
  334   2HE2  GLN  40          1HE2      GLN  40   9.394 -13.258  -4.437
  335    H    GLY  41           H        GLY  41   7.982  -9.512  -6.357
  336   1HA   GLY  41          1HA       GLY  41   8.221  -7.849  -7.940
  337   2HA   GLY  41          2HA       GLY  41   7.731  -8.946  -9.228
  338    H    LEU  42           H        LEU  42   5.299  -9.439  -6.852
  339    HA   LEU  42           HA       LEU  42   3.546  -7.613  -8.230
  340   1HB   LEU  42          1HB       LEU  42   3.124  -9.271  -5.763
  341   2HB   LEU  42          2HB       LEU  42   1.930  -8.265  -6.516
  342    HG   LEU  42           HG       LEU  42   3.097 -10.820  -7.588
  343   1HD1  LEU  42          2HD1      LEU  42   1.188 -10.787  -5.949
  344   2HD1  LEU  42          3HD1      LEU  42   0.265  -9.831  -7.138
  345   3HD1  LEU  42          1HD1      LEU  42   0.781 -11.473  -7.540
  346   1HD2  LEU  42          3HD2      LEU  42   1.376  -8.805  -9.072
  347   2HD2  LEU  42          1HD2      LEU  42   2.978  -9.430  -9.565
  348   3HD2  LEU  42          2HD2      LEU  42   1.575 -10.510  -9.528
  349    H    LEU  43           H        LEU  43   5.504  -7.515  -5.280
  350    HA   LEU  43           HA       LEU  43   3.685  -5.592  -4.015
  351   1HB   LEU  43          1HB       LEU  43   5.113  -7.661  -2.932
  352   2HB   LEU  43          2HB       LEU  43   6.240  -6.361  -2.707
  353    HG   LEU  43           HG       LEU  43   5.226  -6.174  -0.720
  354   1HD1  LEU  43          3HD1      LEU  43   4.571  -4.030  -1.799
  355   2HD1  LEU  43          1HD1      LEU  43   3.006  -4.717  -2.219
  356   3HD1  LEU  43          2HD1      LEU  43   3.465  -4.541  -0.530
  357   1HD2  LEU  43          3HD2      LEU  43   2.726  -7.402  -1.890
  358   2HD2  LEU  43          1HD2      LEU  43   3.924  -8.127  -0.820
  359   3HD2  LEU  43          2HD2      LEU  43   2.878  -6.857  -0.200
  360    H    GLU  44           H        GLU  44   3.949  -3.399  -4.456
  361    HA   GLU  44           HA       GLU  44   6.701  -2.438  -4.941
  362   1HB   GLU  44          1HB       GLU  44   5.345  -2.524  -7.043
  363   2HB   GLU  44          2HB       GLU  44   4.209  -1.374  -6.298
  364   1HG   GLU  44          1HG       GLU  44   6.133   0.196  -5.909
  365   2HG   GLU  44          2HG       GLU  44   7.220  -0.951  -6.675
  366    H    PHE  45           H        PHE  45   7.263  -0.743  -3.726
  367    HA   PHE  45           HA       PHE  45   5.203   0.624  -2.077
  368   1HB   PHE  45          1HB       PHE  45   8.129   0.529  -1.326
  369   2HB   PHE  45          2HB       PHE  45   6.740   0.900  -0.345
  370    HD1  PHE  45          2HD       PHE  45   4.977  -1.015   0.032
  371    HD2  PHE  45          1HD       PHE  45   9.081  -1.679  -1.070
  372    HE1  PHE  45          2HE       PHE  45   4.828  -3.321   0.903
  373    HE2  PHE  45          1HE       PHE  45   8.933  -3.997  -0.187
  374    HZ   PHE  45           HZ       PHE  45   6.790  -4.837   0.760
  375    H    VAL  46           H        VAL  46   5.148   2.868  -2.364
  376    HA   VAL  46           HA       VAL  46   6.874   3.981  -4.481
  377    HB   VAL  46           HB       VAL  46   3.871   4.169  -4.167
  378   1HG1  VAL  46          3HG1      VAL  46   5.797   5.220  -6.265
  379   2HG1  VAL  46          1HG1      VAL  46   4.022   5.206  -6.423
  380   3HG1  VAL  46          2HG1      VAL  46   4.782   6.167  -5.155
  381   1HG2  VAL  46          2HG2      VAL  46   5.527   2.611  -6.202
  382   2HG2  VAL  46          3HG2      VAL  46   4.465   1.909  -4.958
  383   3HG2  VAL  46          1HG2      VAL  46   3.765   2.847  -6.268
  384    H    ASP  47           H        ASP  47   7.992   5.569  -3.608
  385    HA   ASP  47           HA       ASP  47   7.352   6.904  -1.186
  386   1HB   ASP  47          1HB       ASP  47   9.607   6.474  -2.157
  387   2HB   ASP  47          2HB       ASP  47   9.314   7.749  -3.338
  388    H    ILE  48           H        ILE  48   5.971   8.541  -0.829
  389    HA   ILE  48           HA       ILE  48   4.750  10.117  -2.975
  390    HB   ILE  48           HB       ILE  48   3.561  11.279  -1.223
  391   1HG1  ILE  48          1HG1      ILE  48   4.834   9.547   0.907
  392   2HG1  ILE  48          2HG1      ILE  48   5.237  11.219   0.621
  393   1HG2  ILE  48          2HG2      ILE  48   2.881   9.003  -2.210
  394   2HG2  ILE  48          3HG2      ILE  48   3.509   8.246  -0.746
  395   3HG2  ILE  48          1HG2      ILE  48   2.146   9.374  -0.646
  396   1HD1  ILE  48          1HD1      ILE  48   2.764  11.784   0.983
  397   2HD1  ILE  48          2HD1      ILE  48   2.526  10.114   1.469
  398   3HD1  ILE  48          3HD1      ILE  48   3.610  11.139   2.411
  399    H    THR  49           H        THR  49   7.603  10.423  -1.063
  400    HA   THR  49           HA       THR  49   7.699  13.348  -1.360
  401    HB   THR  49           HB       THR  49   9.535  13.281   0.103
  402    HG1  THR  49           HG1      THR  49   9.596  10.444  -0.228
  403   1HG2  THR  49          3HG2      THR  49   7.372  12.867   1.256
  404   2HG2  THR  49          1HG2      THR  49   7.657  11.114   1.153
  405   3HG2  THR  49          2HG2      THR  49   8.736  12.137   2.101
  406    H    ALA  50           H        ALA  50   8.311  10.746  -3.354
  407    HA   ALA  50           HA       ALA  50  10.833  11.006  -4.383
  408   1HB   ALA  50          3HB       ALA  50   9.256   9.239  -5.031
  409   2HB   ALA  50          1HB       ALA  50   8.275  10.407  -5.938
  410   3HB   ALA  50          2HB       ALA  50   9.933  10.029  -6.457
  411    H    THR  51           H        THR  51   7.962  12.711  -5.751
  412    HA   THR  51           HA       THR  51   9.521  15.116  -5.947
  413    HB   THR  51           HB       THR  51   9.859  13.580  -8.124
  414    HG1  THR  51           HG1      THR  51  10.046  16.392  -7.956
  415   1HG2  THR  51          3HG2      THR  51   7.939  15.799  -8.836
  416   2HG2  THR  51          1HG2      THR  51   8.973  14.886  -9.965
  417   3HG2  THR  51          2HG2      THR  51   7.694  14.033  -9.064
  418    H    ASN  52           H        ASN  52   6.537  13.996  -7.526
  419    HA   ASN  52           HA       ASN  52   5.273  16.118  -7.965
  420   1HB   ASN  52          1HB       ASN  52   4.199  14.108  -8.490
  421   2HB   ASN  52          2HB       ASN  52   3.947  13.675  -6.793
  422   1HD2  ASN  52          2HD2      ASN  52   0.752  15.218  -6.791
  423   2HD2  ASN  52          1HD2      ASN  52   1.757  13.897  -6.230
  424    H    HIS  53           H        HIS  53   3.773  14.951  -4.938
  425    HA   HIS  53           HA       HIS  53   4.476  17.226  -3.352
  426   1HB   HIS  53          1HB       HIS  53   1.741  17.184  -4.656
  427   2HB   HIS  53          2HB       HIS  53   1.992  17.837  -3.028
  428    HD1  HIS  53          1HD       HIS  53   2.047  19.046  -6.502
  429    HD2  HIS  53          2HD       HIS  53   4.108  19.768  -2.887
  430    HE1  HIS  53          1HE       HIS  53   3.322  21.231  -6.806
  431    H    THR  54           H        THR  54   5.019  15.619  -1.810
  432    HA   THR  54           HA       THR  54   3.603  13.331  -1.216
  433    HB   THR  54           HB       THR  54   5.531  13.248  -0.033
  434    HG1  THR  54           HG1      THR  54   3.979  12.836   1.572
  435   1HG2  THR  54          1HG2      THR  54   5.046  16.050   0.917
  436   2HG2  THR  54          2HG2      THR  54   6.385  14.991   1.418
  437   3HG2  THR  54          3HG2      THR  54   6.247  15.478  -0.288
  438    H    ASN  55           H        ASN  55   3.391  16.316   0.536
  439    HA   ASN  55           HA       ASN  55   1.129  15.716   2.089
  440   1HB   ASN  55          1HB       ASN  55   3.009  17.671   2.173
  441   2HB   ASN  55          2HB       ASN  55   1.618  18.579   1.588
  442   1HD2  ASN  55          2HD2      ASN  55   0.292  18.677   4.887
  443   2HD2  ASN  55          1HD2      ASN  55   0.216  19.318   3.241
  444    H    GLU  56           H        GLU  56   1.000  16.333  -1.329
  445    HA   GLU  56           HA       GLU  56  -1.850  17.062  -1.065
  446   1HB   GLU  56          1HB       GLU  56  -1.912  17.850  -3.076
  447   2HB   GLU  56          2HB       GLU  56  -0.169  17.961  -2.994
  448   1HG   GLU  56          1HG       GLU  56  -0.045  15.684  -3.973
  449   2HG   GLU  56          2HG       GLU  56  -1.794  15.607  -4.062
  450    H    ILE  57           H        ILE  57   0.429  14.425  -1.783
  451    HA   ILE  57           HA       ILE  57  -1.551  12.796  -3.009
  452    HB   ILE  57           HB       ILE  57   1.288  12.308  -1.969
  453   1HG1  ILE  57          1HG1      ILE  57   0.249  11.716  -4.779
  454   2HG1  ILE  57          2HG1      ILE  57   0.659  13.372  -4.323
  455   1HG2  ILE  57          1HG2      ILE  57  -0.767  10.292  -2.976
  456   2HG2  ILE  57          2HG2      ILE  57   0.967   9.943  -3.027
  457   3HG2  ILE  57          3HG2      ILE  57   0.171  10.246  -1.486
  458   1HD1  ILE  57          1HD1      ILE  57   2.583  11.016  -4.157
  459   2HD1  ILE  57          2HD1      ILE  57   2.551  12.252  -5.421
  460   3HD1  ILE  57          3HD1      ILE  57   2.951  12.704  -3.752
  461    H    GLN  58           H        GLN  58  -0.082  12.806   0.203
  462    HA   GLN  58           HA       GLN  58  -1.564  10.665   1.310
  463   1HB   GLN  58          1HB       GLN  58  -0.953  11.546   3.468
  464   2HB   GLN  58          2HB       GLN  58   0.359  11.481   2.301
  465   1HG   GLN  58          1HG       GLN  58   0.810  13.396   3.377
  466   2HG   GLN  58          2HG       GLN  58   0.086  13.914   1.898
  467   1HE2  GLN  58          2HE2      GLN  58  -2.850  14.381   4.657
  468   2HE2  GLN  58          1HE2      GLN  58  -2.244  12.758   4.416
  469    H    ASP  59           H        ASP  59  -2.186  14.048   1.213
  470    HA   ASP  59           HA       ASP  59  -4.696  14.280   2.455
  471   1HB   ASP  59          1HB       ASP  59  -3.133  16.070   1.405
  472   2HB   ASP  59          2HB       ASP  59  -4.051  15.874  -0.060
  473    H    TYR  60           H        TYR  60  -4.128  14.009  -0.956
  474    HA   TYR  60           HA       TYR  60  -6.715  13.627  -1.950
  475   1HB   TYR  60          1HB       TYR  60  -4.651  14.153  -3.213
  476   2HB   TYR  60          2HB       TYR  60  -4.105  12.493  -3.015
  477    HD1  TYR  60          2HD       TYR  60  -5.726  10.630  -4.072
  478    HD2  TYR  60          1HD       TYR  60  -5.522  14.785  -5.308
  479    HE1  TYR  60          2HE       TYR  60  -6.789  10.070  -6.230
  480    HE2  TYR  60          1HE       TYR  60  -6.592  14.188  -7.421
  481    HH   TYR  60           HH       TYR  60  -7.963  11.019  -8.061
  482    H    LEU  61           H        LEU  61  -4.601  11.169  -0.418
  483    HA   LEU  61           HA       LEU  61  -6.104   8.873  -1.283
  484   1HB   LEU  61          1HB       LEU  61  -4.485   9.333   1.241
  485   2HB   LEU  61          2HB       LEU  61  -5.338   7.862   0.914
  486    HG   LEU  61           HG       LEU  61  -3.007   8.912  -0.776
  487   1HD1  LEU  61          2HD1      LEU  61  -3.380   6.870   1.453
  488   2HD1  LEU  61          3HD1      LEU  61  -2.044   6.746   0.299
  489   3HD1  LEU  61          1HD1      LEU  61  -2.256   8.183   1.367
  490   1HD2  LEU  61          3HD2      LEU  61  -4.936   6.560  -1.023
  491   2HD2  LEU  61          1HD2      LEU  61  -4.396   7.722  -2.246
  492   3HD2  LEU  61          2HD2      LEU  61  -3.276   6.486  -1.675
  493    H    GLN  62           H        GLN  62  -6.776  11.324   1.215
  494    HA   GLN  62           HA       GLN  62  -8.742   9.809   2.609
  495   1HB   GLN  62          1HB       GLN  62  -7.643  12.167   3.113
  496   2HB   GLN  62          2HB       GLN  62  -9.011  12.786   2.203
  497   1HG   GLN  62          1HG       GLN  62 -10.529  11.478   3.756
  498   2HG   GLN  62          2HG       GLN  62  -9.112  11.027   4.703
  499   1HE2  GLN  62          2HE2      GLN  62 -10.486  14.970   4.774
  500   2HE2  GLN  62          1HE2      GLN  62 -11.001  13.843   3.546
  501    H    GLN  63           H        GLN  63  -8.792  11.701  -0.364
  502    HA   GLN  63           HA       GLN  63 -11.654  11.477  -0.774
  503   1HB   GLN  63          1HB       GLN  63  -9.761  13.229  -1.674
  504   2HB   GLN  63          2HB       GLN  63  -9.738  12.097  -3.018
  505   1HG   GLN  63          1HG       GLN  63 -11.371  13.545  -3.730
  506   2HG   GLN  63          2HG       GLN  63 -12.383  12.367  -2.900
  507   1HE2  GLN  63          2HE2      GLN  63 -13.325  14.722  -0.312
  508   2HE2  GLN  63          1HE2      GLN  63 -13.154  13.018  -0.541
  509    H    LEU  64           H        LEU  64  -8.720   9.980  -2.167
  510    HA   LEU  64           HA       LEU  64 -10.182   8.488  -4.137
  511   1HB   LEU  64          1HB       LEU  64  -8.080   9.160  -4.773
  512   2HB   LEU  64          2HB       LEU  64  -7.338   8.700  -3.254
  513    HG   LEU  64           HG       LEU  64  -7.528   6.277  -3.892
  514   1HD1  LEU  64          1HD1      LEU  64  -9.321   6.563  -5.664
  515   2HD1  LEU  64          2HD1      LEU  64  -8.160   7.438  -6.661
  516   3HD1  LEU  64          3HD1      LEU  64  -7.891   5.724  -6.271
  517   1HD2  LEU  64          3HD2      LEU  64  -5.429   7.600  -4.199
  518   2HD2  LEU  64          1HD2      LEU  64  -5.618   6.327  -5.409
  519   3HD2  LEU  64          2HD2      LEU  64  -5.951   8.009  -5.845
  520    H    THR  65           H        THR  65  -8.945   7.526  -0.861
  521    HA   THR  65           HA       THR  65 -10.519   5.036  -1.234
  522    HB   THR  65           HB       THR  65  -9.032   3.889   0.229
  523    HG1  THR  65           HG1      THR  65  -7.948   4.937   1.609
  524   1HG2  THR  65          2HG2      THR  65  -8.409   4.237  -2.225
  525   2HG2  THR  65          3HG2      THR  65  -7.157   5.358  -1.606
  526   3HG2  THR  65          1HG2      THR  65  -7.206   3.649  -1.083
  527    H    GLY  66           H        GLY  66  -9.329   7.232   1.371
  528   1HA   GLY  66          1HA       GLY  66 -11.832   7.874   2.452
  529   2HA   GLY  66          2HA       GLY  66 -11.407   6.311   3.145
  530    H    ALA  67           H        ALA  67  -8.467   6.864   3.302
  531    HA   ALA  67           HA       ALA  67  -8.579   8.753   5.604
  532   1HB   ALA  67          2HB       ALA  67  -8.312   6.405   6.330
  533   2HB   ALA  67          3HB       ALA  67  -6.893   6.243   5.261
  534   3HB   ALA  67          1HB       ALA  67  -6.844   7.346   6.639
  535    H    ARG  68           H        ARG  68  -6.807  10.077   5.909
  536    HA   ARG  68           HA       ARG  68  -5.488  10.811   3.389
  537   1HB   ARG  68          1HB       ARG  68  -5.175  12.906   4.293
  538   2HB   ARG  68          2HB       ARG  68  -6.675  12.390   5.036
  539   1HG   ARG  68          1HG       ARG  68  -4.890  11.589   6.976
  540   2HG   ARG  68          2HG       ARG  68  -4.023  12.945   6.248
  541   1HD   ARG  68          1HD       ARG  68  -6.206  14.297   6.456
  542   2HD   ARG  68          2HD       ARG  68  -6.839  12.972   7.427
  543    HE   ARG  68           HE       ARG  68  -5.659  13.722   9.211
  544   1HH1  ARG  68          2HH2      ARG  68  -4.408  15.515   6.344
  545   2HH1  ARG  68          1HH2      ARG  68  -3.376  16.496   7.338
  546   1HH2  ARG  68          2HH1      ARG  68  -4.385  15.153  10.392
  547   2HH2  ARG  68          1HH1      ARG  68  -3.345  16.305   9.572
  548    H    THR  69           H        THR  69  -4.628   8.357   5.066
  549    HA   THR  69           HA       THR  69  -2.103   9.324   6.226
  550    HB   THR  69           HB       THR  69  -2.380   7.182   7.544
  551    HG1  THR  69           HG1      THR  69  -4.519   6.359   7.576
  552   1HG2  THR  69          3HG2      THR  69  -2.982   9.442   8.408
  553   2HG2  THR  69          1HG2      THR  69  -4.631   9.226   7.779
  554   3HG2  THR  69          2HG2      THR  69  -4.007   8.170   9.065
  555    H    VAL  70           H        VAL  70  -0.313   7.917   6.272
  556    HA   VAL  70           HA       VAL  70  -0.051   5.956   4.166
  557    HB   VAL  70           HB       VAL  70   2.348   6.995   4.090
  558   1HG1  VAL  70          3HG1      VAL  70   0.611   6.856   2.297
  559   2HG1  VAL  70          1HG1      VAL  70  -0.001   8.446   2.809
  560   3HG1  VAL  70          2HG1      VAL  70   1.669   8.273   2.183
  561   1HG2  VAL  70          3HG2      VAL  70   1.891   8.807   5.895
  562   2HG2  VAL  70          1HG2      VAL  70   2.346   9.513   4.327
  563   3HG2  VAL  70          2HG2      VAL  70   0.673   9.518   4.833
  564    HA   PRO  71           HA       PRO  71   1.715   4.406   3.782
  565   1HB   PRO  71          1HB       PRO  71   1.617   1.680   4.305
  566   2HB   PRO  71          2HB       PRO  71   3.097   2.634   4.596
  567   1HG   PRO  71          1HG       PRO  71   0.949   1.876   6.588
  568   2HG   PRO  71          2HG       PRO  71   2.723   1.771   6.778
  569   1HD   PRO  71          1HD       PRO  71   1.306   3.842   7.793
  570   2HD   PRO  71          2HD       PRO  71   2.958   4.060   7.135
  571    H    ARG  72           H        ARG  72   0.088   3.352   2.381
  572    HA   ARG  72           HA       ARG  72  -2.371   2.330   3.659
  573   1HB   ARG  72          1HB       ARG  72  -2.770   4.724   3.555
  574   2HB   ARG  72          2HB       ARG  72  -2.306   4.809   1.879
  575   1HG   ARG  72          1HG       ARG  72  -4.514   2.869   2.435
  576   2HG   ARG  72          2HG       ARG  72  -4.893   4.514   2.934
  577   1HD   ARG  72          1HD       ARG  72  -5.556   3.921   0.564
  578   2HD   ARG  72          2HD       ARG  72  -4.643   5.388   0.765
  579    HE   ARG  72           HE       ARG  72  -2.596   3.869   0.293
  580   1HH1  ARG  72          2HH2      ARG  72  -5.606   3.737  -1.426
  581   2HH1  ARG  72          1HH2      ARG  72  -5.053   2.744  -2.728
  582   1HH2  ARG  72          2HH1      ARG  72  -1.813   2.390  -1.190
  583   2HH2  ARG  72          1HH1      ARG  72  -2.740   1.930  -2.577
  584    H    VAL  73           H        VAL  73  -3.120   0.621   2.466
  585    HA   VAL  73           HA       VAL  73  -1.305  -0.175   0.254
  586    HB   VAL  73           HB       VAL  73  -2.924  -1.657   2.334
  587   1HG1  VAL  73          1HG1      VAL  73  -1.266  -2.862   0.074
  588   2HG1  VAL  73          2HG1      VAL  73  -1.859  -3.757   1.489
  589   3HG1  VAL  73          3HG1      VAL  73  -3.001  -3.056   0.360
  590   1HG2  VAL  73          2HG2      VAL  73   0.073  -1.373   2.045
  591   2HG2  VAL  73          3HG2      VAL  73  -0.954  -0.736   3.353
  592   3HG2  VAL  73          1HG2      VAL  73  -0.739  -2.467   3.155
  593    H    PHE  74           H        PHE  74  -2.083  -0.580  -1.744
  594    HA   PHE  74           HA       PHE  74  -4.969  -1.084  -2.169
  595   1HB   PHE  74          1HB       PHE  74  -2.736  -0.250  -4.059
  596   2HB   PHE  74          2HB       PHE  74  -4.140  -1.114  -4.633
  597    HD1  PHE  74          1HD       PHE  74  -6.467   0.040  -3.482
  598    HD2  PHE  74          2HD       PHE  74  -2.853   2.002  -4.744
  599    HE1  PHE  74          1HE       PHE  74  -7.757   2.067  -3.985
  600    HE2  PHE  74          2HE       PHE  74  -4.166   4.073  -5.206
  601    HZ   PHE  74           HZ       PHE  74  -6.629   4.087  -4.878
  602    H    ILE  75           H        ILE  75  -5.391  -3.262  -2.329
  603    HA   ILE  75           HA       ILE  75  -3.245  -5.067  -3.304
  604    HB   ILE  75           HB       ILE  75  -5.063  -5.407  -1.013
  605   1HG1  ILE  75          1HG1      ILE  75  -3.572  -7.526  -0.760
  606   2HG1  ILE  75          2HG1      ILE  75  -2.613  -6.812  -2.073
  607   1HG2  ILE  75          3HG2      ILE  75  -5.011  -7.549  -3.162
  608   2HG2  ILE  75          1HG2      ILE  75  -5.580  -7.816  -1.528
  609   3HG2  ILE  75          2HG2      ILE  75  -6.459  -6.696  -2.554
  610   1HD1  ILE  75          3HD1      ILE  75  -2.146  -4.930  -0.615
  611   2HD1  ILE  75          1HD1      ILE  75  -3.099  -5.684   0.693
  612   3HD1  ILE  75          2HD1      ILE  75  -1.627  -6.460   0.098
  613    H    GLY  76           H        GLY  76  -3.573  -5.187  -5.455
  614   1HA   GLY  76          1HA       GLY  76  -4.582  -5.164  -7.497
  615   2HA   GLY  76          2HA       GLY  76  -5.896  -6.050  -6.710
  616    H    LYS  77           H        LYS  77  -4.700  -2.659  -6.708
  617    HA   LYS  77           HA       LYS  77  -5.630  -0.696  -6.486
  618   1HB   LYS  77          1HB       LYS  77  -6.395  -1.691  -8.973
  619   2HB   LYS  77          2HB       LYS  77  -7.925  -1.130  -8.291
  620   1HG   LYS  77          1HG       LYS  77  -6.454   1.000  -7.620
  621   2HG   LYS  77          2HG       LYS  77  -5.391   0.389  -8.884
  622   1HD   LYS  77          1HD       LYS  77  -8.298   1.212  -9.218
  623   2HD   LYS  77          2HD       LYS  77  -6.866   2.113  -9.743
  624   1HE   LYS  77          1HE       LYS  77  -6.265   0.074 -11.188
  625   2HE   LYS  77          2HE       LYS  77  -7.893  -0.539 -10.833
  626   1HZ   LYS  77          3HZ       LYS  77  -8.754   1.551 -11.798
  627   2HZ   LYS  77          1HZ       LYS  77  -7.215   1.993 -12.183
  628   3HZ   LYS  77          2HZ       LYS  77  -7.886   0.671 -12.886
  629    H    ASP  78           H        ASP  78  -7.335  -3.143  -5.011
  630    HA   ASP  78           HA       ASP  78  -9.528  -1.339  -4.125
  631   1HB   ASP  78          1HB       ASP  78  -9.915  -3.792  -4.799
  632   2HB   ASP  78          2HB       ASP  78  -9.087  -4.220  -3.292
  633    H    CYS  79           H        CYS  79  -9.595  -0.734  -1.815
  634    HA   CYS  79           HA       CYS  79  -6.831  -0.701  -0.743
  635   1HB   CYS  79          1HB       CYS  79  -7.764   1.473  -1.420
  636   2HB   CYS  79          2HB       CYS  79  -8.969   1.355  -0.133
  637    HG   CYS  79           HG       CYS  79  -5.731   0.819   0.307
  638    H    ILE  80           H        ILE  80  -6.324  -1.737   1.024
  639    HA   ILE  80           HA       ILE  80  -8.395  -3.187   2.452
  640    HB   ILE  80           HB       ILE  80  -6.693  -4.511   3.232
  641   1HG1  ILE  80          1HG1      ILE  80  -4.180  -3.718   2.738
  642   2HG1  ILE  80          2HG1      ILE  80  -4.919  -2.119   2.879
  643   1HG2  ILE  80          2HG2      ILE  80  -6.981  -4.493   0.678
  644   2HG2  ILE  80          3HG2      ILE  80  -5.461  -3.596   0.606
  645   3HG2  ILE  80          1HG2      ILE  80  -5.494  -5.220   1.321
  646   1HD1  ILE  80          2HD1      ILE  80  -5.799  -2.943   5.187
  647   2HD1  ILE  80          3HD1      ILE  80  -4.731  -4.326   4.948
  648   3HD1  ILE  80          1HD1      ILE  80  -4.066  -2.676   5.020
  649    H    GLY  81           H        GLY  81  -6.584  -0.267   2.943
  650   1HA   GLY  81          1HA       GLY  81  -7.602   1.149   4.813
  651   2HA   GLY  81          2HA       GLY  81  -7.227  -0.243   5.832
  652    H    GLY  82           H        GLY  82  -5.969   1.248   6.995
  653   1HA   GLY  82          1HA       GLY  82  -3.395   2.205   5.812
  654   2HA   GLY  82          2HA       GLY  82  -4.153   2.780   7.316
  655    H    CYS  83           H        CYS  83  -1.990   2.311   8.393
  656    HA   CYS  83           HA       CYS  83  -0.927  -0.370   8.237
  657   1HB   CYS  83          1HB       CYS  83   0.389   0.483  10.332
  658   2HB   CYS  83          2HB       CYS  83   0.792   1.077   8.723
  659    HG   CYS  83           HG       CYS  83   0.916   2.974  10.628
  660    H    SER  84           H        SER  84  -3.176   1.347  10.443
  661    HA   SER  84           HA       SER  84  -2.974  -0.547  12.485
  662   1HB   SER  84          1HB       SER  84  -5.367   1.171  11.720
  663   2HB   SER  84          2HB       SER  84  -5.230   0.253  13.229
  664    HG   SER  84           HG       SER  84  -3.617   2.440  12.351
  665    H    ASP  85           H        ASP  85  -5.084  -0.447   9.645
  666    HA   ASP  85           HA       ASP  85  -6.610  -2.849  10.129
  667   1HB   ASP  85          1HB       ASP  85  -5.802  -1.394   7.522
  668   2HB   ASP  85          2HB       ASP  85  -7.050  -2.621   7.645
  669    H    LEU  86           H        LEU  86  -3.795  -2.052   8.073
  670    HA   LEU  86           HA       LEU  86  -3.313  -4.519   6.973
  671   1HB   LEU  86          1HB       LEU  86  -2.217  -2.312   6.420
  672   2HB   LEU  86          2HB       LEU  86  -1.247  -2.492   7.887
  673    HG   LEU  86           HG       LEU  86  -0.279  -4.603   6.924
  674   1HD1  LEU  86          1HD1      LEU  86  -1.899  -3.758   4.487
  675   2HD1  LEU  86          2HD1      LEU  86  -0.549  -4.920   4.448
  676   3HD1  LEU  86          3HD1      LEU  86  -1.996  -5.281   5.377
  677   1HD2  LEU  86          1HD2      LEU  86   0.836  -2.422   6.849
  678   2HD2  LEU  86          2HD2      LEU  86   1.218  -3.357   5.416
  679   3HD2  LEU  86          3HD2      LEU  86   0.033  -2.033   5.318
  680    H    VAL  87           H        VAL  87  -2.167  -3.379  10.243
  681    HA   VAL  87           HA       VAL  87  -0.600  -5.626  10.832
  682    HB   VAL  87           HB       VAL  87  -2.104  -3.478  12.368
  683   1HG1  VAL  87          1HG1      VAL  87  -0.385  -5.690  13.521
  684   2HG1  VAL  87          2HG1      VAL  87  -0.870  -4.205  14.394
  685   3HG1  VAL  87          3HG1      VAL  87  -2.105  -5.353  13.855
  686   1HG2  VAL  87          2HG2      VAL  87   0.080  -2.982  11.051
  687   2HG2  VAL  87          3HG2      VAL  87   0.006  -2.492  12.749
  688   3HG2  VAL  87          1HG2      VAL  87   0.884  -3.960  12.288
  689    H    SER  88           H        SER  88  -4.150  -4.984  11.678
  690    HA   SER  88           HA       SER  88  -4.583  -7.606  12.639
  691   1HB   SER  88          1HB       SER  88  -6.940  -7.309  11.743
  692   2HB   SER  88          2HB       SER  88  -6.377  -6.329  13.101
  693    HG   SER  88           HG       SER  88  -6.037  -5.168  10.591
  694    H    LEU  89           H        LEU  89  -5.065  -6.479   9.246
  695    HA   LEU  89           HA       LEU  89  -5.926  -9.003   8.370
  696   1HB   LEU  89          1HB       LEU  89  -4.623  -6.691   6.876
  697   2HB   LEU  89          2HB       LEU  89  -5.222  -8.157   6.126
  698    HG   LEU  89           HG       LEU  89  -7.485  -7.717   7.087
  699   1HD1  LEU  89          3HD1      LEU  89  -6.410  -4.889   7.287
  700   2HD1  LEU  89          1HD1      LEU  89  -8.122  -5.345   7.349
  701   3HD1  LEU  89          2HD1      LEU  89  -7.061  -5.882   8.634
  702   1HD2  LEU  89          3HD2      LEU  89  -6.243  -5.981   4.933
  703   2HD2  LEU  89          1HD2      LEU  89  -7.040  -7.567   4.735
  704   3HD2  LEU  89          2HD2      LEU  89  -7.982  -6.137   5.172
  705    H    GLN  90           H        GLN  90  -2.550  -7.787   8.874
  706    HA   GLN  90           HA       GLN  90  -1.376 -10.088   7.589
  707   1HB   GLN  90          1HB       GLN  90  -0.208  -7.901   7.980
  708   2HB   GLN  90          2HB       GLN  90  -0.241  -8.195   9.702
  709   1HG   GLN  90          1HG       GLN  90   0.927 -10.512   8.361
  710   2HG   GLN  90          2HG       GLN  90   1.696  -9.066   7.758
  711   1HE2  GLN  90          2HE2      GLN  90   3.507 -10.503  10.804
  712   2HE2  GLN  90          1HE2      GLN  90   2.869 -11.213   9.346
  713    H    GLN  91           H        GLN  91  -1.966  -9.198  11.084
  714    HA   GLN  91           HA       GLN  91  -0.739 -11.452  12.169
  715   1HB   GLN  91          1HB       GLN  91  -1.935  -8.970  12.980
  716   2HB   GLN  91          2HB       GLN  91  -2.792 -10.180  13.872
  717   1HG   GLN  91          1HG       GLN  91   0.223 -10.214  13.728
  718   2HG   GLN  91          2HG       GLN  91  -0.616  -9.037  14.720
  719   1HE2  GLN  91          2HE2      GLN  91  -0.960 -11.395  17.344
  720   2HE2  GLN  91          1HE2      GLN  91  -0.813  -9.700  16.875
  721    H    SER  92           H        SER  92  -4.232 -10.644  11.936
  722    HA   SER  92           HA       SER  92  -5.184 -13.256  12.754
  723   1HB   SER  92          1HB       SER  92  -6.232 -10.689  12.523
  724   2HB   SER  92          2HB       SER  92  -6.928 -11.484  11.111
  725    HG   SER  92           HG       SER  92  -7.901 -12.976  12.460
  726    H    GLY  93           H        GLY  93  -3.888 -11.902   9.845
  727   1HA   GLY  93          1HA       GLY  93  -3.331 -12.950   7.952
  728   2HA   GLY  93          2HA       GLY  93  -4.185 -14.409   8.476
  729    H    GLU  94           H        GLU  94  -6.217 -11.432   8.457
  730    HA   GLU  94           HA       GLU  94  -7.778 -12.672   6.386
  731   1HB   GLU  94          1HB       GLU  94  -8.650 -11.236   8.188
  732   2HB   GLU  94          2HB       GLU  94  -7.926  -9.827   7.413
  733   1HG   GLU  94          1HG       GLU  94  -9.351 -10.096   5.461
  734   2HG   GLU  94          2HG       GLU  94  -9.877 -11.694   5.997
  735    H    LEU  95           H        LEU  95  -4.984 -10.592   6.287
  736    HA   LEU  95           HA       LEU  95  -5.323  -9.559   3.631
  737   1HB   LEU  95          1HB       LEU  95  -3.440  -8.943   5.511
  738   2HB   LEU  95          2HB       LEU  95  -2.545 -10.124   4.634
  739    HG   LEU  95           HG       LEU  95  -3.136  -8.783   2.488
  740   1HD1  LEU  95          2HD1      LEU  95  -4.020  -6.685   4.506
  741   2HD1  LEU  95          3HD1      LEU  95  -3.808  -6.433   2.769
  742   3HD1  LEU  95          1HD1      LEU  95  -5.084  -7.495   3.335
  743   1HD2  LEU  95          2HD2      LEU  95  -1.528  -7.500   4.722
  744   2HD2  LEU  95          3HD2      LEU  95  -0.962  -8.508   3.375
  745   3HD2  LEU  95          1HD2      LEU  95  -1.564  -6.892   3.045
  746    H    LEU  96           H        LEU  96  -4.464 -12.788   4.796
  747    HA   LEU  96           HA       LEU  96  -2.930 -13.498   2.459
  748   1HB   LEU  96          1HB       LEU  96  -4.441 -15.180   4.504
  749   2HB   LEU  96          2HB       LEU  96  -3.705 -15.891   3.088
  750    HG   LEU  96           HG       LEU  96  -2.348 -16.189   5.050
  751   1HD1  LEU  96          3HD1      LEU  96  -1.272 -16.108   2.854
  752   2HD1  LEU  96          1HD1      LEU  96  -0.942 -14.364   3.068
  753   3HD1  LEU  96          2HD1      LEU  96  -0.195 -15.567   4.141
  754   1HD2  LEU  96          3HD2      LEU  96  -2.903 -14.156   6.251
  755   2HD2  LEU  96          1HD2      LEU  96  -1.171 -14.436   6.188
  756   3HD2  LEU  96          2HD2      LEU  96  -1.902 -13.186   5.145
  757    H    THR  97           H        THR  97  -6.372 -14.059   3.364
  758    HA   THR  97           HA       THR  97  -7.239 -15.023   0.854
  759    HB   THR  97           HB       THR  97  -8.649 -13.359   2.995
  760    HG1  THR  97           HG1      THR  97  -8.850 -16.138   2.705
  761   1HG2  THR  97          2HG2      THR  97  -9.859 -15.211   0.899
  762   2HG2  THR  97          3HG2      THR  97 -10.717 -14.411   2.245
  763   3HG2  THR  97          1HG2      THR  97 -10.018 -13.441   0.947
  764    H    ARG  98           H        ARG  98  -7.189 -11.648   2.149
  765    HA   ARG  98           HA       ARG  98  -8.217 -10.202   0.013
  766   1HB   ARG  98          1HB       ARG  98  -7.401  -9.419   2.272
  767   2HB   ARG  98          2HB       ARG  98  -5.802  -9.273   1.532
  768   1HG   ARG  98          1HG       ARG  98  -6.350  -7.400   0.457
  769   2HG   ARG  98          2HG       ARG  98  -7.817  -8.090  -0.245
  770   1HD   ARG  98          1HD       ARG  98  -7.490  -6.892   2.498
  771   2HD   ARG  98          2HD       ARG  98  -8.263  -6.147   1.082
  772    HE   ARG  98           HE       ARG  98  -9.368  -8.008   3.001
  773   1HH1  ARG  98          2HH2      ARG  98  -9.989  -6.332  -0.051
  774   2HH1  ARG  98          1HH2      ARG  98 -11.633  -6.821  -0.111
  775   1HH2  ARG  98          2HH1      ARG  98 -11.537  -8.523   2.992
  776   2HH2  ARG  98          1HH1      ARG  98 -12.530  -8.184   1.627
  777    H    LEU  99           H        LEU  99  -4.795 -11.197   0.463
  778    HA   LEU  99           HA       LEU  99  -3.853 -10.161  -2.047
  779   1HB   LEU  99          1HB       LEU  99  -2.848 -12.071   0.106
  780   2HB   LEU  99          2HB       LEU  99  -1.900 -11.840  -1.339
  781    HG   LEU  99           HG       LEU  99  -2.742  -9.466   0.347
  782   1HD1  LEU  99          2HD1      LEU  99  -0.254 -11.203   0.610
  783   2HD1  LEU  99          3HD1      LEU  99  -0.490  -9.625   1.400
  784   3HD1  LEU  99          1HD1      LEU  99  -1.524 -10.998   1.824
  785   1HD2  LEU  99          2HD2      LEU  99  -0.492  -9.980  -1.645
  786   2HD2  LEU  99          3HD2      LEU  99  -1.938  -9.024  -1.953
  787   3HD2  LEU  99          1HD2      LEU  99  -0.752  -8.469  -0.753
  788    H    LYS 100           H        LYS 100  -4.644 -13.552  -0.986
  789    HA   LYS 100           HA       LYS 100  -3.746 -14.560  -3.499
  790   1HB   LYS 100          1HB       LYS 100  -4.979 -15.692  -1.097
  791   2HB   LYS 100          2HB       LYS 100  -5.700 -16.379  -2.538
  792   1HG   LYS 100          1HG       LYS 100  -3.298 -16.737  -3.436
  793   2HG   LYS 100          2HG       LYS 100  -2.728 -16.263  -1.847
  794   1HD   LYS 100          1HD       LYS 100  -4.203 -18.085  -0.855
  795   2HD   LYS 100          2HD       LYS 100  -4.587 -18.586  -2.516
  796   1HE   LYS 100          1HE       LYS 100  -2.032 -18.859  -2.841
  797   2HE   LYS 100          2HE       LYS 100  -1.910 -18.689  -1.079
  798   1HZ   LYS 100          1HZ       LYS 100  -3.631 -20.567  -1.057
  799   2HZ   LYS 100          2HZ       LYS 100  -3.179 -20.828  -2.627
  800   3HZ   LYS 100          3HZ       LYS 100  -2.074 -20.951  -1.430
  801    H    GLN 101           H        GLN 101  -6.857 -13.160  -2.598
  802    HA   GLN 101           HA       GLN 101  -8.335 -13.951  -4.838
  803   1HB   GLN 101          1HB       GLN 101  -9.084 -12.662  -2.805
  804   2HB   GLN 101          2HB       GLN 101  -8.368 -11.209  -3.517
  805   1HG   GLN 101          1HG       GLN 101  -9.859 -11.380  -5.440
  806   2HG   GLN 101          2HG       GLN 101 -10.519 -12.908  -4.855
  807   1HE2  GLN 101          2HE2      GLN 101 -12.721 -11.398  -2.480
  808   2HE2  GLN 101          1HE2      GLN 101 -12.044 -12.879  -3.144
  809    H    ILE 102           H        ILE 102  -5.687 -11.481  -4.689
  810    HA   ILE 102           HA       ILE 102  -6.223 -10.674  -7.486
  811    HB   ILE 102           HB       ILE 102  -4.518  -9.175  -7.335
  812   1HG1  ILE 102          1HG1      ILE 102  -3.470  -9.644  -4.582
  813   2HG1  ILE 102          2HG1      ILE 102  -3.127 -10.900  -5.713
  814   1HG2  ILE 102          1HG2      ILE 102  -6.518  -8.664  -5.992
  815   2HG2  ILE 102          2HG2      ILE 102  -5.681  -9.282  -4.549
  816   3HG2  ILE 102          3HG2      ILE 102  -5.019  -7.864  -5.401
  817   1HD1  ILE 102          2HD1      ILE 102  -2.534  -7.960  -6.199
  818   2HD1  ILE 102          3HD1      ILE 102  -1.356  -9.162  -5.648
  819   3HD1  ILE 102          1HD1      ILE 102  -2.066  -9.309  -7.265
  820    H    GLY 103           H        GLY 103  -4.687 -13.334  -6.018
  821   1HA   GLY 103          1HA       GLY 103  -3.433 -15.070  -6.952
  822   2HA   GLY 103          2HA       GLY 103  -3.229 -14.143  -8.452
  823    H    ALA 104           H        ALA 104  -2.147 -14.497  -5.124
  824    HA   ALA 104           HA       ALA 104   0.363 -12.944  -5.651
  825   1HB   ALA 104          2HB       ALA 104  -1.557 -12.688  -3.285
  826   2HB   ALA 104          3HB       ALA 104   0.057 -11.957  -3.352
  827   3HB   ALA 104          1HB       ALA 104  -1.216 -11.418  -4.478
  828    H    LEU 105           H        LEU 105  -0.958 -14.752  -2.555
  829    HA   LEU 105           HA       LEU 105   1.690 -15.496  -2.226
  830   1HB   LEU 105          1HB       LEU 105  -0.623 -16.988  -1.043
  831   2HB   LEU 105          2HB       LEU 105   0.989 -16.831  -0.526
  832    HG   LEU 105           HG       LEU 105  -0.002 -15.622   1.061
  833   1HD1  LEU 105          3HD1      LEU 105   1.826 -14.326   0.063
  834   2HD1  LEU 105          1HD1      LEU 105   0.654 -13.417  -0.911
  835   3HD1  LEU 105          2HD1      LEU 105   0.623 -13.322   0.863
  836   1HD2  LEU 105          2HD2      LEU 105  -1.806 -14.275  -0.982
  837   2HD2  LEU 105          3HD2      LEU 105  -2.259 -15.499   0.233
  838   3HD2  LEU 105          1HD2      LEU 105  -1.726 -13.907   0.744
  839    H    GLN 106           H        GLN 106   2.688 -17.251  -2.654
  840    HA   GLN 106           HA       GLN 106   1.697 -18.596  -5.083
  841   1HB   GLN 106          2HB       GLN 106   3.697 -16.989  -4.981
  842   2HB   GLN 106          3HB       GLN 106   4.575 -18.271  -4.152
  843   1HG   GLN 106          2HG       GLN 106   4.092 -19.782  -6.110
  844   2HG   GLN 106          3HG       GLN 106   3.372 -18.387  -6.927
  845   1HE2  GLN 106          2HE2      GLN 106   7.391 -18.903  -6.991
  846   2HE2  GLN 106          1HE2      GLN 106   6.250 -20.090  -6.402
   
  No H/Q in entry =         846
  Start of MODEL   16
    1   1H    ALA   2          1H        ALA   2  -3.625  15.588  -8.476
    2   2H    ALA   2          2H        ALA   2  -3.413  15.324  -6.848
    3   3H    ALA   2          3H        ALA   2  -2.447  16.357  -7.629
    4    HA   ALA   2           HA       ALA   2  -1.449  14.696  -8.921
    5   1HB   ALA   2          3HB       ALA   2  -0.445  15.152  -6.768
    6   2HB   ALA   2          1HB       ALA   2  -1.528  13.984  -5.971
    7   3HB   ALA   2          2HB       ALA   2  -0.301  13.432  -7.140
    8    H    GLN   3           H        GLN   3  -4.115  14.051  -9.572
    9    HA   GLN   3           HA       GLN   3  -4.497  11.214  -8.910
   10   1HB   GLN   3          1HB       GLN   3  -6.524  11.396 -10.257
   11   2HB   GLN   3          2HB       GLN   3  -6.506  12.494  -8.883
   12   1HG   GLN   3          1HG       GLN   3  -6.478  14.379 -10.143
   13   2HG   GLN   3          2HG       GLN   3  -5.539  13.664 -11.453
   14   1HE2  GLN   3          2HE2      GLN   3  -8.451  13.635 -13.420
   15   2HE2  GLN   3          1HE2      GLN   3  -6.727  13.888 -13.287
   16    H    GLU   4           H        GLU   4  -2.164  11.191  -9.897
   17    HA   GLU   4           HA       GLU   4  -2.390   9.915 -12.529
   18   1HB   GLU   4          1HB       GLU   4  -2.099  12.363 -13.103
   19   2HB   GLU   4          2HB       GLU   4  -0.590  12.337 -12.198
   20   1HG   GLU   4          1HG       GLU   4  -0.066  10.248 -13.804
   21   2HG   GLU   4          2HG       GLU   4  -1.246  11.043 -14.829
   22    H    PHE   5           H        PHE   5   0.115  11.370 -10.268
   23    HA   PHE   5           HA       PHE   5   1.878   9.236 -10.707
   24   1HB   PHE   5          1HB       PHE   5   2.364  11.425  -9.469
   25   2HB   PHE   5          2HB       PHE   5   1.808  10.607  -8.011
   26    HD1  PHE   5          2HD       PHE   5   2.953   8.197  -7.541
   27    HD2  PHE   5          1HD       PHE   5   4.596  11.224 -10.151
   28    HE1  PHE   5          2HE       PHE   5   5.180   7.135  -7.390
   29    HE2  PHE   5          1HE       PHE   5   6.824  10.144  -9.978
   30    HZ   PHE   5           HZ       PHE   5   7.111   8.088  -8.607
   31    H    VAL   6           H        VAL   6  -0.320   9.565  -7.858
   32    HA   VAL   6           HA       VAL   6  -0.069   6.839  -7.025
   33    HB   VAL   6           HB       VAL   6  -2.098   9.054  -6.603
   34   1HG1  VAL   6          3HG1      VAL   6  -2.308   6.317  -5.299
   35   2HG1  VAL   6          1HG1      VAL   6  -3.239   7.760  -4.864
   36   3HG1  VAL   6          2HG1      VAL   6  -3.469   7.011  -6.443
   37   1HG2  VAL   6          2HG2      VAL   6   0.161   9.105  -5.418
   38   2HG2  VAL   6          3HG2      VAL   6  -1.270   9.116  -4.364
   39   3HG2  VAL   6          1HG2      VAL   6  -0.333   7.641  -4.562
   40    H    ASN   7           H        ASN   7  -2.378   8.523  -9.121
   41    HA   ASN   7           HA       ASN   7  -4.231   6.387  -9.253
   42   1HB   ASN   7          1HB       ASN   7  -4.379   9.012  -9.674
   43   2HB   ASN   7          2HB       ASN   7  -4.065   8.567 -11.348
   44   1HD2  ASN   7          2HD2      ASN   7  -7.631   7.069  -9.987
   45   2HD2  ASN   7          1HD2      ASN   7  -6.212   6.400  -9.262
   46    H    CYS   8           H        CYS   8  -1.325   6.911 -11.101
   47    HA   CYS   8           HA       CYS   8  -2.063   4.865 -13.094
   48   1HB   CYS   8          1HB       CYS   8  -1.038   7.094 -13.718
   49   2HB   CYS   8          2HB       CYS   8   0.462   6.533 -12.964
   50    HG   CYS   8           HG       CYS   8   0.779   4.411 -14.378
   51    H    LYS   9           H        LYS   9  -0.034   5.334 -10.176
   52    HA   LYS   9           HA       LYS   9   1.817   3.235 -10.728
   53   1HB   LYS   9          1HB       LYS   9   0.920   4.657  -8.215
   54   2HB   LYS   9          2HB       LYS   9   1.928   3.214  -8.060
   55   1HG   LYS   9          1HG       LYS   9   2.697   5.447  -9.914
   56   2HG   LYS   9          2HG       LYS   9   3.087   5.551  -8.213
   57   1HD   LYS   9          1HD       LYS   9   4.496   3.594  -8.327
   58   2HD   LYS   9          2HD       LYS   9   3.932   3.173  -9.943
   59   1HE   LYS   9          1HE       LYS   9   5.402   5.764  -9.275
   60   2HE   LYS   9          2HE       LYS   9   6.193   4.298  -9.846
   61   1HZ   LYS   9          2HZ       LYS   9   4.125   5.766 -11.376
   62   2HZ   LYS   9          3HZ       LYS   9   5.739   5.816 -11.646
   63   3HZ   LYS   9          1HZ       LYS   9   4.931   4.408 -11.863
   64    H    ILE  10           H        ILE  10  -1.360   3.192  -9.028
   65    HA   ILE  10           HA       ILE  10  -1.114   0.487  -8.196
   66    HB   ILE  10           HB       ILE  10  -3.670   2.003  -8.795
   67   1HG1  ILE  10          1HG1      ILE  10  -2.650   1.995  -5.966
   68   2HG1  ILE  10          2HG1      ILE  10  -1.797   3.061  -7.054
   69   1HG2  ILE  10          2HG2      ILE  10  -2.980  -0.253  -6.851
   70   2HG2  ILE  10          3HG2      ILE  10  -4.496   0.662  -6.852
   71   3HG2  ILE  10          1HG2      ILE  10  -4.075  -0.335  -8.258
   72   1HD1  ILE  10          1HD1      ILE  10  -3.884   4.130  -7.767
   73   2HD1  ILE  10          2HD1      ILE  10  -4.797   3.081  -6.658
   74   3HD1  ILE  10          3HD1      ILE  10  -3.624   4.259  -6.017
   75    H    GLN  11           H        GLN  11  -1.800  -1.428  -9.209
   76    HA   GLN  11           HA       GLN  11  -3.160  -1.250 -11.819
   77   1HB   GLN  11          1HB       GLN  11  -0.648  -2.802 -11.201
   78   2HB   GLN  11          2HB       GLN  11  -1.908  -3.609 -12.117
   79   1HG   GLN  11          1HG       GLN  11  -0.722  -2.729 -13.826
   80   2HG   GLN  11          2HG       GLN  11  -1.915  -1.456 -13.626
   81   1HE2  GLN  11          2HE2      GLN  11   0.550   1.002 -12.768
   82   2HE2  GLN  11          1HE2      GLN  11  -1.133   0.644 -12.650
   83    HA   PRO  12           HA       PRO  12  -6.008  -3.681  -9.653
   84   1HB   PRO  12          1HB       PRO  12  -7.391  -5.058 -11.611
   85   2HB   PRO  12          2HB       PRO  12  -7.399  -3.274 -11.508
   86   1HG   PRO  12          1HG       PRO  12  -5.587  -5.016 -13.212
   87   2HG   PRO  12          2HG       PRO  12  -6.600  -3.634 -13.742
   88   1HD   PRO  12          1HD       PRO  12  -3.978  -3.309 -13.162
   89   2HD   PRO  12          2HD       PRO  12  -5.179  -2.070 -12.694
   90    H    GLY  13           H        GLY  13  -3.426  -4.917 -10.049
   91   1HA   GLY  13          1HA       GLY  13  -3.761  -7.561  -8.947
   92   2HA   GLY  13          2HA       GLY  13  -3.384  -7.681 -10.663
   93    H    LYS  14           H        LYS  14  -2.206  -5.334  -8.131
   94    HA   LYS  14           HA       LYS  14   0.381  -6.649  -7.909
   95   1HB   LYS  14          1HB       LYS  14  -0.063  -3.934  -9.237
   96   2HB   LYS  14          2HB       LYS  14   1.104  -4.005  -7.926
   97   1HG   LYS  14          1HG       LYS  14   2.093  -6.069  -9.149
   98   2HG   LYS  14          2HG       LYS  14   1.197  -5.490 -10.535
   99   1HD   LYS  14          1HD       LYS  14   3.242  -3.785  -9.038
  100   2HD   LYS  14          2HD       LYS  14   3.637  -4.862 -10.377
  101   1HE   LYS  14          1HE       LYS  14   1.616  -3.535 -11.570
  102   2HE   LYS  14          2HE       LYS  14   2.107  -2.277 -10.423
  103   1HZ   LYS  14          2HZ       LYS  14   4.394  -2.579 -11.342
  104   2HZ   LYS  14          3HZ       LYS  14   3.776  -3.598 -12.474
  105   3HZ   LYS  14          1HZ       LYS  14   3.317  -2.028 -12.460
  106    H    VAL  15           H        VAL  15   1.409  -5.674  -5.865
  107    HA   VAL  15           HA       VAL  15  -0.710  -4.612  -4.080
  108    HB   VAL  15           HB       VAL  15   1.901  -5.964  -3.347
  109   1HG1  VAL  15          1HG1      VAL  15  -0.463  -4.834  -1.843
  110   2HG1  VAL  15          2HG1      VAL  15   0.659  -5.990  -1.070
  111   3HG1  VAL  15          3HG1      VAL  15   1.209  -4.403  -1.633
  112   1HG2  VAL  15          2HG2      VAL  15  -0.908  -7.093  -3.393
  113   2HG2  VAL  15          3HG2      VAL  15   0.497  -7.665  -4.315
  114   3HG2  VAL  15          1HG2      VAL  15   0.486  -7.839  -2.570
  115    H    VAL  16           H        VAL  16  -0.597  -2.410  -4.386
  116    HA   VAL  16           HA       VAL  16   2.128  -1.202  -4.658
  117    HB   VAL  16           HB       VAL  16  -0.577  -0.250  -5.675
  118   1HG1  VAL  16          3HG1      VAL  16   2.183   0.994  -5.942
  119   2HG1  VAL  16          1HG1      VAL  16   0.704   1.570  -6.744
  120   3HG1  VAL  16          2HG1      VAL  16   0.847   1.666  -4.986
  121   1HG2  VAL  16          2HG2      VAL  16   1.917  -1.465  -6.946
  122   2HG2  VAL  16          3HG2      VAL  16   0.242  -2.045  -7.040
  123   3HG2  VAL  16          1HG2      VAL  16   0.731  -0.575  -7.900
  124    H    VAL  17           H        VAL  17   2.836  -0.102  -2.963
  125    HA   VAL  17           HA       VAL  17   0.844   0.699  -0.898
  126    HB   VAL  17           HB       VAL  17   3.647  -0.347  -0.376
  127   1HG1  VAL  17          2HG1      VAL  17   1.226   0.253   1.389
  128   2HG1  VAL  17          3HG1      VAL  17   2.726  -0.530   1.954
  129   3HG1  VAL  17          1HG1      VAL  17   2.757   1.135   1.357
  130   1HG2  VAL  17          1HG2      VAL  17   1.004  -1.858  -0.316
  131   2HG2  VAL  17          2HG2      VAL  17   2.428  -2.197  -1.320
  132   3HG2  VAL  17          3HG2      VAL  17   2.531  -2.410   0.422
  133    H    PHE  18           H        PHE  18   0.748   2.827  -0.793
  134    HA   PHE  18           HA       PHE  18   3.033   4.461  -1.720
  135   1HB   PHE  18          1HB       PHE  18   0.327   5.277  -0.587
  136   2HB   PHE  18          2HB       PHE  18   1.545   6.397  -1.202
  137    HD1  PHE  18          1HD       PHE  18   2.365   6.240  -3.579
  138    HD2  PHE  18          2HD       PHE  18  -1.053   4.037  -2.144
  139    HE1  PHE  18          1HE       PHE  18   1.666   5.823  -5.903
  140    HE2  PHE  18          2HE       PHE  18  -1.777   3.640  -4.478
  141    HZ   PHE  18           HZ       PHE  18  -0.429   4.558  -6.367
  142    H    ILE  19           H        ILE  19   4.534   5.324  -0.386
  143    HA   ILE  19           HA       ILE  19   4.235   5.267   2.568
  144    HB   ILE  19           HB       ILE  19   6.650   4.466   2.592
  145   1HG1  ILE  19          1HG1      ILE  19   6.416   3.362  -0.201
  146   2HG1  ILE  19          2HG1      ILE  19   6.906   5.035  -0.009
  147   1HG2  ILE  19          1HG2      ILE  19   4.869   2.874   3.066
  148   2HG2  ILE  19          2HG2      ILE  19   4.766   2.441   1.343
  149   3HG2  ILE  19          3HG2      ILE  19   6.239   2.095   2.282
  150   1HD1  ILE  19          3HD1      ILE  19   8.362   2.726   1.273
  151   2HD1  ILE  19          1HD1      ILE  19   8.848   3.631  -0.181
  152   3HD1  ILE  19          2HD1      ILE  19   8.781   4.457   1.382
  153    H    LYS  20           H        LYS  20   5.999   6.552   3.543
  154    HA   LYS  20           HA       LYS  20   7.358   8.389   1.724
  155   1HB   LYS  20          1HB       LYS  20   7.431   9.719   4.203
  156   2HB   LYS  20          2HB       LYS  20   6.681  10.211   2.710
  157   1HG   LYS  20          1HG       LYS  20   4.570   9.104   3.341
  158   2HG   LYS  20          2HG       LYS  20   5.222   8.788   4.934
  159   1HD   LYS  20          1HD       LYS  20   5.003  11.545   3.633
  160   2HD   LYS  20          2HD       LYS  20   3.764  10.886   4.679
  161   1HE   LYS  20          1HE       LYS  20   6.614  11.479   5.511
  162   2HE   LYS  20          2HE       LYS  20   5.196  12.514   5.774
  163   1HZ   LYS  20          1HZ       LYS  20   4.227  10.630   7.069
  164   2HZ   LYS  20          2HZ       LYS  20   5.701   9.873   6.984
  165   3HZ   LYS  20          3HZ       LYS  20   5.545  11.324   7.733
  166    HA   PRO  21           HA       PRO  21  10.540   5.943   2.855
  167   1HB   PRO  21          1HB       PRO  21  12.791   7.413   2.293
  168   2HB   PRO  21          2HB       PRO  21  11.585   6.945   1.075
  169   1HG   PRO  21          1HG       PRO  21  11.816   9.562   2.590
  170   2HG   PRO  21          2HG       PRO  21  11.615   9.319   0.821
  171   1HD   PRO  21          1HD       PRO  21   9.522   9.862   2.493
  172   2HD   PRO  21          2HD       PRO  21   9.343   8.790   1.081
  173    H    THR  22           H        THR  22   9.687   7.770   5.272
  174    HA   THR  22           HA       THR  22  12.221   7.863   6.838
  175    HB   THR  22           HB       THR  22  10.962   9.952   7.749
  176    HG1  THR  22           HG1      THR  22   8.944   9.454   6.645
  177   1HG2  THR  22          1HG2      THR  22  12.007   9.903   4.876
  178   2HG2  THR  22          2HG2      THR  22  11.803  11.340   5.886
  179   3HG2  THR  22          3HG2      THR  22  12.978  10.101   6.344
  180    H    CYS  23           H        CSN  23   8.815   6.987   6.822
  181    HA   CYS  23           HA       CSN  23   8.484   7.480   9.549
  182   1HB   CYS  23          2HB       CSN  23   6.596   6.141   7.633
  183   2HB   CYS  23          3HB       CSN  23   6.230   7.301   8.928
  184    HA   PRO  24           HA       PRO  24   8.665   3.307  11.254
  185   1HB   PRO  24          1HB       PRO  24   6.977   3.565  13.383
  186   2HB   PRO  24          2HB       PRO  24   8.596   4.315  13.335
  187   1HG   PRO  24          1HG       PRO  24   5.942   5.625  12.702
  188   2HG   PRO  24          2HG       PRO  24   7.254   6.230  13.765
  189   1HD   PRO  24          1HD       PRO  24   7.020   7.051  11.191
  190   2HD   PRO  24          2HD       PRO  24   8.630   6.778  11.931
  191    H    TYR  25           H        TYR  25   5.667   4.925  10.330
  192    HA   TYR  25           HA       TYR  25   3.872   2.712  10.648
  193   1HB   TYR  25          1HB       TYR  25   3.798   5.162   8.786
  194   2HB   TYR  25          2HB       TYR  25   2.421   4.161   9.203
  195    HD1  TYR  25          2HD       TYR  25   2.911   3.892  12.267
  196    HD2  TYR  25          1HD       TYR  25   3.085   7.251   9.544
  197    HE1  TYR  25          2HE       TYR  25   2.696   5.443  14.160
  198    HE2  TYR  25          1HE       TYR  25   2.855   8.801  11.435
  199    HH   TYR  25           HH       TYR  25   3.036   8.981  13.751
  200    H    CYS  26           H        CYS  26   5.719   4.097   7.965
  201    HA   CYS  26           HA       CYS  26   4.897   2.377   5.827
  202   1HB   CYS  26          1HB       CYS  26   7.379   4.120   6.406
  203   2HB   CYS  26          2HB       CYS  26   7.110   3.297   4.872
  204    HG   CYS  26           HG       CYS  26   6.554   5.967   5.111
  205    H    ARG  27           H        ARG  27   7.805   2.486   7.930
  206    HA   ARG  27           HA       ARG  27   9.115   0.184   7.076
  207   1HB   ARG  27          1HB       ARG  27   8.914   1.607   9.748
  208   2HB   ARG  27          2HB       ARG  27   9.866   0.134   9.603
  209   1HG   ARG  27          1HG       ARG  27  11.316   1.075   7.955
  210   2HG   ARG  27          2HG       ARG  27  10.292   2.521   7.787
  211   1HD   ARG  27          1HD       ARG  27  10.782   3.266   9.996
  212   2HD   ARG  27          2HD       ARG  27  11.464   1.703  10.450
  213    HE   ARG  27           HE       ARG  27  12.942   2.836   8.249
  214   1HH1  ARG  27          2HH2      ARG  27  12.563   3.101  11.763
  215   2HH1  ARG  27          1HH2      ARG  27  14.205   3.503  12.070
  216   1HH2  ARG  27          2HH1      ARG  27  15.183   3.401   8.639
  217   2HH2  ARG  27          1HH1      ARG  27  15.711   3.640  10.266
  218    H    ARG  28           H        ARG  28   6.640   0.430   9.675
  219    HA   ARG  28           HA       ARG  28   6.670  -2.289  10.409
  220   1HB   ARG  28          1HB       ARG  28   5.407  -0.516  11.599
  221   2HB   ARG  28          2HB       ARG  28   4.287  -0.385  10.271
  222   1HG   ARG  28          1HG       ARG  28   3.030  -2.103  11.145
  223   2HG   ARG  28          2HG       ARG  28   4.352  -3.202  10.867
  224   1HD   ARG  28          1HD       ARG  28   4.064  -1.493  13.353
  225   2HD   ARG  28          2HD       ARG  28   3.611  -3.207  13.233
  226    HE   ARG  28           HE       ARG  28   6.223  -3.278  12.430
  227   1HH1  ARG  28          2HH2      ARG  28   4.799  -1.726  15.300
  228   2HH1  ARG  28          1HH2      ARG  28   6.271  -1.813  16.201
  229   1HH2  ARG  28          2HH1      ARG  28   8.016  -3.318  13.459
  230   2HH2  ARG  28          1HH1      ARG  28   8.269  -2.742  15.089
  231    H    ALA  29           H        ALA  29   4.464  -0.651   8.147
  232    HA   ALA  29           HA       ALA  29   3.222  -2.989   7.234
  233   1HB   ALA  29          1HB       ALA  29   3.824  -0.450   5.640
  234   2HB   ALA  29          2HB       ALA  29   2.645  -1.680   5.163
  235   3HB   ALA  29          3HB       ALA  29   2.383  -0.757   6.664
  236    H    GLN  30           H        GLN  30   6.351  -1.541   5.910
  237    HA   GLN  30           HA       GLN  30   6.755  -3.300   3.935
  238   1HB   GLN  30          1HB       GLN  30   8.078  -1.199   5.043
  239   2HB   GLN  30          2HB       GLN  30   9.080  -2.538   5.636
  240   1HG   GLN  30          1HG       GLN  30   9.362  -3.375   3.359
  241   2HG   GLN  30          2HG       GLN  30   8.116  -2.213   2.849
  242   1HE2  GLN  30          2HE2      GLN  30  11.266  -0.571   1.805
  243   2HE2  GLN  30          1HE2      GLN  30  10.165  -1.802   1.240
  244    H    GLU  31           H        GLU  31   7.752  -3.738   7.344
  245    HA   GLU  31           HA       GLU  31   8.981  -6.279   6.625
  246   1HB   GLU  31          1HB       GLU  31   9.656  -6.463   8.877
  247   2HB   GLU  31          2HB       GLU  31   9.734  -4.750   8.491
  248   1HG   GLU  31          1HG       GLU  31   7.205  -4.981   9.605
  249   2HG   GLU  31          2HG       GLU  31   8.051  -6.248  10.455
  250    H    ILE  32           H        ILE  32   5.949  -5.321   8.010
  251    HA   ILE  32           HA       ILE  32   4.829  -7.855   8.609
  252    HB   ILE  32           HB       ILE  32   3.900  -5.091   7.951
  253   1HG1  ILE  32          1HG1      ILE  32   3.566  -7.048  10.288
  254   2HG1  ILE  32          2HG1      ILE  32   4.636  -5.647  10.215
  255   1HG2  ILE  32          2HG2      ILE  32   2.232  -6.237   6.713
  256   2HG2  ILE  32          3HG2      ILE  32   1.861  -7.275   8.123
  257   3HG2  ILE  32          1HG2      ILE  32   1.563  -5.511   8.148
  258   1HD1  ILE  32          1HD1      ILE  32   2.555  -4.224  10.018
  259   2HD1  ILE  32          2HD1      ILE  32   1.605  -5.670  10.428
  260   3HD1  ILE  32          3HD1      ILE  32   2.794  -5.033  11.584
  261    H    LEU  33           H        LEU  33   4.816  -5.919   5.579
  262    HA   LEU  33           HA       LEU  33   3.155  -7.894   4.329
  263   1HB   LEU  33          1HB       LEU  33   4.587  -5.408   3.357
  264   2HB   LEU  33          2HB       LEU  33   4.014  -6.550   2.171
  265    HG   LEU  33           HG       LEU  33   2.169  -5.136   4.166
  266   1HD1  LEU  33          1HD1      LEU  33   3.117  -3.628   2.506
  267   2HD1  LEU  33          2HD1      LEU  33   2.550  -4.720   1.214
  268   3HD1  LEU  33          3HD1      LEU  33   1.388  -3.938   2.261
  269   1HD2  LEU  33          3HD2      LEU  33   1.655  -7.052   1.835
  270   2HD2  LEU  33          1HD2      LEU  33   1.255  -7.314   3.539
  271   3HD2  LEU  33          2HD2      LEU  33   0.415  -6.051   2.617
  272    H    SER  34           H        SER  34   6.672  -6.926   4.110
  273    HA   SER  34           HA       SER  34   7.036  -8.440   1.755
  274   1HB   SER  34          1HB       SER  34   9.359  -7.937   1.943
  275   2HB   SER  34          2HB       SER  34   8.429  -6.522   2.431
  276    HG   SER  34           HG       SER  34  10.181  -6.899   3.763
  277    H    GLN  35           H        GLN  35   7.205  -9.558   5.096
  278    HA   GLN  35           HA       GLN  35   8.716 -11.967   4.343
  279   1HB   GLN  35          1HB       GLN  35   7.285 -11.343   6.942
  280   2HB   GLN  35          2HB       GLN  35   8.439 -12.649   6.636
  281   1HG   GLN  35          1HG       GLN  35   8.995  -9.665   6.746
  282   2HG   GLN  35          2HG       GLN  35   9.615 -10.924   7.799
  283   1HE2  GLN  35          2HE2      GLN  35  11.702  -9.873   4.513
  284   2HE2  GLN  35          1HE2      GLN  35  10.219  -9.036   4.941
  285    H    LEU  36           H        LEU  36   5.440 -11.066   3.847
  286    HA   LEU  36           HA       LEU  36   4.386 -13.769   4.103
  287   1HB   LEU  36          1HB       LEU  36   3.342 -11.317   2.635
  288   2HB   LEU  36          2HB       LEU  36   2.474 -12.817   2.884
  289    HG   LEU  36           HG       LEU  36   3.360 -10.889   5.071
  290   1HD1  LEU  36          2HD1      LEU  36   1.564 -10.022   3.652
  291   2HD1  LEU  36          3HD1      LEU  36   0.591 -11.481   3.967
  292   3HD1  LEU  36          1HD1      LEU  36   0.989 -10.355   5.292
  293   1HD2  LEU  36          2HD2      LEU  36   1.681 -13.429   5.265
  294   2HD2  LEU  36          3HD2      LEU  36   3.282 -13.158   5.989
  295   3HD2  LEU  36          1HD2      LEU  36   1.893 -12.245   6.572
  296    HA   PRO  37           HA       PRO  37   6.380 -14.677   0.165
  297   1HB   PRO  37          1HB       PRO  37   5.264 -17.092  -0.442
  298   2HB   PRO  37          2HB       PRO  37   6.427 -16.877   0.904
  299   1HG   PRO  37          1HG       PRO  37   3.408 -17.041   1.058
  300   2HG   PRO  37          2HG       PRO  37   4.624 -17.825   2.110
  301   1HD   PRO  37          1HD       PRO  37   3.315 -15.457   2.730
  302   2HD   PRO  37          2HD       PRO  37   4.938 -15.863   3.353
  303    H    ILE  38           H        ILE  38   5.655 -13.138  -1.335
  304    HA   ILE  38           HA       ILE  38   2.883 -13.421  -2.460
  305    HB   ILE  38           HB       ILE  38   4.580 -11.092  -1.469
  306   1HG1  ILE  38          1HG1      ILE  38   1.564 -11.628  -1.277
  307   2HG1  ILE  38          2HG1      ILE  38   2.724 -12.319  -0.153
  308   1HG2  ILE  38          2HG2      ILE  38   2.305 -10.759  -3.498
  309   2HG2  ILE  38          3HG2      ILE  38   3.073  -9.453  -2.584
  310   3HG2  ILE  38          1HG2      ILE  38   4.015 -10.351  -3.755
  311   1HD1  ILE  38          2HD1      ILE  38   3.550  -9.996   0.377
  312   2HD1  ILE  38          3HD1      ILE  38   2.117  -9.384  -0.500
  313   3HD1  ILE  38          1HD1      ILE  38   1.929 -10.396   0.937
  314    H    LYS  39           H        LYS  39   2.792 -13.157  -4.794
  315    HA   LYS  39           HA       LYS  39   4.896 -14.171  -6.144
  316   1HB   LYS  39          1HB       LYS  39   2.680 -12.523  -7.344
  317   2HB   LYS  39          2HB       LYS  39   3.972 -13.296  -8.272
  318   1HG   LYS  39          1HG       LYS  39   3.097 -15.394  -6.709
  319   2HG   LYS  39          2HG       LYS  39   1.606 -14.487  -6.958
  320   1HD   LYS  39          1HD       LYS  39   3.408 -15.575  -9.144
  321   2HD   LYS  39          2HD       LYS  39   1.895 -16.261  -8.571
  322   1HE   LYS  39          1HE       LYS  39   1.107 -15.123 -10.416
  323   2HE   LYS  39          2HE       LYS  39   0.834 -13.941  -9.144
  324   1HZ   LYS  39          2HZ       LYS  39   2.997 -12.893  -9.880
  325   2HZ   LYS  39          3HZ       LYS  39   3.015 -13.962 -11.132
  326   3HZ   LYS  39          1HZ       LYS  39   1.798 -12.879 -10.985
  327    H    GLN  40           H        GLN  40   6.875 -13.444  -6.868
  328    HA   GLN  40           HA       GLN  40   7.691 -10.973  -5.762
  329   1HB   GLN  40          1HB       GLN  40   9.020 -13.124  -6.229
  330   2HB   GLN  40          2HB       GLN  40   9.272 -12.483  -7.863
  331   1HG   GLN  40          1HG       GLN  40  10.343 -10.462  -6.875
  332   2HG   GLN  40          2HG       GLN  40  10.018 -11.076  -5.248
  333   1HE2  GLN  40          2HE2      GLN  40  13.558 -11.979  -6.197
  334   2HE2  GLN  40          1HE2      GLN  40  12.731 -10.445  -6.144
  335    H    GLY  41           H        GLY  41   7.992  -8.933  -6.624
  336   1HA   GLY  41          1HA       GLY  41   8.023  -7.277  -8.238
  337   2HA   GLY  41          2HA       GLY  41   7.552  -8.433  -9.482
  338    H    LEU  42           H        LEU  42   5.310  -8.992  -6.887
  339    HA   LEU  42           HA       LEU  42   3.372  -7.189  -8.072
  340   1HB   LEU  42          1HB       LEU  42   3.197  -8.900  -5.603
  341   2HB   LEU  42          2HB       LEU  42   1.958  -7.889  -6.255
  342    HG   LEU  42           HG       LEU  42   3.064 -10.405  -7.491
  343   1HD1  LEU  42          3HD1      LEU  42   1.378 -10.573  -5.701
  344   2HD1  LEU  42          1HD1      LEU  42   0.301  -9.477  -6.607
  345   3HD1  LEU  42          2HD1      LEU  42   0.706 -11.063  -7.271
  346   1HD2  LEU  42          3HD2      LEU  42   1.120  -8.482  -8.785
  347   2HD2  LEU  42          1HD2      LEU  42   2.753  -8.920  -9.375
  348   3HD2  LEU  42          2HD2      LEU  42   1.479 -10.126  -9.327
  349    H    LEU  43           H        LEU  43   5.504  -7.289  -5.203
  350    HA   LEU  43           HA       LEU  43   3.801  -5.350  -3.870
  351   1HB   LEU  43          1HB       LEU  43   4.746  -7.566  -2.882
  352   2HB   LEU  43          2HB       LEU  43   6.193  -6.632  -2.650
  353    HG   LEU  43           HG       LEU  43   5.397  -6.102  -0.653
  354   1HD1  LEU  43          1HD1      LEU  43   4.977  -3.907  -1.644
  355   2HD1  LEU  43          2HD1      LEU  43   3.313  -4.365  -2.023
  356   3HD1  LEU  43          3HD1      LEU  43   3.883  -4.250  -0.345
  357   1HD2  LEU  43          3HD2      LEU  43   2.715  -7.102  -1.641
  358   2HD2  LEU  43          1HD2      LEU  43   3.890  -7.866  -0.565
  359   3HD2  LEU  43          2HD2      LEU  43   2.969  -6.482   0.007
  360    H    GLU  44           H        GLU  44   4.172  -3.300  -4.683
  361    HA   GLU  44           HA       GLU  44   7.012  -2.386  -4.676
  362   1HB   GLU  44          1HB       GLU  44   5.874  -2.523  -6.914
  363   2HB   GLU  44          2HB       GLU  44   4.796  -1.219  -6.374
  364   1HG   GLU  44          1HG       GLU  44   6.780   0.201  -5.890
  365   2HG   GLU  44          2HG       GLU  44   7.857  -1.123  -6.327
  366    H    PHE  45           H        PHE  45   7.462  -1.138  -3.060
  367    HA   PHE  45           HA       PHE  45   5.416   0.487  -1.699
  368   1HB   PHE  45          1HB       PHE  45   8.361   0.054  -1.082
  369   2HB   PHE  45          2HB       PHE  45   7.242   1.036  -0.140
  370    HD1  PHE  45          1HD       PHE  45   8.082  -2.423  -1.167
  371    HD2  PHE  45          2HD       PHE  45   5.574  -0.001   1.347
  372    HE1  PHE  45          1HE       PHE  45   7.397  -4.451   0.080
  373    HE2  PHE  45          2HE       PHE  45   4.858  -2.028   2.580
  374    HZ   PHE  45           HZ       PHE  45   5.771  -4.262   1.932
  375    H    VAL  46           H        VAL  46   5.091   2.494  -2.445
  376    HA   VAL  46           HA       VAL  46   6.868   3.641  -4.529
  377    HB   VAL  46           HB       VAL  46   3.853   3.825  -4.053
  378   1HG1  VAL  46          3HG1      VAL  46   4.741   5.874  -5.118
  379   2HG1  VAL  46          1HG1      VAL  46   5.532   4.886  -6.366
  380   3HG1  VAL  46          2HG1      VAL  46   3.755   4.929  -6.224
  381   1HG2  VAL  46          1HG2      VAL  46   5.470   2.283  -6.117
  382   2HG2  VAL  46          2HG2      VAL  46   4.374   1.622  -4.883
  383   3HG2  VAL  46          3HG2      VAL  46   3.722   2.570  -6.224
  384    H    ASP  47           H        ASP  47   7.518   5.788  -4.262
  385    HA   ASP  47           HA       ASP  47   7.379   6.702  -1.492
  386   1HB   ASP  47          1HB       ASP  47   9.424   6.602  -3.156
  387   2HB   ASP  47          2HB       ASP  47   8.804   8.146  -3.744
  388    H    ILE  48           H        ILE  48   6.154   8.489  -0.830
  389    HA   ILE  48           HA       ILE  48   4.759  10.094  -2.908
  390    HB   ILE  48           HB       ILE  48   3.312  10.890  -1.255
  391   1HG1  ILE  48          1HG1      ILE  48   4.540   9.238   0.963
  392   2HG1  ILE  48          2HG1      ILE  48   5.010  10.901   0.697
  393   1HG2  ILE  48          1HG2      ILE  48   2.926   8.621  -2.292
  394   2HG2  ILE  48          2HG2      ILE  48   3.605   7.872  -0.843
  395   3HG2  ILE  48          3HG2      ILE  48   2.116   8.827  -0.734
  396   1HD1  ILE  48          1HD1      ILE  48   2.601  11.580   0.899
  397   2HD1  ILE  48          2HD1      ILE  48   2.195   9.898   1.299
  398   3HD1  ILE  48          3HD1      ILE  48   3.237  10.841   2.360
  399    H    THR  49           H        THR  49   7.768  10.381  -1.637
  400    HA   THR  49           HA       THR  49   7.497  13.344  -1.298
  401    HB   THR  49           HB       THR  49   9.220  13.320   0.268
  402    HG1  THR  49           HG1      THR  49   9.707  10.622  -0.524
  403   1HG2  THR  49          2HG2      THR  49   7.034  12.470   1.160
  404   2HG2  THR  49          3HG2      THR  49   7.643  10.814   0.916
  405   3HG2  THR  49          1HG2      THR  49   8.438  11.899   2.063
  406    H    ALA  50           H        ALA  50   9.138  10.757  -2.948
  407    HA   ALA  50           HA       ALA  50  11.522  11.827  -3.552
  408   1HB   ALA  50          1HB       ALA  50  10.851   9.525  -4.028
  409   2HB   ALA  50          2HB       ALA  50   9.822  10.066  -5.373
  410   3HB   ALA  50          3HB       ALA  50  11.586  10.255  -5.459
  411    H    THR  51           H        THR  51   8.764  12.019  -5.803
  412    HA   THR  51           HA       THR  51  10.029  14.260  -7.297
  413    HB   THR  51           HB       THR  51   9.294  12.732  -9.259
  414    HG1  THR  51           HG1      THR  51   9.191  10.417  -8.339
  415   1HG2  THR  51          1HG2      THR  51  11.671  12.819  -8.512
  416   2HG2  THR  51          2HG2      THR  51  11.363  11.437  -7.444
  417   3HG2  THR  51          3HG2      THR  51  11.187  11.262  -9.199
  418    H    ASN  52           H        ASN  52   7.247  13.573  -5.590
  419    HA   ASN  52           HA       ASN  52   5.393  14.559  -7.713
  420   1HB   ASN  52          1HB       ASN  52   4.051  12.526  -7.206
  421   2HB   ASN  52          2HB       ASN  52   5.636  12.201  -7.883
  422   1HD2  ASN  52          2HD2      ASN  52   5.941   9.741  -5.306
  423   2HD2  ASN  52          1HD2      ASN  52   5.522   9.970  -6.992
  424    H    HIS  53           H        HIS  53   6.118  15.107  -4.481
  425    HA   HIS  53           HA       HIS  53   5.107  16.317  -2.888
  426   1HB   HIS  53          1HB       HIS  53   4.508  17.654  -4.966
  427   2HB   HIS  53          2HB       HIS  53   2.873  17.118  -4.669
  428    HD1  HIS  53          1HD       HIS  53   1.835  19.381  -3.743
  429    HD2  HIS  53          2HD       HIS  53   5.490  18.261  -1.948
  430    HE1  HIS  53          1HE       HIS  53   2.197  20.961  -1.812
  431    H    THR  54           H        THR  54   4.868  14.552  -1.706
  432    HA   THR  54           HA       THR  54   2.949  13.063  -0.835
  433    HB   THR  54           HB       THR  54   4.550  12.989   0.660
  434    HG1  THR  54           HG1      THR  54   4.175  14.181   2.598
  435   1HG2  THR  54          1HG2      THR  54   5.950  14.702  -0.277
  436   2HG2  THR  54          2HG2      THR  54   5.003  15.956   0.586
  437   3HG2  THR  54          3HG2      THR  54   5.955  14.729   1.474
  438    H    ASN  55           H        ASN  55   2.962  16.395   0.224
  439    HA   ASN  55           HA       ASN  55   0.564  16.487   1.448
  440   1HB   ASN  55          1HB       ASN  55   1.580  18.772  -0.267
  441   2HB   ASN  55          2HB       ASN  55   0.324  18.910   0.958
  442   1HD2  ASN  55          2HD2      ASN  55   4.207  19.081   2.110
  443   2HD2  ASN  55          1HD2      ASN  55   3.622  19.309   0.481
  444    H    GLU  56           H        GLU  56   0.936  16.942  -2.092
  445    HA   GLU  56           HA       GLU  56  -1.867  17.387  -2.657
  446   1HB   GLU  56          1HB       GLU  56   0.731  17.507  -3.888
  447   2HB   GLU  56          2HB       GLU  56  -0.105  16.283  -4.800
  448   1HG   GLU  56          1HG       GLU  56  -1.445  18.929  -4.231
  449   2HG   GLU  56          2HG       GLU  56  -0.142  18.829  -5.418
  450    H    ILE  57           H        ILE  57   0.349  14.620  -2.929
  451    HA   ILE  57           HA       ILE  57  -1.425  12.691  -3.983
  452    HB   ILE  57           HB       ILE  57   1.181  12.742  -2.464
  453   1HG1  ILE  57          1HG1      ILE  57   0.428  11.399  -5.080
  454   2HG1  ILE  57          2HG1      ILE  57   0.802  13.119  -4.971
  455   1HG2  ILE  57          1HG2      ILE  57  -0.490  10.252  -2.758
  456   2HG2  ILE  57          2HG2      ILE  57   1.271  10.175  -2.737
  457   3HG2  ILE  57          3HG2      ILE  57   0.399  10.844  -1.354
  458   1HD1  ILE  57          3HD1      ILE  57   2.750  10.944  -4.141
  459   2HD1  ILE  57          1HD1      ILE  57   2.724  11.832  -5.666
  460   3HD1  ILE  57          2HD1      ILE  57   3.026  12.697  -4.146
  461    H    GLN  58           H        GLN  58  -0.773  13.623  -0.645
  462    HA   GLN  58           HA       GLN  58  -2.181  11.493   0.626
  463   1HB   GLN  58          1HB       GLN  58  -1.019  14.229   1.335
  464   2HB   GLN  58          2HB       GLN  58  -2.092  13.452   2.487
  465   1HG   GLN  58          1HG       GLN  58   0.575  12.424   1.550
  466   2HG   GLN  58          2HG       GLN  58   0.165  13.011   3.149
  467   1HE2  GLN  58          2HE2      GLN  58  -1.340   9.883   4.064
  468   2HE2  GLN  58          1HE2      GLN  58  -0.980  11.517   4.653
  469    H    ASP  59           H        ASP  59  -2.949  14.888  -0.176
  470    HA   ASP  59           HA       ASP  59  -5.571  15.054   0.881
  471   1HB   ASP  59          1HB       ASP  59  -3.812  16.601  -0.934
  472   2HB   ASP  59          2HB       ASP  59  -5.471  16.733  -1.394
  473    H    TYR  60           H        TYR  60  -4.412  14.176  -2.407
  474    HA   TYR  60           HA       TYR  60  -7.001  13.541  -3.436
  475   1HB   TYR  60          1HB       TYR  60  -5.164  13.972  -4.952
  476   2HB   TYR  60          2HB       TYR  60  -4.224  12.639  -4.283
  477    HD1  TYR  60          1HD       TYR  60  -7.736  13.095  -5.614
  478    HD2  TYR  60          2HD       TYR  60  -4.135  10.721  -5.659
  479    HE1  TYR  60          1HE       TYR  60  -8.831  11.495  -7.128
  480    HE2  TYR  60          2HE       TYR  60  -5.221   9.102  -7.188
  481    HH   TYR  60           HH       TYR  60  -7.193   8.623  -8.498
  482    H    LEU  61           H        LEU  61  -4.505  11.454  -1.902
  483    HA   LEU  61           HA       LEU  61  -5.749   8.970  -2.337
  484   1HB   LEU  61          1HB       LEU  61  -3.836  10.010  -0.245
  485   2HB   LEU  61          2HB       LEU  61  -4.571   8.449   0.024
  486    HG   LEU  61           HG       LEU  61  -3.098   9.091  -2.561
  487   1HD1  LEU  61          1HD1      LEU  61  -1.968   7.821  -0.020
  488   2HD1  LEU  61          2HD1      LEU  61  -1.135   7.956  -1.587
  489   3HD1  LEU  61          3HD1      LEU  61  -1.544   9.406  -0.661
  490   1HD2  LEU  61          2HD2      LEU  61  -3.845   6.493  -1.144
  491   2HD2  LEU  61          3HD2      LEU  61  -4.591   7.133  -2.626
  492   3HD2  LEU  61          1HD2      LEU  61  -2.898   6.616  -2.644
  493    H    GLN  62           H        GLN  62  -6.215  11.319   0.326
  494    HA   GLN  62           HA       GLN  62  -8.096   9.804   1.767
  495   1HB   GLN  62          1HB       GLN  62  -7.039  12.195   2.261
  496   2HB   GLN  62          2HB       GLN  62  -8.481  12.806   1.501
  497   1HG   GLN  62          1HG       GLN  62  -8.784  10.670   3.645
  498   2HG   GLN  62          2HG       GLN  62  -8.344  12.283   4.122
  499   1HE2  GLN  62          2HE2      GLN  62 -12.168  11.709   2.618
  500   2HE2  GLN  62          1HE2      GLN  62 -10.901  10.713   1.965
  501    H    GLN  63           H        GLN  63  -8.688  12.227  -0.848
  502    HA   GLN  63           HA       GLN  63 -11.479  11.989  -0.846
  503   1HB   GLN  63          1HB       GLN  63  -9.868  13.644  -2.108
  504   2HB   GLN  63          2HB       GLN  63  -9.856  12.445  -3.384
  505   1HG   GLN  63          1HG       GLN  63 -11.597  13.863  -4.038
  506   2HG   GLN  63          2HG       GLN  63 -12.458  12.544  -3.277
  507   1HE2  GLN  63          2HE2      GLN  63 -12.667  16.345  -1.739
  508   2HE2  GLN  63          1HE2      GLN  63 -11.596  15.933  -3.060
  509    H    LEU  64           H        LEU  64  -9.095  10.339  -2.853
  510    HA   LEU  64           HA       LEU  64 -10.829   8.826  -4.479
  511   1HB   LEU  64          1HB       LEU  64  -8.599   9.044  -5.201
  512   2HB   LEU  64          2HB       LEU  64  -7.948   8.587  -3.635
  513    HG   LEU  64           HG       LEU  64  -8.678   6.210  -4.023
  514   1HD1  LEU  64          1HD1      LEU  64 -10.422   6.629  -5.747
  515   2HD1  LEU  64          2HD1      LEU  64  -9.168   7.191  -6.867
  516   3HD1  LEU  64          3HD1      LEU  64  -9.180   5.506  -6.308
  517   1HD2  LEU  64          2HD2      LEU  64  -6.363   6.960  -4.394
  518   2HD2  LEU  64          3HD2      LEU  64  -6.835   5.688  -5.534
  519   3HD2  LEU  64          1HD2      LEU  64  -6.768   7.381  -6.071
  520    H    THR  65           H        THR  65  -9.320   7.897  -1.335
  521    HA   THR  65           HA       THR  65 -10.773   5.300  -1.511
  522    HB   THR  65           HB       THR  65  -9.258   4.553   0.235
  523    HG1  THR  65           HG1      THR  65  -7.949   7.087  -0.077
  524   1HG2  THR  65          1HG2      THR  65  -8.633   4.297  -2.176
  525   2HG2  THR  65          2HG2      THR  65  -7.660   5.788  -2.033
  526   3HG2  THR  65          3HG2      THR  65  -7.257   4.360  -1.064
  527    H    GLY  66           H        GLY  66 -10.035   7.674   1.069
  528   1HA   GLY  66          1HA       GLY  66 -12.176   8.469   2.277
  529   2HA   GLY  66          2HA       GLY  66 -12.384   6.748   2.633
  530    H    ALA  67           H        ALA  67  -9.049   7.051   2.578
  531    HA   ALA  67           HA       ALA  67  -8.732   8.542   5.053
  532   1HB   ALA  67          3HB       ALA  67  -7.905   5.614   4.800
  533   2HB   ALA  67          1HB       ALA  67  -7.370   6.698   6.091
  534   3HB   ALA  67          2HB       ALA  67  -9.086   6.281   5.939
  535    H    ARG  68           H        ARG  68  -6.507   9.039   5.433
  536    HA   ARG  68           HA       ARG  68  -4.949   9.010   2.859
  537   1HB   ARG  68          1HB       ARG  68  -4.575  11.186   2.985
  538   2HB   ARG  68          2HB       ARG  68  -6.103  11.160   3.863
  539   1HG   ARG  68          1HG       ARG  68  -4.753  11.231   6.023
  540   2HG   ARG  68          2HG       ARG  68  -3.319  11.480   4.997
  541   1HD   ARG  68          1HD       ARG  68  -4.926  13.326   3.882
  542   2HD   ARG  68          2HD       ARG  68  -5.685  13.266   5.482
  543    HE   ARG  68           HE       ARG  68  -2.942  13.584   5.934
  544   1HH1  ARG  68          2HH2      ARG  68  -5.634  15.329   4.385
  545   2HH1  ARG  68          1HH2      ARG  68  -4.855  16.866   4.332
  546   1HH2  ARG  68          2HH1      ARG  68  -1.954  15.784   6.110
  547   2HH2  ARG  68          1HH1      ARG  68  -2.825  17.131   5.467
  548    H    THR  69           H        THR  69  -4.769   8.368   6.361
  549    HA   THR  69           HA       THR  69  -2.132   9.237   6.662
  550    HB   THR  69           HB       THR  69  -2.235   7.659   8.683
  551    HG1  THR  69           HG1      THR  69  -4.198   6.671   9.065
  552   1HG2  THR  69          1HG2      THR  69  -4.511   9.670   8.238
  553   2HG2  THR  69          2HG2      THR  69  -3.993   9.059   9.814
  554   3HG2  THR  69          3HG2      THR  69  -2.883  10.045   8.838
  555    H    VAL  70           H        VAL  70  -0.135   8.283   6.384
  556    HA   VAL  70           HA       VAL  70  -0.274   6.021   4.525
  557    HB   VAL  70           HB       VAL  70   2.393   6.544   4.537
  558   1HG1  VAL  70          1HG1      VAL  70   0.218   8.038   3.036
  559   2HG1  VAL  70          2HG1      VAL  70   1.936   7.952   2.576
  560   3HG1  VAL  70          3HG1      VAL  70   0.951   6.486   2.587
  561   1HG2  VAL  70          2HG2      VAL  70   2.070   8.414   6.257
  562   2HG2  VAL  70          3HG2      VAL  70   2.796   8.898   4.723
  563   3HG2  VAL  70          1HG2      VAL  70   1.112   9.283   5.033
  564    HA   PRO  71           HA       PRO  71   1.720   4.527   3.748
  565   1HB   PRO  71          1HB       PRO  71   1.633   1.786   3.608
  566   2HB   PRO  71          2HB       PRO  71   3.051   2.692   4.215
  567   1HG   PRO  71          1HG       PRO  71   0.866   1.366   5.833
  568   2HG   PRO  71          2HG       PRO  71   2.651   1.356   6.081
  569   1HD   PRO  71          1HD       PRO  71   1.016   3.022   7.468
  570   2HD   PRO  71          2HD       PRO  71   2.689   3.447   6.999
  571    H    ARG  72           H        ARG  72   0.383   3.416   1.966
  572    HA   ARG  72           HA       ARG  72  -2.404   2.723   2.841
  573   1HB   ARG  72          1HB       ARG  72  -1.713   4.463   0.439
  574   2HB   ARG  72          2HB       ARG  72  -3.315   3.860   0.843
  575   1HG   ARG  72          1HG       ARG  72  -1.688   5.779   2.573
  576   2HG   ARG  72          2HG       ARG  72  -2.918   6.268   1.425
  577   1HD   ARG  72          1HD       ARG  72  -3.486   4.447   3.793
  578   2HD   ARG  72          2HD       ARG  72  -3.646   6.201   3.822
  579    HE   ARG  72           HE       ARG  72  -5.252   5.934   1.883
  580   1HH1  ARG  72          2HH2      ARG  72  -5.260   4.003   4.832
  581   2HH1  ARG  72          1HH2      ARG  72  -6.779   3.268   4.517
  582   1HH2  ARG  72          2HH1      ARG  72  -7.351   5.193   1.606
  583   2HH2  ARG  72          1HH1      ARG  72  -7.921   3.809   2.454
  584    H    VAL  73           H        VAL  73  -2.295   0.531   2.531
  585    HA   VAL  73           HA       VAL  73  -0.792  -0.584   0.247
  586    HB   VAL  73           HB       VAL  73  -2.444  -1.796   2.490
  587   1HG1  VAL  73          1HG1      VAL  73  -1.065  -3.264   0.178
  588   2HG1  VAL  73          2HG1      VAL  73  -1.686  -4.051   1.640
  589   3HG1  VAL  73          3HG1      VAL  73  -2.794  -3.254   0.546
  590   1HG2  VAL  73          3HG2      VAL  73   0.536  -1.948   1.966
  591   2HG2  VAL  73          1HG2      VAL  73  -0.267  -1.080   3.288
  592   3HG2  VAL  73          2HG2      VAL  73  -0.339  -2.841   3.209
  593    H    PHE  74           H        PHE  74  -1.714  -0.960  -1.696
  594    HA   PHE  74           HA       PHE  74  -4.655  -1.266  -1.964
  595   1HB   PHE  74          1HB       PHE  74  -2.591  -0.199  -3.929
  596   2HB   PHE  74          2HB       PHE  74  -4.191  -0.739  -4.382
  597    HD1  PHE  74          1HD       PHE  74  -2.431   1.759  -2.196
  598    HD2  PHE  74          2HD       PHE  74  -6.032   0.767  -4.365
  599    HE1  PHE  74          1HE       PHE  74  -3.301   4.061  -1.847
  600    HE2  PHE  74          2HE       PHE  74  -6.851   3.071  -4.070
  601    HZ   PHE  74           HZ       PHE  74  -5.480   4.733  -2.820
  602    H    ILE  75           H        ILE  75  -4.960  -3.418  -1.907
  603    HA   ILE  75           HA       ILE  75  -3.084  -5.287  -3.261
  604    HB   ILE  75           HB       ILE  75  -4.956  -5.467  -0.993
  605   1HG1  ILE  75          1HG1      ILE  75  -3.607  -7.624  -0.623
  606   2HG1  ILE  75          2HG1      ILE  75  -2.648  -7.118  -2.038
  607   1HG2  ILE  75          2HG2      ILE  75  -5.033  -7.686  -3.073
  608   2HG2  ILE  75          3HG2      ILE  75  -5.653  -7.784  -1.419
  609   3HG2  ILE  75          1HG2      ILE  75  -6.417  -6.690  -2.548
  610   1HD1  ILE  75          2HD1      ILE  75  -2.176  -5.047  -0.754
  611   2HD1  ILE  75          3HD1      ILE  75  -2.905  -5.845   0.661
  612   3HD1  ILE  75          1HD1      ILE  75  -1.467  -6.546  -0.106
  613    H    GLY  76           H        GLY  76  -3.365  -4.927  -5.426
  614   1HA   GLY  76          1HA       GLY  76  -4.353  -4.745  -7.467
  615   2HA   GLY  76          2HA       GLY  76  -5.533  -5.910  -6.854
  616    H    LYS  77           H        LYS  77  -4.799  -2.388  -6.705
  617    HA   LYS  77           HA       LYS  77  -5.935  -0.624  -6.204
  618   1HB   LYS  77          1HB       LYS  77  -6.752  -1.536  -8.688
  619   2HB   LYS  77          2HB       LYS  77  -8.276  -1.294  -7.858
  620   1HG   LYS  77          1HG       LYS  77  -6.934   1.030  -7.190
  621   2HG   LYS  77          2HG       LYS  77  -6.229   0.642  -8.769
  622   1HD   LYS  77          1HD       LYS  77  -8.118   1.997  -9.308
  623   2HD   LYS  77          2HD       LYS  77  -8.673   0.333  -9.588
  624   1HE   LYS  77          1HE       LYS  77  -9.478   0.454  -7.085
  625   2HE   LYS  77          2HE       LYS  77  -9.307   2.198  -7.261
  626   1HZ   LYS  77          1HZ       LYS  77 -10.902   1.997  -9.148
  627   2HZ   LYS  77          2HZ       LYS  77 -11.038   0.386  -8.812
  628   3HZ   LYS  77          3HZ       LYS  77 -11.528   1.488  -7.703
  629    H    ASP  78           H        ASP  78  -6.986  -3.178  -4.563
  630    HA   ASP  78           HA       ASP  78  -9.330  -1.719  -3.443
  631   1HB   ASP  78          1HB       ASP  78  -9.450  -4.170  -4.054
  632   2HB   ASP  78          2HB       ASP  78  -8.312  -4.486  -2.738
  633    H    CYS  79           H        CYS  79  -8.551  -0.113  -2.129
  634    HA   CYS  79           HA       CYS  79  -6.045  -0.435  -0.735
  635   1HB   CYS  79          1HB       CYS  79  -6.976   1.779  -1.489
  636   2HB   CYS  79          2HB       CYS  79  -8.128   1.676  -0.150
  637    HG   CYS  79           HG       CYS  79  -4.878   1.169   0.164
  638    H    ILE  80           H        ILE  80  -5.782  -1.720   1.016
  639    HA   ILE  80           HA       ILE  80  -8.092  -2.746   2.454
  640    HB   ILE  80           HB       ILE  80  -6.647  -4.299   3.342
  641   1HG1  ILE  80          1HG1      ILE  80  -4.073  -4.094   2.593
  642   2HG1  ILE  80          2HG1      ILE  80  -4.476  -2.372   2.654
  643   1HG2  ILE  80          3HG2      ILE  80  -7.219  -4.550   0.918
  644   2HG2  ILE  80          1HG2      ILE  80  -5.627  -3.882   0.516
  645   3HG2  ILE  80          2HG2      ILE  80  -5.752  -5.409   1.417
  646   1HD1  ILE  80          1HD1      ILE  80  -5.350  -2.855   5.060
  647   2HD1  ILE  80          2HD1      ILE  80  -4.587  -4.434   4.872
  648   3HD1  ILE  80          3HD1      ILE  80  -3.614  -2.945   4.783
  649    H    GLY  81           H        GLY  81  -5.661  -0.309   2.922
  650   1HA   GLY  81          1HA       GLY  81  -6.686   1.322   4.676
  651   2HA   GLY  81          2HA       GLY  81  -6.395  -0.026   5.770
  652    H    GLY  82           H        GLY  82  -5.156   1.732   6.744
  653   1HA   GLY  82          1HA       GLY  82  -2.405   2.039   5.728
  654   2HA   GLY  82          2HA       GLY  82  -3.118   2.929   7.094
  655    H    CYS  83           H        CYS  83  -1.155   2.238   8.370
  656    HA   CYS  83           HA       CYS  83  -0.315  -0.520   8.256
  657   1HB   CYS  83          1HB       CYS  83   1.301   0.126  10.028
  658   2HB   CYS  83          2HB       CYS  83   1.412   1.116   8.577
  659    HG   CYS  83           HG       CYS  83   0.691   1.727  11.635
  660    H    SER  84           H        SER  84  -2.255   1.512  10.522
  661    HA   SER  84           HA       SER  84  -2.293  -0.485  12.509
  662   1HB   SER  84          1HB       SER  84  -4.266   1.774  12.001
  663   2HB   SER  84          2HB       SER  84  -4.107   0.840  13.507
  664    HG   SER  84           HG       SER  84  -2.892   2.654  13.776
  665    H    ASP  85           H        ASP  85  -4.293  -0.032   9.628
  666    HA   ASP  85           HA       ASP  85  -6.315  -2.014  10.441
  667   1HB   ASP  85          1HB       ASP  85  -5.720  -0.420   7.940
  668   2HB   ASP  85          2HB       ASP  85  -6.754  -1.845   7.830
  669    H    LEU  86           H        LEU  86  -3.550  -1.817   8.207
  670    HA   LEU  86           HA       LEU  86  -3.517  -4.370   7.163
  671   1HB   LEU  86          1HB       LEU  86  -2.131  -2.460   6.418
  672   2HB   LEU  86          2HB       LEU  86  -1.231  -2.532   7.920
  673    HG   LEU  86           HG       LEU  86  -0.368  -4.795   7.294
  674   1HD1  LEU  86          2HD1      LEU  86  -1.684  -4.217   4.603
  675   2HD1  LEU  86          3HD1      LEU  86  -0.529  -5.520   4.949
  676   3HD1  LEU  86          1HD1      LEU  86  -2.116  -5.526   5.727
  677   1HD2  LEU  86          1HD2      LEU  86   0.135  -2.518   5.346
  678   2HD2  LEU  86          2HD2      LEU  86   0.899  -2.750   6.915
  679   3HD2  LEU  86          3HD2      LEU  86   1.219  -3.906   5.634
  680    H    VAL  87           H        VAL  87  -2.295  -3.397  10.472
  681    HA   VAL  87           HA       VAL  87  -0.915  -5.779  11.019
  682    HB   VAL  87           HB       VAL  87  -2.276  -3.545  12.565
  683   1HG1  VAL  87          3HG1      VAL  87  -1.027  -6.022  13.796
  684   2HG1  VAL  87          1HG1      VAL  87  -1.435  -4.513  14.669
  685   3HG1  VAL  87          2HG1      VAL  87  -2.718  -5.492  13.954
  686   1HG2  VAL  87          2HG2      VAL  87   0.025  -3.237  11.587
  687   2HG2  VAL  87          3HG2      VAL  87  -0.034  -3.062  13.337
  688   3HG2  VAL  87          1HG2      VAL  87   0.600  -4.557  12.616
  689    H    SER  88           H        SER  88  -4.484  -4.935  11.412
  690    HA   SER  88           HA       SER  88  -5.057  -7.475  12.655
  691   1HB   SER  88          1HB       SER  88  -6.672  -5.256  11.461
  692   2HB   SER  88          2HB       SER  88  -7.319  -6.868  11.155
  693    HG   SER  88           HG       SER  88  -8.160  -6.302  13.062
  694    H    LEU  89           H        LEU  89  -5.104  -6.264   9.228
  695    HA   LEU  89           HA       LEU  89  -6.223  -8.709   8.284
  696   1HB   LEU  89          1HB       LEU  89  -4.562  -6.656   6.776
  697   2HB   LEU  89          2HB       LEU  89  -5.279  -8.096   6.079
  698    HG   LEU  89           HG       LEU  89  -7.545  -7.262   7.016
  699   1HD1  LEU  89          3HD1      LEU  89  -5.960  -4.669   6.864
  700   2HD1  LEU  89          1HD1      LEU  89  -7.731  -4.765   6.781
  701   3HD1  LEU  89          2HD1      LEU  89  -6.906  -5.309   8.230
  702   1HD2  LEU  89          1HD2      LEU  89  -6.134  -6.148   4.564
  703   2HD2  LEU  89          2HD2      LEU  89  -7.053  -7.665   4.677
  704   3HD2  LEU  89          3HD2      LEU  89  -7.887  -6.126   4.837
  705    H    GLN  90           H        GLN  90  -2.820  -7.886   9.068
  706    HA   GLN  90           HA       GLN  90  -1.831 -10.385   7.986
  707   1HB   GLN  90          1HB       GLN  90  -0.361  -8.383   8.491
  708   2HB   GLN  90          2HB       GLN  90  -0.658  -8.644  10.209
  709   1HG   GLN  90          1HG       GLN  90   0.276 -11.009   9.941
  710   2HG   GLN  90          2HG       GLN  90   0.737 -10.563   8.296
  711   1HE2  GLN  90          2HE2      GLN  90   3.801  -9.331   9.596
  712   2HE2  GLN  90          1HE2      GLN  90   2.991  -9.978   8.191
  713    H    GLN  91           H        GLN  91  -2.485  -9.288  11.398
  714    HA   GLN  91           HA       GLN  91  -1.862 -11.692  12.619
  715   1HB   GLN  91          1HB       GLN  91  -2.580  -9.014  13.263
  716   2HB   GLN  91          2HB       GLN  91  -3.770  -9.959  14.090
  717   1HG   GLN  91          1HG       GLN  91  -0.803 -10.607  14.311
  718   2HG   GLN  91          2HG       GLN  91  -1.481  -9.218  15.140
  719   1HE2  GLN  91          2HE2      GLN  91  -3.479 -11.316  17.381
  720   2HE2  GLN  91          1HE2      GLN  91  -3.693  -9.839  16.437
  721    H    SER  92           H        SER  92  -5.097 -10.368  11.860
  722    HA   SER  92           HA       SER  92  -6.560 -12.757  12.683
  723   1HB   SER  92          1HB       SER  92  -7.140  -9.951  11.974
  724   2HB   SER  92          2HB       SER  92  -8.187 -11.059  11.096
  725    HG   SER  92           HG       SER  92  -9.208 -11.367  12.832
  726    H    GLY  93           H        GLY  93  -4.549 -12.122  10.026
  727   1HA   GLY  93          1HA       GLY  93  -4.113 -13.457   8.291
  728   2HA   GLY  93          2HA       GLY  93  -5.465 -14.483   8.748
  729    H    GLU  94           H        GLU  94  -6.745 -11.317   8.230
  730    HA   GLU  94           HA       GLU  94  -8.255 -12.323   6.013
  731   1HB   GLU  94          1HB       GLU  94  -8.858 -10.476   7.700
  732   2HB   GLU  94          2HB       GLU  94  -7.696  -9.455   6.868
  733   1HG   GLU  94          1HG       GLU  94  -9.781  -8.779   6.039
  734   2HG   GLU  94          2HG       GLU  94  -9.089  -9.740   4.742
  735    H    LEU  95           H        LEU  95  -5.256 -10.512   6.197
  736    HA   LEU  95           HA       LEU  95  -5.206  -9.483   3.572
  737   1HB   LEU  95          1HB       LEU  95  -3.517  -9.084   5.649
  738   2HB   LEU  95          2HB       LEU  95  -2.658 -10.402   4.931
  739    HG   LEU  95           HG       LEU  95  -2.633  -9.085   2.743
  740   1HD1  LEU  95          3HD1      LEU  95  -3.748  -6.850   4.494
  741   2HD1  LEU  95          1HD1      LEU  95  -3.042  -6.632   2.886
  742   3HD1  LEU  95          2HD1      LEU  95  -4.536  -7.545   3.063
  743   1HD2  LEU  95          2HD2      LEU  95  -1.440  -7.846   5.253
  744   2HD2  LEU  95          3HD2      LEU  95  -0.729  -9.102   4.218
  745   3HD2  LEU  95          1HD2      LEU  95  -0.965  -7.473   3.579
  746    H    LEU  96           H        LEU  96  -4.489 -12.713   4.806
  747    HA   LEU  96           HA       LEU  96  -2.766 -13.452   2.609
  748   1HB   LEU  96          1HB       LEU  96  -4.290 -15.045   4.717
  749   2HB   LEU  96          2HB       LEU  96  -3.346 -15.831   3.487
  750    HG   LEU  96           HG       LEU  96  -2.243 -15.642   5.709
  751   1HD1  LEU  96          1HD1      LEU  96  -0.925 -16.073   3.719
  752   2HD1  LEU  96          2HD1      LEU  96  -0.720 -14.323   3.430
  753   3HD1  LEU  96          3HD1      LEU  96  -0.012 -15.099   4.862
  754   1HD2  LEU  96          3HD2      LEU  96  -2.895 -13.303   6.307
  755   2HD2  LEU  96          1HD2      LEU  96  -1.170 -13.629   6.476
  756   3HD2  LEU  96          2HD2      LEU  96  -1.748 -12.708   5.082
  757    H    THR  97           H        THR  97  -6.334 -13.806   3.245
  758    HA   THR  97           HA       THR  97  -6.730 -15.157   0.707
  759    HB   THR  97           HB       THR  97  -8.729 -13.593   2.394
  760    HG1  THR  97           HG1      THR  97  -9.040 -15.468   3.545
  761   1HG2  THR  97          2HG2      THR  97  -8.989 -16.036   0.564
  762   2HG2  THR  97          3HG2      THR  97 -10.313 -15.293   1.485
  763   3HG2  THR  97          1HG2      THR  97  -9.533 -14.388   0.180
  764    H    ARG  98           H        ARG  98  -7.131 -11.751   1.908
  765    HA   ARG  98           HA       ARG  98  -8.014 -10.598  -0.481
  766   1HB   ARG  98          1HB       ARG  98  -6.775  -9.703   2.030
  767   2HB   ARG  98          2HB       ARG  98  -6.256  -8.685   0.706
  768   1HG   ARG  98          1HG       ARG  98  -9.185  -9.382   1.030
  769   2HG   ARG  98          2HG       ARG  98  -8.463  -8.150   2.066
  770   1HD   ARG  98          1HD       ARG  98  -8.186  -6.621   0.376
  771   2HD   ARG  98          2HD       ARG  98  -7.859  -7.842  -0.833
  772    HE   ARG  98           HE       ARG  98 -10.010  -7.694  -1.519
  773   1HH1  ARG  98          2HH2      ARG  98 -10.162  -6.664   1.922
  774   2HH1  ARG  98          1HH2      ARG  98 -11.899  -6.757   1.930
  775   1HH2  ARG  98          2HH1      ARG  98 -12.352  -7.480  -1.442
  776   2HH2  ARG  98          1HH1      ARG  98 -13.048  -7.014   0.074
  777    H    LEU  99           H        LEU  99  -4.631 -11.343   0.408
  778    HA   LEU  99           HA       LEU  99  -3.505 -10.311  -2.035
  779   1HB   LEU  99          1HB       LEU  99  -2.659 -12.272   0.160
  780   2HB   LEU  99          2HB       LEU  99  -1.614 -12.012  -1.210
  781    HG   LEU  99           HG       LEU  99  -2.551  -9.671   0.469
  782   1HD1  LEU  99          1HD1      LEU  99  -0.081 -11.420   0.855
  783   2HD1  LEU  99          2HD1      LEU  99  -0.379  -9.865   1.671
  784   3HD1  LEU  99          3HD1      LEU  99  -1.433 -11.250   1.985
  785   1HD2  LEU  99          1HD2      LEU  99  -0.157 -10.112  -1.369
  786   2HD2  LEU  99          2HD2      LEU  99  -1.595  -9.163  -1.756
  787   3HD2  LEU  99          3HD2      LEU  99  -0.509  -8.636  -0.455
  788    H    LYS 100           H        LYS 100  -4.372 -13.723  -1.096
  789    HA   LYS 100           HA       LYS 100  -3.622 -14.643  -3.724
  790   1HB   LYS 100          1HB       LYS 100  -4.992 -15.780  -1.339
  791   2HB   LYS 100          2HB       LYS 100  -5.506 -16.484  -2.838
  792   1HG   LYS 100          1HG       LYS 100  -2.599 -16.224  -2.944
  793   2HG   LYS 100          2HG       LYS 100  -3.016 -16.859  -1.389
  794   1HD   LYS 100          1HD       LYS 100  -4.345 -18.716  -2.514
  795   2HD   LYS 100          2HD       LYS 100  -3.871 -18.039  -4.080
  796   1HE   LYS 100          1HE       LYS 100  -1.434 -18.261  -2.876
  797   2HE   LYS 100          2HE       LYS 100  -2.254 -19.610  -2.090
  798   1HZ   LYS 100          1HZ       LYS 100  -2.058 -19.233  -5.034
  799   2HZ   LYS 100          2HZ       LYS 100  -0.966 -20.067  -4.202
  800   3HZ   LYS 100          3HZ       LYS 100  -2.559 -20.579  -4.269
  801    H    GLN 101           H        GLN 101  -6.591 -13.112  -2.642
  802    HA   GLN 101           HA       GLN 101  -8.294 -13.586  -4.732
  803   1HB   GLN 101          1HB       GLN 101  -8.251 -11.815  -2.663
  804   2HB   GLN 101          2HB       GLN 101  -7.783 -10.729  -3.948
  805   1HG   GLN 101          1HG       GLN 101  -9.997 -10.438  -4.190
  806   2HG   GLN 101          2HG       GLN 101  -9.929 -11.909  -5.157
  807   1HE2  GLN 101          2HE2      GLN 101 -12.553 -12.009  -2.309
  808   2HE2  GLN 101          1HE2      GLN 101 -12.264 -10.903  -3.632
  809    H    ILE 102           H        ILE 102  -5.318 -11.477  -4.777
  810    HA   ILE 102           HA       ILE 102  -5.955 -10.748  -7.578
  811    HB   ILE 102           HB       ILE 102  -4.437  -8.988  -7.373
  812   1HG1  ILE 102          1HG1      ILE 102  -3.676  -9.276  -4.499
  813   2HG1  ILE 102          2HG1      ILE 102  -3.042 -10.480  -5.540
  814   1HG2  ILE 102          1HG2      ILE 102  -6.622  -8.687  -6.303
  815   2HG2  ILE 102          2HG2      ILE 102  -5.923  -9.205  -4.738
  816   3HG2  ILE 102          3HG2      ILE 102  -5.329  -7.726  -5.511
  817   1HD1  ILE 102          1HD1      ILE 102  -2.044  -8.767  -7.030
  818   2HD1  ILE 102          2HD1      ILE 102  -2.759  -7.492  -6.013
  819   3HD1  ILE 102          3HD1      ILE 102  -1.502  -8.559  -5.352
  820    H    GLY 103           H        GLY 103  -4.347 -13.333  -6.246
  821   1HA   GLY 103          1HA       GLY 103  -3.031 -14.894  -7.400
  822   2HA   GLY 103          2HA       GLY 103  -2.697 -13.720  -8.664
  823    H    ALA 104           H        ALA 104  -2.115 -14.044  -5.154
  824    HA   ALA 104           HA       ALA 104   0.589 -12.728  -5.458
  825   1HB   ALA 104          3HB       ALA 104  -1.430 -12.814  -3.171
  826   2HB   ALA 104          1HB       ALA 104   0.122 -11.978  -3.096
  827   3HB   ALA 104          2HB       ALA 104  -1.167 -11.398  -4.202
  828    H    LEU 105           H        LEU 105  -0.920 -14.801  -2.697
  829    HA   LEU 105           HA       LEU 105   1.677 -15.774  -2.284
  830   1HB   LEU 105          1HB       LEU 105  -0.654 -17.399  -1.416
  831   2HB   LEU 105          2HB       LEU 105   0.843 -17.005  -0.637
  832    HG   LEU 105           HG       LEU 105  -1.494 -15.091  -0.851
  833   1HD1  LEU 105          1HD1      LEU 105  -1.880 -17.096   0.606
  834   2HD1  LEU 105          2HD1      LEU 105  -0.431 -16.672   1.526
  835   3HD1  LEU 105          3HD1      LEU 105  -1.841 -15.578   1.502
  836   1HD2  LEU 105          2HD2      LEU 105   1.100 -14.867   0.738
  837   2HD2  LEU 105          3HD2      LEU 105   0.672 -13.886  -0.670
  838   3HD2  LEU 105          1HD2      LEU 105  -0.276 -13.750   0.824
  839    H    GLN 106           H        GLN 106   2.638 -17.591  -3.027
  840    HA   GLN 106           HA       GLN 106   1.921 -17.765  -5.787
  841   1HB   GLN 106          2HB       GLN 106   4.188 -17.212  -4.638
  842   2HB   GLN 106          3HB       GLN 106   4.387 -18.960  -4.522
  843   1HG   GLN 106          2HG       GLN 106   3.604 -18.437  -7.233
  844   2HG   GLN 106          3HG       GLN 106   4.702 -17.125  -6.806
  845   1HE2  GLN 106          2HE2      GLN 106   6.027 -21.071  -6.846
  846   2HE2  GLN 106          1HE2      GLN 106   4.366 -20.632  -6.413
   
  No H/Q in entry =         846
  Start of MODEL   17
    1   1H    ALA   2          1H        ALA   2  -2.249  16.415  -9.703
    2   2H    ALA   2          2H        ALA   2  -2.124  16.593  -8.074
    3   3H    ALA   2          3H        ALA   2  -0.830  16.878  -9.020
    4    HA   ALA   2           HA       ALA   2  -0.717  14.610  -9.707
    5   1HB   ALA   2          2HB       ALA   2   0.544  15.418  -7.681
    6   2HB   ALA   2          3HB       ALA   2  -0.783  14.803  -6.674
    7   3HB   ALA   2          1HB       ALA   2   0.154  13.678  -7.671
    8    H    GLN   3           H        GLN   3  -2.043  12.981 -10.302
    9    HA   GLN   3           HA       GLN   3  -3.736  11.781  -8.255
   10   1HB   GLN   3          1HB       GLN   3  -4.906  12.258 -11.032
   11   2HB   GLN   3          2HB       GLN   3  -5.575  11.228  -9.764
   12   1HG   GLN   3          1HG       GLN   3  -5.590  13.351  -8.282
   13   2HG   GLN   3          2HG       GLN   3  -5.338  14.251  -9.776
   14   1HE2  GLN   3          2HE2      GLN   3  -8.735  12.739 -10.858
   15   2HE2  GLN   3          1HE2      GLN   3  -7.129  12.362 -11.413
   16    H    GLU   4           H        GLU   4  -2.766  11.450 -11.747
   17    HA   GLU   4           HA       GLU   4  -2.785   8.662 -11.637
   18   1HB   GLU   4          1HB       GLU   4  -1.602  10.629 -13.575
   19   2HB   GLU   4          2HB       GLU   4  -1.055   8.956 -13.661
   20   1HG   GLU   4          1HG       GLU   4  -2.868   9.009 -15.135
   21   2HG   GLU   4          2HG       GLU   4  -3.499   8.221 -13.693
   22    H    PHE   5           H        PHE   5  -0.237  10.697 -10.350
   23    HA   PHE   5           HA       PHE   5   1.904   8.879 -10.347
   24   1HB   PHE   5          1HB       PHE   5   1.877  11.197  -9.353
   25   2HB   PHE   5          2HB       PHE   5   1.039  10.550  -7.955
   26    HD1  PHE   5          2HD       PHE   5   2.230   8.901  -6.432
   27    HD2  PHE   5          1HD       PHE   5   4.253  10.837  -9.722
   28    HE1  PHE   5          2HE       PHE   5   4.435   8.330  -5.441
   29    HE2  PHE   5          1HE       PHE   5   6.428  10.225  -8.734
   30    HZ   PHE   5           HZ       PHE   5   6.530   8.979  -6.579
   31    H    VAL   6           H        VAL   6  -0.990   8.989  -8.270
   32    HA   VAL   6           HA       VAL   6  -0.401   6.395  -7.029
   33    HB   VAL   6           HB       VAL   6  -2.647   8.427  -6.791
   34   1HG1  VAL   6          1HG1      VAL   6  -2.463   5.759  -5.348
   35   2HG1  VAL   6          2HG1      VAL   6  -3.576   7.071  -4.958
   36   3HG1  VAL   6          3HG1      VAL   6  -3.714   6.236  -6.511
   37   1HG2  VAL   6          1HG2      VAL   6  -0.510   8.955  -5.611
   38   2HG2  VAL   6          2HG2      VAL   6  -1.862   8.679  -4.500
   39   3HG2  VAL   6          3HG2      VAL   6  -0.640   7.421  -4.729
   40    H    ASN   7           H        ASN   7  -2.946   7.850  -9.119
   41    HA   ASN   7           HA       ASN   7  -4.314   5.414  -9.193
   42   1HB   ASN   7          1HB       ASN   7  -5.146   7.882  -9.562
   43   2HB   ASN   7          2HB       ASN   7  -4.863   7.546 -11.271
   44   1HD2  ASN   7          2HD2      ASN   7  -8.354   6.569 -10.927
   45   2HD2  ASN   7          1HD2      ASN   7  -7.335   7.900 -11.415
   46    H    CYS   8           H        CYS   8  -1.634   6.224 -11.185
   47    HA   CYS   8           HA       CYS   8  -2.383   4.095 -13.129
   48   1HB   CYS   8          1HB       CYS   8  -1.724   6.451 -13.936
   49   2HB   CYS   8          2HB       CYS   8  -0.075   6.024 -13.431
   50    HG   CYS   8           HG       CYS   8  -0.207   3.631 -14.739
   51    H    LYS   9           H        LYS   9  -0.360   4.626 -10.325
   52    HA   LYS   9           HA       LYS   9   1.712   2.699 -11.029
   53   1HB   LYS   9          1HB       LYS   9   0.682   3.902  -8.442
   54   2HB   LYS   9          2HB       LYS   9   1.655   2.445  -8.359
   55   1HG   LYS   9          1HG       LYS   9   2.628   4.962  -9.740
   56   2HG   LYS   9          2HG       LYS   9   2.885   4.623  -8.030
   57   1HD   LYS   9          1HD       LYS   9   4.086   2.546  -8.626
   58   2HD   LYS   9          2HD       LYS   9   3.830   2.908 -10.353
   59   1HE   LYS   9          1HE       LYS   9   5.140   4.952 -10.169
   60   2HE   LYS   9          2HE       LYS   9   5.369   4.699  -8.430
   61   1HZ   LYS   9          1HZ       LYS   9   6.251   2.747 -10.463
   62   2HZ   LYS   9          2HZ       LYS   9   7.236   3.910  -9.863
   63   3HZ   LYS   9          3HZ       LYS   9   6.628   2.752  -8.869
   64    H    ILE  10           H        ILE  10  -1.299   2.539  -9.104
   65    HA   ILE  10           HA       ILE  10  -1.048  -0.283  -8.695
   66    HB   ILE  10           HB       ILE  10  -3.683   1.143  -8.496
   67   1HG1  ILE  10          1HG1      ILE  10  -2.169   1.452  -5.974
   68   2HG1  ILE  10          2HG1      ILE  10  -1.556   2.480  -7.245
   69   1HG2  ILE  10          2HG2      ILE  10  -2.248  -0.916  -6.760
   70   2HG2  ILE  10          3HG2      ILE  10  -3.824  -0.203  -6.392
   71   3HG2  ILE  10          1HG2      ILE  10  -3.635  -1.191  -7.843
   72   1HD1  ILE  10          1HD1      ILE  10  -4.482   2.327  -6.450
   73   2HD1  ILE  10          2HD1      ILE  10  -3.343   3.604  -5.986
   74   3HD1  ILE  10          3HD1      ILE  10  -3.785   3.394  -7.689
   75    H    GLN  11           H        GLN  11  -2.350  -1.964  -9.576
   76    HA   GLN  11           HA       GLN  11  -4.434  -1.414 -11.458
   77   1HB   GLN  11          1HB       GLN  11  -3.633  -2.671 -13.313
   78   2HB   GLN  11          2HB       GLN  11  -2.318  -1.622 -12.855
   79   1HG   GLN  11          1HG       GLN  11  -1.565  -3.739 -11.404
   80   2HG   GLN  11          2HG       GLN  11  -2.535  -4.611 -12.579
   81   1HE2  GLN  11          2HE2      GLN  11  -0.272  -3.561 -15.324
   82   2HE2  GLN  11          1HE2      GLN  11  -1.990  -3.462 -15.039
   83    HA   PRO  12           HA       PRO  12  -6.165  -4.373  -9.037
   84   1HB   PRO  12          1HB       PRO  12  -7.820  -6.043 -10.449
   85   2HB   PRO  12          2HB       PRO  12  -7.985  -4.261 -10.511
   86   1HG   PRO  12          1HG       PRO  12  -6.457  -6.054 -12.435
   87   2HG   PRO  12          2HG       PRO  12  -7.690  -4.816 -12.829
   88   1HD   PRO  12          1HD       PRO  12  -5.014  -4.315 -12.911
   89   2HD   PRO  12          2HD       PRO  12  -6.167  -3.047 -12.401
   90    H    GLY  13           H        GLY  13  -3.638  -5.373 -10.017
   91   1HA   GLY  13          1HA       GLY  13  -3.555  -8.054  -8.786
   92   2HA   GLY  13          2HA       GLY  13  -3.046  -7.966 -10.459
   93    H    LYS  14           H        LYS  14  -2.311  -5.074  -8.626
   94    HA   LYS  14           HA       LYS  14   0.477  -6.026  -8.122
   95   1HB   LYS  14          1HB       LYS  14  -0.246  -3.875  -9.741
   96   2HB   LYS  14          2HB       LYS  14  -0.058  -3.094  -8.182
   97   1HG   LYS  14          1HG       LYS  14   2.212  -4.316  -8.090
   98   2HG   LYS  14          2HG       LYS  14   1.978  -4.716  -9.786
   99   1HD   LYS  14          1HD       LYS  14   1.782  -1.848  -8.789
  100   2HD   LYS  14          2HD       LYS  14   3.359  -2.573  -9.020
  101   1HE   LYS  14          1HE       LYS  14   1.354  -2.754 -11.264
  102   2HE   LYS  14          2HE       LYS  14   2.093  -1.185 -10.917
  103   1HZ   LYS  14          1HZ       LYS  14   3.623  -3.638 -11.471
  104   2HZ   LYS  14          2HZ       LYS  14   3.358  -2.404 -12.536
  105   3HZ   LYS  14          3HZ       LYS  14   4.246  -2.154 -11.155
  106    H    VAL  15           H        VAL  15   1.338  -5.516  -5.984
  107    HA   VAL  15           HA       VAL  15  -0.684  -4.636  -4.029
  108    HB   VAL  15           HB       VAL  15   1.965  -6.073  -3.624
  109   1HG1  VAL  15          2HG1      VAL  15  -0.454  -5.546  -1.900
  110   2HG1  VAL  15          3HG1      VAL  15   0.937  -6.515  -1.366
  111   3HG1  VAL  15          1HG1      VAL  15   1.106  -4.775  -1.668
  112   1HG2  VAL  15          3HG2      VAL  15  -0.828  -7.272  -3.708
  113   2HG2  VAL  15          1HG2      VAL  15   0.495  -7.602  -4.847
  114   3HG2  VAL  15          2HG2      VAL  15   0.658  -8.101  -3.177
  115    H    VAL  16           H        VAL  16  -0.507  -2.349  -4.384
  116    HA   VAL  16           HA       VAL  16   2.266  -1.226  -4.305
  117    HB   VAL  16           HB       VAL  16  -0.375   0.045  -5.104
  118   1HG1  VAL  16          2HG1      VAL  16   2.431   1.228  -4.953
  119   2HG1  VAL  16          3HG1      VAL  16   1.082   1.971  -5.834
  120   3HG1  VAL  16          1HG1      VAL  16   0.995   1.796  -4.079
  121   1HG2  VAL  16          2HG2      VAL  16   2.164  -0.753  -6.607
  122   2HG2  VAL  16          3HG2      VAL  16   0.568  -1.505  -6.758
  123   3HG2  VAL  16          1HG2      VAL  16   0.818   0.155  -7.324
  124    H    VAL  17           H        VAL  17   2.906   0.132  -2.653
  125    HA   VAL  17           HA       VAL  17   0.884   0.827  -0.599
  126    HB   VAL  17           HB       VAL  17   3.750   0.283   0.168
  127   1HG1  VAL  17          2HG1      VAL  17   1.129   0.362   1.704
  128   2HG1  VAL  17          3HG1      VAL  17   2.728   0.031   2.412
  129   3HG1  VAL  17          1HG1      VAL  17   2.370   1.611   1.691
  130   1HG2  VAL  17          3HG2      VAL  17   1.530  -1.794   0.193
  131   2HG2  VAL  17          1HG2      VAL  17   3.036  -1.864  -0.744
  132   3HG2  VAL  17          2HG2      VAL  17   3.115  -1.923   1.009
  133    H    PHE  18           H        PHE  18   0.706   3.018  -0.653
  134    HA   PHE  18           HA       PHE  18   2.964   4.628  -1.707
  135   1HB   PHE  18          1HB       PHE  18   0.205   5.447  -0.695
  136   2HB   PHE  18          2HB       PHE  18   1.403   6.556  -1.370
  137    HD1  PHE  18          1HD       PHE  18   2.216   6.264  -3.748
  138    HD2  PHE  18          2HD       PHE  18  -1.065   3.980  -2.134
  139    HE1  PHE  18          1HE       PHE  18   1.556   5.585  -6.043
  140    HE2  PHE  18          2HE       PHE  18  -1.723   3.305  -4.416
  141    HZ   PHE  18           HZ       PHE  18  -0.435   4.144  -6.380
  142    H    ILE  19           H        ILE  19   4.431   5.588  -0.385
  143    HA   ILE  19           HA       ILE  19   4.081   5.497   2.554
  144    HB   ILE  19           HB       ILE  19   6.300   4.389   2.695
  145   1HG1  ILE  19          1HG1      ILE  19   6.213   3.499  -0.176
  146   2HG1  ILE  19          2HG1      ILE  19   6.856   5.094   0.172
  147   1HG2  ILE  19          2HG2      ILE  19   4.249   3.023   2.807
  148   2HG2  ILE  19          3HG2      ILE  19   4.369   2.709   1.064
  149   3HG2  ILE  19          1HG2      ILE  19   5.639   2.142   2.147
  150   1HD1  ILE  19          1HD1      ILE  19   7.896   2.596   1.510
  151   2HD1  ILE  19          2HD1      ILE  19   8.603   3.382   0.088
  152   3HD1  ILE  19          3HD1      ILE  19   8.544   4.246   1.641
  153    H    LYS  20           H        LYS  20   6.220   6.389   3.578
  154    HA   LYS  20           HA       LYS  20   7.845   8.001   1.833
  155   1HB   LYS  20          1HB       LYS  20   7.936   9.951   3.286
  156   2HB   LYS  20          2HB       LYS  20   6.351   9.726   2.561
  157   1HG   LYS  20          1HG       LYS  20   5.574   8.729   4.788
  158   2HG   LYS  20          2HG       LYS  20   7.167   9.148   5.442
  159   1HD   LYS  20          1HD       LYS  20   5.688  10.910   6.081
  160   2HD   LYS  20          2HD       LYS  20   6.727  11.548   4.796
  161   1HE   LYS  20          1HE       LYS  20   4.819  10.917   3.161
  162   2HE   LYS  20          2HE       LYS  20   3.822  10.629   4.592
  163   1HZ   LYS  20          2HZ       LYS  20   5.103  13.215   3.936
  164   2HZ   LYS  20          3HZ       LYS  20   3.497  12.842   3.713
  165   3HZ   LYS  20          1HZ       LYS  20   4.106  12.946   5.197
  166    HA   PRO  21           HA       PRO  21  10.567   5.449   3.941
  167   1HB   PRO  21          1HB       PRO  21  12.975   6.851   4.014
  168   2HB   PRO  21          2HB       PRO  21  12.268   6.119   2.543
  169   1HG   PRO  21          1HG       PRO  21  12.036   8.991   3.496
  170   2HG   PRO  21          2HG       PRO  21  12.463   8.397   1.857
  171   1HD   PRO  21          1HD       PRO  21   9.933   9.139   2.411
  172   2HD   PRO  21          2HD       PRO  21  10.235   7.653   1.459
  173    H    THR  22           H        THR  22  10.370   8.744   5.369
  174    HA   THR  22           HA       THR  22  11.776   8.164   7.755
  175    HB   THR  22           HB       THR  22  10.513  10.264   8.504
  176    HG1  THR  22           HG1      THR  22   9.183  11.181   7.186
  177   1HG2  THR  22          2HG2      THR  22  12.786  10.230   7.437
  178   2HG2  THR  22          3HG2      THR  22  11.999  10.411   5.849
  179   3HG2  THR  22          1HG2      THR  22  11.866  11.689   7.069
  180    H    CYS  23           H        CSN  23   8.416   7.692   6.803
  181    HA   CYS  23           HA       CSN  23   7.234   7.632   9.339
  182   1HB   CYS  23          2HB       CSN  23   6.143   7.884   7.093
  183   2HB   CYS  23          3HB       CSN  23   6.518   6.220   6.773
  184    HA   PRO  24           HA       PRO  24   8.898   3.529  10.515
  185   1HB   PRO  24          1HB       PRO  24   7.930   3.400  13.061
  186   2HB   PRO  24          2HB       PRO  24   9.337   4.414  12.607
  187   1HG   PRO  24          1HG       PRO  24   6.458   5.284  12.957
  188   2HG   PRO  24          2HG       PRO  24   7.943   6.062  13.587
  189   1HD   PRO  24          1HD       PRO  24   6.684   6.871  11.279
  190   2HD   PRO  24          2HD       PRO  24   8.454   7.003  11.495
  191    H    TYR  25           H        TYR  25   5.587   4.722  10.292
  192    HA   TYR  25           HA       TYR  25   4.333   2.132  10.863
  193   1HB   TYR  25          1HB       TYR  25   3.212   4.560   9.365
  194   2HB   TYR  25          2HB       TYR  25   2.342   3.148   9.839
  195    HD1  TYR  25          1HD       TYR  25   4.405   5.881  11.449
  196    HD2  TYR  25          2HD       TYR  25   0.956   3.280  11.706
  197    HE1  TYR  25          1HE       TYR  25   3.659   7.060  13.488
  198    HE2  TYR  25          2HE       TYR  25   0.172   4.526  13.666
  199    HH   TYR  25           HH       TYR  25   0.384   6.606  14.677
  200    H    CYS  26           H        CYS  26   5.411   4.102   8.027
  201    HA   CYS  26           HA       CYS  26   4.603   2.257   6.007
  202   1HB   CYS  26          1HB       CYS  26   6.890   4.282   6.128
  203   2HB   CYS  26          2HB       CYS  26   6.503   3.316   4.709
  204    HG   CYS  26           HG       CYS  26   4.722   5.565   6.338
  205    H    ARG  27           H        ARG  27   7.735   2.571   7.795
  206    HA   ARG  27           HA       ARG  27   8.988   0.403   6.557
  207   1HB   ARG  27          1HB       ARG  27  10.029   2.098   8.172
  208   2HB   ARG  27          2HB       ARG  27   9.406   1.084   9.488
  209   1HG   ARG  27          1HG       ARG  27  10.615  -0.895   8.338
  210   2HG   ARG  27          2HG       ARG  27  11.376   0.295   7.283
  211   1HD   ARG  27          1HD       ARG  27  11.549   0.151  10.319
  212   2HD   ARG  27          2HD       ARG  27  12.787  -0.371   9.166
  213    HE   ARG  27           HE       ARG  27  12.317   2.297   8.528
  214   1HH1  ARG  27          2HH2      ARG  27  13.909   0.383  10.989
  215   2HH1  ARG  27          1HH2      ARG  27  14.541   1.718  11.900
  216   1HH2  ARG  27          2HH1      ARG  27  13.190   4.135   9.628
  217   2HH2  ARG  27          1HH1      ARG  27  14.379   3.899  10.878
  218    H    ARG  28           H        ARG  28   6.968   0.282   9.583
  219    HA   ARG  28           HA       ARG  28   7.213  -2.520   9.914
  220   1HB   ARG  28          1HB       ARG  28   6.046  -1.078  11.522
  221   2HB   ARG  28          2HB       ARG  28   4.719  -0.822  10.421
  222   1HG   ARG  28          1HG       ARG  28   3.782  -2.884  10.774
  223   2HG   ARG  28          2HG       ARG  28   5.305  -3.728  10.736
  224   1HD   ARG  28          1HD       ARG  28   4.528  -4.101  12.864
  225   2HD   ARG  28          2HD       ARG  28   5.783  -2.875  13.095
  226    HE   ARG  28           HE       ARG  28   3.795  -1.216  12.987
  227   1HH1  ARG  28          2HH2      ARG  28   3.561  -4.384  14.601
  228   2HH1  ARG  28          1HH2      ARG  28   1.900  -4.150  15.049
  229   1HH2  ARG  28          2HH1      ARG  28   1.864  -0.794  13.790
  230   2HH2  ARG  28          1HH1      ARG  28   0.956  -1.885  14.804
  231    H    ALA  29           H        ALA  29   4.749  -0.723   8.191
  232    HA   ALA  29           HA       ALA  29   3.319  -2.904   7.127
  233   1HB   ALA  29          3HB       ALA  29   3.799  -0.227   5.745
  234   2HB   ALA  29          1HB       ALA  29   2.616  -1.435   5.222
  235   3HB   ALA  29          2HB       ALA  29   2.438  -0.673   6.810
  236    H    GLN  30           H        GLN  30   6.330  -1.417   5.630
  237    HA   GLN  30           HA       GLN  30   6.501  -3.153   3.502
  238   1HB   GLN  30          1HB       GLN  30   8.426  -1.456   5.142
  239   2HB   GLN  30          2HB       GLN  30   9.119  -2.750   4.150
  240   1HG   GLN  30          1HG       GLN  30   9.055  -0.931   2.693
  241   2HG   GLN  30          2HG       GLN  30   7.682  -2.015   2.356
  242   1HE2  GLN  30          2HE2      GLN  30   5.222   0.459   3.158
  243   2HE2  GLN  30          1HE2      GLN  30   5.519  -1.232   2.742
  244    H    GLU  31           H        GLU  31   7.819  -3.680   6.807
  245    HA   GLU  31           HA       GLU  31   8.979  -6.161   6.153
  246   1HB   GLU  31          1HB       GLU  31   8.659  -4.350   8.392
  247   2HB   GLU  31          2HB       GLU  31   8.034  -5.891   8.942
  248   1HG   GLU  31          1HG       GLU  31  10.125  -6.983   8.490
  249   2HG   GLU  31          2HG       GLU  31  10.744  -5.564   7.624
  250    H    ILE  32           H        ILE  32   5.936  -5.375   7.762
  251    HA   ILE  32           HA       ILE  32   4.760  -7.873   8.103
  252    HB   ILE  32           HB       ILE  32   3.892  -5.038   7.696
  253   1HG1  ILE  32          1HG1      ILE  32   3.437  -7.158   9.848
  254   2HG1  ILE  32          2HG1      ILE  32   4.563  -5.807   9.907
  255   1HG2  ILE  32          3HG2      ILE  32   1.851  -7.226   7.545
  256   2HG2  ILE  32          1HG2      ILE  32   1.505  -5.504   7.870
  257   3HG2  ILE  32          2HG2      ILE  32   2.215  -5.960   6.345
  258   1HD1  ILE  32          3HD1      ILE  32   2.452  -4.289   9.760
  259   2HD1  ILE  32          1HD1      ILE  32   1.534  -5.759  10.141
  260   3HD1  ILE  32          2HD1      ILE  32   2.744  -5.164  11.287
  261    H    LEU  33           H        LEU  33   4.742  -5.779   5.166
  262    HA   LEU  33           HA       LEU  33   3.041  -7.729   3.867
  263   1HB   LEU  33          1HB       LEU  33   4.296  -5.131   2.977
  264   2HB   LEU  33          2HB       LEU  33   3.813  -6.270   1.746
  265    HG   LEU  33           HG       LEU  33   1.842  -5.246   3.864
  266   1HD1  LEU  33          3HD1      LEU  33   2.257  -4.320   1.025
  267   2HD1  LEU  33          1HD1      LEU  33   0.920  -3.909   2.087
  268   3HD1  LEU  33          2HD1      LEU  33   2.561  -3.412   2.540
  269   1HD2  LEU  33          2HD2      LEU  33   1.276  -7.477   2.717
  270   2HD2  LEU  33          3HD2      LEU  33   0.155  -6.161   2.350
  271   3HD2  LEU  33          1HD2      LEU  33   1.389  -6.644   1.169
  272    H    SER  34           H        SER  34   6.546  -6.788   3.734
  273    HA   SER  34           HA       SER  34   7.245  -8.547   1.608
  274   1HB   SER  34          1HB       SER  34   8.969  -7.710   3.969
  275   2HB   SER  34          2HB       SER  34   9.546  -8.371   2.432
  276    HG   SER  34           HG       SER  34   8.194  -5.938   2.923
  277    H    GLN  35           H        GLN  35   6.507  -9.371   4.939
  278    HA   GLN  35           HA       GLN  35   8.073 -11.775   5.101
  279   1HB   GLN  35          1HB       GLN  35   5.715 -10.563   6.589
  280   2HB   GLN  35          2HB       GLN  35   6.293 -12.179   7.016
  281   1HG   GLN  35          1HG       GLN  35   8.346 -11.439   7.800
  282   2HG   GLN  35          2HG       GLN  35   8.321  -9.959   6.855
  283   1HE2  GLN  35          2HE2      GLN  35   7.658  -8.366   9.961
  284   2HE2  GLN  35          1HE2      GLN  35   8.854  -8.738   8.742
  285    H    LEU  36           H        LEU  36   5.233 -11.144   3.251
  286    HA   LEU  36           HA       LEU  36   4.322 -13.948   3.453
  287   1HB   LEU  36          1HB       LEU  36   3.096 -11.421   2.327
  288   2HB   LEU  36          2HB       LEU  36   2.390 -13.023   2.172
  289    HG   LEU  36           HG       LEU  36   2.850 -11.449   4.742
  290   1HD1  LEU  36          3HD1      LEU  36   0.317 -12.416   3.359
  291   2HD1  LEU  36          1HD1      LEU  36   0.383 -11.572   4.916
  292   3HD1  LEU  36          2HD1      LEU  36   0.919 -10.739   3.448
  293   1HD2  LEU  36          1HD2      LEU  36   1.898 -14.319   4.415
  294   2HD2  LEU  36          2HD2      LEU  36   3.265 -13.727   5.384
  295   3HD2  LEU  36          3HD2      LEU  36   1.617 -13.353   5.880
  296    HA   PRO  37           HA       PRO  37   6.675 -14.526  -0.246
  297   1HB   PRO  37          1HB       PRO  37   6.014 -17.075  -0.926
  298   2HB   PRO  37          2HB       PRO  37   6.901 -16.683   0.576
  299   1HG   PRO  37          1HG       PRO  37   3.927 -17.198   0.254
  300   2HG   PRO  37          2HG       PRO  37   5.047 -17.879   1.473
  301   1HD   PRO  37          1HD       PRO  37   3.455 -15.685   1.967
  302   2HD   PRO  37          2HD       PRO  37   5.043 -15.901   2.732
  303    H    ILE  38           H        ILE  38   5.546 -12.809  -1.337
  304    HA   ILE  38           HA       ILE  38   3.106 -13.515  -2.880
  305    HB   ILE  38           HB       ILE  38   4.591 -11.017  -1.853
  306   1HG1  ILE  38          1HG1      ILE  38   1.593 -11.608  -1.676
  307   2HG1  ILE  38          2HG1      ILE  38   2.754 -12.372  -0.588
  308   1HG2  ILE  38          1HG2      ILE  38   2.404 -10.827  -3.985
  309   2HG2  ILE  38          2HG2      ILE  38   2.874  -9.486  -2.945
  310   3HG2  ILE  38          3HG2      ILE  38   4.044 -10.163  -4.035
  311   1HD1  ILE  38          2HD1      ILE  38   3.665 -10.080  -0.012
  312   2HD1  ILE  38          3HD1      ILE  38   2.210  -9.415  -0.806
  313   3HD1  ILE  38          1HD1      ILE  38   2.075 -10.466   0.600
  314    H    LYS  39           H        LYS  39   3.033 -13.160  -5.232
  315    HA   LYS  39           HA       LYS  39   5.038 -13.661  -6.736
  316   1HB   LYS  39          1HB       LYS  39   2.593 -12.107  -7.183
  317   2HB   LYS  39          2HB       LYS  39   3.813 -12.162  -8.486
  318   1HG   LYS  39          1HG       LYS  39   3.751 -14.503  -8.597
  319   2HG   LYS  39          2HG       LYS  39   2.925 -14.719  -7.107
  320   1HD   LYS  39          1HD       LYS  39   1.396 -15.124  -8.993
  321   2HD   LYS  39          2HD       LYS  39   0.867 -13.808  -7.952
  322   1HE   LYS  39          1HE       LYS  39   2.047 -12.216  -9.654
  323   2HE   LYS  39          2HE       LYS  39   2.113 -13.612 -10.729
  324   1HZ   LYS  39          3HZ       LYS  39  -0.323 -13.720 -10.546
  325   2HZ   LYS  39          1HZ       LYS  39  -0.337 -12.403  -9.579
  326   3HZ   LYS  39          2HZ       LYS  39   0.173 -12.255 -11.127
  327    H    GLN  40           H        GLN  40   7.027 -12.657  -7.285
  328    HA   GLN  40           HA       GLN  40   7.568 -10.151  -6.031
  329   1HB   GLN  40          1HB       GLN  40   9.225 -12.070  -6.524
  330   2HB   GLN  40          2HB       GLN  40   9.383 -11.365  -8.137
  331   1HG   GLN  40          1HG       GLN  40  11.153 -10.632  -6.518
  332   2HG   GLN  40          2HG       GLN  40  10.236  -9.278  -7.174
  333   1HE2  GLN  40          2HE2      GLN  40   9.471  -8.133  -3.889
  334   2HE2  GLN  40          1HE2      GLN  40   9.835  -7.703  -5.556
  335    H    GLY  41           H        GLY  41   8.328  -8.139  -7.148
  336   1HA   GLY  41          1HA       GLY  41   7.990  -6.457  -8.674
  337   2HA   GLY  41          2HA       GLY  41   7.306  -7.617  -9.812
  338    H    LEU  42           H        LEU  42   5.229  -8.518  -7.502
  339    HA   LEU  42           HA       LEU  42   3.267  -6.533  -8.181
  340   1HB   LEU  42          1HB       LEU  42   3.150  -8.532  -5.923
  341   2HB   LEU  42          2HB       LEU  42   1.881  -7.576  -6.634
  342    HG   LEU  42           HG       LEU  42   3.217 -10.000  -7.788
  343   1HD1  LEU  42          1HD1      LEU  42   1.299 -10.177  -6.225
  344   2HD1  LEU  42          2HD1      LEU  42   0.339  -9.146  -7.307
  345   3HD1  LEU  42          3HD1      LEU  42   0.868 -10.734  -7.864
  346   1HD2  LEU  42          1HD2      LEU  42   1.591  -8.006  -9.331
  347   2HD2  LEU  42          2HD2      LEU  42   3.189  -8.690  -9.722
  348   3HD2  LEU  42          3HD2      LEU  42   1.750  -9.718  -9.791
  349    H    LEU  43           H        LEU  43   5.490  -7.124  -5.394
  350    HA   LEU  43           HA       LEU  43   3.962  -5.262  -3.776
  351   1HB   LEU  43          1HB       LEU  43   5.509  -7.452  -3.111
  352   2HB   LEU  43          2HB       LEU  43   6.590  -6.146  -2.733
  353    HG   LEU  43           HG       LEU  43   5.595  -6.304  -0.729
  354   1HD1  LEU  43          3HD1      LEU  43   4.896  -4.016  -1.552
  355   2HD1  LEU  43          1HD1      LEU  43   3.287  -4.693  -1.852
  356   3HD1  LEU  43          2HD1      LEU  43   3.949  -4.705  -0.224
  357   1HD2  LEU  43          2HD2      LEU  43   3.065  -7.262  -2.097
  358   2HD2  LEU  43          3HD2      LEU  43   4.270  -8.212  -1.219
  359   3HD2  LEU  43          1HD2      LEU  43   3.246  -7.079  -0.332
  360    H    GLU  44           H        GLU  44   4.154  -3.097  -4.370
  361    HA   GLU  44           HA       GLU  44   6.963  -2.138  -4.683
  362   1HB   GLU  44          1HB       GLU  44   5.697  -2.185  -6.884
  363   2HB   GLU  44          2HB       GLU  44   4.671  -0.897  -6.209
  364   1HG   GLU  44          1HG       GLU  44   6.897   0.303  -5.587
  365   2HG   GLU  44          2HG       GLU  44   7.714  -0.914  -6.562
  366    H    PHE  45           H        PHE  45   7.480  -1.012  -3.013
  367    HA   PHE  45           HA       PHE  45   5.570   0.623  -1.506
  368   1HB   PHE  45          1HB       PHE  45   8.578   0.397  -1.140
  369   2HB   PHE  45          2HB       PHE  45   7.363   0.870   0.043
  370    HD1  PHE  45          2HD       PHE  45   5.387  -1.092   0.212
  371    HD2  PHE  45          1HD       PHE  45   9.537  -1.722  -0.740
  372    HE1  PHE  45          2HE       PHE  45   5.215  -3.431   1.026
  373    HE2  PHE  45          1HE       PHE  45   9.338  -4.085  -0.010
  374    HZ   PHE  45           HZ       PHE  45   7.179  -4.943   0.874
  375    H    VAL  46           H        VAL  46   5.033   2.521  -2.516
  376    HA   VAL  46           HA       VAL  46   6.904   3.855  -4.390
  377    HB   VAL  46           HB       VAL  46   3.895   4.063  -3.940
  378   1HG1  VAL  46          3HG1      VAL  46   5.676   5.472  -5.989
  379   2HG1  VAL  46          1HG1      VAL  46   3.902   5.480  -5.997
  380   3HG1  VAL  46          2HG1      VAL  46   4.780   6.237  -4.665
  381   1HG2  VAL  46          2HG2      VAL  46   4.623   1.971  -5.089
  382   2HG2  VAL  46          3HG2      VAL  46   3.700   3.041  -6.146
  383   3HG2  VAL  46          1HG2      VAL  46   5.470   2.954  -6.300
  384    H    ASP  47           H        ASP  47   8.200   5.235  -3.261
  385    HA   ASP  47           HA       ASP  47   7.351   6.773  -0.967
  386   1HB   ASP  47          1HB       ASP  47   9.732   6.289  -1.598
  387   2HB   ASP  47          2HB       ASP  47   9.557   7.446  -2.924
  388    H    ILE  48           H        ILE  48   6.289   8.603  -0.915
  389    HA   ILE  48           HA       ILE  48   5.561  10.023  -3.445
  390    HB   ILE  48           HB       ILE  48   3.593  10.770  -2.382
  391   1HG1  ILE  48          1HG1      ILE  48   4.683   9.625   0.224
  392   2HG1  ILE  48          2HG1      ILE  48   4.417  11.298  -0.176
  393   1HG2  ILE  48          3HG2      ILE  48   3.646   8.406  -3.254
  394   2HG2  ILE  48          1HG2      ILE  48   3.913   7.828  -1.598
  395   3HG2  ILE  48          2HG2      ILE  48   2.415   8.664  -2.017
  396   1HD1  ILE  48          3HD1      ILE  48   1.974  10.855  -0.366
  397   2HD1  ILE  48          1HD1      ILE  48   2.266   9.198   0.213
  398   3HD1  ILE  48          2HD1      ILE  48   2.644  10.572   1.262
  399    H    THR  49           H        THR  49   7.624  10.272  -0.666
  400    HA   THR  49           HA       THR  49   7.701  13.216  -0.772
  401    HB   THR  49           HB       THR  49   7.771  11.552   1.346
  402    HG1  THR  49           HG1      THR  49   8.200  13.324   2.412
  403   1HG2  THR  49          3HG2      THR  49  10.001  10.576   0.757
  404   2HG2  THR  49          1HG2      THR  49  10.723  12.173   0.909
  405   3HG2  THR  49          2HG2      THR  49   9.966  11.399   2.321
  406    H    ALA  50           H        ALA  50   8.953  10.642  -2.401
  407    HA   ALA  50           HA       ALA  50  11.469  11.578  -3.383
  408   1HB   ALA  50          1HB       ALA  50   9.317   9.700  -4.467
  409   2HB   ALA  50          2HB       ALA  50  10.881   9.977  -5.237
  410   3HB   ALA  50          3HB       ALA  50  10.827   9.251  -3.627
  411    H    THR  51           H        THR  51  10.567  13.717  -3.269
  412    HA   THR  51           HA       THR  51  10.171  15.754  -4.098
  413    HB   THR  51           HB       THR  51  11.012  16.183  -6.355
  414    HG1  THR  51           HG1      THR  51  11.411  14.681  -7.741
  415   1HG2  THR  51          1HG2      THR  51  12.593  15.817  -4.441
  416   2HG2  THR  51          2HG2      THR  51  12.710  14.100  -4.885
  417   3HG2  THR  51          3HG2      THR  51  13.287  15.337  -6.000
  418    H    ASN  52           H        ASN  52   7.941  13.462  -5.018
  419    HA   ASN  52           HA       ASN  52   6.646  15.069  -7.037
  420   1HB   ASN  52          1HB       ASN  52   6.909  12.236  -6.356
  421   2HB   ASN  52          2HB       ASN  52   5.225  12.627  -6.639
  422   1HD2  ASN  52          2HD2      ASN  52   7.881  12.842  -9.737
  423   2HD2  ASN  52          1HD2      ASN  52   8.378  12.331  -8.133
  424    H    HIS  53           H        HIS  53   6.341  15.617  -4.041
  425    HA   HIS  53           HA       HIS  53   4.938  16.946  -2.825
  426   1HB   HIS  53          1HB       HIS  53   2.911  16.605  -5.103
  427   2HB   HIS  53          2HB       HIS  53   2.651  17.504  -3.630
  428    HD1  HIS  53          1HD       HIS  53   2.204  19.151  -6.094
  429    HD2  HIS  53          2HD       HIS  53   5.993  18.638  -4.257
  430    HE1  HIS  53          1HE       HIS  53   3.609  21.115  -6.791
  431    H    THR  54           H        THR  54   4.976  15.033  -1.120
  432    HA   THR  54           HA       THR  54   3.109  13.189  -0.991
  433    HB   THR  54           HB       THR  54   3.633  12.925   1.033
  434    HG1  THR  54           HG1      THR  54   2.720  14.364   2.266
  435   1HG2  THR  54          1HG2      THR  54   5.716  13.196  -0.047
  436   2HG2  THR  54          2HG2      THR  54   5.876  14.835   0.637
  437   3HG2  THR  54          3HG2      THR  54   5.797  13.399   1.701
  438    H    ASN  55           H        ASN  55   2.604  16.482   0.311
  439    HA   ASN  55           HA       ASN  55   0.101  16.124   1.323
  440   1HB   ASN  55          1HB       ASN  55   1.497  18.251   1.389
  441   2HB   ASN  55          2HB       ASN  55   0.789  18.675  -0.180
  442   1HD2  ASN  55          2HD2      ASN  55  -1.181  19.978   2.840
  443   2HD2  ASN  55          1HD2      ASN  55   0.438  20.243   2.200
  444    H    GLU  56           H        GLU  56   0.746  17.052  -2.117
  445    HA   GLU  56           HA       GLU  56  -1.985  17.195  -2.886
  446   1HB   GLU  56          1HB       GLU  56   0.669  16.724  -4.309
  447   2HB   GLU  56          2HB       GLU  56  -0.828  16.396  -5.150
  448   1HG   GLU  56          1HG       GLU  56  -1.553  18.808  -4.315
  449   2HG   GLU  56          2HG       GLU  56   0.199  19.012  -4.184
  450    H    ILE  57           H        ILE  57   0.362  14.495  -3.100
  451    HA   ILE  57           HA       ILE  57  -1.425  12.618  -4.313
  452    HB   ILE  57           HB       ILE  57   1.238  12.561  -2.834
  453   1HG1  ILE  57          1HG1      ILE  57   0.494  11.462  -5.589
  454   2HG1  ILE  57          2HG1      ILE  57   0.839  13.172  -5.326
  455   1HG2  ILE  57          2HG2      ILE  57  -0.413  10.124  -3.549
  456   2HG2  ILE  57          3HG2      ILE  57   1.341  10.056  -3.387
  457   3HG2  ILE  57          1HG2      ILE  57   0.341  10.507  -2.003
  458   1HD1  ILE  57          1HD1      ILE  57   3.083  12.639  -4.451
  459   2HD1  ILE  57          2HD1      ILE  57   2.809  10.922  -4.788
  460   3HD1  ILE  57          3HD1      ILE  57   2.842  12.090  -6.117
  461    H    GLN  58           H        GLN  58  -0.804  13.570  -0.971
  462    HA   GLN  58           HA       GLN  58  -2.021  11.240   0.268
  463   1HB   GLN  58          1HB       GLN  58  -0.801  13.917   1.158
  464   2HB   GLN  58          2HB       GLN  58  -1.805  13.009   2.257
  465   1HG   GLN  58          1HG       GLN  58  -0.328  10.937   1.775
  466   2HG   GLN  58          2HG       GLN  58   0.767  12.087   1.017
  467   1HE2  GLN  58          2HE2      GLN  58   0.331  11.989   5.138
  468   2HE2  GLN  58          1HE2      GLN  58  -0.836  11.286   4.050
  469    H    ASP  59           H        ASP  59  -2.901  14.601  -0.481
  470    HA   ASP  59           HA       ASP  59  -5.482  14.771   0.677
  471   1HB   ASP  59          1HB       ASP  59  -3.826  16.521  -0.445
  472   2HB   ASP  59          2HB       ASP  59  -4.663  16.155  -1.912
  473    H    TYR  60           H        TYR  60  -4.329  14.058  -2.560
  474    HA   TYR  60           HA       TYR  60  -6.823  13.276  -3.712
  475   1HB   TYR  60          1HB       TYR  60  -4.942  13.700  -5.169
  476   2HB   TYR  60          2HB       TYR  60  -4.013  12.390  -4.439
  477    HD1  TYR  60          2HD       TYR  60  -7.481  12.808  -5.917
  478    HD2  TYR  60          1HD       TYR  60  -3.876  10.442  -5.751
  479    HE1  TYR  60          2HE       TYR  60  -8.513  11.156  -7.411
  480    HE2  TYR  60          1HE       TYR  60  -4.908   8.787  -7.289
  481    HH   TYR  60           HH       TYR  60  -8.341   8.948  -8.238
  482    H    LEU  61           H        LEU  61  -4.356  11.217  -2.034
  483    HA   LEU  61           HA       LEU  61  -5.801   8.782  -2.193
  484   1HB   LEU  61          1HB       LEU  61  -3.837   9.869  -0.162
  485   2HB   LEU  61          2HB       LEU  61  -4.614   8.331   0.104
  486    HG   LEU  61           HG       LEU  61  -3.060   8.904  -2.455
  487   1HD1  LEU  61          3HD1      LEU  61  -2.002   7.718   0.151
  488   2HD1  LEU  61          1HD1      LEU  61  -1.145   7.739  -1.413
  489   3HD1  LEU  61          2HD1      LEU  61  -1.512   9.256  -0.592
  490   1HD2  LEU  61          3HD2      LEU  61  -4.603   6.948  -2.423
  491   2HD2  LEU  61          1HD2      LEU  61  -2.905   6.468  -2.559
  492   3HD2  LEU  61          2HD2      LEU  61  -3.761   6.317  -1.004
  493    H    GLN  62           H        GLN  62  -6.120  11.471   0.135
  494    HA   GLN  62           HA       GLN  62  -8.070  10.265   1.789
  495   1HB   GLN  62          1HB       GLN  62  -6.681  12.461   2.026
  496   2HB   GLN  62          2HB       GLN  62  -7.999  13.227   1.181
  497   1HG   GLN  62          1HG       GLN  62  -8.252  11.678   3.786
  498   2HG   GLN  62          2HG       GLN  62  -8.123  13.420   3.656
  499   1HE2  GLN  62          2HE2      GLN  62 -11.502  13.633   2.134
  500   2HE2  GLN  62          1HE2      GLN  62  -9.894  14.255   1.747
  501    H    GLN  63           H        GLN  63  -8.438  12.102  -1.276
  502    HA   GLN  63           HA       GLN  63 -11.306  11.934  -1.326
  503   1HB   GLN  63          1HB       GLN  63  -9.750  13.420  -2.732
  504   2HB   GLN  63          2HB       GLN  63  -9.515  12.030  -3.785
  505   1HG   GLN  63          1HG       GLN  63 -11.959  11.878  -4.153
  506   2HG   GLN  63          2HG       GLN  63 -12.215  13.243  -3.060
  507   1HE2  GLN  63          2HE2      GLN  63 -11.759  15.614  -5.663
  508   2HE2  GLN  63          1HE2      GLN  63 -12.392  15.238  -4.079
  509    H    LEU  64           H        LEU  64  -8.823  10.081  -2.986
  510    HA   LEU  64           HA       LEU  64 -10.460   8.279  -4.364
  511   1HB   LEU  64          1HB       LEU  64  -8.314   8.713  -5.220
  512   2HB   LEU  64          2HB       LEU  64  -7.554   8.466  -3.660
  513    HG   LEU  64           HG       LEU  64  -7.944   5.990  -3.871
  514   1HD1  LEU  64          1HD1      LEU  64  -9.663   6.071  -5.653
  515   2HD1  LEU  64          2HD1      LEU  64  -8.467   6.701  -6.789
  516   3HD1  LEU  64          3HD1      LEU  64  -8.287   5.063  -6.103
  517   1HD2  LEU  64          1HD2      LEU  64  -5.781   7.144  -4.317
  518   2HD2  LEU  64          2HD2      LEU  64  -6.004   5.651  -5.252
  519   3HD2  LEU  64          3HD2      LEU  64  -6.225   7.231  -6.029
  520    H    THR  65           H        THR  65  -9.056   7.849  -1.066
  521    HA   THR  65           HA       THR  65 -10.558   5.270  -0.963
  522    HB   THR  65           HB       THR  65  -8.904   4.138   0.010
  523    HG1  THR  65           HG1      THR  65  -8.253   5.008   1.692
  524   1HG2  THR  65          1HG2      THR  65  -7.222   6.110  -1.562
  525   2HG2  THR  65          2HG2      THR  65  -6.709   4.527  -0.979
  526   3HG2  THR  65          3HG2      THR  65  -8.019   4.615  -2.163
  527    H    GLY  66           H        GLY  66  -9.919   8.315   0.735
  528   1HA   GLY  66          1HA       GLY  66 -11.686   9.070   2.207
  529   2HA   GLY  66          2HA       GLY  66 -11.854   7.450   2.840
  530    H    ALA  67           H        ALA  67  -8.468   7.999   2.533
  531    HA   ALA  67           HA       ALA  67  -8.273   9.669   4.917
  532   1HB   ALA  67          2HB       ALA  67  -7.212   6.823   4.941
  533   2HB   ALA  67          3HB       ALA  67  -6.876   8.068   6.166
  534   3HB   ALA  67          1HB       ALA  67  -8.529   7.461   5.952
  535    H    ARG  68           H        ARG  68  -6.314  10.641   5.085
  536    HA   ARG  68           HA       ARG  68  -4.618  10.597   2.652
  537   1HB   ARG  68          1HB       ARG  68  -3.696  12.656   3.406
  538   2HB   ARG  68          2HB       ARG  68  -5.401  12.761   3.831
  539   1HG   ARG  68          1HG       ARG  68  -4.766  11.943   6.144
  540   2HG   ARG  68          2HG       ARG  68  -3.064  12.124   5.701
  541   1HD   ARG  68          1HD       ARG  68  -3.178  14.456   5.563
  542   2HD   ARG  68          2HD       ARG  68  -4.939  14.467   5.431
  543    HE   ARG  68           HE       ARG  68  -3.300  14.063   7.838
  544   1HH1  ARG  68          2HH2      ARG  68  -6.605  14.288   6.535
  545   2HH1  ARG  68          1HH2      ARG  68  -7.381  13.545   7.875
  546   1HH2  ARG  68          2HH1      ARG  68  -4.328  13.586   9.848
  547   2HH2  ARG  68          1HH1      ARG  68  -6.051  13.416   9.937
  548    H    THR  69           H        THR  69  -4.602   9.083   5.775
  549    HA   THR  69           HA       THR  69  -1.898   9.617   6.482
  550    HB   THR  69           HB       THR  69  -2.502   7.792   8.206
  551    HG1  THR  69           HG1      THR  69  -4.244   6.740   7.854
  552   1HG2  THR  69          2HG2      THR  69  -2.750  10.230   8.671
  553   2HG2  THR  69          3HG2      THR  69  -4.393  10.191   7.989
  554   3HG2  THR  69          1HG2      THR  69  -4.017   9.277   9.458
  555    H    VAL  70           H        VAL  70  -0.122   8.384   6.224
  556    HA   VAL  70           HA       VAL  70  -0.323   6.144   4.304
  557    HB   VAL  70           HB       VAL  70   2.252   6.597   4.181
  558   1HG1  VAL  70          1HG1      VAL  70   0.674   6.913   2.325
  559   2HG1  VAL  70          2HG1      VAL  70   0.243   8.522   2.941
  560   3HG1  VAL  70          3HG1      VAL  70   1.892   8.187   2.358
  561   1HG2  VAL  70          1HG2      VAL  70   2.280   8.274   6.061
  562   2HG2  VAL  70          2HG2      VAL  70   2.976   8.836   4.537
  563   3HG2  VAL  70          3HG2      VAL  70   1.361   9.390   5.026
  564    HA   PRO  71           HA       PRO  71   1.755   4.488   3.780
  565   1HB   PRO  71          1HB       PRO  71   1.501   1.758   4.058
  566   2HB   PRO  71          2HB       PRO  71   2.978   2.652   4.521
  567   1HG   PRO  71          1HG       PRO  71   0.690   1.791   6.306
  568   2HG   PRO  71          2HG       PRO  71   2.450   1.577   6.578
  569   1HD   PRO  71          1HD       PRO  71   1.143   3.629   7.722
  570   2HD   PRO  71          2HD       PRO  71   2.769   3.871   7.043
  571    H    ARG  72           H        ARG  72   0.303   3.595   2.085
  572    HA   ARG  72           HA       ARG  72  -2.420   2.771   3.032
  573   1HB   ARG  72          1HB       ARG  72  -1.920   4.557   0.604
  574   2HB   ARG  72          2HB       ARG  72  -3.453   3.818   1.083
  575   1HG   ARG  72          1HG       ARG  72  -2.723   5.024   3.419
  576   2HG   ARG  72          2HG       ARG  72  -1.993   6.134   2.270
  577   1HD   ARG  72          1HD       ARG  72  -4.147   6.989   2.844
  578   2HD   ARG  72          2HD       ARG  72  -4.279   6.373   1.199
  579    HE   ARG  72           HE       ARG  72  -5.935   5.031   1.897
  580   1HH1  ARG  72          2HH2      ARG  72  -4.015   5.754   4.854
  581   2HH1  ARG  72          1HH2      ARG  72  -5.126   4.890   5.880
  582   1HH2  ARG  72          2HH1      ARG  72  -7.311   3.819   3.370
  583   2HH2  ARG  72          1HH1      ARG  72  -6.906   3.816   5.058
  584    H    VAL  73           H        VAL  73  -2.474   0.668   2.654
  585    HA   VAL  73           HA       VAL  73  -0.827  -0.519   0.508
  586    HB   VAL  73           HB       VAL  73  -2.556  -1.686   2.733
  587   1HG1  VAL  73          1HG1      VAL  73  -0.908  -3.104   0.580
  588   2HG1  VAL  73          2HG1      VAL  73  -1.628  -3.897   2.003
  589   3HG1  VAL  73          3HG1      VAL  73  -2.669  -3.185   0.778
  590   1HG2  VAL  73          3HG2      VAL  73   0.454  -1.706   2.303
  591   2HG2  VAL  73          1HG2      VAL  73  -0.433  -0.866   3.605
  592   3HG2  VAL  73          2HG2      VAL  73  -0.400  -2.632   3.521
  593    H    PHE  74           H        PHE  74  -1.664  -0.905  -1.431
  594    HA   PHE  74           HA       PHE  74  -4.584  -1.197  -1.822
  595   1HB   PHE  74          1HB       PHE  74  -2.442  -0.180  -3.712
  596   2HB   PHE  74          2HB       PHE  74  -4.019  -0.753  -4.225
  597    HD1  PHE  74          1HD       PHE  74  -2.437   1.787  -1.948
  598    HD2  PHE  74          2HD       PHE  74  -5.834   0.754  -4.409
  599    HE1  PHE  74          1HE       PHE  74  -3.317   4.093  -1.734
  600    HE2  PHE  74          2HE       PHE  74  -6.658   3.076  -4.242
  601    HZ   PHE  74           HZ       PHE  74  -5.379   4.759  -2.946
  602    H    ILE  75           H        ILE  75  -4.805  -3.383  -1.627
  603    HA   ILE  75           HA       ILE  75  -2.856  -5.203  -2.966
  604    HB   ILE  75           HB       ILE  75  -4.694  -5.494  -0.673
  605   1HG1  ILE  75          1HG1      ILE  75  -3.198  -7.584  -0.367
  606   2HG1  ILE  75          2HG1      ILE  75  -2.287  -6.969  -1.753
  607   1HG2  ILE  75          3HG2      ILE  75  -6.025  -6.844  -2.289
  608   2HG2  ILE  75          1HG2      ILE  75  -4.559  -7.792  -2.641
  609   3HG2  ILE  75          2HG2      ILE  75  -5.271  -7.787  -1.019
  610   1HD1  ILE  75          1HD1      ILE  75  -1.812  -4.955  -0.417
  611   2HD1  ILE  75          2HD1      ILE  75  -2.636  -5.736   0.973
  612   3HD1  ILE  75          3HD1      ILE  75  -1.170  -6.454   0.278
  613    H    GLY  76           H        GLY  76  -3.204  -5.087  -5.104
  614   1HA   GLY  76          1HA       GLY  76  -4.188  -4.985  -7.123
  615   2HA   GLY  76          2HA       GLY  76  -5.324  -6.177  -6.513
  616    H    LYS  77           H        LYS  77  -4.618  -2.746  -6.336
  617    HA   LYS  77           HA       LYS  77  -5.742  -0.926  -6.010
  618   1HB   LYS  77          1HB       LYS  77  -6.210  -1.845  -8.560
  619   2HB   LYS  77          2HB       LYS  77  -7.853  -1.537  -8.022
  620   1HG   LYS  77          1HG       LYS  77  -6.245   0.696  -7.159
  621   2HG   LYS  77          2HG       LYS  77  -5.733   0.297  -8.793
  622   1HD   LYS  77          1HD       LYS  77  -7.970   0.652  -9.653
  623   2HD   LYS  77          2HD       LYS  77  -8.634   0.807  -8.007
  624   1HE   LYS  77          1HE       LYS  77  -7.203   2.790  -7.594
  625   2HE   LYS  77          2HE       LYS  77  -6.489   2.618  -9.210
  626   1HZ   LYS  77          3HZ       LYS  77  -8.738   2.978 -10.110
  627   2HZ   LYS  77          1HZ       LYS  77  -9.274   3.349  -8.588
  628   3HZ   LYS  77          2HZ       LYS  77  -8.095   4.257  -9.329
  629    H    ASP  78           H        ASP  78  -7.005  -3.247  -4.325
  630    HA   ASP  78           HA       ASP  78  -9.233  -1.467  -3.466
  631   1HB   ASP  78          1HB       ASP  78  -9.758  -3.918  -3.559
  632   2HB   ASP  78          2HB       ASP  78  -8.468  -4.194  -2.379
  633    H    CYS  79           H        CYS  79  -8.550   0.110  -2.071
  634    HA   CYS  79           HA       CYS  79  -6.009  -0.058  -0.691
  635   1HB   CYS  79          1HB       CYS  79  -7.079   2.093  -1.435
  636   2HB   CYS  79          2HB       CYS  79  -8.303   1.865  -0.175
  637    HG   CYS  79           HG       CYS  79  -6.748   1.871   1.828
  638    H    ILE  80           H        ILE  80  -5.807  -1.617   0.993
  639    HA   ILE  80           HA       ILE  80  -8.253  -2.546   2.269
  640    HB   ILE  80           HB       ILE  80  -6.961  -4.277   3.095
  641   1HG1  ILE  80          1HG1      ILE  80  -4.486  -4.512   2.588
  642   2HG1  ILE  80          2HG1      ILE  80  -4.455  -2.774   2.285
  643   1HG2  ILE  80          1HG2      ILE  80  -7.493  -4.221   0.619
  644   2HG2  ILE  80          2HG2      ILE  80  -5.810  -3.762   0.340
  645   3HG2  ILE  80          3HG2      ILE  80  -6.194  -5.321   1.109
  646   1HD1  ILE  80          2HD1      ILE  80  -5.478  -3.926   4.904
  647   2HD1  ILE  80          3HD1      ILE  80  -3.749  -3.671   4.600
  648   3HD1  ILE  80          1HD1      ILE  80  -4.842  -2.292   4.592
  649    H    GLY  81           H        GLY  81  -5.956  -0.090   2.882
  650   1HA   GLY  81          1HA       GLY  81  -7.086   1.445   4.601
  651   2HA   GLY  81          2HA       GLY  81  -6.764   0.125   5.723
  652    H    GLY  82           H        GLY  82  -5.493   1.754   6.821
  653   1HA   GLY  82          1HA       GLY  82  -2.856   2.370   5.651
  654   2HA   GLY  82          2HA       GLY  82  -3.530   3.098   7.116
  655    H    CYS  83           H        CYS  83  -1.456   2.440   8.227
  656    HA   CYS  83           HA       CYS  83  -0.580  -0.300   8.120
  657   1HB   CYS  83          1HB       CYS  83   0.696   1.947   8.851
  658   2HB   CYS  83          2HB       CYS  83   0.144   1.443  10.461
  659    HG   CYS  83           HG       CYS  83   2.588   0.528   8.739
  660    H    SER  84           H        SER  84  -2.728   1.603  10.284
  661    HA   SER  84           HA       SER  84  -2.589  -0.348  12.327
  662   1HB   SER  84          1HB       SER  84  -3.306   2.113  12.504
  663   2HB   SER  84          2HB       SER  84  -4.890   1.595  11.908
  664    HG   SER  84           HG       SER  84  -5.161   0.360  13.725
  665    H    ASP  85           H        ASP  85  -4.361  -0.149   9.340
  666    HA   ASP  85           HA       ASP  85  -6.536  -1.978  10.132
  667   1HB   ASP  85          1HB       ASP  85  -5.733  -0.704   7.473
  668   2HB   ASP  85          2HB       ASP  85  -7.205  -1.646   7.760
  669    H    LEU  86           H        LEU  86  -3.833  -1.801   7.822
  670    HA   LEU  86           HA       LEU  86  -3.621  -4.385   6.841
  671   1HB   LEU  86          1HB       LEU  86  -2.236  -2.474   6.104
  672   2HB   LEU  86          2HB       LEU  86  -1.487  -2.394   7.695
  673    HG   LEU  86           HG       LEU  86  -0.509  -4.697   7.313
  674   1HD1  LEU  86          3HD1      LEU  86  -1.519  -4.249   4.472
  675   2HD1  LEU  86          1HD1      LEU  86  -0.347  -5.487   4.974
  676   3HD1  LEU  86          2HD1      LEU  86  -2.000  -5.538   5.585
  677   1HD2  LEU  86          1HD2      LEU  86   0.236  -2.336   5.579
  678   2HD2  LEU  86          2HD2      LEU  86   0.874  -2.809   7.154
  679   3HD2  LEU  86          3HD2      LEU  86   1.242  -3.799   5.734
  680    H    VAL  87           H        VAL  87  -2.480  -3.131  10.024
  681    HA   VAL  87           HA       VAL  87  -1.050  -5.351  10.859
  682    HB   VAL  87           HB       VAL  87  -2.447  -3.007  12.070
  683   1HG1  VAL  87          2HG1      VAL  87  -1.756  -5.413  13.761
  684   2HG1  VAL  87          3HG1      VAL  87  -1.850  -3.760  14.393
  685   3HG1  VAL  87          1HG1      VAL  87  -3.271  -4.506  13.670
  686   1HG2  VAL  87          3HG2      VAL  87  -0.062  -3.058  11.231
  687   2HG2  VAL  87          1HG2      VAL  87  -0.277  -2.519  12.901
  688   3HG2  VAL  87          2HG2      VAL  87   0.317  -4.166  12.564
  689    H    SER  88           H        SER  88  -4.679  -4.844  11.110
  690    HA   SER  88           HA       SER  88  -4.990  -7.288  12.666
  691   1HB   SER  88          1HB       SER  88  -6.831  -5.380  11.259
  692   2HB   SER  88          2HB       SER  88  -7.317  -7.070  11.160
  693    HG   SER  88           HG       SER  88  -7.206  -7.308  13.382
  694    H    LEU  89           H        LEU  89  -5.235  -6.387   9.169
  695    HA   LEU  89           HA       LEU  89  -6.029  -8.980   8.350
  696   1HB   LEU  89          1HB       LEU  89  -4.592  -6.790   6.792
  697   2HB   LEU  89          2HB       LEU  89  -5.092  -8.325   6.119
  698    HG   LEU  89           HG       LEU  89  -7.471  -7.805   6.940
  699   1HD1  LEU  89          1HD1      LEU  89  -6.329  -4.983   6.908
  700   2HD1  LEU  89          2HD1      LEU  89  -8.057  -5.393   6.867
  701   3HD1  LEU  89          3HD1      LEU  89  -7.103  -5.816   8.278
  702   1HD2  LEU  89          3HD2      LEU  89  -6.204  -6.287   4.618
  703   2HD2  LEU  89          1HD2      LEU  89  -6.798  -7.968   4.591
  704   3HD2  LEU  89          2HD2      LEU  89  -7.938  -6.644   4.815
  705    H    GLN  90           H        GLN  90  -2.749  -7.672   9.037
  706    HA   GLN  90           HA       GLN  90  -1.304 -10.062   8.254
  707   1HB   GLN  90          1HB       GLN  90  -0.304  -7.945   8.387
  708   2HB   GLN  90          2HB       GLN  90  -0.500  -7.938  10.140
  709   1HG   GLN  90          1HG       GLN  90   1.654  -8.712   9.266
  710   2HG   GLN  90          2HG       GLN  90   0.931  -9.820  10.424
  711   1HE2  GLN  90          2HE2      GLN  90   2.027 -11.115   6.716
  712   2HE2  GLN  90          1HE2      GLN  90   2.322  -9.454   7.095
  713    H    GLN  91           H        GLN  91  -2.381  -8.889  11.623
  714    HA   GLN  91           HA       GLN  91  -1.350 -11.083  12.904
  715   1HB   GLN  91          1HB       GLN  91  -2.712  -8.565  13.406
  716   2HB   GLN  91          2HB       GLN  91  -3.587  -9.773  14.280
  717   1HG   GLN  91          1HG       GLN  91  -0.596  -9.338  14.485
  718   2HG   GLN  91          2HG       GLN  91  -1.824  -8.588  15.464
  719   1HE2  GLN  91          2HE2      GLN  91  -0.735 -12.558  16.063
  720   2HE2  GLN  91          1HE2      GLN  91  -0.096 -11.599  14.744
  721    H    SER  92           H        SER  92  -4.755 -10.349  12.031
  722    HA   SER  92           HA       SER  92  -5.876 -12.908  12.812
  723   1HB   SER  92          1HB       SER  92  -6.988 -10.557  12.620
  724   2HB   SER  92          2HB       SER  92  -7.045 -10.864  10.884
  725    HG   SER  92           HG       SER  92  -8.375 -12.677  11.316
  726    H    GLY  93           H        GLY  93  -3.864 -11.839  10.210
  727   1HA   GLY  93          1HA       GLY  93  -3.112 -12.876   8.389
  728   2HA   GLY  93          2HA       GLY  93  -3.902 -14.340   8.977
  729    H    GLU  94           H        GLU  94  -6.047 -11.510   8.346
  730    HA   GLU  94           HA       GLU  94  -7.395 -12.991   6.280
  731   1HB   GLU  94          1HB       GLU  94  -8.558 -11.358   7.680
  732   2HB   GLU  94          2HB       GLU  94  -7.533 -10.057   7.048
  733   1HG   GLU  94          1HG       GLU  94  -8.418 -10.406   4.778
  734   2HG   GLU  94          2HG       GLU  94  -9.357 -11.801   5.331
  735    H    LEU  95           H        LEU  95  -4.737 -10.732   6.409
  736    HA   LEU  95           HA       LEU  95  -4.615  -9.575   3.912
  737   1HB   LEU  95          1HB       LEU  95  -3.126  -9.105   5.873
  738   2HB   LEU  95          2HB       LEU  95  -2.311 -10.635   5.616
  739    HG   LEU  95           HG       LEU  95  -1.387  -9.795   3.514
  740   1HD1  LEU  95          3HD1      LEU  95  -3.010  -7.268   4.072
  741   2HD1  LEU  95          1HD1      LEU  95  -1.718  -7.398   2.860
  742   3HD1  LEU  95          2HD1      LEU  95  -3.181  -8.359   2.677
  743   1HD2  LEU  95          2HD2      LEU  95  -0.232  -9.332   5.640
  744   2HD2  LEU  95          3HD2      LEU  95   0.036  -8.017   4.494
  745   3HD2  LEU  95          1HD2      LEU  95  -1.124  -7.816   5.824
  746    H    LEU  96           H        LEU  96  -3.612 -12.846   4.842
  747    HA   LEU  96           HA       LEU  96  -2.206 -13.485   2.482
  748   1HB   LEU  96          1HB       LEU  96  -2.389 -14.667   4.841
  749   2HB   LEU  96          2HB       LEU  96  -3.827 -15.438   4.218
  750    HG   LEU  96           HG       LEU  96  -1.965 -16.933   4.141
  751   1HD1  LEU  96          2HD1      LEU  96  -3.542 -17.146   2.257
  752   2HD1  LEU  96          3HD1      LEU  96  -2.493 -16.103   1.270
  753   3HD1  LEU  96          1HD1      LEU  96  -1.898 -17.668   1.845
  754   1HD2  LEU  96          3HD2      LEU  96  -0.159 -15.319   4.139
  755   2HD2  LEU  96          1HD2      LEU  96   0.083 -16.511   2.852
  756   3HD2  LEU  96          2HD2      LEU  96  -0.497 -14.876   2.457
  757    H    THR  97           H        THR  97  -5.642 -14.217   3.322
  758    HA   THR  97           HA       THR  97  -6.296 -15.202   0.695
  759    HB   THR  97           HB       THR  97  -7.990 -14.024   2.954
  760    HG1  THR  97           HG1      THR  97  -7.097 -15.840   3.689
  761   1HG2  THR  97          2HG2      THR  97  -9.214 -14.036   0.764
  762   2HG2  THR  97          3HG2      THR  97  -8.873 -15.778   0.624
  763   3HG2  THR  97          1HG2      THR  97  -9.874 -15.143   1.961
  764    H    ARG  98           H        ARG  98  -6.520 -11.941   2.265
  765    HA   ARG  98           HA       ARG  98  -7.826 -10.716   0.094
  766   1HB   ARG  98          1HB       ARG  98  -6.824  -9.863   2.583
  767   2HB   ARG  98          2HB       ARG  98  -5.910  -8.896   1.430
  768   1HG   ARG  98          1HG       ARG  98  -8.949  -9.186   1.519
  769   2HG   ARG  98          2HG       ARG  98  -8.055  -7.848   2.228
  770   1HD   ARG  98          1HD       ARG  98  -7.840  -6.755   0.269
  771   2HD   ARG  98          2HD       ARG  98  -7.342  -8.194  -0.599
  772    HE   ARG  98           HE       ARG  98 -10.146  -8.299  -0.002
  773   1HH1  ARG  98          2HH2      ARG  98  -7.918  -6.622  -2.212
  774   2HH1  ARG  98          1HH2      ARG  98  -9.033  -6.552  -3.526
  775   1HH2  ARG  98          2HH1      ARG  98 -11.632  -8.126  -1.635
  776   2HH2  ARG  98          1HH1      ARG  98 -11.325  -7.160  -3.061
  777    H    LEU  99           H        LEU  99  -4.284 -11.282   0.563
  778    HA   LEU  99           HA       LEU  99  -3.561 -10.009  -1.940
  779   1HB   LEU  99          1HB       LEU  99  -2.381 -12.061  -0.041
  780   2HB   LEU  99          2HB       LEU  99  -1.550 -11.662  -1.543
  781    HG   LEU  99           HG       LEU  99  -2.259  -9.464   0.401
  782   1HD1  LEU  99          2HD1      LEU  99   0.120 -11.354   0.514
  783   2HD1  LEU  99          3HD1      LEU  99  -0.010  -9.810   1.412
  784   3HD1  LEU  99          1HD1      LEU  99  -1.119 -11.151   1.739
  785   1HD2  LEU  99          3HD2      LEU  99  -1.429  -8.985  -1.937
  786   2HD2  LEU  99          1HD2      LEU  99  -0.304  -8.422  -0.673
  787   3HD2  LEU  99          2HD2      LEU  99   0.027  -9.905  -1.583
  788    H    LYS 100           H        LYS 100  -4.033 -13.529  -1.106
  789    HA   LYS 100           HA       LYS 100  -3.748 -14.351  -3.797
  790   1HB   LYS 100          1HB       LYS 100  -5.293 -15.499  -1.444
  791   2HB   LYS 100          2HB       LYS 100  -5.379 -16.233  -3.031
  792   1HG   LYS 100          1HG       LYS 100  -2.695 -15.910  -2.962
  793   2HG   LYS 100          2HG       LYS 100  -2.983 -15.771  -1.246
  794   1HD   LYS 100          1HD       LYS 100  -2.560 -18.004  -1.297
  795   2HD   LYS 100          2HD       LYS 100  -4.284 -18.131  -1.657
  796   1HE   LYS 100          1HE       LYS 100  -3.879 -18.517  -3.978
  797   2HE   LYS 100          2HE       LYS 100  -2.295 -17.741  -3.915
  798   1HZ   LYS 100          3HZ       LYS 100  -1.420 -19.595  -2.691
  799   2HZ   LYS 100          1HZ       LYS 100  -2.860 -20.422  -2.813
  800   3HZ   LYS 100          2HZ       LYS 100  -1.879 -20.014  -4.098
  801    H    GLN 101           H        GLN 101  -6.529 -12.899  -2.389
  802    HA   GLN 101           HA       GLN 101  -8.469 -13.131  -4.340
  803   1HB   GLN 101          1HB       GLN 101  -8.337 -11.533  -2.225
  804   2HB   GLN 101          2HB       GLN 101  -7.710 -10.378  -3.393
  805   1HG   GLN 101          1HG       GLN 101  -9.926  -9.835  -3.333
  806   2HG   GLN 101          2HG       GLN 101  -9.811 -10.815  -4.789
  807   1HE2  GLN 101          2HE2      GLN 101 -12.834 -12.172  -3.331
  808   2HE2  GLN 101          1HE2      GLN 101 -12.209 -10.869  -4.348
  809    H    ILE 102           H        ILE 102  -5.422 -11.224  -4.627
  810    HA   ILE 102           HA       ILE 102  -6.260 -10.241  -7.290
  811    HB   ILE 102           HB       ILE 102  -4.684  -8.564  -7.017
  812   1HG1  ILE 102          1HG1      ILE 102  -3.406  -9.155  -4.433
  813   2HG1  ILE 102          2HG1      ILE 102  -3.146 -10.433  -5.546
  814   1HG2  ILE 102          1HG2      ILE 102  -6.655  -8.357  -5.550
  815   2HG2  ILE 102          2HG2      ILE 102  -5.736  -9.109  -4.213
  816   3HG2  ILE 102          3HG2      ILE 102  -5.210  -7.570  -4.864
  817   1HD1  ILE 102          3HD1      ILE 102  -2.542  -7.536  -6.185
  818   2HD1  ILE 102          1HD1      ILE 102  -1.361  -8.753  -5.647
  819   3HD1  ILE 102          2HD1      ILE 102  -2.179  -8.968  -7.197
  820    H    GLY 103           H        GLY 103  -4.666 -12.944  -6.168
  821   1HA   GLY 103          1HA       GLY 103  -3.279 -14.491  -7.126
  822   2HA   GLY 103          2HA       GLY 103  -3.231 -13.558  -8.625
  823    H    ALA 104           H        ALA 104  -1.897 -13.900  -5.426
  824    HA   ALA 104           HA       ALA 104   0.670 -12.383  -6.023
  825   1HB   ALA 104          2HB       ALA 104  -1.325 -12.347  -3.630
  826   2HB   ALA 104          3HB       ALA 104   0.275 -11.616  -3.564
  827   3HB   ALA 104          1HB       ALA 104  -0.973 -10.960  -4.665
  828    H    LEU 105           H        LEU 105  -0.790 -14.426  -3.168
  829    HA   LEU 105           HA       LEU 105   1.824 -15.473  -2.821
  830   1HB   LEU 105          1HB       LEU 105  -0.864 -16.595  -2.020
  831   2HB   LEU 105          2HB       LEU 105   0.649 -17.129  -1.486
  832    HG   LEU 105           HG       LEU 105  -0.535 -15.943   0.233
  833   1HD1  LEU 105          3HD1      LEU 105   1.876 -16.049   0.301
  834   2HD1  LEU 105          1HD1      LEU 105   1.992 -14.528  -0.620
  835   3HD1  LEU 105          2HD1      LEU 105   1.276 -14.535   1.012
  836   1HD2  LEU 105          2HD2      LEU 105  -1.597 -14.142  -1.198
  837   2HD2  LEU 105          3HD2      LEU 105  -0.842 -13.609   0.307
  838   3HD2  LEU 105          1HD2      LEU 105  -0.007 -13.348  -1.239
  839    H    GLN 106           H        GLN 106   2.468 -17.395  -3.332
  840    HA   GLN 106           HA       GLN 106   1.713 -19.010  -5.581
  841   1HB   GLN 106          2HB       GLN 106   3.950 -18.905  -4.460
  842   2HB   GLN 106          3HB       GLN 106   3.214 -19.498  -2.973
  843   1HG   GLN 106          2HG       GLN 106   2.552 -21.624  -4.276
  844   2HG   GLN 106          3HG       GLN 106   3.536 -21.013  -5.612
  845   1HE2  GLN 106          2HE2      GLN 106   5.366 -22.359  -2.164
  846   2HE2  GLN 106          1HE2      GLN 106   3.665 -21.877  -2.117
   
  No H/Q in entry =         846
  Start of MODEL   18
    1   1H    ALA   2          2H        ALA   2  -3.910  16.462  -6.443
    2   2H    ALA   2          3H        ALA   2  -3.078  17.729  -7.091
    3   3H    ALA   2          1H        ALA   2  -4.317  17.049  -7.937
    4    HA   ALA   2           HA       ALA   2  -2.424  16.286  -8.953
    5   1HB   ALA   2          2HB       ALA   2  -1.467  15.531  -6.167
    6   2HB   ALA   2          3HB       ALA   2  -0.649  15.097  -7.673
    7   3HB   ALA   2          1HB       ALA   2  -0.792  16.805  -7.219
    8    H    GLN   3           H        GLN   3  -4.122  14.962  -9.863
    9    HA   GLN   3           HA       GLN   3  -4.454  12.324  -8.485
   10   1HB   GLN   3          1HB       GLN   3  -6.429  13.306 -10.524
   11   2HB   GLN   3          2HB       GLN   3  -6.543  12.003  -9.385
   12   1HG   GLN   3          1HG       GLN   3  -7.893  13.471  -8.341
   13   2HG   GLN   3          2HG       GLN   3  -6.386  13.995  -7.591
   14   1HE2  GLN   3          2HE2      GLN   3  -7.909  17.161  -8.643
   15   2HE2  GLN   3          1HE2      GLN   3  -8.163  15.953  -7.406
   16    H    GLU   4           H        GLU   4  -2.358  11.756  -9.459
   17    HA   GLU   4           HA       GLU   4  -2.860  10.387 -11.984
   18   1HB   GLU   4          1HB       GLU   4  -2.180  12.752 -12.680
   19   2HB   GLU   4          2HB       GLU   4  -0.593  12.416 -11.993
   20   1HG   GLU   4          1HG       GLU   4  -0.340  10.467 -13.506
   21   2HG   GLU   4          2HG       GLU   4  -1.974  10.709 -14.126
   22    H    PHE   5           H        PHE   5   0.033  11.510 -10.040
   23    HA   PHE   5           HA       PHE   5   1.658   9.404 -10.575
   24   1HB   PHE   5          1HB       PHE   5   2.362  11.328  -9.281
   25   2HB   PHE   5          2HB       PHE   5   1.359  10.863  -7.919
   26    HD1  PHE   5          2HD       PHE   5   4.301   9.774  -9.988
   27    HD2  PHE   5          1HD       PHE   5   2.256   9.451  -6.201
   28    HE1  PHE   5          2HE       PHE   5   6.236   8.532  -9.037
   29    HE2  PHE   5          1HE       PHE   5   4.215   8.242  -5.259
   30    HZ   PHE   5           HZ       PHE   5   6.183   7.764  -6.674
   31    H    VAL   6           H        VAL   6  -0.655   9.466  -7.861
   32    HA   VAL   6           HA       VAL   6  -0.099   6.793  -7.005
   33    HB   VAL   6           HB       VAL   6  -2.469   8.642  -6.602
   34   1HG1  VAL   6          2HG1      VAL   6  -2.079   5.893  -5.369
   35   2HG1  VAL   6          3HG1      VAL   6  -3.258   7.098  -4.811
   36   3HG1  VAL   6          1HG1      VAL   6  -3.409   6.398  -6.426
   37   1HG2  VAL   6          1HG2      VAL   6  -0.331   9.248  -5.463
   38   2HG2  VAL   6          2HG2      VAL   6  -1.611   8.819  -4.315
   39   3HG2  VAL   6          3HG2      VAL   6  -0.321   7.671  -4.665
   40    H    ASN   7           H        ASN   7  -2.511   8.081  -9.310
   41    HA   ASN   7           HA       ASN   7  -4.029   5.649  -9.362
   42   1HB   ASN   7          1HB       ASN   7  -4.719   8.089 -10.007
   43   2HB   ASN   7          2HB       ASN   7  -4.089   7.673 -11.604
   44   1HD2  ASN   7          2HD2      ASN   7  -7.801   6.893 -11.206
   45   2HD2  ASN   7          1HD2      ASN   7  -6.767   8.316 -11.150
   46    H    CYS   8           H        CYS   8  -1.624   7.133 -11.478
   47    HA   CYS   8           HA       CYS   8  -1.395   4.909 -13.320
   48   1HB   CYS   8          1HB       CYS   8  -1.133   7.522 -13.674
   49   2HB   CYS   8          2HB       CYS   8   0.517   7.250 -13.082
   50    HG   CYS   8           HG       CYS   8   0.969   5.255 -14.774
   51    H    LYS   9           H        LYS   9  -0.476   4.943 -10.202
   52    HA   LYS   9           HA       LYS   9   2.007   3.359 -10.757
   53   1HB   LYS   9          1HB       LYS   9   1.125   4.918  -8.324
   54   2HB   LYS   9          2HB       LYS   9   2.144   3.503  -8.129
   55   1HG   LYS   9          1HG       LYS   9   2.927   5.674 -10.096
   56   2HG   LYS   9          2HG       LYS   9   3.264   5.855  -8.378
   57   1HD   LYS   9          1HD       LYS   9   4.538   3.744  -8.362
   58   2HD   LYS   9          2HD       LYS   9   4.203   3.495 -10.078
   59   1HE   LYS   9          1HE       LYS   9   5.592   5.985  -9.009
   60   2HE   LYS   9          2HE       LYS   9   6.476   4.512  -9.411
   61   1HZ   LYS   9          2HZ       LYS   9   4.752   5.908 -11.370
   62   2HZ   LYS   9          3HZ       LYS   9   6.387   6.089 -11.286
   63   3HZ   LYS   9          1HZ       LYS   9   5.750   4.643 -11.641
   64    H    ILE  10           H        ILE  10  -1.326   3.324  -9.256
   65    HA   ILE  10           HA       ILE  10  -1.029   0.671  -8.310
   66    HB   ILE  10           HB       ILE  10  -3.464   2.187  -9.292
   67   1HG1  ILE  10          1HG1      ILE  10  -2.915   1.747  -6.347
   68   2HG1  ILE  10          2HG1      ILE  10  -1.917   2.926  -7.158
   69   1HG2  ILE  10          1HG2      ILE  10  -3.281  -0.327  -7.564
   70   2HG2  ILE  10          2HG2      ILE  10  -4.739   0.671  -7.800
   71   3HG2  ILE  10          3HG2      ILE  10  -4.033  -0.175  -9.170
   72   1HD1  ILE  10          3HD1      ILE  10  -4.936   2.973  -7.241
   73   2HD1  ILE  10          1HD1      ILE  10  -3.875   4.012  -6.243
   74   3HD1  ILE  10          2HD1      ILE  10  -3.833   4.118  -8.009
   75    H    GLN  11           H        GLN  11  -1.574  -1.309  -9.245
   76    HA   GLN  11           HA       GLN  11  -2.794  -1.294 -11.876
   77   1HB   GLN  11          1HB       GLN  11  -0.343  -1.649 -12.211
   78   2HB   GLN  11          2HB       GLN  11  -0.419  -3.077 -11.175
   79   1HG   GLN  11          1HG       GLN  11  -1.822  -4.231 -12.783
   80   2HG   GLN  11          2HG       GLN  11  -2.100  -2.757 -13.687
   81   1HE2  GLN  11          2HE2      GLN  11   1.480  -4.723 -14.212
   82   2HE2  GLN  11          1HE2      GLN  11   0.381  -5.258 -12.958
   83    HA   PRO  12           HA       PRO  12  -5.178  -4.258  -9.325
   84   1HB   PRO  12          1HB       PRO  12  -6.608  -5.504 -11.297
   85   2HB   PRO  12          2HB       PRO  12  -7.024  -3.870 -10.693
   86   1HG   PRO  12          1HG       PRO  12  -5.351  -4.599 -13.104
   87   2HG   PRO  12          2HG       PRO  12  -6.713  -3.430 -13.043
   88   1HD   PRO  12          1HD       PRO  12  -4.153  -2.636 -12.929
   89   2HD   PRO  12          2HD       PRO  12  -5.383  -1.837 -11.909
   90    H    GLY  13           H        GLY  13  -5.218  -6.679  -9.214
   91   1HA   GLY  13          1HA       GLY  13  -3.953  -8.605  -9.014
   92   2HA   GLY  13          2HA       GLY  13  -3.488  -8.362 -10.677
   93    H    LYS  14           H        LYS  14  -2.594  -5.771  -8.501
   94    HA   LYS  14           HA       LYS  14   0.050  -6.896  -7.895
   95   1HB   LYS  14          1HB       LYS  14  -0.278  -5.008  -9.934
   96   2HB   LYS  14          2HB       LYS  14  -0.024  -3.977  -8.523
   97   1HG   LYS  14          1HG       LYS  14   1.951  -5.692  -8.081
   98   2HG   LYS  14          2HG       LYS  14   1.810  -6.037  -9.791
   99   1HD   LYS  14          1HD       LYS  14   2.228  -3.253  -8.586
  100   2HD   LYS  14          2HD       LYS  14   3.537  -4.320  -9.044
  101   1HE   LYS  14          1HE       LYS  14   1.711  -4.100 -11.284
  102   2HE   LYS  14          2HE       LYS  14   2.094  -2.465 -10.675
  103   1HZ   LYS  14          2HZ       LYS  14   4.103  -4.494 -11.376
  104   2HZ   LYS  14          3HZ       LYS  14   3.690  -3.241 -12.345
  105   3HZ   LYS  14          1HZ       LYS  14   4.401  -2.954 -10.879
  106    H    VAL  15           H        VAL  15   0.970  -5.820  -5.875
  107    HA   VAL  15           HA       VAL  15  -1.175  -4.572  -4.247
  108    HB   VAL  15           HB       VAL  15   1.396  -5.944  -3.379
  109   1HG1  VAL  15          3HG1      VAL  15  -1.042  -4.829  -1.995
  110   2HG1  VAL  15          1HG1      VAL  15   0.027  -6.011  -1.188
  111   3HG1  VAL  15          2HG1      VAL  15   0.653  -4.438  -1.704
  112   1HG2  VAL  15          1HG2      VAL  15  -1.367  -7.152  -3.616
  113   2HG2  VAL  15          2HG2      VAL  15   0.148  -7.660  -4.412
  114   3HG2  VAL  15          3HG2      VAL  15  -0.009  -7.841  -2.685
  115    H    VAL  16           H        VAL  16  -0.945  -2.330  -4.407
  116    HA   VAL  16           HA       VAL  16   1.853  -1.324  -4.668
  117    HB   VAL  16           HB       VAL  16  -0.698  -0.105  -5.768
  118   1HG1  VAL  16          2HG1      VAL  16   1.065   1.541  -5.067
  119   2HG1  VAL  16          3HG1      VAL  16   2.236   0.647  -6.045
  120   3HG1  VAL  16          1HG1      VAL  16   0.870   1.481  -6.826
  121   1HG2  VAL  16          3HG2      VAL  16   1.586  -1.744  -6.948
  122   2HG2  VAL  16          1HG2      VAL  16  -0.151  -2.051  -7.087
  123   3HG2  VAL  16          2HG2      VAL  16   0.606  -0.699  -7.964
  124    H    VAL  17           H        VAL  17   2.617  -0.156  -3.031
  125    HA   VAL  17           HA       VAL  17   0.650   0.696  -0.982
  126    HB   VAL  17           HB       VAL  17   3.316  -0.705  -0.548
  127   1HG1  VAL  17          2HG1      VAL  17   1.163   0.213   1.417
  128   2HG1  VAL  17          3HG1      VAL  17   2.534  -0.856   1.827
  129   3HG1  VAL  17          1HG1      VAL  17   2.821   0.798   1.311
  130   1HG2  VAL  17          2HG2      VAL  17   0.441  -1.704  -0.473
  131   2HG2  VAL  17          3HG2      VAL  17   1.786  -2.302  -1.441
  132   3HG2  VAL  17          1HG2      VAL  17   1.788  -2.557   0.300
  133    H    PHE  18           H        PHE  18   0.666   2.733  -0.634
  134    HA   PHE  18           HA       PHE  18   2.842   4.355  -1.750
  135   1HB   PHE  18          1HB       PHE  18   0.087   5.048  -0.639
  136   2HB   PHE  18          2HB       PHE  18   1.220   6.248  -1.274
  137    HD1  PHE  18          1HD       PHE  18  -0.856   3.288  -2.234
  138    HD2  PHE  18          2HD       PHE  18   1.867   6.353  -3.573
  139    HE1  PHE  18          1HE       PHE  18  -1.360   2.712  -4.606
  140    HE2  PHE  18          2HE       PHE  18   1.354   5.790  -5.911
  141    HZ   PHE  18           HZ       PHE  18  -0.298   4.045  -6.444
  142    H    ILE  19           H        ILE  19   4.381   5.306  -0.490
  143    HA   ILE  19           HA       ILE  19   4.157   5.230   2.453
  144    HB   ILE  19           HB       ILE  19   6.379   4.035   2.520
  145   1HG1  ILE  19          1HG1      ILE  19   6.321   2.816  -0.130
  146   2HG1  ILE  19          2HG1      ILE  19   6.459   4.552  -0.289
  147   1HG2  ILE  19          1HG2      ILE  19   4.359   2.776   2.866
  148   2HG2  ILE  19          2HG2      ILE  19   4.249   2.437   1.119
  149   3HG2  ILE  19          3HG2      ILE  19   5.602   1.805   2.072
  150   1HD1  ILE  19          1HD1      ILE  19   8.404   4.577   1.253
  151   2HD1  ILE  19          2HD1      ILE  19   8.303   2.800   1.363
  152   3HD1  ILE  19          3HD1      ILE  19   8.677   3.587  -0.186
  153    H    LYS  20           H        LYS  20   6.561   5.861   3.266
  154    HA   LYS  20           HA       LYS  20   7.828   7.971   1.713
  155   1HB   LYS  20          1HB       LYS  20   7.750   9.103   4.246
  156   2HB   LYS  20          2HB       LYS  20   6.911   9.652   2.808
  157   1HG   LYS  20          1HG       LYS  20   4.879   8.343   3.506
  158   2HG   LYS  20          2HG       LYS  20   5.725   7.907   4.985
  159   1HD   LYS  20          1HD       LYS  20   4.355   9.750   5.548
  160   2HD   LYS  20          2HD       LYS  20   5.970  10.456   5.398
  161   1HE   LYS  20          1HE       LYS  20   5.457  11.210   3.101
  162   2HE   LYS  20          2HE       LYS  20   3.900  10.368   3.145
  163   1HZ   LYS  20          1HZ       LYS  20   3.229  11.883   4.928
  164   2HZ   LYS  20          2HZ       LYS  20   4.663  12.651   4.839
  165   3HZ   LYS  20          3HZ       LYS  20   3.645  12.722   3.543
  166    HA   PRO  21           HA       PRO  21  11.172   5.797   3.152
  167   1HB   PRO  21          1HB       PRO  21  13.268   7.543   3.281
  168   2HB   PRO  21          2HB       PRO  21  12.391   7.220   1.755
  169   1HG   PRO  21          1HG       PRO  21  12.002   9.544   3.669
  170   2HG   PRO  21          2HG       PRO  21  12.164   9.588   1.886
  171   1HD   PRO  21          1HD       PRO  21   9.715   9.585   3.163
  172   2HD   PRO  21          2HD       PRO  21   9.984   8.851   1.572
  173    H    THR  22           H        THR  22  10.198   8.385   5.287
  174    HA   THR  22           HA       THR  22  11.874   7.499   7.550
  175    HB   THR  22           HB       THR  22  11.682  10.054   8.016
  176    HG1  THR  22           HG1      THR  22  11.569  11.182   5.937
  177   1HG2  THR  22          3HG2      THR  22  13.740   8.845   7.312
  178   2HG2  THR  22          1HG2      THR  22  13.306   9.114   5.614
  179   3HG2  THR  22          2HG2      THR  22  13.656  10.489   6.684
  180    H    CYS  23           H        CSN  23   9.141   6.578   6.895
  181    HA   CYS  23           HA       CSN  23   7.656   7.616   9.243
  182   1HB   CYS  23          2HB       CSN  23   6.755   7.864   6.853
  183   2HB   CYS  23          3HB       CSN  23   6.608   6.128   6.838
  184    HA   PRO  24           HA       PRO  24   8.996   3.487  10.598
  185   1HB   PRO  24          1HB       PRO  24   8.027   3.543  13.157
  186   2HB   PRO  24          2HB       PRO  24   9.516   4.404  12.657
  187   1HG   PRO  24          1HG       PRO  24   6.715   5.528  12.934
  188   2HG   PRO  24          2HG       PRO  24   8.252   6.212  13.556
  189   1HD   PRO  24          1HD       PRO  24   7.091   7.038  11.221
  190   2HD   PRO  24          2HD       PRO  24   8.870   6.979  11.401
  191    H    TYR  25           H        TYR  25   5.755   4.865  10.382
  192    HA   TYR  25           HA       TYR  25   4.326   2.384  10.902
  193   1HB   TYR  25          1HB       TYR  25   3.544   4.863   9.287
  194   2HB   TYR  25          2HB       TYR  25   2.467   3.569   9.776
  195    HD1  TYR  25          1HD       TYR  25   2.272   3.088  12.402
  196    HD2  TYR  25          2HD       TYR  25   3.738   6.757  10.637
  197    HE1  TYR  25          1HE       TYR  25   1.677   4.327  14.454
  198    HE2  TYR  25          2HE       TYR  25   3.188   7.981  12.682
  199    HH   TYR  25           HH       TYR  25   2.171   7.889  14.707
  200    H    CYS  26           H        CYS  26   5.732   4.104   8.053
  201    HA   CYS  26           HA       CYS  26   4.720   2.220   6.100
  202   1HB   CYS  26          1HB       CYS  26   7.079   4.181   6.010
  203   2HB   CYS  26          2HB       CYS  26   6.571   3.152   4.690
  204    HG   CYS  26           HG       CYS  26   4.876   5.541   6.241
  205    H    ARG  27           H        ARG  27   7.885   2.586   7.793
  206    HA   ARG  27           HA       ARG  27   9.118   0.217   6.947
  207   1HB   ARG  27          1HB       ARG  27  10.124   1.998   8.437
  208   2HB   ARG  27          2HB       ARG  27   9.273   1.242   9.799
  209   1HG   ARG  27          1HG       ARG  27  10.402  -0.958   9.106
  210   2HG   ARG  27          2HG       ARG  27  11.394  -0.015   7.999
  211   1HD   ARG  27          1HD       ARG  27  11.207   0.462  11.002
  212   2HD   ARG  27          2HD       ARG  27  12.457  -0.521  10.229
  213    HE   ARG  27           HE       ARG  27  13.047   1.540   8.899
  214   1HH1  ARG  27          2HH2      ARG  27  11.812   1.888  12.244
  215   2HH1  ARG  27          1HH2      ARG  27  12.578   3.418  12.461
  216   1HH2  ARG  27          2HH1      ARG  27  14.055   3.425   9.235
  217   2HH2  ARG  27          1HH1      ARG  27  13.930   4.316  10.740
  218    H    ARG  28           H        ARG  28   6.803   0.477   9.728
  219    HA   ARG  28           HA       ARG  28   6.739  -2.263  10.396
  220   1HB   ARG  28          1HB       ARG  28   5.456  -0.568  11.660
  221   2HB   ARG  28          2HB       ARG  28   4.410  -0.289  10.313
  222   1HG   ARG  28          1HG       ARG  28   3.004  -1.877  11.011
  223   2HG   ARG  28          2HG       ARG  28   4.184  -3.089  10.642
  224   1HD   ARG  28          1HD       ARG  28   4.217  -1.655  13.321
  225   2HD   ARG  28          2HD       ARG  28   3.223  -3.066  12.935
  226    HE   ARG  28           HE       ARG  28   6.204  -3.133  12.665
  227   1HH1  ARG  28          2HH2      ARG  28   3.354  -4.255  14.430
  228   2HH1  ARG  28          1HH2      ARG  28   4.035  -5.788  14.857
  229   1HH2  ARG  28          2HH1      ARG  28   7.092  -5.245  13.069
  230   2HH2  ARG  28          1HH1      ARG  28   6.270  -6.290  14.174
  231    H    ALA  29           H        ALA  29   4.535  -0.567   8.195
  232    HA   ALA  29           HA       ALA  29   3.201  -2.881   7.287
  233   1HB   ALA  29          2HB       ALA  29   3.720  -0.323   5.720
  234   2HB   ALA  29          3HB       ALA  29   2.572  -1.587   5.247
  235   3HB   ALA  29          1HB       ALA  29   2.306  -0.703   6.761
  236    H    GLN  30           H        GLN  30   6.262  -1.492   6.026
  237    HA   GLN  30           HA       GLN  30   6.519  -3.350   3.887
  238   1HB   GLN  30          1HB       GLN  30   8.303  -1.407   5.350
  239   2HB   GLN  30          2HB       GLN  30   9.064  -2.642   4.348
  240   1HG   GLN  30          1HG       GLN  30   8.312  -1.729   2.398
  241   2HG   GLN  30          2HG       GLN  30   6.716  -1.481   3.052
  242   1HE2  GLN  30          2HE2      GLN  30   9.427   1.631   3.112
  243   2HE2  GLN  30          1HE2      GLN  30   9.924   0.006   2.596
  244    H    GLU  31           H        GLU  31   7.769  -3.640   7.285
  245    HA   GLU  31           HA       GLU  31   8.908  -6.197   6.445
  246   1HB   GLU  31          1HB       GLU  31   9.546  -6.482   8.825
  247   2HB   GLU  31          2HB       GLU  31   9.917  -4.840   8.283
  248   1HG   GLU  31          1HG       GLU  31   7.937  -3.960   9.386
  249   2HG   GLU  31          2HG       GLU  31   7.424  -5.578   9.871
  250    H    ILE  32           H        ILE  32   5.975  -5.179   7.914
  251    HA   ILE  32           HA       ILE  32   4.795  -7.701   8.600
  252    HB   ILE  32           HB       ILE  32   3.829  -4.953   7.845
  253   1HG1  ILE  32          1HG1      ILE  32   3.649  -6.797  10.267
  254   2HG1  ILE  32          2HG1      ILE  32   4.523  -5.292  10.138
  255   1HG2  ILE  32          2HG2      ILE  32   1.913  -7.256   8.131
  256   2HG2  ILE  32          3HG2      ILE  32   1.500  -5.516   8.093
  257   3HG2  ILE  32          1HG2      ILE  32   2.197  -6.245   6.677
  258   1HD1  ILE  32          1HD1      ILE  32   2.229  -4.133   9.964
  259   2HD1  ILE  32          2HD1      ILE  32   1.515  -5.705  10.392
  260   3HD1  ILE  32          3HD1      ILE  32   2.610  -4.906  11.522
  261    H    LEU  33           H        LEU  33   4.736  -5.762   5.583
  262    HA   LEU  33           HA       LEU  33   3.162  -7.762   4.256
  263   1HB   LEU  33          1HB       LEU  33   4.589  -5.241   3.298
  264   2HB   LEU  33          2HB       LEU  33   3.838  -6.329   2.163
  265    HG   LEU  33           HG       LEU  33   2.213  -4.920   4.358
  266   1HD1  LEU  33          1HD1      LEU  33   2.774  -4.250   1.485
  267   2HD1  LEU  33          2HD1      LEU  33   1.484  -3.541   2.463
  268   3HD1  LEU  33          3HD1      LEU  33   3.177  -3.287   2.917
  269   1HD2  LEU  33          1HD2      LEU  33   1.450  -6.517   1.868
  270   2HD2  LEU  33          2HD2      LEU  33   1.164  -6.983   3.551
  271   3HD2  LEU  33          3HD2      LEU  33   0.332  -5.579   2.875
  272    H    SER  34           H        SER  34   6.574  -6.509   3.868
  273    HA   SER  34           HA       SER  34   6.968  -7.922   1.473
  274   1HB   SER  34          1HB       SER  34   8.158  -5.864   2.233
  275   2HB   SER  34          2HB       SER  34   9.092  -6.850   3.371
  276    HG   SER  34           HG       SER  34   9.002  -7.193   0.541
  277    H    GLN  35           H        GLN  35   7.308  -9.167   4.746
  278    HA   GLN  35           HA       GLN  35   9.256 -11.162   4.033
  279   1HB   GLN  35          1HB       GLN  35   7.336 -10.861   6.354
  280   2HB   GLN  35          2HB       GLN  35   8.393 -12.263   6.222
  281   1HG   GLN  35          1HG       GLN  35   9.500  -9.430   6.171
  282   2HG   GLN  35          2HG       GLN  35   9.186 -10.307   7.666
  283   1HE2  GLN  35          2HE2      GLN  35  12.537 -11.436   7.507
  284   2HE2  GLN  35          1HE2      GLN  35  11.316 -10.640   8.419
  285    H    LEU  36           H        LEU  36   5.789 -10.984   3.449
  286    HA   LEU  36           HA       LEU  36   5.327 -13.824   3.629
  287   1HB   LEU  36          1HB       LEU  36   3.752 -11.554   2.343
  288   2HB   LEU  36          2HB       LEU  36   3.156 -13.198   2.509
  289    HG   LEU  36           HG       LEU  36   3.892 -11.338   4.819
  290   1HD1  LEU  36          3HD1      LEU  36   1.191 -12.294   3.784
  291   2HD1  LEU  36          1HD1      LEU  36   1.466 -11.333   5.256
  292   3HD1  LEU  36          2HD1      LEU  36   1.863 -10.644   3.676
  293   1HD2  LEU  36          1HD2      LEU  36   2.734 -14.163   4.839
  294   2HD2  LEU  36          2HD2      LEU  36   4.283 -13.629   5.541
  295   3HD2  LEU  36          3HD2      LEU  36   2.769 -13.072   6.245
  296    HA   PRO  37           HA       PRO  37   6.687 -14.925  -0.504
  297   1HB   PRO  37          1HB       PRO  37   5.243 -17.187  -0.994
  298   2HB   PRO  37          2HB       PRO  37   6.576 -17.131   0.198
  299   1HG   PRO  37          1HG       PRO  37   3.598 -16.939   0.722
  300   2HG   PRO  37          2HG       PRO  37   4.823 -17.906   1.597
  301   1HD   PRO  37          1HD       PRO  37   3.933 -15.454   2.474
  302   2HD   PRO  37          2HD       PRO  37   5.597 -16.032   2.776
  303    H    ILE  38           H        ILE  38   6.015 -13.440  -2.097
  304    HA   ILE  38           HA       ILE  38   3.144 -13.487  -2.893
  305    HB   ILE  38           HB       ILE  38   5.012 -11.196  -2.039
  306   1HG1  ILE  38          1HG1      ILE  38   2.001 -11.232  -1.580
  307   2HG1  ILE  38          2HG1      ILE  38   3.017 -12.312  -0.625
  308   1HG2  ILE  38          3HG2      ILE  38   2.616 -10.783  -3.904
  309   2HG2  ILE  38          1HG2      ILE  38   3.431  -9.487  -3.031
  310   3HG2  ILE  38          2HG2      ILE  38   4.317 -10.384  -4.231
  311   1HD1  ILE  38          2HD1      ILE  38   3.517  -9.326  -0.819
  312   2HD1  ILE  38          3HD1      ILE  38   2.647 -10.121   0.505
  313   3HD1  ILE  38          1HD1      ILE  38   4.350 -10.488   0.223
  314    H    LYS  39           H        LYS  39   2.859 -13.234  -5.076
  315    HA   LYS  39           HA       LYS  39   4.619 -14.332  -6.701
  316   1HB   LYS  39          1HB       LYS  39   2.122 -12.874  -7.060
  317   2HB   LYS  39          2HB       LYS  39   3.106 -12.858  -8.504
  318   1HG   LYS  39          1HG       LYS  39   2.636 -15.457  -6.991
  319   2HG   LYS  39          2HG       LYS  39   1.398 -14.819  -8.045
  320   1HD   LYS  39          1HD       LYS  39   4.226 -15.519  -8.907
  321   2HD   LYS  39          2HD       LYS  39   2.772 -16.512  -9.124
  322   1HE   LYS  39          1HE       LYS  39   1.733 -14.662 -10.464
  323   2HE   LYS  39          2HE       LYS  39   3.262 -13.784 -10.379
  324   1HZ   LYS  39          2HZ       LYS  39   4.296 -15.744 -11.453
  325   2HZ   LYS  39          3HZ       LYS  39   2.791 -16.376 -11.693
  326   3HZ   LYS  39          1HZ       LYS  39   3.213 -14.928 -12.377
  327    H    GLN  40           H        GLN  40   5.845 -13.576  -8.539
  328    HA   GLN  40           HA       GLN  40   7.958 -12.102  -8.013
  329   1HB   GLN  40          1HB       GLN  40   7.479 -13.570 -10.006
  330   2HB   GLN  40          2HB       GLN  40   6.722 -12.190 -10.795
  331   1HG   GLN  40          1HG       GLN  40   9.627 -12.356  -9.862
  332   2HG   GLN  40          2HG       GLN  40   9.071 -12.606 -11.518
  333   1HE2  GLN  40          2HE2      GLN  40   8.651  -9.095 -12.152
  334   2HE2  GLN  40          1HE2      GLN  40   8.320 -10.685 -12.798
  335    H    GLY  41           H        GLY  41   7.715 -10.163  -6.864
  336   1HA   GLY  41          1HA       GLY  41   8.054  -7.895  -6.889
  337   2HA   GLY  41          2HA       GLY  41   7.839  -7.906  -8.635
  338    H    LEU  42           H        LEU  42   5.109  -9.282  -6.719
  339    HA   LEU  42           HA       LEU  42   3.448  -7.244  -7.847
  340   1HB   LEU  42          1HB       LEU  42   2.818  -9.219  -5.641
  341   2HB   LEU  42          2HB       LEU  42   1.707  -8.178  -6.465
  342    HG   LEU  42           HG       LEU  42   2.984 -10.683  -7.456
  343   1HD1  LEU  42          2HD1      LEU  42   0.746 -10.522  -6.291
  344   2HD1  LEU  42          3HD1      LEU  42   0.177  -9.569  -7.661
  345   3HD1  LEU  42          1HD1      LEU  42   0.671 -11.247  -7.922
  346   1HD2  LEU  42          1HD2      LEU  42   1.781  -8.549  -9.224
  347   2HD2  LEU  42          2HD2      LEU  42   3.431  -9.221  -9.318
  348   3HD2  LEU  42          3HD2      LEU  42   2.044 -10.248  -9.707
  349    H    LEU  43           H        LEU  43   5.273  -7.471  -4.802
  350    HA   LEU  43           HA       LEU  43   3.456  -5.488  -3.563
  351   1HB   LEU  43          1HB       LEU  43   4.717  -7.466  -2.275
  352   2HB   LEU  43          2HB       LEU  43   5.986  -6.262  -2.215
  353    HG   LEU  43           HG       LEU  43   4.896  -5.811  -0.248
  354   1HD1  LEU  43          3HD1      LEU  43   4.851  -3.718  -1.638
  355   2HD1  LEU  43          1HD1      LEU  43   3.145  -4.052  -2.011
  356   3HD1  LEU  43          2HD1      LEU  43   3.678  -3.759  -0.353
  357   1HD2  LEU  43          2HD2      LEU  43   2.403  -6.789  -1.600
  358   2HD2  LEU  43          3HD2      LEU  43   3.149  -7.275  -0.074
  359   3HD2  LEU  43          1HD2      LEU  43   2.260  -5.754  -0.162
  360    H    GLU  44           H        GLU  44   3.675  -3.533  -4.536
  361    HA   GLU  44           HA       GLU  44   6.384  -2.607  -5.335
  362   1HB   GLU  44          1HB       GLU  44   4.422  -3.257  -6.951
  363   2HB   GLU  44          2HB       GLU  44   3.801  -1.653  -6.539
  364   1HG   GLU  44          1HG       GLU  44   5.827  -0.615  -7.340
  365   2HG   GLU  44          2HG       GLU  44   6.671  -2.151  -7.433
  366    H    PHE  45           H        PHE  45   7.118  -1.354  -3.682
  367    HA   PHE  45           HA       PHE  45   5.287   0.330  -2.142
  368   1HB   PHE  45          1HB       PHE  45   8.309   0.030  -1.950
  369   2HB   PHE  45          2HB       PHE  45   7.273   0.862  -0.814
  370    HD1  PHE  45          1HD       PHE  45   5.439  -0.476   0.403
  371    HD2  PHE  45          2HD       PHE  45   8.706  -2.339  -1.706
  372    HE1  PHE  45          1HE       PHE  45   5.031  -2.598   1.626
  373    HE2  PHE  45          2HE       PHE  45   8.318  -4.439  -0.456
  374    HZ   PHE  45           HZ       PHE  45   6.489  -4.576   1.214
  375    H    VAL  46           H        VAL  46   4.988   2.487  -2.504
  376    HA   VAL  46           HA       VAL  46   6.475   3.788  -4.723
  377    HB   VAL  46           HB       VAL  46   3.498   3.741  -4.098
  378   1HG1  VAL  46          3HG1      VAL  46   5.110   5.166  -6.257
  379   2HG1  VAL  46          1HG1      VAL  46   3.351   4.964  -6.279
  380   3HG1  VAL  46          2HG1      VAL  46   4.111   5.909  -4.992
  381   1HG2  VAL  46          3HG2      VAL  46   5.171   2.485  -6.315
  382   2HG2  VAL  46          1HG2      VAL  46   4.180   1.654  -5.102
  383   3HG2  VAL  46          2HG2      VAL  46   3.396   2.624  -6.346
  384    H    ASP  47           H        ASP  47   7.745   5.202  -3.680
  385    HA   ASP  47           HA       ASP  47   6.930   6.449  -1.202
  386   1HB   ASP  47          1HB       ASP  47   9.251   5.695  -1.834
  387   2HB   ASP  47          2HB       ASP  47   9.353   7.122  -2.873
  388    H    ILE  48           H        ILE  48   5.739   8.235  -1.005
  389    HA   ILE  48           HA       ILE  48   5.144   9.862  -3.386
  390    HB   ILE  48           HB       ILE  48   3.456  10.937  -2.004
  391   1HG1  ILE  48          1HG1      ILE  48   3.989   9.011   0.271
  392   2HG1  ILE  48          2HG1      ILE  48   4.696  10.625   0.244
  393   1HG2  ILE  48          1HG2      ILE  48   2.988   8.822  -3.268
  394   2HG2  ILE  48          2HG2      ILE  48   3.394   7.865  -1.832
  395   3HG2  ILE  48          3HG2      ILE  48   1.978   8.924  -1.818
  396   1HD1  ILE  48          2HD1      ILE  48   2.377  11.574   0.013
  397   2HD1  ILE  48          3HD1      ILE  48   1.730   9.932   0.200
  398   3HD1  ILE  48          1HD1      ILE  48   2.641  10.679   1.518
  399    H    THR  49           H        THR  49   7.554  10.109  -0.994
  400    HA   THR  49           HA       THR  49   7.702  13.053  -1.399
  401    HB   THR  49           HB       THR  49   6.978  12.355   0.876
  402    HG1  THR  49           HG1      THR  49   8.985  14.065   0.273
  403   1HG2  THR  49          2HG2      THR  49   8.303  10.327   1.149
  404   2HG2  THR  49          3HG2      THR  49   9.792  11.298   1.209
  405   3HG2  THR  49          1HG2      THR  49   8.548  11.482   2.468
  406    H    ALA  50           H        ALA  50   8.818  10.379  -2.614
  407    HA   ALA  50           HA       ALA  50  11.624  11.024  -2.965
  408   1HB   ALA  50          1HB       ALA  50   9.645   9.325  -4.552
  409   2HB   ALA  50          2HB       ALA  50  11.378   9.448  -4.897
  410   3HB   ALA  50          3HB       ALA  50  10.845   8.743  -3.367
  411    H    THR  51           H        THR  51  10.871  13.287  -2.996
  412    HA   THR  51           HA       THR  51  10.977  15.295  -4.032
  413    HB   THR  51           HB       THR  51  12.466  13.598  -5.592
  414    HG1  THR  51           HG1      THR  51  12.632  16.238  -6.267
  415   1HG2  THR  51          2HG2      THR  51  10.743  13.691  -7.363
  416   2HG2  THR  51          3HG2      THR  51  10.896  15.470  -7.390
  417   3HG2  THR  51          1HG2      THR  51  12.286  14.448  -7.828
  418    H    ASN  52           H        ASN  52   8.599  13.045  -5.058
  419    HA   ASN  52           HA       ASN  52   6.977  14.865  -6.570
  420   1HB   ASN  52          1HB       ASN  52   6.914  12.178  -6.236
  421   2HB   ASN  52          2HB       ASN  52   5.648  12.633  -5.092
  422   1HD2  ASN  52          2HD2      ASN  52   4.815  12.602  -9.028
  423   2HD2  ASN  52          1HD2      ASN  52   6.094  11.716  -8.239
  424    H    HIS  53           H        HIS  53   4.634  15.339  -5.673
  425    HA   HIS  53           HA       HIS  53   5.080  16.967  -3.255
  426   1HB   HIS  53          1HB       HIS  53   4.432  18.067  -5.400
  427   2HB   HIS  53          2HB       HIS  53   2.869  17.253  -5.291
  428    HD1  HIS  53          1HD       HIS  53   4.192  18.507  -1.917
  429    HD2  HIS  53          2HD       HIS  53   1.929  19.851  -5.219
  430    HE1  HIS  53          1HE       HIS  53   2.729  20.414  -1.080
  431    H    THR  54           H        THR  54   5.029  14.886  -2.244
  432    HA   THR  54           HA       THR  54   3.116  13.204  -1.509
  433    HB   THR  54           HB       THR  54   4.771  12.840  -0.124
  434    HG1  THR  54           HG1      THR  54   3.884  14.617   1.818
  435   1HG2  THR  54          2HG2      THR  54   5.191  15.770   0.233
  436   2HG2  THR  54          3HG2      THR  54   6.132  14.527   1.072
  437   3HG2  THR  54          1HG2      THR  54   6.193  14.626  -0.695
  438    H    ASN  55           H        ASN  55   3.171  16.256   0.239
  439    HA   ASN  55           HA       ASN  55   0.746  16.144   1.436
  440   1HB   ASN  55          1HB       ASN  55   2.346  17.997   1.757
  441   2HB   ASN  55          2HB       ASN  55   1.761  18.753   0.261
  442   1HD2  ASN  55          2HD2      ASN  55  -1.026  20.185   1.952
  443   2HD2  ASN  55          1HD2      ASN  55   0.017  20.222   0.551
  444    H    GLU  56           H        GLU  56   0.993  17.012  -2.053
  445    HA   GLU  56           HA       GLU  56  -1.864  17.599  -2.284
  446   1HB   GLU  56          1HB       GLU  56   0.591  17.852  -3.835
  447   2HB   GLU  56          2HB       GLU  56  -0.600  17.041  -4.794
  448   1HG   GLU  56          1HG       GLU  56  -1.536  19.491  -3.326
  449   2HG   GLU  56          2HG       GLU  56  -0.369  19.716  -4.616
  450    H    ILE  57           H        ILE  57   0.370  14.931  -3.044
  451    HA   ILE  57           HA       ILE  57  -1.525  13.138  -4.228
  452    HB   ILE  57           HB       ILE  57   1.210  12.983  -2.948
  453   1HG1  ILE  57          1HG1      ILE  57   0.288  11.893  -5.625
  454   2HG1  ILE  57          2HG1      ILE  57   0.640  13.609  -5.403
  455   1HG2  ILE  57          3HG2      ILE  57  -0.541  10.582  -3.476
  456   2HG2  ILE  57          1HG2      ILE  57   1.224  10.474  -3.485
  457   3HG2  ILE  57          2HG2      ILE  57   0.381  10.975  -2.019
  458   1HD1  ILE  57          1HD1      ILE  57   2.669  11.406  -4.815
  459   2HD1  ILE  57          2HD1      ILE  57   2.575  12.359  -6.297
  460   3HD1  ILE  57          3HD1      ILE  57   2.930  13.158  -4.750
  461    H    GLN  58           H        GLN  58  -0.624  13.808  -0.898
  462    HA   GLN  58           HA       GLN  58  -1.828  11.666   0.487
  463   1HB   GLN  58          1HB       GLN  58  -0.962  14.541   1.066
  464   2HB   GLN  58          2HB       GLN  58  -1.953  13.708   2.237
  465   1HG   GLN  58          1HG       GLN  58   0.732  12.705   1.269
  466   2HG   GLN  58          2HG       GLN  58   0.456  13.575   2.771
  467   1HE2  GLN  58          2HE2      GLN  58  -1.337  10.771   4.207
  468   2HE2  GLN  58          1HE2      GLN  58  -1.100  12.529   4.363
  469    H    ASP  59           H        ASP  59  -2.987  14.954  -0.356
  470    HA   ASP  59           HA       ASP  59  -5.596  14.805   0.736
  471   1HB   ASP  59          1HB       ASP  59  -4.120  16.720  -0.441
  472   2HB   ASP  59          2HB       ASP  59  -5.045  16.284  -1.842
  473    H    TYR  60           H        TYR  60  -4.330  14.123  -2.451
  474    HA   TYR  60           HA       TYR  60  -6.781  13.150  -3.578
  475   1HB   TYR  60          1HB       TYR  60  -4.991  13.698  -5.080
  476   2HB   TYR  60          2HB       TYR  60  -3.958  12.443  -4.410
  477    HD1  TYR  60          2HD       TYR  60  -7.564  12.497  -5.597
  478    HD2  TYR  60          1HD       TYR  60  -3.649  10.732  -5.971
  479    HE1  TYR  60          2HE       TYR  60  -8.472  10.887  -7.198
  480    HE2  TYR  60          1HE       TYR  60  -4.567   9.084  -7.616
  481    HH   TYR  60           HH       TYR  60  -8.038   8.973  -8.476
  482    H    LEU  61           H        LEU  61  -4.333  11.315  -1.662
  483    HA   LEU  61           HA       LEU  61  -5.582   8.731  -1.930
  484   1HB   LEU  61          1HB       LEU  61  -4.259   9.859   0.581
  485   2HB   LEU  61          2HB       LEU  61  -4.720   8.204   0.315
  486    HG   LEU  61           HG       LEU  61  -2.461   9.739  -1.010
  487   1HD1  LEU  61          1HD1      LEU  61  -2.537   7.226   0.725
  488   2HD1  LEU  61          2HD1      LEU  61  -1.082   7.979   0.027
  489   3HD1  LEU  61          3HD1      LEU  61  -2.027   8.841   1.238
  490   1HD2  LEU  61          3HD2      LEU  61  -3.623   7.042  -1.693
  491   2HD2  LEU  61          1HD2      LEU  61  -3.412   8.429  -2.770
  492   3HD2  LEU  61          2HD2      LEU  61  -1.986   7.548  -2.185
  493    H    GLN  62           H        GLN  62  -6.222  11.445   0.294
  494    HA   GLN  62           HA       GLN  62  -8.264  10.254   1.808
  495   1HB   GLN  62          1HB       GLN  62  -7.065  12.712   1.847
  496   2HB   GLN  62          2HB       GLN  62  -8.568  13.152   1.061
  497   1HG   GLN  62          1HG       GLN  62  -9.812  11.940   2.900
  498   2HG   GLN  62          2HG       GLN  62  -8.275  11.793   3.767
  499   1HE2  GLN  62          2HE2      GLN  62 -10.419  14.944   4.440
  500   2HE2  GLN  62          1HE2      GLN  62 -10.698  13.212   4.536
  501    H    GLN  63           H        GLN  63  -8.502  12.136  -1.253
  502    HA   GLN  63           HA       GLN  63 -11.334  11.935  -1.409
  503   1HB   GLN  63          1HB       GLN  63  -9.120  13.146  -2.867
  504   2HB   GLN  63          2HB       GLN  63 -10.089  12.237  -4.001
  505   1HG   GLN  63          1HG       GLN  63 -11.036  14.389  -3.975
  506   2HG   GLN  63          2HG       GLN  63 -12.143  13.420  -3.010
  507   1HE2  GLN  63          2HE2      GLN  63 -10.415  16.721  -1.410
  508   2HE2  GLN  63          1HE2      GLN  63 -10.539  16.351  -3.115
  509    H    LEU  64           H        LEU  64  -8.691   9.956  -2.754
  510    HA   LEU  64           HA       LEU  64 -10.396   8.521  -4.563
  511   1HB   LEU  64          1HB       LEU  64  -8.159   8.813  -5.229
  512   2HB   LEU  64          2HB       LEU  64  -7.549   8.367  -3.645
  513    HG   LEU  64           HG       LEU  64  -8.079   5.977  -4.051
  514   1HD1  LEU  64          1HD1      LEU  64  -8.571   6.998  -6.912
  515   2HD1  LEU  64          2HD1      LEU  64  -8.448   5.298  -6.426
  516   3HD1  LEU  64          3HD1      LEU  64  -9.797   6.275  -5.861
  517   1HD2  LEU  64          3HD2      LEU  64  -5.810   7.033  -4.478
  518   2HD2  LEU  64          1HD2      LEU  64  -6.156   5.617  -5.525
  519   3HD2  LEU  64          2HD2      LEU  64  -6.286   7.267  -6.154
  520    H    THR  65           H        THR  65  -9.469   7.925  -1.168
  521    HA   THR  65           HA       THR  65 -11.061   5.395  -1.278
  522    HB   THR  65           HB       THR  65  -9.713   4.550   0.525
  523    HG1  THR  65           HG1      THR  65  -8.215   5.613   1.533
  524   1HG2  THR  65          3HG2      THR  65  -8.900   4.233  -1.789
  525   2HG2  THR  65          1HG2      THR  65  -7.897   5.697  -1.611
  526   3HG2  THR  65          2HG2      THR  65  -7.576   4.275  -0.591
  527    H    GLY  66           H        GLY  66  -9.987   7.811   1.065
  528   1HA   GLY  66          1HA       GLY  66 -12.131   9.059   2.056
  529   2HA   GLY  66          2HA       GLY  66 -12.385   7.435   2.723
  530    H    ALA  67           H        ALA  67  -9.025   7.636   2.552
  531    HA   ALA  67           HA       ALA  67  -8.692   9.236   5.009
  532   1HB   ALA  67          1HB       ALA  67  -7.886   6.316   4.715
  533   2HB   ALA  67          2HB       ALA  67  -7.305   7.401   5.986
  534   3HB   ALA  67          3HB       ALA  67  -9.025   7.001   5.909
  535    H    ARG  68           H        ARG  68  -6.670  10.062   5.183
  536    HA   ARG  68           HA       ARG  68  -5.056   9.924   2.664
  537   1HB   ARG  68          1HB       ARG  68  -4.152  12.008   3.135
  538   2HB   ARG  68          2HB       ARG  68  -5.871  12.141   3.491
  539   1HG   ARG  68          1HG       ARG  68  -5.233  11.837   5.965
  540   2HG   ARG  68          2HG       ARG  68  -3.543  12.028   5.427
  541   1HD   ARG  68          1HD       ARG  68  -4.296  14.167   4.234
  542   2HD   ARG  68          2HD       ARG  68  -5.846  13.998   5.080
  543    HE   ARG  68           HE       ARG  68  -3.585  13.859   6.874
  544   1HH1  ARG  68          2HH2      ARG  68  -5.579  16.209   5.051
  545   2HH1  ARG  68          1HH2      ARG  68  -5.353  17.479   6.210
  546   1HH2  ARG  68          2HH1      ARG  68  -3.014  15.627   8.166
  547   2HH2  ARG  68          1HH1      ARG  68  -3.970  17.081   8.110
  548    H    THR  69           H        THR  69  -4.925   8.696   5.934
  549    HA   THR  69           HA       THR  69  -2.227   9.151   6.441
  550    HB   THR  69           HB       THR  69  -2.803   6.894   7.871
  551    HG1  THR  69           HG1      THR  69  -4.914   6.563   7.119
  552   1HG2  THR  69          3HG2      THR  69  -2.197   9.129   8.748
  553   2HG2  THR  69          1HG2      THR  69  -3.837   9.725   8.397
  554   3HG2  THR  69          2HG2      THR  69  -3.579   8.470   9.623
  555    H    VAL  70           H        VAL  70  -0.380   8.015   6.182
  556    HA   VAL  70           HA       VAL  70  -0.380   5.758   4.317
  557    HB   VAL  70           HB       VAL  70   2.186   6.487   4.263
  558   1HG1  VAL  70          2HG1      VAL  70   0.687   6.342   2.344
  559   2HG1  VAL  70          3HG1      VAL  70   0.000   7.933   2.739
  560   3HG1  VAL  70          1HG1      VAL  70   1.708   7.787   2.253
  561   1HG2  VAL  70          1HG2      VAL  70   1.951   8.373   5.901
  562   2HG2  VAL  70          2HG2      VAL  70   2.526   8.883   4.303
  563   3HG2  VAL  70          3HG2      VAL  70   0.856   9.197   4.758
  564    HA   PRO  71           HA       PRO  71   1.759   4.295   3.877
  565   1HB   PRO  71          1HB       PRO  71   1.750   1.573   4.160
  566   2HB   PRO  71          2HB       PRO  71   3.127   2.593   4.661
  567   1HG   PRO  71          1HG       PRO  71   0.879   1.531   6.374
  568   2HG   PRO  71          2HG       PRO  71   2.635   1.495   6.712
  569   1HD   PRO  71          1HD       PRO  71   1.052   3.403   7.798
  570   2HD   PRO  71          2HD       PRO  71   2.709   3.784   7.237
  571    H    ARG  72           H        ARG  72   0.348   3.743   2.233
  572    HA   ARG  72           HA       ARG  72  -2.408   2.922   3.097
  573   1HB   ARG  72          1HB       ARG  72  -2.285   5.241   2.143
  574   2HB   ARG  72          2HB       ARG  72  -1.779   4.517   0.599
  575   1HG   ARG  72          1HG       ARG  72  -3.893   2.981   0.954
  576   2HG   ARG  72          2HG       ARG  72  -4.381   4.211   2.129
  577   1HD   ARG  72          1HD       ARG  72  -5.473   4.632   0.078
  578   2HD   ARG  72          2HD       ARG  72  -4.263   5.900   0.283
  579    HE   ARG  72           HE       ARG  72  -2.900   3.988  -1.114
  580   1HH1  ARG  72          1HH2      ARG  72  -5.987   5.361  -3.406
  581   2HH1  ARG  72          2HH2      ARG  72  -6.032   5.484  -1.684
  582   1HH2  ARG  72          2HH1      ARG  72  -2.694   3.985  -3.438
  583   2HH2  ARG  72          1HH1      ARG  72  -4.039   4.431  -4.419
  584    H    VAL  73           H        VAL  73  -2.158   0.706   2.952
  585    HA   VAL  73           HA       VAL  73  -0.858  -0.509   0.663
  586    HB   VAL  73           HB       VAL  73  -2.584  -1.607   2.909
  587   1HG1  VAL  73          2HG1      VAL  73  -1.158  -3.143   0.673
  588   2HG1  VAL  73          3HG1      VAL  73  -1.883  -3.894   2.106
  589   3HG1  VAL  73          1HG1      VAL  73  -2.906  -3.075   0.944
  590   1HG2  VAL  73          3HG2      VAL  73   0.378  -1.706   2.405
  591   2HG2  VAL  73          1HG2      VAL  73  -0.482  -0.964   3.778
  592   3HG2  VAL  73          2HG2      VAL  73  -0.454  -2.721   3.588
  593    H    PHE  74           H        PHE  74  -1.733  -0.860  -1.282
  594    HA   PHE  74           HA       PHE  74  -4.665  -0.779  -1.588
  595   1HB   PHE  74          1HB       PHE  74  -3.037   1.196  -2.412
  596   2HB   PHE  74          2HB       PHE  74  -2.839   0.136  -3.789
  597    HD1  PHE  74          1HD       PHE  74  -5.417   1.858  -1.680
  598    HD2  PHE  74          2HD       PHE  74  -4.458   0.161  -5.502
  599    HE1  PHE  74          1HE       PHE  74  -7.512   2.842  -2.680
  600    HE2  PHE  74          2HE       PHE  74  -6.510   1.213  -6.469
  601    HZ   PHE  74           HZ       PHE  74  -8.066   2.491  -5.001
  602    H    ILE  75           H        ILE  75  -5.093  -2.923  -1.723
  603    HA   ILE  75           HA       ILE  75  -3.228  -4.818  -3.072
  604    HB   ILE  75           HB       ILE  75  -5.082  -5.020  -0.789
  605   1HG1  ILE  75          1HG1      ILE  75  -3.780  -7.354  -0.701
  606   2HG1  ILE  75          2HG1      ILE  75  -2.728  -6.570  -1.882
  607   1HG2  ILE  75          2HG2      ILE  75  -5.230  -7.172  -2.897
  608   2HG2  ILE  75          3HG2      ILE  75  -5.918  -7.273  -1.278
  609   3HG2  ILE  75          1HG2      ILE  75  -6.581  -6.112  -2.396
  610   1HD1  ILE  75          3HD1      ILE  75  -3.314  -5.674   0.937
  611   2HD1  ILE  75          1HD1      ILE  75  -1.852  -6.487   0.345
  612   3HD1  ILE  75          2HD1      ILE  75  -2.243  -4.872  -0.253
  613    H    GLY  76           H        GLY  76  -3.573  -4.892  -5.249
  614   1HA   GLY  76          1HA       GLY  76  -4.626  -5.106  -7.238
  615   2HA   GLY  76          2HA       GLY  76  -5.828  -5.998  -6.308
  616    H    LYS  77           H        LYS  77  -4.967  -2.574  -7.077
  617    HA   LYS  77           HA       LYS  77  -6.092  -0.776  -7.060
  618   1HB   LYS  77          1HB       LYS  77  -6.667  -2.113  -9.306
  619   2HB   LYS  77          2HB       LYS  77  -8.321  -1.942  -8.690
  620   1HG   LYS  77          1HG       LYS  77  -7.486   0.534  -8.224
  621   2HG   LYS  77          2HG       LYS  77  -6.258   0.150  -9.417
  622   1HD   LYS  77          1HD       LYS  77  -9.258   0.002  -9.905
  623   2HD   LYS  77          2HD       LYS  77  -8.256   1.428 -10.222
  624   1HE   LYS  77          1HE       LYS  77  -6.781  -0.154 -11.673
  625   2HE   LYS  77          2HE       LYS  77  -8.179  -1.264 -11.628
  626   1HZ   LYS  77          3HZ       LYS  77  -9.500   0.600 -12.522
  627   2HZ   LYS  77          1HZ       LYS  77  -8.140   1.524 -12.632
  628   3HZ   LYS  77          2HZ       LYS  77  -8.281   0.183 -13.552
  629    H    ASP  78           H        ASP  78  -6.847  -2.300  -4.586
  630    HA   ASP  78           HA       ASP  78  -9.108  -0.520  -4.000
  631   1HB   ASP  78          1HB       ASP  78  -9.965  -2.874  -4.495
  632   2HB   ASP  78          2HB       ASP  78  -8.975  -3.434  -3.132
  633    H    CYS  79           H        CYS  79  -9.065   0.168  -1.751
  634    HA   CYS  79           HA       CYS  79  -6.388  -0.118  -0.517
  635   1HB   CYS  79          1HB       CYS  79  -7.650   2.106  -0.795
  636   2HB   CYS  79          2HB       CYS  79  -8.720   1.590   0.481
  637    HG   CYS  79           HG       CYS  79  -7.171   3.026   1.760
  638    H    ILE  80           H        ILE  80  -5.984  -1.273   1.489
  639    HA   ILE  80           HA       ILE  80  -8.261  -2.754   2.555
  640    HB   ILE  80           HB       ILE  80  -6.678  -3.902   3.825
  641   1HG1  ILE  80          1HG1      ILE  80  -4.188  -3.549   3.331
  642   2HG1  ILE  80          2HG1      ILE  80  -4.660  -1.920   2.817
  643   1HG2  ILE  80          3HG2      ILE  80  -7.101  -4.571   1.489
  644   2HG2  ILE  80          1HG2      ILE  80  -5.683  -3.634   0.969
  645   3HG2  ILE  80          2HG2      ILE  80  -5.483  -5.035   2.047
  646   1HD1  ILE  80          3HD1      ILE  80  -5.351  -3.069   5.542
  647   2HD1  ILE  80          1HD1      ILE  80  -3.837  -2.203   5.200
  648   3HD1  ILE  80          2HD1      ILE  80  -5.378  -1.365   5.042
  649    H    GLY  81           H        GLY  81  -7.115   0.385   3.033
  650   1HA   GLY  81          1HA       GLY  81  -8.520   1.542   4.875
  651   2HA   GLY  81          2HA       GLY  81  -7.707   0.411   5.948
  652    H    GLY  82           H        GLY  82  -5.593   0.604   6.294
  653   1HA   GLY  82          1HA       GLY  82  -3.743   1.838   4.500
  654   2HA   GLY  82          2HA       GLY  82  -3.941   2.892   5.900
  655    H    CYS  83           H        CYS  83  -3.558   1.899   8.046
  656    HA   CYS  83           HA       CYS  83  -1.549  -0.321   7.922
  657   1HB   CYS  83          1HB       CYS  83  -0.018   1.201   8.292
  658   2HB   CYS  83          2HB       CYS  83  -1.182   2.471   8.663
  659    HG   CYS  83           HG       CYS  83  -1.403   2.079  11.143
  660    H    SER  84           H        SER  84  -4.101   1.205  10.021
  661    HA   SER  84           HA       SER  84  -3.458  -0.755  12.090
  662   1HB   SER  84          1HB       SER  84  -4.408   1.651  12.363
  663   2HB   SER  84          2HB       SER  84  -5.982   0.891  12.068
  664    HG   SER  84           HG       SER  84  -5.860  -0.093  13.926
  665    H    ASP  85           H        ASP  85  -5.671  -0.544   9.382
  666    HA   ASP  85           HA       ASP  85  -7.134  -3.001   9.857
  667   1HB   ASP  85          1HB       ASP  85  -6.410  -1.397   7.369
  668   2HB   ASP  85          2HB       ASP  85  -7.217  -2.956   7.273
  669    H    LEU  86           H        LEU  86  -4.030  -2.128   8.289
  670    HA   LEU  86           HA       LEU  86  -3.436  -4.679   7.246
  671   1HB   LEU  86          1HB       LEU  86  -2.252  -2.501   6.679
  672   2HB   LEU  86          2HB       LEU  86  -1.405  -2.654   8.214
  673    HG   LEU  86           HG       LEU  86  -0.497  -4.860   7.486
  674   1HD1  LEU  86          3HD1      LEU  86  -1.761  -4.105   4.819
  675   2HD1  LEU  86          1HD1      LEU  86  -0.509  -5.359   5.047
  676   3HD1  LEU  86          2HD1      LEU  86  -2.091  -5.547   5.795
  677   1HD2  LEU  86          3HD2      LEU  86   0.110  -2.412   5.792
  678   2HD2  LEU  86          1HD2      LEU  86   0.794  -2.811   7.376
  679   3HD2  LEU  86          2HD2      LEU  86   1.176  -3.828   5.984
  680    H    VAL  87           H        VAL  87  -2.825  -3.270  10.523
  681    HA   VAL  87           HA       VAL  87  -1.330  -5.406  11.572
  682    HB   VAL  87           HB       VAL  87  -3.059  -3.146  12.614
  683   1HG1  VAL  87          1HG1      VAL  87  -1.629  -5.188  14.325
  684   2HG1  VAL  87          2HG1      VAL  87  -2.328  -3.640  14.881
  685   3HG1  VAL  87          3HG1      VAL  87  -3.387  -4.895  14.247
  686   1HG2  VAL  87          1HG2      VAL  87  -0.808  -2.618  11.695
  687   2HG2  VAL  87          2HG2      VAL  87  -0.921  -2.286  13.427
  688   3HG2  VAL  87          3HG2      VAL  87  -0.081  -3.738  12.860
  689    H    SER  88           H        SER  88  -4.942  -4.888  11.337
  690    HA   SER  88           HA       SER  88  -5.633  -7.220  12.890
  691   1HB   SER  88          1HB       SER  88  -7.031  -5.376  10.978
  692   2HB   SER  88          2HB       SER  88  -7.550  -7.054  10.881
  693    HG   SER  88           HG       SER  88  -8.822  -6.255  12.384
  694    H    LEU  89           H        LEU  89  -5.241  -6.580   9.396
  695    HA   LEU  89           HA       LEU  89  -5.784  -9.158   8.429
  696   1HB   LEU  89          1HB       LEU  89  -4.011  -6.944   7.373
  697   2HB   LEU  89          2HB       LEU  89  -4.317  -8.377   6.460
  698    HG   LEU  89           HG       LEU  89  -6.781  -6.984   7.397
  699   1HD1  LEU  89          2HD1      LEU  89  -5.038  -5.945   5.111
  700   2HD1  LEU  89          3HD1      LEU  89  -6.716  -5.457   5.479
  701   3HD1  LEU  89          1HD1      LEU  89  -5.443  -5.093   6.618
  702   1HD2  LEU  89          1HD2      LEU  89  -6.763  -9.060   5.935
  703   2HD2  LEU  89          2HD2      LEU  89  -7.597  -7.691   5.219
  704   3HD2  LEU  89          3HD2      LEU  89  -5.956  -8.128   4.682
  705    H    GLN  90           H        GLN  90  -2.650  -7.811   9.694
  706    HA   GLN  90           HA       GLN  90  -1.221 -10.263   9.184
  707   1HB   GLN  90          1HB       GLN  90  -0.061  -8.111   9.662
  708   2HB   GLN  90          2HB       GLN  90  -0.661  -8.173  11.330
  709   1HG   GLN  90          1HG       GLN  90   0.495 -10.407  11.607
  710   2HG   GLN  90          2HG       GLN  90   1.136 -10.233   9.972
  711   1HE2  GLN  90          2HE2      GLN  90   3.999  -8.846  11.533
  712   2HE2  GLN  90          1HE2      GLN  90   3.379 -10.015  10.421
  713    H    GLN  91           H        GLN  91  -2.753  -9.004  12.296
  714    HA   GLN  91           HA       GLN  91  -1.941 -11.127  13.816
  715   1HB   GLN  91          1HB       GLN  91  -3.430  -8.645  13.968
  716   2HB   GLN  91          2HB       GLN  91  -4.438  -9.852  14.705
  717   1HG   GLN  91          1HG       GLN  91  -1.525  -9.376  15.390
  718   2HG   GLN  91          2HG       GLN  91  -2.898  -8.623  16.165
  719   1HE2  GLN  91          2HE2      GLN  91  -1.675 -12.136  17.589
  720   2HE2  GLN  91          1HE2      GLN  91  -0.680 -11.014  16.653
  721    H    SER  92           H        SER  92  -5.135 -10.548  12.319
  722    HA   SER  92           HA       SER  92  -6.293 -13.099  13.103
  723   1HB   SER  92          1HB       SER  92  -7.562 -10.970  12.875
  724   2HB   SER  92          2HB       SER  92  -7.170 -10.926  11.146
  725    HG   SER  92           HG       SER  92  -8.205 -13.139  11.223
  726    H    GLY  93           H        GLY  93  -3.903 -12.354  10.849
  727   1HA   GLY  93          1HA       GLY  93  -3.045 -13.427   9.083
  728   2HA   GLY  93          2HA       GLY  93  -4.153 -14.767   9.410
  729    H    GLU  94           H        GLU  94  -5.968 -11.776   8.815
  730    HA   GLU  94           HA       GLU  94  -6.999 -13.109   6.495
  731   1HB   GLU  94          1HB       GLU  94  -8.387 -11.694   7.992
  732   2HB   GLU  94          2HB       GLU  94  -7.545 -10.273   7.431
  733   1HG   GLU  94          1HG       GLU  94  -8.282 -10.941   5.040
  734   2HG   GLU  94          2HG       GLU  94  -9.217 -12.239   5.772
  735    H    LEU  95           H        LEU  95  -4.353 -10.886   6.974
  736    HA   LEU  95           HA       LEU  95  -4.005  -9.688   4.515
  737   1HB   LEU  95          1HB       LEU  95  -2.517  -9.441   6.555
  738   2HB   LEU  95          2HB       LEU  95  -1.828 -11.006   6.202
  739    HG   LEU  95           HG       LEU  95  -0.795 -10.164   4.191
  740   1HD1  LEU  95          2HD1      LEU  95  -2.366  -7.592   4.678
  741   2HD1  LEU  95          3HD1      LEU  95  -1.023  -7.741   3.524
  742   3HD1  LEU  95          1HD1      LEU  95  -2.493  -8.668   3.271
  743   1HD2  LEU  95          2HD2      LEU  95   0.249  -9.664   6.428
  744   2HD2  LEU  95          3HD2      LEU  95   0.712  -8.520   5.167
  745   3HD2  LEU  95          1HD2      LEU  95  -0.502  -8.059   6.384
  746    H    LEU  96           H        LEU  96  -3.388 -13.090   5.357
  747    HA   LEU  96           HA       LEU  96  -1.900 -13.692   2.952
  748   1HB   LEU  96          1HB       LEU  96  -3.411 -15.416   4.980
  749   2HB   LEU  96          2HB       LEU  96  -2.604 -16.106   3.594
  750    HG   LEU  96           HG       LEU  96  -1.312 -16.339   5.645
  751   1HD1  LEU  96          1HD1      LEU  96  -0.128 -16.317   3.517
  752   2HD1  LEU  96          2HD1      LEU  96   0.092 -14.550   3.619
  753   3HD1  LEU  96          3HD1      LEU  96   0.863 -15.630   4.803
  754   1HD2  LEU  96          2HD2      LEU  96  -1.926 -14.204   6.777
  755   2HD2  LEU  96          3HD2      LEU  96  -0.193 -14.547   6.778
  756   3HD2  LEU  96          1HD2      LEU  96  -0.839 -13.333   5.661
  757    H    THR  97           H        THR  97  -5.327 -14.224   3.928
  758    HA   THR  97           HA       THR  97  -6.292 -15.171   1.479
  759    HB   THR  97           HB       THR  97  -7.779 -13.414   3.483
  760    HG1  THR  97           HG1      THR  97  -8.036 -15.257   4.708
  761   1HG2  THR  97          2HG2      THR  97  -9.065 -14.108   1.470
  762   2HG2  THR  97          3HG2      THR  97  -8.680 -15.809   1.818
  763   3HG2  THR  97          1HG2      THR  97  -9.688 -14.872   2.942
  764    H    ARG  98           H        ARG  98  -6.217 -11.821   2.759
  765    HA   ARG  98           HA       ARG  98  -7.341 -10.421   0.613
  766   1HB   ARG  98          1HB       ARG  98  -6.874  -9.584   2.921
  767   2HB   ARG  98          2HB       ARG  98  -5.156  -9.576   2.549
  768   1HG   ARG  98          1HG       ARG  98  -5.982  -7.338   2.392
  769   2HG   ARG  98          2HG       ARG  98  -5.504  -7.898   0.798
  770   1HD   ARG  98          1HD       ARG  98  -7.515  -6.656   0.520
  771   2HD   ARG  98          2HD       ARG  98  -7.942  -8.334   0.294
  772    HE   ARG  98           HE       ARG  98  -8.571  -6.500   2.564
  773   1HH1  ARG  98          2HH2      ARG  98  -9.373  -9.792   1.282
  774   2HH1  ARG  98          1HH2      ARG  98 -10.185 -10.160   2.797
  775   1HH2  ARG  98          2HH1      ARG  98  -9.883  -7.033   4.230
  776   2HH2  ARG  98          1HH1      ARG  98 -10.533  -8.642   4.394
  777    H    LEU  99           H        LEU  99  -3.929 -11.447   1.058
  778    HA   LEU  99           HA       LEU  99  -3.139 -10.140  -1.454
  779   1HB   LEU  99          1HB       LEU  99  -1.863 -12.197   0.434
  780   2HB   LEU  99          2HB       LEU  99  -1.035 -11.630  -1.008
  781    HG   LEU  99           HG       LEU  99  -1.939  -9.694   1.151
  782   1HD1  LEU  99          2HD1      LEU  99   0.704 -11.198   0.861
  783   2HD1  LEU  99          3HD1      LEU  99   0.417  -9.822   1.959
  784   3HD1  LEU  99          1HD1      LEU  99  -0.462 -11.344   2.183
  785   1HD2  LEU  99          1HD2      LEU  99   0.172  -9.531  -1.044
  786   2HD2  LEU  99          2HD2      LEU  99  -1.408  -8.704  -1.034
  787   3HD2  LEU  99          3HD2      LEU  99  -0.178  -8.280   0.167
  788    H    LYS 100           H        LYS 100  -3.888 -13.595  -0.571
  789    HA   LYS 100           HA       LYS 100  -3.340 -14.303  -3.300
  790   1HB   LYS 100          1HB       LYS 100  -4.124 -15.749  -0.954
  791   2HB   LYS 100          2HB       LYS 100  -5.280 -16.149  -2.227
  792   1HG   LYS 100          1HG       LYS 100  -3.244 -16.399  -3.816
  793   2HG   LYS 100          2HG       LYS 100  -2.241 -16.259  -2.394
  794   1HD   LYS 100          1HD       LYS 100  -3.468 -18.243  -1.380
  795   2HD   LYS 100          2HD       LYS 100  -4.408 -18.405  -2.868
  796   1HE   LYS 100          1HE       LYS 100  -1.390 -18.805  -2.616
  797   2HE   LYS 100          2HE       LYS 100  -2.610 -20.093  -2.688
  798   1HZ   LYS 100          2HZ       LYS 100  -3.079 -19.365  -4.988
  799   2HZ   LYS 100          3HZ       LYS 100  -1.890 -18.203  -4.824
  800   3HZ   LYS 100          1HZ       LYS 100  -1.473 -19.709  -4.789
  801    H    GLN 101           H        GLN 101  -6.144 -12.940  -1.849
  802    HA   GLN 101           HA       GLN 101  -8.069 -13.211  -3.833
  803   1HB   GLN 101          1HB       GLN 101  -8.031 -11.983  -1.540
  804   2HB   GLN 101          2HB       GLN 101  -7.533 -10.563  -2.458
  805   1HG   GLN 101          1HG       GLN 101  -9.609 -10.455  -3.592
  806   2HG   GLN 101          2HG       GLN 101 -10.025 -12.120  -3.150
  807   1HE2  GLN 101          2HE2      GLN 101 -12.122 -10.495  -0.744
  808   2HE2  GLN 101          1HE2      GLN 101 -12.092 -11.114  -2.370
  809    H    ILE 102           H        ILE 102  -4.990 -11.362  -4.152
  810    HA   ILE 102           HA       ILE 102  -5.942 -10.628  -6.904
  811    HB   ILE 102           HB       ILE 102  -4.388  -8.889  -6.947
  812   1HG1  ILE 102          1HG1      ILE 102  -3.246  -8.849  -4.270
  813   2HG1  ILE 102          2HG1      ILE 102  -2.959 -10.411  -4.981
  814   1HG2  ILE 102          2HG2      ILE 102  -6.436  -8.399  -5.718
  815   2HG2  ILE 102          3HG2      ILE 102  -5.677  -8.920  -4.195
  816   3HG2  ILE 102          1HG2      ILE 102  -5.038  -7.514  -5.056
  817   1HD1  ILE 102          2HD1      ILE 102  -2.038  -9.315  -7.028
  818   2HD1  ILE 102          3HD1      ILE 102  -2.202  -7.757  -6.183
  819   3HD1  ILE 102          1HD1      ILE 102  -1.110  -9.022  -5.559
  820    H    GLY 103           H        GLY 103  -4.598 -13.295  -5.795
  821   1HA   GLY 103          1HA       GLY 103  -3.301 -14.913  -6.807
  822   2HA   GLY 103          2HA       GLY 103  -3.109 -13.851  -8.209
  823    H    ALA 104           H        ALA 104  -2.200 -13.246  -4.800
  824    HA   ALA 104           HA       ALA 104   0.568 -12.469  -5.581
  825   1HB   ALA 104          3HB       ALA 104  -1.073 -12.509  -2.984
  826   2HB   ALA 104          1HB       ALA 104   0.506 -11.758  -3.143
  827   3HB   ALA 104          2HB       ALA 104  -0.911 -11.081  -4.014
  828    H    LEU 105           H        LEU 105  -0.655 -14.423  -2.677
  829    HA   LEU 105           HA       LEU 105   1.870 -15.768  -2.678
  830   1HB   LEU 105          1HB       LEU 105  -0.431 -17.241  -1.567
  831   2HB   LEU 105          2HB       LEU 105   1.121 -16.846  -0.897
  832    HG   LEU 105           HG       LEU 105  -1.193 -14.889  -0.912
  833   1HD1  LEU 105          1HD1      LEU 105  -0.191 -16.791   1.234
  834   2HD1  LEU 105          2HD1      LEU 105  -1.395 -15.510   1.475
  835   3HD1  LEU 105          3HD1      LEU 105  -1.758 -16.859   0.400
  836   1HD2  LEU 105          2HD2      LEU 105   1.427 -14.864   0.638
  837   2HD2  LEU 105          3HD2      LEU 105   1.025 -13.792  -0.707
  838   3HD2  LEU 105          1HD2      LEU 105   0.105 -13.696   0.802
  839    H    GLN 106           H        GLN 106   2.401 -17.572  -3.838
  840    HA   GLN 106           HA       GLN 106   1.054 -17.558  -6.333
  841   1HB   GLN 106          2HB       GLN 106   3.473 -17.679  -6.061
  842   2HB   GLN 106          3HB       GLN 106   3.337 -19.316  -5.393
  843   1HG   GLN 106          2HG       GLN 106   2.523 -20.176  -7.515
  844   2HG   GLN 106          3HG       GLN 106   2.247 -18.550  -8.137
  845   1HE2  GLN 106          2HE2      GLN 106   6.095 -20.046  -8.128
  846   2HE2  GLN 106          1HE2      GLN 106   4.886 -20.760  -7.069
   
  No H/Q in entry =         846
  Start of MODEL   19
    1   1H    ALA   2          2H        ALA   2  -4.000  14.725  -7.645
    2   2H    ALA   2          3H        ALA   2  -3.727  13.781  -6.312
    3   3H    ALA   2          1H        ALA   2  -2.825  15.138  -6.598
    4    HA   ALA   2           HA       ALA   2  -1.926  14.233  -8.575
    5   1HB   ALA   2          2HB       ALA   2  -0.714  13.960  -6.445
    6   2HB   ALA   2          3HB       ALA   2  -1.507  12.375  -6.222
    7   3HB   ALA   2          1HB       ALA   2  -0.403  12.638  -7.583
    8    H    GLN   3           H        GLN   3  -3.941  13.722  -9.752
    9    HA   GLN   3           HA       GLN   3  -5.255  11.182  -9.400
   10   1HB   GLN   3          1HB       GLN   3  -6.799  12.032 -11.043
   11   2HB   GLN   3          2HB       GLN   3  -6.383  13.308  -9.901
   12   1HG   GLN   3          1HG       GLN   3  -4.532  13.930 -11.737
   13   2HG   GLN   3          2HG       GLN   3  -5.575  12.988 -12.799
   14   1HE2  GLN   3          2HE2      GLN   3  -6.541  16.567 -13.086
   15   2HE2  GLN   3          1HE2      GLN   3  -5.137  15.584 -13.437
   16    H    GLU   4           H        GLU   4  -2.455  10.940 -10.195
   17    HA   GLU   4           HA       GLU   4  -2.607   9.309 -12.639
   18   1HB   GLU   4          1HB       GLU   4  -2.543  11.738 -13.352
   19   2HB   GLU   4          2HB       GLU   4  -1.035  11.912 -12.465
   20   1HG   GLU   4          1HG       GLU   4   0.000  10.183 -13.955
   21   2HG   GLU   4          2HG       GLU   4  -1.519  10.089 -14.852
   22    H    PHE   5           H        PHE   5  -0.296  11.184 -10.508
   23    HA   PHE   5           HA       PHE   5   1.685   9.198 -10.489
   24   1HB   PHE   5          1HB       PHE   5   1.723  11.611  -9.522
   25   2HB   PHE   5          2HB       PHE   5   1.181  10.883  -8.024
   26    HD1  PHE   5          1HD       PHE   5   2.694   8.733  -7.234
   27    HD2  PHE   5          2HD       PHE   5   3.998  11.849  -9.931
   28    HE1  PHE   5          1HE       PHE   5   5.063   8.145  -6.787
   29    HE2  PHE   5          2HE       PHE   5   6.352  11.291  -9.421
   30    HZ   PHE   5           HZ       PHE   5   6.890   9.436  -7.843
   31    H    VAL   6           H        VAL   6  -1.091   9.554  -8.156
   32    HA   VAL   6           HA       VAL   6  -0.449   6.933  -6.989
   33    HB   VAL   6           HB       VAL   6  -2.621   8.989  -6.561
   34   1HG1  VAL   6          3HG1      VAL   6  -2.509   6.223  -5.291
   35   2HG1  VAL   6          1HG1      VAL   6  -3.506   7.558  -4.704
   36   3HG1  VAL   6          2HG1      VAL   6  -3.808   6.864  -6.305
   37   1HG2  VAL   6          2HG2      VAL   6  -0.326   9.244  -5.477
   38   2HG2  VAL   6          3HG2      VAL   6  -1.683   9.160  -4.333
   39   3HG2  VAL   6          1HG2      VAL   6  -0.647   7.756  -4.589
   40    H    ASN   7           H        ASN   7  -2.936   8.339  -9.175
   41    HA   ASN   7           HA       ASN   7  -4.576   6.072  -9.092
   42   1HB   ASN   7          1HB       ASN   7  -5.080   8.479  -9.953
   43   2HB   ASN   7          2HB       ASN   7  -4.524   7.878 -11.524
   44   1HD2  ASN   7          2HD2      ASN   7  -8.212   6.842 -10.034
   45   2HD2  ASN   7          1HD2      ASN   7  -7.204   8.085  -9.387
   46    H    CYS   8           H        CYS   8  -2.102   6.902 -11.566
   47    HA   CYS   8           HA       CYS   8  -2.581   4.498 -13.100
   48   1HB   CYS   8          1HB       CYS   8  -1.784   6.713 -14.014
   49   2HB   CYS   8          2HB       CYS   8  -0.220   6.422 -13.224
   50    HG   CYS   8           HG       CYS   8  -0.474   5.961 -15.950
   51    H    LYS   9           H        LYS   9  -0.670   5.285 -10.268
   52    HA   LYS   9           HA       LYS   9   1.299   3.209 -10.620
   53   1HB   LYS   9          1HB       LYS   9   0.626   5.159  -8.555
   54   2HB   LYS   9          2HB       LYS   9   0.826   3.596  -7.827
   55   1HG   LYS   9          1HG       LYS   9   2.878   4.869  -7.805
   56   2HG   LYS   9          2HG       LYS   9   3.019   3.323  -8.599
   57   1HD   LYS   9          1HD       LYS   9   2.896   4.677 -10.841
   58   2HD   LYS   9          2HD       LYS   9   3.078   6.110  -9.818
   59   1HE   LYS   9          1HE       LYS   9   5.307   5.496 -10.481
   60   2HE   LYS   9          2HE       LYS   9   5.135   5.002  -8.794
   61   1HZ   LYS   9          3HZ       LYS   9   4.468   2.739  -9.871
   62   2HZ   LYS   9          1HZ       LYS   9   5.188   3.342 -11.205
   63   3HZ   LYS   9          2HZ       LYS   9   6.070   3.156  -9.848
   64    H    ILE  10           H        ILE  10  -1.922   3.287  -8.874
   65    HA   ILE  10           HA       ILE  10  -1.628   0.602  -7.975
   66    HB   ILE  10           HB       ILE  10  -4.164   2.149  -8.610
   67   1HG1  ILE  10          1HG1      ILE  10  -3.142   2.016  -5.774
   68   2HG1  ILE  10          2HG1      ILE  10  -2.314   3.134  -6.842
   69   1HG2  ILE  10          3HG2      ILE  10  -3.627  -0.191  -6.720
   70   2HG2  ILE  10          1HG2      ILE  10  -5.102   0.796  -6.707
   71   3HG2  ILE  10          2HG2      ILE  10  -4.709  -0.163  -8.139
   72   1HD1  ILE  10          2HD1      ILE  10  -5.304   3.086  -6.438
   73   2HD1  ILE  10          3HD1      ILE  10  -4.138   4.252  -5.749
   74   3HD1  ILE  10          1HD1      ILE  10  -4.398   4.182  -7.510
   75    H    GLN  11           H        GLN  11  -2.609  -1.307  -8.845
   76    HA   GLN  11           HA       GLN  11  -3.739  -1.238 -11.522
   77   1HB   GLN  11          1HB       GLN  11  -1.194  -1.481 -11.694
   78   2HB   GLN  11          2HB       GLN  11  -1.337  -2.961 -10.752
   79   1HG   GLN  11          1HG       GLN  11  -2.814  -3.879 -12.610
   80   2HG   GLN  11          2HG       GLN  11  -2.458  -2.427 -13.524
   81   1HE2  GLN  11          2HE2      GLN  11   0.109  -5.490 -13.758
   82   2HE2  GLN  11          1HE2      GLN  11  -1.580  -5.578 -13.302
   83    HA   PRO  12           HA       PRO  12  -5.766  -4.756  -9.335
   84   1HB   PRO  12          1HB       PRO  12  -6.578  -6.248 -11.495
   85   2HB   PRO  12          2HB       PRO  12  -7.436  -4.790 -10.908
   86   1HG   PRO  12          1HG       PRO  12  -5.425  -4.965 -13.166
   87   2HG   PRO  12          2HG       PRO  12  -7.045  -4.182 -13.173
   88   1HD   PRO  12          1HD       PRO  12  -4.796  -2.740 -12.751
   89   2HD   PRO  12          2HD       PRO  12  -6.286  -2.383 -11.840
   90    H    GLY  13           H        GLY  13  -5.305  -7.095  -9.287
   91   1HA   GLY  13          1HA       GLY  13  -3.710  -8.797  -8.970
   92   2HA   GLY  13          2HA       GLY  13  -3.312  -8.456 -10.639
   93    H    LYS  14           H        LYS  14  -2.695  -5.941  -8.192
   94    HA   LYS  14           HA       LYS  14   0.098  -6.733  -7.922
   95   1HB   LYS  14          1HB       LYS  14  -0.550  -4.968  -9.948
   96   2HB   LYS  14          2HB       LYS  14  -0.267  -3.839  -8.633
   97   1HG   LYS  14          1HG       LYS  14   2.014  -4.599  -8.394
   98   2HG   LYS  14          2HG       LYS  14   1.674  -6.077  -9.306
   99   1HD   LYS  14          1HD       LYS  14   3.000  -4.718 -10.686
  100   2HD   LYS  14          2HD       LYS  14   1.377  -4.773 -11.373
  101   1HE   LYS  14          1HE       LYS  14   0.928  -2.499 -10.392
  102   2HE   LYS  14          2HE       LYS  14   2.582  -2.484  -9.745
  103   1HZ   LYS  14          3HZ       LYS  14   3.379  -2.674 -12.034
  104   2HZ   LYS  14          1HZ       LYS  14   1.836  -2.572 -12.611
  105   3HZ   LYS  14          2HZ       LYS  14   2.549  -1.313 -11.822
  106    H    VAL  15           H        VAL  15   1.148  -5.376  -6.134
  107    HA   VAL  15           HA       VAL  15  -0.911  -4.626  -4.141
  108    HB   VAL  15           HB       VAL  15   1.683  -6.189  -3.631
  109   1HG1  VAL  15          2HG1      VAL  15  -0.586  -5.113  -1.954
  110   2HG1  VAL  15          3HG1      VAL  15   0.499  -6.390  -1.360
  111   3HG1  VAL  15          1HG1      VAL  15   1.120  -4.782  -1.754
  112   1HG2  VAL  15          3HG2      VAL  15  -0.020  -7.585  -4.804
  113   2HG2  VAL  15          1HG2      VAL  15   0.356  -8.080  -3.166
  114   3HG2  VAL  15          2HG2      VAL  15  -1.153  -7.189  -3.488
  115    H    VAL  16           H        VAL  16  -0.771  -2.426  -4.517
  116    HA   VAL  16           HA       VAL  16   1.974  -1.254  -4.672
  117    HB   VAL  16           HB       VAL  16  -0.685  -0.362  -5.852
  118   1HG1  VAL  16          2HG1      VAL  16   2.071   0.916  -6.017
  119   2HG1  VAL  16          3HG1      VAL  16   0.640   1.422  -6.940
  120   3HG1  VAL  16          1HG1      VAL  16   0.661   1.605  -5.182
  121   1HG2  VAL  16          2HG2      VAL  16   1.913  -1.440  -7.068
  122   2HG2  VAL  16          3HG2      VAL  16   0.352  -2.271  -7.035
  123   3HG2  VAL  16          1HG2      VAL  16   0.542  -0.809  -8.008
  124    H    VAL  17           H        VAL  17   2.593   0.095  -3.067
  125    HA   VAL  17           HA       VAL  17   0.535   0.793  -1.039
  126    HB   VAL  17           HB       VAL  17   3.354  -0.225  -0.519
  127   1HG1  VAL  17          3HG1      VAL  17   0.965   0.295   1.300
  128   2HG1  VAL  17          1HG1      VAL  17   2.493  -0.468   1.815
  129   3HG1  VAL  17          2HG1      VAL  17   2.462   1.206   1.257
  130   1HG2  VAL  17          3HG2      VAL  17   0.766  -1.806  -0.466
  131   2HG2  VAL  17          1HG2      VAL  17   2.193  -2.090  -1.478
  132   3HG2  VAL  17          2HG2      VAL  17   2.310  -2.329   0.257
  133    H    PHE  18           H        PHE  18   0.446   2.947  -0.799
  134    HA   PHE  18           HA       PHE  18   2.756   4.570  -1.665
  135   1HB   PHE  18          1HB       PHE  18   0.037   5.439  -0.631
  136   2HB   PHE  18          2HB       PHE  18   1.275   6.531  -1.268
  137    HD1  PHE  18          2HD       PHE  18   1.995   6.466  -3.631
  138    HD2  PHE  18          1HD       PHE  18  -1.160   3.941  -2.150
  139    HE1  PHE  18          2HE       PHE  18   1.309   5.959  -5.956
  140    HE2  PHE  18          1HE       PHE  18  -1.876   3.461  -4.467
  141    HZ   PHE  18           HZ       PHE  18  -0.657   4.496  -6.377
  142    H    ILE  19           H        ILE  19   4.289   5.207  -0.243
  143    HA   ILE  19           HA       ILE  19   3.853   4.995   2.683
  144    HB   ILE  19           HB       ILE  19   6.113   4.031   2.853
  145   1HG1  ILE  19          1HG1      ILE  19   6.359   3.270  -0.019
  146   2HG1  ILE  19          2HG1      ILE  19   6.644   4.959   0.322
  147   1HG2  ILE  19          2HG2      ILE  19   4.230   2.499   2.791
  148   2HG2  ILE  19          3HG2      ILE  19   4.360   2.387   1.016
  149   3HG2  ILE  19          1HG2      ILE  19   5.662   1.785   2.049
  150   1HD1  ILE  19          3HD1      ILE  19   8.074   2.741   1.791
  151   2HD1  ILE  19          1HD1      ILE  19   8.721   3.664   0.422
  152   3HD1  ILE  19          2HD1      ILE  19   8.355   4.492   1.947
  153    H    LYS  20           H        LYS  20   6.028   5.973   3.775
  154    HA   LYS  20           HA       LYS  20   7.339   7.889   2.025
  155   1HB   LYS  20          1HB       LYS  20   6.872   9.753   3.011
  156   2HB   LYS  20          2HB       LYS  20   5.464   9.013   3.682
  157   1HG   LYS  20          1HG       LYS  20   6.972   8.696   5.728
  158   2HG   LYS  20          2HG       LYS  20   8.168   9.676   4.930
  159   1HD   LYS  20          1HD       LYS  20   5.323  10.586   5.485
  160   2HD   LYS  20          2HD       LYS  20   6.698  10.847   6.569
  161   1HE   LYS  20          1HE       LYS  20   7.913  12.066   4.799
  162   2HE   LYS  20          2HE       LYS  20   6.524  11.870   3.707
  163   1HZ   LYS  20          2HZ       LYS  20   6.431  13.237   6.324
  164   2HZ   LYS  20          3HZ       LYS  20   6.516  14.008   4.870
  165   3HZ   LYS  20          1HZ       LYS  20   5.192  13.109   5.256
  166    HA   PRO  21           HA       PRO  21  10.714   6.013   3.902
  167   1HB   PRO  21          1HB       PRO  21  12.779   7.783   3.718
  168   2HB   PRO  21          2HB       PRO  21  11.971   7.093   2.280
  169   1HG   PRO  21          1HG       PRO  21  11.524   9.800   3.549
  170   2HG   PRO  21          2HG       PRO  21  11.680   9.390   1.812
  171   1HD   PRO  21          1HD       PRO  21   9.260   9.719   3.084
  172   2HD   PRO  21          2HD       PRO  21   9.497   8.658   1.697
  173    H    THR  22           H        THR  22   9.933   9.212   5.335
  174    HA   THR  22           HA       THR  22  11.332   8.614   7.817
  175    HB   THR  22           HB       THR  22  10.639  10.913   8.368
  176    HG1  THR  22           HG1      THR  22   9.514  12.107   7.057
  177   1HG2  THR  22          3HG2      THR  22  12.745  10.491   7.032
  178   2HG2  THR  22          1HG2      THR  22  11.825  10.815   5.554
  179   3HG2  THR  22          2HG2      THR  22  12.028  12.087   6.762
  180    H    CYS  23           H        CSN  23   8.383   7.573   6.629
  181    HA   CYS  23           HA       CSN  23   6.974   7.794   9.189
  182   1HB   CYS  23          2HB       CSN  23   6.260   7.009   6.394
  183   2HB   CYS  23          3HB       CSN  23   5.474   6.148   7.602
  184    HA   PRO  24           HA       PRO  24   8.837   3.841  10.385
  185   1HB   PRO  24          1HB       PRO  24   8.005   3.830  12.995
  186   2HB   PRO  24          2HB       PRO  24   9.405   4.775  12.404
  187   1HG   PRO  24          1HG       PRO  24   6.576   5.739  12.871
  188   2HG   PRO  24          2HG       PRO  24   8.116   6.516  13.374
  189   1HD   PRO  24          1HD       PRO  24   6.759   7.254  11.159
  190   2HD   PRO  24          2HD       PRO  24   8.523   7.288  11.179
  191    H    TYR  25           H        TYR  25   5.383   4.883  10.660
  192    HA   TYR  25           HA       TYR  25   4.473   2.157  11.125
  193   1HB   TYR  25          1HB       TYR  25   2.989   4.670  10.268
  194   2HB   TYR  25          2HB       TYR  25   2.226   3.119  10.535
  195    HD1  TYR  25          1HD       TYR  25   2.479   1.963  12.809
  196    HD2  TYR  25          2HD       TYR  25   3.355   6.140  12.182
  197    HE1  TYR  25          1HE       TYR  25   2.269   2.361  15.230
  198    HE2  TYR  25          2HE       TYR  25   3.169   6.549  14.609
  199    HH   TYR  25           HH       TYR  25   1.921   4.094  16.822
  200    H    CYS  26           H        CYS  26   5.371   4.023   8.283
  201    HA   CYS  26           HA       CYS  26   4.242   2.151   6.333
  202   1HB   CYS  26          1HB       CYS  26   6.565   4.149   6.160
  203   2HB   CYS  26          2HB       CYS  26   6.072   3.071   4.869
  204    HG   CYS  26           HG       CYS  26   3.969   5.096   6.467
  205    H    ARG  27           H        ARG  27   7.433   2.684   7.861
  206    HA   ARG  27           HA       ARG  27   8.814   0.591   6.716
  207   1HB   ARG  27          1HB       ARG  27   9.460   2.566   8.344
  208   2HB   ARG  27          2HB       ARG  27   9.308   1.327   9.599
  209   1HG   ARG  27          1HG       ARG  27  10.973  -0.079   8.296
  210   2HG   ARG  27          2HG       ARG  27  11.113   1.268   7.138
  211   1HD   ARG  27          1HD       ARG  27  11.477   2.717   9.339
  212   2HD   ARG  27          2HD       ARG  27  11.833   1.165  10.076
  213    HE   ARG  27           HE       ARG  27  13.905   1.308   9.211
  214   1HH1  ARG  27          2HH2      ARG  27  11.859   3.272   7.039
  215   2HH1  ARG  27          1HH2      ARG  27  13.195   3.944   6.192
  216   1HH2  ARG  27          2HH1      ARG  27  15.648   2.307   8.164
  217   2HH2  ARG  27          1HH1      ARG  27  15.414   3.424   6.853
  218    H    ARG  28           H        ARG  28   6.808   0.364   9.690
  219    HA   ARG  28           HA       ARG  28   7.251  -2.424  10.201
  220   1HB   ARG  28          1HB       ARG  28   6.063  -1.147  11.766
  221   2HB   ARG  28          2HB       ARG  28   4.862  -0.589  10.627
  222   1HG   ARG  28          1HG       ARG  28   3.721  -2.706  10.539
  223   2HG   ARG  28          2HG       ARG  28   5.094  -3.596  11.170
  224   1HD   ARG  28          1HD       ARG  28   4.812  -2.339  13.362
  225   2HD   ARG  28          2HD       ARG  28   3.312  -1.653  12.714
  226    HE   ARG  28           HE       ARG  28   2.906  -4.290  12.326
  227   1HH1  ARG  28          2HH2      ARG  28   4.129  -2.692  15.251
  228   2HH1  ARG  28          1HH2      ARG  28   3.153  -3.600  16.335
  229   1HH2  ARG  28          2HH1      ARG  28   2.056  -5.870  13.780
  230   2HH2  ARG  28          1HH1      ARG  28   2.091  -5.537  15.479
  231    H    ALA  29           H        ALA  29   4.638  -0.869   8.483
  232    HA   ALA  29           HA       ALA  29   3.361  -3.168   7.496
  233   1HB   ALA  29          2HB       ALA  29   2.375  -0.892   7.371
  234   2HB   ALA  29          3HB       ALA  29   3.507  -0.501   6.048
  235   3HB   ALA  29          1HB       ALA  29   2.283  -1.760   5.822
  236    H    GLN  30           H        GLN  30   6.133  -1.396   5.996
  237    HA   GLN  30           HA       GLN  30   6.469  -2.872   3.741
  238   1HB   GLN  30          1HB       GLN  30   8.000  -1.060   5.460
  239   2HB   GLN  30          2HB       GLN  30   9.071  -2.355   4.988
  240   1HG   GLN  30          1HG       GLN  30   9.311  -1.503   2.939
  241   2HG   GLN  30          2HG       GLN  30   7.565  -1.604   2.714
  242   1HE2  GLN  30          2HE2      GLN  30   9.379   1.984   3.727
  243   2HE2  GLN  30          1HE2      GLN  30  10.305   0.554   3.281
  244    H    GLU  31           H        GLU  31   7.777  -3.650   6.994
  245    HA   GLU  31           HA       GLU  31   9.145  -5.964   5.975
  246   1HB   GLU  31          1HB       GLU  31   8.977  -4.498   8.478
  247   2HB   GLU  31          2HB       GLU  31   8.432  -6.137   8.824
  248   1HG   GLU  31          1HG       GLU  31  10.550  -6.832   7.417
  249   2HG   GLU  31          2HG       GLU  31  11.088  -5.181   7.793
  250    H    ILE  32           H        ILE  32   6.189  -5.433   7.823
  251    HA   ILE  32           HA       ILE  32   5.189  -8.010   8.042
  252    HB   ILE  32           HB       ILE  32   4.105  -5.227   7.820
  253   1HG1  ILE  32          1HG1      ILE  32   4.147  -7.444   9.924
  254   2HG1  ILE  32          2HG1      ILE  32   5.064  -5.941   9.918
  255   1HG2  ILE  32          1HG2      ILE  32   2.294  -7.620   7.740
  256   2HG2  ILE  32          2HG2      ILE  32   1.782  -5.999   8.257
  257   3HG2  ILE  32          3HG2      ILE  32   2.370  -6.222   6.630
  258   1HD1  ILE  32          1HD1      ILE  32   2.836  -4.713  10.152
  259   2HD1  ILE  32          2HD1      ILE  32   2.087  -6.301  10.419
  260   3HD1  ILE  32          3HD1      ILE  32   3.343  -5.745  11.521
  261    H    LEU  33           H        LEU  33   4.747  -5.744   5.269
  262    HA   LEU  33           HA       LEU  33   3.179  -7.762   3.970
  263   1HB   LEU  33          1HB       LEU  33   4.154  -5.043   3.122
  264   2HB   LEU  33          2HB       LEU  33   3.821  -6.190   1.847
  265    HG   LEU  33           HG       LEU  33   1.770  -5.265   3.924
  266   1HD1  LEU  33          2HD1      LEU  33   1.995  -4.730   0.953
  267   2HD1  LEU  33          3HD1      LEU  33   0.680  -4.254   2.013
  268   3HD1  LEU  33          1HD1      LEU  33   2.299  -3.578   2.276
  269   1HD2  LEU  33          2HD2      LEU  33   1.567  -7.267   1.606
  270   2HD2  LEU  33          3HD2      LEU  33   1.193  -7.567   3.307
  271   3HD2  LEU  33          1HD2      LEU  33   0.160  -6.498   2.361
  272    H    SER  34           H        SER  34   6.646  -6.538   3.621
  273    HA   SER  34           HA       SER  34   7.257  -8.451   1.585
  274   1HB   SER  34          1HB       SER  34   8.974  -6.979   3.597
  275   2HB   SER  34          2HB       SER  34   9.653  -8.062   2.382
  276    HG   SER  34           HG       SER  34   9.552  -5.928   1.598
  277    H    GLN  35           H        GLN  35   6.789  -9.155   4.995
  278    HA   GLN  35           HA       GLN  35   8.437 -11.511   5.115
  279   1HB   GLN  35          1HB       GLN  35   5.967 -10.568   6.635
  280   2HB   GLN  35          2HB       GLN  35   6.718 -12.113   6.982
  281   1HG   GLN  35          1HG       GLN  35   8.786 -11.078   7.647
  282   2HG   GLN  35          2HG       GLN  35   8.233  -9.486   7.218
  283   1HE2  GLN  35          2HE2      GLN  35   7.716 -10.317  10.949
  284   2HE2  GLN  35          1HE2      GLN  35   9.129 -10.486   9.909
  285    H    LEU  36           H        LEU  36   5.208 -10.855   3.850
  286    HA   LEU  36           HA       LEU  36   4.375 -13.643   3.816
  287   1HB   LEU  36          1HB       LEU  36   3.177 -11.099   2.669
  288   2HB   LEU  36          2HB       LEU  36   2.394 -12.681   2.654
  289    HG   LEU  36           HG       LEU  36   3.059 -10.978   5.085
  290   1HD1  LEU  36          2HD1      LEU  36   1.134 -10.210   3.747
  291   2HD1  LEU  36          3HD1      LEU  36   0.390 -11.821   3.876
  292   3HD1  LEU  36          1HD1      LEU  36   0.623 -10.821   5.328
  293   1HD2  LEU  36          1HD2      LEU  36   1.836 -13.763   4.955
  294   2HD2  LEU  36          2HD2      LEU  36   3.323 -13.266   5.792
  295   3HD2  LEU  36          3HD2      LEU  36   1.760 -12.699   6.378
  296    HA   PRO  37           HA       PRO  37   6.486 -14.257  -0.069
  297   1HB   PRO  37          1HB       PRO  37   5.560 -16.736  -0.789
  298   2HB   PRO  37          2HB       PRO  37   6.663 -16.437   0.566
  299   1HG   PRO  37          1HG       PRO  37   3.676 -16.859   0.628
  300   2HG   PRO  37          2HG       PRO  37   4.915 -17.535   1.718
  301   1HD   PRO  37          1HD       PRO  37   3.410 -15.330   2.383
  302   2HD   PRO  37          2HD       PRO  37   5.084 -15.560   2.949
  303    H    ILE  38           H        ILE  38   4.898 -12.328  -0.680
  304    HA   ILE  38           HA       ILE  38   2.799 -12.911  -2.599
  305    HB   ILE  38           HB       ILE  38   4.503 -10.464  -1.803
  306   1HG1  ILE  38          1HG1      ILE  38   1.971  -9.535  -1.621
  307   2HG1  ILE  38          2HG1      ILE  38   1.588 -11.256  -1.469
  308   1HG2  ILE  38          2HG2      ILE  38   2.536 -10.461  -4.114
  309   2HG2  ILE  38          3HG2      ILE  38   3.167  -9.003  -3.324
  310   3HG2  ILE  38          1HG2      ILE  38   4.277 -10.066  -4.133
  311   1HD1  ILE  38          2HD1      ILE  38   3.708  -9.908   0.224
  312   2HD1  ILE  38          3HD1      ILE  38   1.997  -9.877   0.646
  313   3HD1  ILE  38          1HD1      ILE  38   2.842 -11.443   0.488
  314    H    LYS  39           H        LYS  39   2.954 -13.007  -4.902
  315    HA   LYS  39           HA       LYS  39   5.119 -13.906  -6.107
  316   1HB   LYS  39          1HB       LYS  39   2.692 -12.543  -7.057
  317   2HB   LYS  39          2HB       LYS  39   4.035 -12.604  -8.206
  318   1HG   LYS  39          1HG       LYS  39   3.089 -15.084  -6.723
  319   2HG   LYS  39          2HG       LYS  39   2.309 -14.522  -8.189
  320   1HD   LYS  39          1HD       LYS  39   5.277 -15.195  -7.959
  321   2HD   LYS  39          2HD       LYS  39   4.027 -16.343  -8.462
  322   1HE   LYS  39          1HE       LYS  39   3.435 -14.939 -10.386
  323   2HE   LYS  39          2HE       LYS  39   4.618 -13.712  -9.900
  324   1HZ   LYS  39          2HZ       LYS  39   5.298 -16.490 -10.640
  325   2HZ   LYS  39          3HZ       LYS  39   5.493 -15.178 -11.604
  326   3HZ   LYS  39          1HZ       LYS  39   6.371 -15.301 -10.249
  327    H    GLN  40           H        GLN  40   7.086 -13.129  -6.638
  328    HA   GLN  40           HA       GLN  40   8.085 -10.658  -5.888
  329   1HB   GLN  40          1HB       GLN  40   9.406 -12.707  -6.512
  330   2HB   GLN  40          2HB       GLN  40   9.050 -12.379  -8.214
  331   1HG   GLN  40          1HG       GLN  40  10.153 -10.069  -7.839
  332   2HG   GLN  40          2HG       GLN  40  10.728 -10.701  -6.300
  333   1HE2  GLN  40          2HE2      GLN  40  12.663 -13.303  -8.314
  334   2HE2  GLN  40          1HE2      GLN  40  11.500 -13.368  -6.998
  335    H    GLY  41           H        GLY  41   7.846  -8.604  -6.668
  336   1HA   GLY  41          1HA       GLY  41   7.969  -7.025  -8.434
  337   2HA   GLY  41          2HA       GLY  41   7.202  -8.167  -9.536
  338    H    LEU  42           H        LEU  42   5.125  -8.913  -7.223
  339    HA   LEU  42           HA       LEU  42   3.240  -6.951  -8.102
  340   1HB   LEU  42          1HB       LEU  42   3.029  -8.910  -5.822
  341   2HB   LEU  42          2HB       LEU  42   1.752  -7.943  -6.500
  342    HG   LEU  42           HG       LEU  42   3.047 -10.403  -7.590
  343   1HD1  LEU  42          3HD1      LEU  42   0.961 -10.375  -6.176
  344   2HD1  LEU  42          1HD1      LEU  42   0.152  -9.461  -7.459
  345   3HD1  LEU  42          2HD1      LEU  42   0.724 -11.109  -7.782
  346   1HD2  LEU  42          2HD2      LEU  42   1.484  -8.480  -9.322
  347   2HD2  LEU  42          3HD2      LEU  42   3.187  -8.962  -9.523
  348   3HD2  LEU  42          1HD2      LEU  42   1.910 -10.161  -9.725
  349    H    LEU  43           H        LEU  43   5.282  -7.319  -5.185
  350    HA   LEU  43           HA       LEU  43   3.627  -5.400  -3.696
  351   1HB   LEU  43          1HB       LEU  43   4.968  -7.573  -2.774
  352   2HB   LEU  43          2HB       LEU  43   6.200  -6.366  -2.558
  353    HG   LEU  43           HG       LEU  43   5.213  -6.244  -0.521
  354   1HD1  LEU  43          2HD1      LEU  43   4.962  -3.955  -1.474
  355   2HD1  LEU  43          3HD1      LEU  43   3.277  -4.322  -1.867
  356   3HD1  LEU  43          1HD1      LEU  43   3.832  -4.328  -0.186
  357   1HD2  LEU  43          1HD2      LEU  43   2.669  -7.082  -1.891
  358   2HD2  LEU  43          2HD2      LEU  43   3.623  -7.897  -0.655
  359   3HD2  LEU  43          3HD2      LEU  43   2.660  -6.490  -0.215
  360    H    GLU  44           H        GLU  44   3.921  -3.268  -4.385
  361    HA   GLU  44           HA       GLU  44   6.763  -2.372  -4.451
  362   1HB   GLU  44          1HB       GLU  44   5.867  -2.726  -6.732
  363   2HB   GLU  44          2HB       GLU  44   4.748  -1.367  -6.435
  364   1HG   GLU  44          1HG       GLU  44   6.598   0.104  -5.933
  365   2HG   GLU  44          2HG       GLU  44   7.743  -1.192  -5.822
  366    H    PHE  45           H        PHE  45   7.171  -1.102  -2.935
  367    HA   PHE  45           HA       PHE  45   5.160   0.564  -1.624
  368   1HB   PHE  45          1HB       PHE  45   8.141   0.232  -1.097
  369   2HB   PHE  45          2HB       PHE  45   6.983   1.054  -0.063
  370    HD1  PHE  45          2HD       PHE  45   5.067  -0.302   0.986
  371    HD2  PHE  45          1HD       PHE  45   8.456  -2.150  -0.938
  372    HE1  PHE  45          2HE       PHE  45   4.507  -2.464   2.069
  373    HE2  PHE  45          1HE       PHE  45   7.903  -4.296   0.167
  374    HZ   PHE  45           HZ       PHE  45   5.951  -4.466   1.668
  375    H    VAL  46           H        VAL  46   4.645   2.384  -2.697
  376    HA   VAL  46           HA       VAL  46   6.516   3.760  -4.515
  377    HB   VAL  46           HB       VAL  46   3.530   4.112  -4.036
  378   1HG1  VAL  46          2HG1      VAL  46   4.879   6.105  -4.919
  379   2HG1  VAL  46          3HG1      VAL  46   5.238   5.133  -6.352
  380   3HG1  VAL  46          1HG1      VAL  46   3.558   5.573  -5.921
  381   1HG2  VAL  46          1HG2      VAL  46   4.969   2.667  -6.311
  382   2HG2  VAL  46          2HG2      VAL  46   3.965   1.908  -5.062
  383   3HG2  VAL  46          3HG2      VAL  46   3.222   3.012  -6.217
  384    H    ASP  47           H        ASP  47   7.524   5.569  -3.668
  385    HA   ASP  47           HA       ASP  47   6.800   6.501  -1.008
  386   1HB   ASP  47          1HB       ASP  47   9.104   6.147  -2.050
  387   2HB   ASP  47          2HB       ASP  47   8.848   7.669  -2.883
  388    H    ILE  48           H        ILE  48   5.491   8.203  -0.507
  389    HA   ILE  48           HA       ILE  48   4.165   9.821  -2.517
  390    HB   ILE  48           HB       ILE  48   3.323  11.166  -0.714
  391   1HG1  ILE  48          1HG1      ILE  48   5.123   9.652   1.209
  392   2HG1  ILE  48          2HG1      ILE  48   5.285  11.330   0.739
  393   1HG2  ILE  48          1HG2      ILE  48   2.400   8.809  -1.246
  394   2HG2  ILE  48          2HG2      ILE  48   3.163   8.276   0.245
  395   3HG2  ILE  48          3HG2      ILE  48   1.909   9.525   0.297
  396   1HD1  ILE  48          2HD1      ILE  48   3.062  11.837   1.726
  397   2HD1  ILE  48          3HD1      ILE  48   2.976  10.162   2.325
  398   3HD1  ILE  48          1HD1      ILE  48   4.252  11.242   2.900
  399    H    THR  49           H        THR  49   7.260   9.986  -0.956
  400    HA   THR  49           HA       THR  49   7.803  12.624  -2.143
  401    HB   THR  49           HB       THR  49   7.072  12.806   0.194
  402    HG1  THR  49           HG1      THR  49   9.675  13.610  -0.453
  403   1HG2  THR  49          3HG2      THR  49   7.882  10.772   1.203
  404   2HG2  THR  49          1HG2      THR  49   9.560  11.316   1.024
  405   3HG2  THR  49          2HG2      THR  49   8.440  12.205   2.078
  406    H    ALA  50           H        ALA  50   8.214  10.372  -3.446
  407    HA   ALA  50           HA       ALA  50  10.829   9.223  -3.324
  408   1HB   ALA  50          2HB       ALA  50   9.014   8.413  -4.894
  409   2HB   ALA  50          3HB       ALA  50   9.178   9.925  -5.799
  410   3HB   ALA  50          1HB       ALA  50  10.539   8.797  -5.706
  411    H    THR  51           H        THR  51   9.404  12.058  -4.882
  412    HA   THR  51           HA       THR  51  12.005  13.501  -4.885
  413    HB   THR  51           HB       THR  51  11.370  14.295  -7.174
  414    HG1  THR  51           HG1      THR  51   9.421  13.929  -7.708
  415   1HG2  THR  51          3HG2      THR  51  12.967  12.447  -6.940
  416   2HG2  THR  51          1HG2      THR  51  11.633  11.274  -7.040
  417   3HG2  THR  51          2HG2      THR  51  12.000  12.326  -8.416
  418    H    ASN  52           H        ASN  52   8.462  13.814  -5.386
  419    HA   ASN  52           HA       ASN  52   8.163  16.136  -3.707
  420   1HB   ASN  52          1HB       ASN  52   7.577  17.725  -5.556
  421   2HB   ASN  52          2HB       ASN  52   9.259  17.282  -5.519
  422   1HD2  ASN  52          2HD2      ASN  52   7.228  16.669  -8.929
  423   2HD2  ASN  52          1HD2      ASN  52   6.448  17.391  -7.530
  424    H    HIS  53           H        HIS  53   5.769  17.109  -5.124
  425    HA   HIS  53           HA       HIS  53   3.590  16.820  -5.139
  426   1HB   HIS  53          1HB       HIS  53   4.446  14.221  -6.395
  427   2HB   HIS  53          2HB       HIS  53   2.759  14.496  -6.057
  428    HD1  HIS  53          1HD       HIS  53   1.568  16.774  -7.345
  429    HD2  HIS  53          2HD       HIS  53   5.206  15.090  -8.709
  430    HE1  HIS  53          1HE       HIS  53   1.859  17.560  -9.654
  431    H    THR  54           H        THR  54   5.161  14.996  -2.730
  432    HA   THR  54           HA       THR  54   3.407  13.339  -1.647
  433    HB   THR  54           HB       THR  54   5.045  13.390  -0.240
  434    HG1  THR  54           HG1      THR  54   3.325  15.195   1.067
  435   1HG2  THR  54          2HG2      THR  54   5.277  16.361  -0.344
  436   2HG2  THR  54          3HG2      THR  54   6.324  15.268   0.603
  437   3HG2  THR  54          1HG2      THR  54   6.314  15.149  -1.163
  438    H    ASN  55           H        ASN  55   3.222  16.680  -0.752
  439    HA   ASN  55           HA       ASN  55   0.784  16.692   0.628
  440   1HB   ASN  55          1HB       ASN  55   2.372  18.627   0.363
  441   2HB   ASN  55          2HB       ASN  55   1.629  18.954  -1.210
  442   1HD2  ASN  55          2HD2      ASN  55  -0.197  21.241   0.941
  443   2HD2  ASN  55          1HD2      ASN  55   1.335  21.103   0.144
  444    H    GLU  56           H        GLU  56   1.062  17.202  -2.945
  445    HA   GLU  56           HA       GLU  56  -1.684  17.240  -3.501
  446   1HB   GLU  56          1HB       GLU  56   0.841  17.423  -4.869
  447   2HB   GLU  56          2HB       GLU  56   0.029  16.084  -5.616
  448   1HG   GLU  56          1HG       GLU  56  -1.923  18.178  -5.369
  449   2HG   GLU  56          2HG       GLU  56  -0.425  18.925  -5.923
  450    H    ILE  57           H        ILE  57   0.510  14.566  -3.007
  451    HA   ILE  57           HA       ILE  57  -1.202  12.476  -4.145
  452    HB   ILE  57           HB       ILE  57   1.508  12.708  -2.801
  453   1HG1  ILE  57          1HG1      ILE  57   0.709  11.241  -5.342
  454   2HG1  ILE  57          2HG1      ILE  57   1.060  12.966  -5.298
  455   1HG2  ILE  57          2HG2      ILE  57  -0.001  10.097  -3.100
  456   2HG2  ILE  57          3HG2      ILE  57   1.750  10.212  -2.894
  457   3HG2  ILE  57          1HG2      ILE  57   0.677  10.798  -1.622
  458   1HD1  ILE  57          1HD1      ILE  57   3.329  12.519  -4.413
  459   2HD1  ILE  57          2HD1      ILE  57   3.035  10.785  -4.592
  460   3HD1  ILE  57          3HD1      ILE  57   3.039  11.827  -6.020
  461    H    GLN  58           H        GLN  58  -0.483  13.912  -1.037
  462    HA   GLN  58           HA       GLN  58  -1.711  11.964   0.673
  463   1HB   GLN  58          1HB       GLN  58  -0.556  14.777   0.830
  464   2HB   GLN  58          2HB       GLN  58  -1.614  14.251   2.109
  465   1HG   GLN  58          1HG       GLN  58   0.793  12.609   1.275
  466   2HG   GLN  58          2HG       GLN  58   0.871  13.881   2.488
  467   1HE2  GLN  58          2HE2      GLN  58  -0.859  10.344   3.471
  468   2HE2  GLN  58          1HE2      GLN  58   0.216  10.542   2.108
  469    H    ASP  59           H        ASP  59  -2.675  15.216  -0.491
  470    HA   ASP  59           HA       ASP  59  -5.358  15.447   0.246
  471   1HB   ASP  59          1HB       ASP  59  -3.915  17.022  -1.090
  472   2HB   ASP  59          2HB       ASP  59  -4.051  16.005  -2.468
  473    H    TYR  60           H        TYR  60  -4.050  14.113  -2.634
  474    HA   TYR  60           HA       TYR  60  -6.380  12.987  -3.725
  475   1HB   TYR  60          1HB       TYR  60  -4.157  13.283  -4.850
  476   2HB   TYR  60          2HB       TYR  60  -3.648  11.738  -4.179
  477    HD1  TYR  60          2HD       TYR  60  -6.285  13.410  -6.239
  478    HD2  TYR  60          1HD       TYR  60  -4.400   9.680  -5.199
  479    HE1  TYR  60          2HE       TYR  60  -7.605  12.287  -7.963
  480    HE2  TYR  60          1HE       TYR  60  -5.717   8.526  -6.971
  481    HH   TYR  60           HH       TYR  60  -8.323  10.205  -8.712
  482    H    LEU  61           H        LEU  61  -4.050  11.273  -1.577
  483    HA   LEU  61           HA       LEU  61  -5.368   8.740  -1.637
  484   1HB   LEU  61          1HB       LEU  61  -3.637  10.140   0.422
  485   2HB   LEU  61          2HB       LEU  61  -4.363   8.592   0.787
  486    HG   LEU  61           HG       LEU  61  -2.565   9.052  -1.633
  487   1HD1  LEU  61          3HD1      LEU  61  -1.871   8.237   1.219
  488   2HD1  LEU  61          1HD1      LEU  61  -0.819   7.909  -0.187
  489   3HD1  LEU  61          2HD1      LEU  61  -1.233   9.567   0.255
  490   1HD2  LEU  61          3HD2      LEU  61  -3.811   6.618  -0.336
  491   2HD2  LEU  61          1HD2      LEU  61  -3.856   7.146  -2.018
  492   3HD2  LEU  61          2HD2      LEU  61  -2.346   6.516  -1.358
  493    H    GLN  62           H        GLN  62  -5.929  11.655   0.318
  494    HA   GLN  62           HA       GLN  62  -7.978  10.651   1.997
  495   1HB   GLN  62          1HB       GLN  62  -6.630  12.991   1.776
  496   2HB   GLN  62          2HB       GLN  62  -8.109  13.488   0.988
  497   1HG   GLN  62          1HG       GLN  62  -9.400  13.266   2.916
  498   2HG   GLN  62          2HG       GLN  62  -8.289  12.106   3.657
  499   1HE2  GLN  62          2HE2      GLN  62  -7.141  14.777   5.689
  500   2HE2  GLN  62          1HE2      GLN  62  -8.111  13.331   5.634
  501    H    GLN  63           H        GLN  63  -8.162  12.294  -1.177
  502    HA   GLN  63           HA       GLN  63 -10.946  12.106  -1.507
  503   1HB   GLN  63          1HB       GLN  63  -8.896  13.305  -2.824
  504   2HB   GLN  63          2HB       GLN  63  -9.157  11.980  -3.932
  505   1HG   GLN  63          1HG       GLN  63 -11.405  12.659  -4.393
  506   2HG   GLN  63          2HG       GLN  63 -11.485  13.695  -2.964
  507   1HE2  GLN  63          2HE2      GLN  63  -9.566  16.417  -4.375
  508   2HE2  GLN  63          1HE2      GLN  63  -9.863  15.531  -2.886
  509    H    LEU  64           H        LEU  64  -8.401   9.894  -2.618
  510    HA   LEU  64           HA       LEU  64 -10.210   8.214  -4.097
  511   1HB   LEU  64          1HB       LEU  64  -8.019   8.341  -4.915
  512   2HB   LEU  64          2HB       LEU  64  -7.319   8.155  -3.318
  513    HG   LEU  64           HG       LEU  64  -7.924   5.749  -3.280
  514   1HD1  LEU  64          2HD1      LEU  64  -9.809   5.796  -4.930
  515   2HD1  LEU  64          3HD1      LEU  64  -8.658   6.208  -6.212
  516   3HD1  LEU  64          1HD1      LEU  64  -8.541   4.640  -5.381
  517   1HD2  LEU  64          1HD2      LEU  64  -5.693   6.552  -3.991
  518   2HD2  LEU  64          2HD2      LEU  64  -6.176   5.108  -4.901
  519   3HD2  LEU  64          3HD2      LEU  64  -6.278   6.700  -5.662
  520    H    THR  65           H        THR  65  -8.818   7.967  -0.781
  521    HA   THR  65           HA       THR  65 -10.223   5.347  -0.523
  522    HB   THR  65           HB       THR  65  -8.650   4.756   1.158
  523    HG1  THR  65           HG1      THR  65  -7.484   7.338   0.755
  524   1HG2  THR  65          2HG2      THR  65  -8.001   4.407  -1.222
  525   2HG2  THR  65          3HG2      THR  65  -7.091   5.944  -1.156
  526   3HG2  THR  65          1HG2      THR  65  -6.628   4.585  -0.117
  527    H    GLY  66           H        GLY  66 -10.097   8.564   0.987
  528   1HA   GLY  66          1HA       GLY  66 -11.895   9.307   2.325
  529   2HA   GLY  66          2HA       GLY  66 -12.083   7.690   3.014
  530    H    ALA  67           H        ALA  67  -8.738   8.066   2.857
  531    HA   ALA  67           HA       ALA  67  -8.472  10.010   4.997
  532   1HB   ALA  67          3HB       ALA  67  -8.876   7.912   6.266
  533   2HB   ALA  67          1HB       ALA  67  -7.535   7.138   5.391
  534   3HB   ALA  67          2HB       ALA  67  -7.212   8.503   6.477
  535    H    ARG  68           H        ARG  68  -6.347  10.814   5.100
  536    HA   ARG  68           HA       ARG  68  -4.748  10.288   2.642
  537   1HB   ARG  68          1HB       ARG  68  -3.501  12.237   3.134
  538   2HB   ARG  68          2HB       ARG  68  -5.201  12.625   3.344
  539   1HG   ARG  68          1HG       ARG  68  -4.810  12.275   5.869
  540   2HG   ARG  68          2HG       ARG  68  -3.084  12.269   5.496
  541   1HD   ARG  68          1HD       ARG  68  -5.091  14.488   4.910
  542   2HD   ARG  68          2HD       ARG  68  -3.876  14.503   6.169
  543    HE   ARG  68           HE       ARG  68  -2.172  14.380   4.307
  544   1HH1  ARG  68          2HH2      ARG  68  -5.365  15.759   3.455
  545   2HH1  ARG  68          1HH2      ARG  68  -4.742  17.227   2.835
  546   1HH2  ARG  68          2HH1      ARG  68  -1.319  16.331   3.408
  547   2HH2  ARG  68          1HH1      ARG  68  -2.359  17.446   2.578
  548    H    THR  69           H        THR  69  -4.784   9.188   5.951
  549    HA   THR  69           HA       THR  69  -2.068   9.530   6.506
  550    HB   THR  69           HB       THR  69  -2.612   7.787   8.320
  551    HG1  THR  69           HG1      THR  69  -4.282   6.669   7.537
  552   1HG2  THR  69          2HG2      THR  69  -2.813  10.234   8.656
  553   2HG2  THR  69          3HG2      THR  69  -4.475  10.199   8.027
  554   3HG2  THR  69          1HG2      THR  69  -4.073   9.354   9.535
  555    H    VAL  70           H        VAL  70  -0.290   8.344   6.244
  556    HA   VAL  70           HA       VAL  70  -0.456   6.117   4.351
  557    HB   VAL  70           HB       VAL  70   2.187   6.463   4.596
  558   1HG1  VAL  70          2HG1      VAL  70   0.327   8.263   3.004
  559   2HG1  VAL  70          3HG1      VAL  70   2.055   7.978   2.661
  560   3HG1  VAL  70          1HG1      VAL  70   0.896   6.654   2.532
  561   1HG2  VAL  70          3HG2      VAL  70   1.973   8.243   6.368
  562   2HG2  VAL  70          1HG2      VAL  70   2.883   8.722   4.931
  563   3HG2  VAL  70          2HG2      VAL  70   1.220   9.300   5.147
  564    HA   PRO  71           HA       PRO  71   1.421   4.546   3.805
  565   1HB   PRO  71          1HB       PRO  71   1.386   1.827   3.687
  566   2HB   PRO  71          2HB       PRO  71   2.756   2.727   4.391
  567   1HG   PRO  71          1HG       PRO  71   0.458   1.433   5.814
  568   2HG   PRO  71          2HG       PRO  71   2.187   1.335   6.228
  569   1HD   PRO  71          1HD       PRO  71   0.482   3.073   7.492
  570   2HD   PRO  71          2HD       PRO  71   2.196   3.474   7.195
  571    H    ARG  72           H        ARG  72   0.090   3.559   2.010
  572    HA   ARG  72           HA       ARG  72  -2.693   2.753   2.816
  573   1HB   ARG  72          1HB       ARG  72  -1.925   4.612   0.532
  574   2HB   ARG  72          2HB       ARG  72  -3.512   3.887   0.723
  575   1HG   ARG  72          1HG       ARG  72  -2.463   5.503   3.039
  576   2HG   ARG  72          2HG       ARG  72  -2.812   6.353   1.580
  577   1HD   ARG  72          1HD       ARG  72  -4.850   6.612   2.451
  578   2HD   ARG  72          2HD       ARG  72  -5.155   5.029   1.725
  579    HE   ARG  72           HE       ARG  72  -4.027   4.980   4.398
  580   1HH1  ARG  72          2HH2      ARG  72  -7.123   5.600   2.786
  581   2HH1  ARG  72          1HH2      ARG  72  -8.111   4.914   4.028
  582   1HH2  ARG  72          2HH1      ARG  72  -5.291   4.021   6.035
  583   2HH2  ARG  72          1HH1      ARG  72  -7.033   4.044   6.020
  584    H    VAL  73           H        VAL  73  -2.356   0.588   2.529
  585    HA   VAL  73           HA       VAL  73  -0.882  -0.447   0.191
  586    HB   VAL  73           HB       VAL  73  -2.541  -1.699   2.405
  587   1HG1  VAL  73          1HG1      VAL  73  -1.025  -3.153   0.173
  588   2HG1  VAL  73          2HG1      VAL  73  -1.763  -3.921   1.592
  589   3HG1  VAL  73          3HG1      VAL  73  -2.771  -3.116   0.404
  590   1HG2  VAL  73          1HG2      VAL  73  -0.352  -0.928   3.223
  591   2HG2  VAL  73          2HG2      VAL  73  -0.449  -2.687   3.192
  592   3HG2  VAL  73          3HG2      VAL  73   0.455  -1.867   1.941
  593    H    PHE  74           H        PHE  74  -1.876  -0.832  -1.746
  594    HA   PHE  74           HA       PHE  74  -4.812  -1.122  -1.848
  595   1HB   PHE  74          1HB       PHE  74  -2.861  -0.137  -3.960
  596   2HB   PHE  74          2HB       PHE  74  -4.514  -0.621  -4.277
  597    HD1  PHE  74          2HD       PHE  74  -2.460   1.799  -2.287
  598    HD2  PHE  74          1HD       PHE  74  -6.331   0.899  -3.977
  599    HE1  PHE  74          2HE       PHE  74  -3.265   4.095  -1.727
  600    HE2  PHE  74          1HE       PHE  74  -7.087   3.186  -3.463
  601    HZ   PHE  74           HZ       PHE  74  -5.524   4.799  -2.364
  602    H    ILE  75           H        ILE  75  -5.177  -3.231  -1.780
  603    HA   ILE  75           HA       ILE  75  -3.376  -5.161  -3.149
  604    HB   ILE  75           HB       ILE  75  -5.122  -5.316  -0.776
  605   1HG1  ILE  75          1HG1      ILE  75  -3.772  -7.480  -0.511
  606   2HG1  ILE  75          2HG1      ILE  75  -2.925  -6.989  -2.001
  607   1HG2  ILE  75          3HG2      ILE  75  -5.442  -7.412  -2.975
  608   2HG2  ILE  75          1HG2      ILE  75  -5.824  -7.708  -1.282
  609   3HG2  ILE  75          2HG2      ILE  75  -6.724  -6.485  -2.170
  610   1HD1  ILE  75          2HD1      ILE  75  -2.285  -4.917  -0.813
  611   2HD1  ILE  75          3HD1      ILE  75  -2.991  -5.608   0.674
  612   3HD1  ILE  75          1HD1      ILE  75  -1.609  -6.389  -0.100
  613    H    GLY  76           H        GLY  76  -3.745  -4.966  -5.269
  614   1HA   GLY  76          1HA       GLY  76  -4.788  -4.771  -7.269
  615   2HA   GLY  76          2HA       GLY  76  -5.911  -5.947  -6.585
  616    H    LYS  77           H        LYS  77  -5.317  -2.357  -6.738
  617    HA   LYS  77           HA       LYS  77  -6.555  -0.634  -6.356
  618   1HB   LYS  77          1HB       LYS  77  -7.029  -1.720  -8.765
  619   2HB   LYS  77          2HB       LYS  77  -8.665  -1.854  -8.099
  620   1HG   LYS  77          1HG       LYS  77  -8.155   0.649  -7.313
  621   2HG   LYS  77          2HG       LYS  77  -6.927   0.577  -8.571
  622   1HD   LYS  77          1HD       LYS  77  -8.495   0.320 -10.295
  623   2HD   LYS  77          2HD       LYS  77  -9.789  -0.238  -9.233
  624   1HE   LYS  77          1HE       LYS  77  -8.708   2.583  -8.974
  625   2HE   LYS  77          2HE       LYS  77  -9.838   2.164 -10.261
  626   1HZ   LYS  77          1HZ       LYS  77 -11.416   1.424  -8.572
  627   2HZ   LYS  77          2HZ       LYS  77 -10.421   1.949  -7.360
  628   3HZ   LYS  77          3HZ       LYS  77 -11.045   2.999  -8.431
  629    H    ASP  78           H        ASP  78  -7.216  -2.737  -4.227
  630    HA   ASP  78           HA       ASP  78  -9.395  -0.931  -3.331
  631   1HB   ASP  78          1HB       ASP  78 -10.356  -3.216  -3.644
  632   2HB   ASP  78          2HB       ASP  78  -9.187  -3.825  -2.458
  633    H    CYS  79           H        CYS  79  -8.865   0.161  -1.526
  634    HA   CYS  79           HA       CYS  79  -6.175  -0.238  -0.482
  635   1HB   CYS  79          1HB       CYS  79  -7.168   2.049  -0.861
  636   2HB   CYS  79          2HB       CYS  79  -8.260   1.744   0.503
  637    HG   CYS  79           HG       CYS  79  -4.989   1.297   0.607
  638    H    ILE  80           H        ILE  80  -5.687  -1.310   1.588
  639    HA   ILE  80           HA       ILE  80  -8.018  -2.295   3.078
  640    HB   ILE  80           HB       ILE  80  -6.644  -4.143   3.576
  641   1HG1  ILE  80          1HG1      ILE  80  -4.614  -4.674   2.195
  642   2HG1  ILE  80          2HG1      ILE  80  -4.548  -2.971   1.731
  643   1HG2  ILE  80          3HG2      ILE  80  -8.119  -4.180   1.593
  644   2HG2  ILE  80          1HG2      ILE  80  -6.754  -3.715   0.568
  645   3HG2  ILE  80          2HG2      ILE  80  -6.732  -5.263   1.428
  646   1HD1  ILE  80          1HD1      ILE  80  -4.504  -3.936   4.618
  647   2HD1  ILE  80          2HD1      ILE  80  -3.053  -3.718   3.634
  648   3HD1  ILE  80          3HD1      ILE  80  -4.083  -2.323   4.014
  649    H    GLY  81           H        GLY  81  -6.272   0.319   3.265
  650   1HA   GLY  81          1HA       GLY  81  -5.936   1.678   5.138
  651   2HA   GLY  81          2HA       GLY  81  -6.061   0.275   6.212
  652    H    GLY  82           H        GLY  82  -4.085   0.722   7.266
  653   1HA   GLY  82          1HA       GLY  82  -1.647  -0.206   5.988
  654   2HA   GLY  82          2HA       GLY  82  -1.750   1.543   5.982
  655    H    CYS  83           H        CYS  83  -3.248   0.876   9.036
  656    HA   CYS  83           HA       CYS  83  -1.064   0.036  10.415
  657   1HB   CYS  83          1HB       CYS  83  -0.473   1.980  11.605
  658   2HB   CYS  83          2HB       CYS  83  -0.548   2.595   9.968
  659    HG   CYS  83           HG       CYS  83  -1.472   4.259  11.865
  660    H    SER  84           H        SER  84  -1.997  -0.396  12.535
  661    HA   SER  84           HA       SER  84  -3.506  -1.440  13.577
  662   1HB   SER  84          1HB       SER  84  -4.484   0.789  14.025
  663   2HB   SER  84          2HB       SER  84  -5.561   0.601  12.633
  664    HG   SER  84           HG       SER  84  -6.762  -0.771  13.668
  665    H    ASP  85           H        ASP  85  -5.580  -0.659  10.773
  666    HA   ASP  85           HA       ASP  85  -6.872  -3.136  10.582
  667   1HB   ASP  85          1HB       ASP  85  -6.372  -0.814   8.760
  668   2HB   ASP  85          2HB       ASP  85  -6.694  -2.323   7.939
  669    H    LEU  86           H        LEU  86  -4.043  -2.009   8.913
  670    HA   LEU  86           HA       LEU  86  -3.281  -4.120   7.334
  671   1HB   LEU  86          1HB       LEU  86  -2.371  -1.765   7.626
  672   2HB   LEU  86          2HB       LEU  86  -1.428  -2.327   8.982
  673    HG   LEU  86           HG       LEU  86  -0.171  -2.030   6.886
  674   1HD1  LEU  86          1HD1      LEU  86   0.595  -3.655   8.610
  675   2HD1  LEU  86          2HD1      LEU  86  -0.158  -4.952   7.645
  676   3HD1  LEU  86          3HD1      LEU  86   1.156  -3.986   6.963
  677   1HD2  LEU  86          3HD2      LEU  86  -1.809  -4.350   5.790
  678   2HD2  LEU  86          1HD2      LEU  86  -1.809  -2.650   5.232
  679   3HD2  LEU  86          2HD2      LEU  86  -0.356  -3.672   5.070
  680    H    VAL  87           H        VAL  87  -2.578  -3.745  10.911
  681    HA   VAL  87           HA       VAL  87  -0.866  -6.001  11.028
  682    HB   VAL  87           HB       VAL  87  -2.290  -4.196  13.055
  683   1HG1  VAL  87          1HG1      VAL  87  -0.290  -6.407  13.473
  684   2HG1  VAL  87          2HG1      VAL  87  -0.700  -5.157  14.686
  685   3HG1  VAL  87          3HG1      VAL  87  -1.938  -6.295  14.120
  686   1HG2  VAL  87          1HG2      VAL  87   0.578  -4.326  12.039
  687   2HG2  VAL  87          2HG2      VAL  87  -0.589  -3.018  11.749
  688   3HG2  VAL  87          3HG2      VAL  87   0.009  -3.310  13.380
  689    H    SER  88           H        SER  88  -4.405  -5.368  11.831
  690    HA   SER  88           HA       SER  88  -4.897  -8.025  12.791
  691   1HB   SER  88          1HB       SER  88  -6.616  -5.832  11.730
  692   2HB   SER  88          2HB       SER  88  -7.159  -7.441  11.249
  693    HG   SER  88           HG       SER  88  -8.084  -7.300  13.108
  694    H    LEU  89           H        LEU  89  -5.006  -6.619   9.492
  695    HA   LEU  89           HA       LEU  89  -6.031  -8.966   8.294
  696   1HB   LEU  89          1HB       LEU  89  -4.338  -6.759   7.088
  697   2HB   LEU  89          2HB       LEU  89  -5.248  -7.944   6.161
  698    HG   LEU  89           HG       LEU  89  -6.714  -6.132   8.090
  699   1HD1  LEU  89          2HD1      LEU  89  -6.046  -5.641   5.171
  700   2HD1  LEU  89          3HD1      LEU  89  -7.171  -4.668   6.149
  701   3HD1  LEU  89          1HD1      LEU  89  -5.459  -4.691   6.561
  702   1HD2  LEU  89          1HD2      LEU  89  -7.549  -7.738   5.668
  703   2HD2  LEU  89          2HD2      LEU  89  -8.040  -7.962   7.378
  704   3HD2  LEU  89          3HD2      LEU  89  -8.569  -6.547   6.480
  705    H    GLN  90           H        GLN  90  -2.612  -8.074   9.096
  706    HA   GLN  90           HA       GLN  90  -1.571 -10.461   7.828
  707   1HB   GLN  90          1HB       GLN  90  -0.125  -8.475   8.430
  708   2HB   GLN  90          2HB       GLN  90  -0.365  -8.859  10.135
  709   1HG   GLN  90          1HG       GLN  90   0.591 -11.196   9.641
  710   2HG   GLN  90          2HG       GLN  90   1.002 -10.596   8.040
  711   1HE2  GLN  90          2HE2      GLN  90   4.204  -9.757   9.308
  712   2HE2  GLN  90          1HE2      GLN  90   3.236 -10.278   7.986
  713    H    GLN  91           H        GLN  91  -2.327  -9.632  11.293
  714    HA   GLN  91           HA       GLN  91  -1.452 -12.034  12.370
  715   1HB   GLN  91          1HB       GLN  91  -2.492  -9.490  13.204
  716   2HB   GLN  91          2HB       GLN  91  -3.536 -10.651  13.926
  717   1HG   GLN  91          1HG       GLN  91  -0.717 -11.395  14.288
  718   2HG   GLN  91          2HG       GLN  91  -1.002  -9.733  14.758
  719   1HE2  GLN  91          2HE2      GLN  91  -2.132 -12.640  17.304
  720   2HE2  GLN  91          1HE2      GLN  91  -1.141 -12.918  15.882
  721    H    SER  92           H        SER  92  -4.788 -10.946  11.763
  722    HA   SER  92           HA       SER  92  -6.123 -13.421  12.412
  723   1HB   SER  92          1HB       SER  92  -7.068 -11.123  12.701
  724   2HB   SER  92          2HB       SER  92  -7.025 -10.899  10.946
  725    HG   SER  92           HG       SER  92  -8.610 -12.219  10.640
  726    H    GLY  93           H        GLY  93  -4.373 -12.201   9.655
  727   1HA   GLY  93          1HA       GLY  93  -3.661 -13.479   7.895
  728   2HA   GLY  93          2HA       GLY  93  -4.868 -14.708   8.279
  729    H    GLU  94           H        GLU  94  -6.583 -11.669   8.070
  730    HA   GLU  94           HA       GLU  94  -7.925 -12.571   5.783
  731   1HB   GLU  94          1HB       GLU  94  -7.774 -10.160   7.569
  732   2HB   GLU  94          2HB       GLU  94  -8.296  -9.855   5.933
  733   1HG   GLU  94          1HG       GLU  94 -10.287 -10.209   6.991
  734   2HG   GLU  94          2HG       GLU  94  -9.968 -11.741   6.185
  735    H    LEU  95           H        LEU  95  -5.076 -10.536   6.155
  736    HA   LEU  95           HA       LEU  95  -5.023  -9.225   3.639
  737   1HB   LEU  95          1HB       LEU  95  -3.452  -8.950   5.771
  738   2HB   LEU  95          2HB       LEU  95  -2.520 -10.221   5.068
  739    HG   LEU  95           HG       LEU  95  -1.948  -8.825   3.165
  740   1HD1  LEU  95          3HD1      LEU  95  -3.887  -6.762   4.308
  741   2HD1  LEU  95          1HD1      LEU  95  -2.684  -6.430   3.046
  742   3HD1  LEU  95          2HD1      LEU  95  -3.986  -7.566   2.719
  743   1HD2  LEU  95          1HD2      LEU  95  -1.810  -7.330   5.835
  744   2HD2  LEU  95          2HD2      LEU  95  -0.644  -8.521   5.223
  745   3HD2  LEU  95          3HD2      LEU  95  -0.822  -6.951   4.425
  746    H    LEU  96           H        LEU  96  -4.092 -12.458   4.688
  747    HA   LEU  96           HA       LEU  96  -2.375 -13.087   2.494
  748   1HB   LEU  96          1HB       LEU  96  -2.645 -14.124   4.924
  749   2HB   LEU  96          2HB       LEU  96  -3.927 -15.076   4.213
  750    HG   LEU  96           HG       LEU  96  -1.953 -16.386   4.289
  751   1HD1  LEU  96          1HD1      LEU  96  -3.315 -16.624   2.222
  752   2HD1  LEU  96          2HD1      LEU  96  -2.229 -15.502   1.400
  753   3HD1  LEU  96          3HD1      LEU  96  -1.601 -17.035   2.005
  754   1HD2  LEU  96          3HD2      LEU  96  -0.308 -14.593   4.502
  755   2HD2  LEU  96          1HD2      LEU  96   0.179 -15.773   3.274
  756   3HD2  LEU  96          2HD2      LEU  96  -0.473 -14.196   2.779
  757    H    THR  97           H        THR  97  -5.773 -14.115   3.271
  758    HA   THR  97           HA       THR  97  -6.317 -15.252   0.758
  759    HB   THR  97           HB       THR  97  -8.237 -13.816   2.648
  760    HG1  THR  97           HG1      THR  97  -8.253 -15.955   3.690
  761   1HG2  THR  97          3HG2      THR  97  -9.280 -14.720   0.570
  762   2HG2  THR  97          1HG2      THR  97  -8.590 -16.317   0.926
  763   3HG2  THR  97          2HG2      THR  97  -9.816 -15.614   2.002
  764    H    ARG  98           H        ARG  98  -6.714 -11.853   1.902
  765    HA   ARG  98           HA       ARG  98  -7.983 -10.830  -0.437
  766   1HB   ARG  98          1HB       ARG  98  -6.627  -9.791   1.970
  767   2HB   ARG  98          2HB       ARG  98  -6.279  -8.788   0.607
  768   1HG   ARG  98          1HG       ARG  98  -9.146  -9.607   0.962
  769   2HG   ARG  98          2HG       ARG  98  -8.467  -8.520   2.176
  770   1HD   ARG  98          1HD       ARG  98  -8.195  -6.758   0.716
  771   2HD   ARG  98          2HD       ARG  98  -7.943  -7.796  -0.675
  772    HE   ARG  98           HE       ARG  98  -9.984  -7.103  -1.213
  773   1HH1  ARG  98          2HH2      ARG  98 -10.255  -7.970   2.223
  774   2HH1  ARG  98          1HH2      ARG  98 -11.968  -7.941   2.286
  775   1HH2  ARG  98          2HH1      ARG  98 -12.243  -6.753  -1.071
  776   2HH2  ARG  98          1HH1      ARG  98 -13.128  -7.237   0.342
  777    H    LEU  99           H        LEU  99  -4.524 -11.247   0.315
  778    HA   LEU  99           HA       LEU  99  -3.573 -10.101  -2.160
  779   1HB   LEU  99          1HB       LEU  99  -2.505 -11.919   0.032
  780   2HB   LEU  99          2HB       LEU  99  -1.534 -11.549  -1.376
  781    HG   LEU  99           HG       LEU  99  -2.552  -9.323   0.390
  782   1HD1  LEU  99          1HD1      LEU  99  -0.011 -11.005   0.665
  783   2HD1  LEU  99          2HD1      LEU  99  -0.301  -9.457   1.498
  784   3HD1  LEU  99          3HD1      LEU  99  -1.311 -10.865   1.853
  785   1HD2  LEU  99          3HD2      LEU  99  -0.244  -9.715  -1.562
  786   2HD2  LEU  99          1HD2      LEU  99  -1.694  -8.771  -1.846
  787   3HD2  LEU  99          2HD2      LEU  99  -0.522  -8.253  -0.605
  788    H    LYS 100           H        LYS 100  -4.027 -13.541  -1.086
  789    HA   LYS 100           HA       LYS 100  -3.397 -14.637  -3.644
  790   1HB   LYS 100          1HB       LYS 100  -5.105 -15.595  -1.312
  791   2HB   LYS 100          2HB       LYS 100  -5.080 -16.494  -2.814
  792   1HG   LYS 100          1HG       LYS 100  -2.389 -16.032  -2.533
  793   2HG   LYS 100          2HG       LYS 100  -2.887 -15.973  -0.854
  794   1HD   LYS 100          1HD       LYS 100  -2.326 -18.204  -1.081
  795   2HD   LYS 100          2HD       LYS 100  -4.065 -18.302  -1.403
  796   1HE   LYS 100          1HE       LYS 100  -3.592 -18.256  -3.846
  797   2HE   LYS 100          2HE       LYS 100  -1.876 -18.010  -3.524
  798   1HZ   LYS 100          1HZ       LYS 100  -1.820 -20.194  -2.471
  799   2HZ   LYS 100          2HZ       LYS 100  -3.416 -20.426  -2.853
  800   3HZ   LYS 100          3HZ       LYS 100  -2.269 -20.267  -4.039
  801    H    GLN 101           H        GLN 101  -6.450 -13.208  -2.570
  802    HA   GLN 101           HA       GLN 101  -8.040 -13.933  -4.700
  803   1HB   GLN 101          1HB       GLN 101  -8.291 -12.261  -2.523
  804   2HB   GLN 101          2HB       GLN 101  -8.131 -11.079  -3.796
  805   1HG   GLN 101          1HG       GLN 101 -10.421 -11.395  -3.709
  806   2HG   GLN 101          2HG       GLN 101 -10.002 -12.552  -4.982
  807   1HE2  GLN 101          2HE2      GLN 101 -12.036 -13.911  -1.896
  808   2HE2  GLN 101          1HE2      GLN 101 -11.981 -12.251  -2.453
  809    H    ILE 102           H        ILE 102  -5.249 -11.704  -4.754
  810    HA   ILE 102           HA       ILE 102  -5.879 -11.096  -7.596
  811    HB   ILE 102           HB       ILE 102  -5.007  -8.953  -7.318
  812   1HG1  ILE 102          1HG1      ILE 102  -4.497  -8.755  -4.446
  813   2HG1  ILE 102          2HG1      ILE 102  -3.532 -10.003  -5.121
  814   1HG2  ILE 102          1HG2      ILE 102  -7.310  -9.321  -6.441
  815   2HG2  ILE 102          2HG2      ILE 102  -6.630  -9.424  -4.803
  816   3HG2  ILE 102          3HG2      ILE 102  -6.460  -7.921  -5.712
  817   1HD1  ILE 102          3HD1      ILE 102  -3.660  -7.252  -6.368
  818   2HD1  ILE 102          1HD1      ILE 102  -2.488  -7.704  -5.124
  819   3HD1  ILE 102          2HD1      ILE 102  -2.468  -8.540  -6.684
  820    H    GLY 103           H        GLY 103  -4.384 -13.441  -6.461
  821   1HA   GLY 103          1HA       GLY 103  -2.944 -14.748  -7.697
  822   2HA   GLY 103          2HA       GLY 103  -2.480 -13.329  -8.624
  823    H    ALA 104           H        ALA 104  -2.059 -13.138  -5.108
  824    HA   ALA 104           HA       ALA 104   0.769 -12.490  -5.644
  825   1HB   ALA 104          1HB       ALA 104  -1.097 -12.523  -3.202
  826   2HB   ALA 104          2HB       ALA 104   0.512 -11.798  -3.220
  827   3HB   ALA 104          3HB       ALA 104  -0.813 -11.094  -4.201
  828    H    LEU 105           H        LEU 105  -0.800 -14.628  -2.974
  829    HA   LEU 105           HA       LEU 105   1.876 -15.321  -2.453
  830   1HB   LEU 105          1HB       LEU 105  -0.645 -16.617  -1.439
  831   2HB   LEU 105          2HB       LEU 105   0.924 -16.893  -0.931
  832    HG   LEU 105           HG       LEU 105  -0.140 -15.589   0.709
  833   1HD1  LEU 105          1HD1      LEU 105   2.260 -15.231   0.349
  834   2HD1  LEU 105          2HD1      LEU 105   1.887 -13.821  -0.665
  835   3HD1  LEU 105          3HD1      LEU 105   1.433 -13.828   1.052
  836   1HD2  LEU 105          2HD2      LEU 105  -1.679 -14.245  -0.815
  837   2HD2  LEU 105          3HD2      LEU 105  -0.867 -13.354   0.468
  838   3HD2  LEU 105          1HD2      LEU 105  -0.257 -13.254  -1.195
  839    H    GLN 106           H        GLN 106   2.797 -17.175  -2.617
  840    HA   GLN 106           HA       GLN 106   2.295 -18.548  -5.130
  841   1HB   GLN 106          2HB       GLN 106   4.475 -17.569  -4.174
  842   2HB   GLN 106          3HB       GLN 106   4.587 -19.021  -3.179
  843   1HG   GLN 106          2HG       GLN 106   4.875 -20.424  -5.097
  844   2HG   GLN 106          3HG       GLN 106   4.164 -19.225  -6.181
  845   1HE2  GLN 106          2HE2      GLN 106   7.163 -17.167  -6.364
  846   2HE2  GLN 106          1HE2      GLN 106   5.446 -16.982  -6.072
   
  No H/Q in entry =         846
  Start of MODEL   20
    1   1H    ALA   2          2H        ALA   2  -3.526  10.011  -7.716
    2   2H    ALA   2          3H        ALA   2  -3.628  10.506  -6.124
    3   3H    ALA   2          1H        ALA   2  -4.731  11.002  -7.249
    4    HA   ALA   2           HA       ALA   2  -3.373  12.795  -6.865
    5   1HB   ALA   2          2HB       ALA   2  -1.483  11.389  -5.973
    6   2HB   ALA   2          3HB       ALA   2  -1.001  11.061  -7.660
    7   3HB   ALA   2          1HB       ALA   2  -0.982  12.723  -7.030
    8    H    GLN   3           H        GLN   3  -1.683  13.704  -8.866
    9    HA   GLN   3           HA       GLN   3  -3.016  14.068 -11.204
   10   1HB   GLN   3          1HB       GLN   3  -0.076  13.473 -10.706
   11   2HB   GLN   3          2HB       GLN   3  -0.690  13.949 -12.289
   12   1HG   GLN   3          1HG       GLN   3  -1.513  16.085 -11.317
   13   2HG   GLN   3          2HG       GLN   3  -0.806  15.641  -9.773
   14   1HE2  GLN   3          2HE2      GLN   3   1.502  17.577 -12.399
   15   2HE2  GLN   3          1HE2      GLN   3  -0.206  17.414 -12.540
   16    H    GLU   4           H        GLU   4  -0.618  11.466 -10.842
   17    HA   GLU   4           HA       GLU   4  -1.932   9.618 -12.722
   18   1HB   GLU   4          1HB       GLU   4  -1.016  11.313 -14.204
   19   2HB   GLU   4          2HB       GLU   4   0.565  11.151 -13.436
   20   1HG   GLU   4          1HG       GLU   4   0.530   9.861 -15.495
   21   2HG   GLU   4          2HG       GLU   4   0.641   8.753 -14.124
   22    H    PHE   5           H        PHE   5   1.307  10.511 -11.296
   23    HA   PHE   5           HA       PHE   5   2.411   8.082 -11.500
   24   1HB   PHE   5          1HB       PHE   5   3.558  10.157 -10.847
   25   2HB   PHE   5          2HB       PHE   5   2.865  10.052  -9.233
   26    HD1  PHE   5          1HD       PHE   5   5.234   8.449 -11.625
   27    HD2  PHE   5          2HD       PHE   5   3.827   8.614  -7.554
   28    HE1  PHE   5          1HE       PHE   5   7.159   7.060 -10.897
   29    HE2  PHE   5          2HE       PHE   5   5.760   7.287  -6.829
   30    HZ   PHE   5           HZ       PHE   5   7.432   6.474  -8.485
   31    H    VAL   6           H        VAL   6   0.306   8.983  -8.832
   32    HA   VAL   6           HA       VAL   6   0.561   6.530  -7.307
   33    HB   VAL   6           HB       VAL   6  -1.362   8.845  -7.449
   34   1HG1  VAL   6          3HG1      VAL   6  -2.957   7.020  -7.029
   35   2HG1  VAL   6          1HG1      VAL   6  -1.984   6.486  -5.653
   36   3HG1  VAL   6          2HG1      VAL   6  -2.767   8.070  -5.631
   37   1HG2  VAL   6          3HG2      VAL   6   0.768   9.022  -6.149
   38   2HG2  VAL   6          1HG2      VAL   6  -0.668   9.174  -5.121
   39   3HG2  VAL   6          2HG2      VAL   6   0.243   7.667  -5.140
   40    H    ASN   7           H        ASN   7  -1.873   7.722  -9.570
   41    HA   ASN   7           HA       ASN   7  -3.608   5.551  -9.497
   42   1HB   ASN   7          1HB       ASN   7  -3.288   7.561 -11.759
   43   2HB   ASN   7          2HB       ASN   7  -4.745   6.701 -11.294
   44   1HD2  ASN   7          2HD2      ASN   7  -5.123  10.163 -10.084
   45   2HD2  ASN   7          1HD2      ASN   7  -5.399   9.165 -11.508
   46    H    CYS   8           H        CYS   8  -0.952   6.312 -11.618
   47    HA   CYS   8           HA       CYS   8  -0.993   4.443 -13.688
   48   1HB   CYS   8          1HB       CYS   8   0.532   6.269 -13.726
   49   2HB   CYS   8          2HB       CYS   8   1.088   5.969 -12.081
   50    HG   CYS   8           HG       CYS   8   3.010   5.643 -13.738
   51    H    LYS   9           H        LYS   9   0.431   4.187 -10.384
   52    HA   LYS   9           HA       LYS   9   1.587   1.601 -10.902
   53   1HB   LYS   9          1HB       LYS   9   1.019   3.124  -8.317
   54   2HB   LYS   9          2HB       LYS   9   1.973   1.651  -8.386
   55   1HG   LYS   9          1HG       LYS   9   2.729   4.119 -10.019
   56   2HG   LYS   9          2HG       LYS   9   3.229   3.890  -8.347
   57   1HD   LYS   9          1HD       LYS   9   4.209   1.659  -9.052
   58   2HD   LYS   9          2HD       LYS   9   3.941   2.138 -10.733
   59   1HE   LYS   9          1HE       LYS   9   5.563   3.729  -8.676
   60   2HE   LYS   9          2HE       LYS   9   6.256   2.593  -9.830
   61   1HZ   LYS   9          2HZ       LYS   9   5.440   3.953 -11.620
   62   2HZ   LYS   9          3HZ       LYS   9   4.851   5.086 -10.546
   63   3HZ   LYS   9          1HZ       LYS   9   6.469   4.762 -10.644
   64    H    ILE  10           H        ILE  10  -1.671   2.496 -10.106
   65    HA   ILE  10           HA       ILE  10  -2.303   0.095  -8.634
   66    HB   ILE  10           HB       ILE  10  -4.158   1.938 -10.145
   67   1HG1  ILE  10          1HG1      ILE  10  -2.995   3.486  -8.984
   68   2HG1  ILE  10          2HG1      ILE  10  -4.669   3.341  -8.440
   69   1HG2  ILE  10          1HG2      ILE  10  -5.203  -0.129  -9.438
   70   2HG2  ILE  10          2HG2      ILE  10  -4.659   0.159  -7.778
   71   3HG2  ILE  10          3HG2      ILE  10  -5.856   1.247  -8.533
   72   1HD1  ILE  10          2HD1      ILE  10  -3.930   1.907  -6.650
   73   2HD1  ILE  10          3HD1      ILE  10  -2.235   2.103  -7.226
   74   3HD1  ILE  10          1HD1      ILE  10  -3.175   3.539  -6.645
   75    H    GLN  11           H        GLN  11  -2.725  -1.934  -9.559
   76    HA   GLN  11           HA       GLN  11  -4.128  -1.969 -12.157
   77   1HB   GLN  11          1HB       GLN  11  -1.788  -3.782 -11.381
   78   2HB   GLN  11          2HB       GLN  11  -3.058  -4.321 -12.445
   79   1HG   GLN  11          1HG       GLN  11  -1.585  -3.626 -13.996
   80   2HG   GLN  11          2HG       GLN  11  -2.592  -2.185 -13.855
   81   1HE2  GLN  11          2HE2      GLN  11   0.904  -0.974 -13.905
   82   2HE2  GLN  11          1HE2      GLN  11  -0.355  -1.529 -15.002
   83    HA   PRO  12           HA       PRO  12  -6.699  -4.726  -9.633
   84   1HB   PRO  12          1HB       PRO  12  -8.114  -6.085 -11.497
   85   2HB   PRO  12          2HB       PRO  12  -8.336  -4.339 -11.241
   86   1HG   PRO  12          1HG       PRO  12  -6.598  -5.681 -13.351
   87   2HG   PRO  12          2HG       PRO  12  -7.818  -4.400 -13.589
   88   1HD   PRO  12          1HD       PRO  12  -5.149  -3.876 -13.327
   89   2HD   PRO  12          2HD       PRO  12  -6.386  -2.759 -12.690
   90    H    GLY  13           H        GLY  13  -4.418  -5.487  -9.215
   91   1HA   GLY  13          1HA       GLY  13  -3.866  -7.939  -8.523
   92   2HA   GLY  13          2HA       GLY  13  -3.729  -8.088 -10.272
   93    H    LYS  14           H        LYS  14  -2.819  -5.774  -7.687
   94    HA   LYS  14           HA       LYS  14  -0.018  -6.184  -8.009
   95   1HB   LYS  14          1HB       LYS  14  -1.311  -3.739  -9.121
   96   2HB   LYS  14          2HB       LYS  14  -0.192  -3.361  -7.845
   97   1HG   LYS  14          1HG       LYS  14   0.909  -5.355  -9.733
   98   2HG   LYS  14          2HG       LYS  14   0.429  -3.903 -10.549
   99   1HD   LYS  14          1HD       LYS  14   2.078  -3.571  -8.046
  100   2HD   LYS  14          2HD       LYS  14   2.859  -4.289  -9.439
  101   1HE   LYS  14          1HE       LYS  14   1.561  -1.560  -9.390
  102   2HE   LYS  14          2HE       LYS  14   3.293  -1.906  -9.296
  103   1HZ   LYS  14          3HZ       LYS  14   3.020  -3.021 -11.503
  104   2HZ   LYS  14          1HZ       LYS  14   1.502  -2.328 -11.581
  105   3HZ   LYS  14          2HZ       LYS  14   2.830  -1.403 -11.546
  106    H    VAL  15           H        VAL  15   1.038  -5.343  -5.981
  107    HA   VAL  15           HA       VAL  15  -0.927  -4.607  -3.894
  108    HB   VAL  15           HB       VAL  15   1.669  -6.168  -3.690
  109   1HG1  VAL  15          3HG1      VAL  15  -0.260  -4.931  -1.741
  110   2HG1  VAL  15          1HG1      VAL  15   0.621  -6.412  -1.259
  111   3HG1  VAL  15          2HG1      VAL  15   1.460  -4.916  -1.686
  112   1HG2  VAL  15          2HG2      VAL  15  -0.138  -7.579  -4.620
  113   2HG2  VAL  15          3HG2      VAL  15   0.359  -8.065  -3.003
  114   3HG2  VAL  15          1HG2      VAL  15  -1.143  -7.144  -3.232
  115    H    VAL  16           H        VAL  16  -0.716  -2.344  -4.314
  116    HA   VAL  16           HA       VAL  16   2.058  -1.261  -4.308
  117    HB   VAL  16           HB       VAL  16  -0.646  -0.040  -4.937
  118   1HG1  VAL  16          3HG1      VAL  16   2.045   1.312  -4.553
  119   2HG1  VAL  16          1HG1      VAL  16   0.755   2.004  -5.553
  120   3HG1  VAL  16          2HG1      VAL  16   0.491   1.751  -3.822
  121   1HG2  VAL  16          1HG2      VAL  16   1.907  -0.510  -6.532
  122   2HG2  VAL  16          2HG2      VAL  16   0.393  -1.418  -6.693
  123   3HG2  VAL  16          3HG2      VAL  16   0.432   0.293  -7.116
  124    H    VAL  17           H        VAL  17   2.775   0.061  -2.592
  125    HA   VAL  17           HA       VAL  17   0.751   0.747  -0.568
  126    HB   VAL  17           HB       VAL  17   3.584   0.339   0.353
  127   1HG1  VAL  17          3HG1      VAL  17   1.963   1.581   1.743
  128   2HG1  VAL  17          1HG1      VAL  17   0.876   0.197   1.729
  129   3HG1  VAL  17          2HG1      VAL  17   2.460   0.071   2.524
  130   1HG2  VAL  17          3HG2      VAL  17   1.528  -1.894   0.236
  131   2HG2  VAL  17          1HG2      VAL  17   3.103  -1.851  -0.581
  132   3HG2  VAL  17          2HG2      VAL  17   3.048  -1.900   1.179
  133    H    PHE  18           H        PHE  18   0.554   2.920  -0.706
  134    HA   PHE  18           HA       PHE  18   2.768   4.502  -1.837
  135   1HB   PHE  18          1HB       PHE  18   0.077   5.400  -0.710
  136   2HB   PHE  18          2HB       PHE  18   1.258   6.453  -1.490
  137    HD1  PHE  18          1HD       PHE  18   2.095   5.763  -3.859
  138    HD2  PHE  18          2HD       PHE  18  -1.556   4.311  -2.091
  139    HE1  PHE  18          1HE       PHE  18   1.307   4.980  -6.089
  140    HE2  PHE  18          2HE       PHE  18  -2.358   3.620  -4.352
  141    HZ   PHE  18           HZ       PHE  18  -0.911   3.949  -6.330
  142    H    ILE  19           H        ILE  19   4.363   5.293  -0.471
  143    HA   ILE  19           HA       ILE  19   3.994   5.505   2.458
  144    HB   ILE  19           HB       ILE  19   6.127   4.169   2.684
  145   1HG1  ILE  19          1HG1      ILE  19   6.296   2.478   0.582
  146   2HG1  ILE  19          2HG1      ILE  19   5.875   3.901  -0.312
  147   1HG2  ILE  19          2HG2      ILE  19   3.774   3.259   2.950
  148   2HG2  ILE  19          3HG2      ILE  19   4.006   2.500   1.362
  149   3HG2  ILE  19          1HG2      ILE  19   5.083   2.094   2.714
  150   1HD1  ILE  19          2HD1      ILE  19   7.814   5.104   0.739
  151   2HD1  ILE  19          3HD1      ILE  19   8.243   3.588   1.566
  152   3HD1  ILE  19          1HD1      ILE  19   8.268   3.684  -0.210
  153    H    LYS  20           H        LYS  20   6.345   6.173   3.348
  154    HA   LYS  20           HA       LYS  20   7.626   8.219   1.613
  155   1HB   LYS  20          1HB       LYS  20   8.104   9.396   3.929
  156   2HB   LYS  20          2HB       LYS  20   6.598   9.708   3.078
  157   1HG   LYS  20          1HG       LYS  20   6.533   7.453   5.027
  158   2HG   LYS  20          2HG       LYS  20   6.973   8.993   5.734
  159   1HD   LYS  20          1HD       LYS  20   4.554   8.668   3.916
  160   2HD   LYS  20          2HD       LYS  20   4.457   8.400   5.649
  161   1HE   LYS  20          1HE       LYS  20   5.324  11.034   4.340
  162   2HE   LYS  20          2HE       LYS  20   3.732  10.686   5.013
  163   1HZ   LYS  20          2HZ       LYS  20   5.159  10.124   7.110
  164   2HZ   LYS  20          3HZ       LYS  20   6.225  11.153   6.456
  165   3HZ   LYS  20          1HZ       LYS  20   4.684  11.670   6.763
  166    HA   PRO  21           HA       PRO  21  11.202   5.992   2.752
  167   1HB   PRO  21          1HB       PRO  21  13.214   7.747   2.282
  168   2HB   PRO  21          2HB       PRO  21  12.084   7.247   0.997
  169   1HG   PRO  21          1HG       PRO  21  12.038   9.798   2.623
  170   2HG   PRO  21          2HG       PRO  21  11.808   9.584   0.862
  171   1HD   PRO  21          1HD       PRO  21   9.768   9.752   2.760
  172   2HD   PRO  21          2HD       PRO  21   9.608   9.035   1.159
  173    H    THR  22           H        THR  22   9.726   7.247   5.079
  174    HA   THR  22           HA       THR  22  11.892   7.022   6.937
  175    HB   THR  22           HB       THR  22  12.317   9.113   6.870
  176    HG1  THR  22           HG1      THR  22  12.385   8.872   8.879
  177   1HG2  THR  22          2HG2      THR  22   9.370   9.523   6.991
  178   2HG2  THR  22          3HG2      THR  22  10.639  10.807   7.191
  179   3HG2  THR  22          1HG2      THR  22  10.509   9.883   5.666
  180    H    CYS  23           H        CSN  23   8.971   8.301   8.180
  181    HA   CYS  23           HA       CSN  23   7.623   7.427   9.721
  182   1HB   CYS  23          2HB       CSN  23   6.706   6.685   7.004
  183   2HB   CYS  23          3HB       CSN  23   5.789   6.135   8.387
  184    HA   PRO  24           HA       PRO  24   8.957   3.266  10.893
  185   1HB   PRO  24          1HB       PRO  24   7.897   3.300  13.441
  186   2HB   PRO  24          2HB       PRO  24   9.497   3.950  12.982
  187   1HG   PRO  24          1HG       PRO  24   6.912   5.453  13.379
  188   2HG   PRO  24          2HG       PRO  24   8.565   5.914  13.901
  189   1HD   PRO  24          1HD       PRO  24   7.295   6.887  11.671
  190   2HD   PRO  24          2HD       PRO  24   9.068   6.734  11.736
  191    H    TYR  25           H        TYR  25   5.833   4.742  10.625
  192    HA   TYR  25           HA       TYR  25   4.176   2.378  10.982
  193   1HB   TYR  25          1HB       TYR  25   3.756   5.034   9.514
  194   2HB   TYR  25          2HB       TYR  25   2.494   3.869   9.875
  195    HD1  TYR  25          1HD       TYR  25   2.182   3.237  12.494
  196    HD2  TYR  25          2HD       TYR  25   4.137   6.790  10.972
  197    HE1  TYR  25          1HE       TYR  25   1.924   4.340  14.693
  198    HE2  TYR  25          2HE       TYR  25   3.865   7.882  13.151
  199    HH   TYR  25           HH       TYR  25   2.527   6.202  16.027
  200    H    CYS  26           H        CYS  26   5.605   4.180   8.163
  201    HA   CYS  26           HA       CYS  26   4.609   2.355   6.142
  202   1HB   CYS  26          1HB       CYS  26   6.848   4.443   6.179
  203   2HB   CYS  26          2HB       CYS  26   6.464   3.434   4.787
  204    HG   CYS  26           HG       CYS  26   4.390   5.509   6.404
  205    H    ARG  27           H        ARG  27   7.676   2.752   7.937
  206    HA   ARG  27           HA       ARG  27   9.137   0.625   6.859
  207   1HB   ARG  27          1HB       ARG  27   9.716   2.451   8.678
  208   2HB   ARG  27          2HB       ARG  27   9.191   1.210   9.832
  209   1HG   ARG  27          1HG       ARG  27  10.887  -0.360   8.748
  210   2HG   ARG  27          2HG       ARG  27  11.415   1.019   7.761
  211   1HD   ARG  27          1HD       ARG  27  11.513   2.205  10.183
  212   2HD   ARG  27          2HD       ARG  27  11.728   0.551  10.729
  213    HE   ARG  27           HE       ARG  27  13.476   2.171   8.942
  214   1HH1  ARG  27          2HH2      ARG  27  13.170  -0.909  10.716
  215   2HH1  ARG  27          1HH2      ARG  27  14.885  -1.076  10.927
  216   1HH2  ARG  27          2HH1      ARG  27  15.658   1.902   9.137
  217   2HH2  ARG  27          1HH1      ARG  27  16.346   0.565  10.010
  218    H    ARG  28           H        ARG  28   6.759   0.526   9.582
  219    HA   ARG  28           HA       ARG  28   6.906  -2.242  10.050
  220   1HB   ARG  28          1HB       ARG  28   5.573  -0.574  11.413
  221   2HB   ARG  28          2HB       ARG  28   4.372  -0.533  10.150
  222   1HG   ARG  28          1HG       ARG  28   3.344  -2.301  11.079
  223   2HG   ARG  28          2HG       ARG  28   4.675  -3.292  10.555
  224   1HD   ARG  28          1HD       ARG  28   4.782  -1.765  13.184
  225   2HD   ARG  28          2HD       ARG  28   4.089  -3.385  13.031
  226    HE   ARG  28           HE       ARG  28   6.763  -3.310  11.908
  227   1HH1  ARG  28          2HH2      ARG  28   5.216  -3.203  15.071
  228   2HH1  ARG  28          1HH2      ARG  28   6.047  -4.587  15.695
  229   1HH2  ARG  28          2HH1      ARG  28   8.221  -4.707  12.844
  230   2HH2  ARG  28          1HH1      ARG  28   7.912  -5.408  14.428
  231    H    ALA  29           H        ALA  29   4.562  -0.503   7.978
  232    HA   ALA  29           HA       ALA  29   3.337  -2.830   6.992
  233   1HB   ALA  29          3HB       ALA  29   3.693  -0.182   5.516
  234   2HB   ALA  29          1HB       ALA  29   2.577  -1.476   5.041
  235   3HB   ALA  29          2HB       ALA  29   2.340  -0.650   6.592
  236    H    GLN  30           H        GLN  30   6.293  -1.208   5.609
  237    HA   GLN  30           HA       GLN  30   6.599  -2.887   3.481
  238   1HB   GLN  30          1HB       GLN  30   8.214  -0.926   4.965
  239   2HB   GLN  30          2HB       GLN  30   9.226  -2.310   4.574
  240   1HG   GLN  30          1HG       GLN  30   9.382  -1.768   2.430
  241   2HG   GLN  30          2HG       GLN  30   7.634  -1.690   2.319
  242   1HE2  GLN  30          2HE2      GLN  30   9.850   1.776   2.449
  243   2HE2  GLN  30          1HE2      GLN  30  10.536   0.168   2.299
  244    H    GLU  31           H        GLU  31   7.781  -3.486   6.794
  245    HA   GLU  31           HA       GLU  31   9.127  -5.939   5.853
  246   1HB   GLU  31          1HB       GLU  31   9.728  -6.337   8.194
  247   2HB   GLU  31          2HB       GLU  31  10.131  -4.704   7.666
  248   1HG   GLU  31          1HG       GLU  31   8.064  -3.876   8.778
  249   2HG   GLU  31          2HG       GLU  31   7.803  -5.489   9.448
  250    H    ILE  32           H        ILE  32   6.172  -5.076   7.561
  251    HA   ILE  32           HA       ILE  32   5.141  -7.654   8.120
  252    HB   ILE  32           HB       ILE  32   3.987  -4.919   7.563
  253   1HG1  ILE  32          1HG1      ILE  32   3.996  -6.862   9.914
  254   2HG1  ILE  32          2HG1      ILE  32   4.923  -5.385   9.772
  255   1HG2  ILE  32          1HG2      ILE  32   2.261  -7.361   7.873
  256   2HG2  ILE  32          2HG2      ILE  32   1.703  -5.676   8.023
  257   3HG2  ILE  32          3HG2      ILE  32   2.315  -6.224   6.492
  258   1HD1  ILE  32          1HD1      ILE  32   2.652  -4.152   9.719
  259   2HD1  ILE  32          2HD1      ILE  32   1.923  -5.697  10.206
  260   3HD1  ILE  32          3HD1      ILE  32   3.109  -4.932  11.261
  261    H    LEU  33           H        LEU  33   4.737  -5.630   5.156
  262    HA   LEU  33           HA       LEU  33   3.188  -7.741   3.976
  263   1HB   LEU  33          1HB       LEU  33   4.190  -5.078   2.981
  264   2HB   LEU  33          2HB       LEU  33   3.827  -6.289   1.779
  265    HG   LEU  33           HG       LEU  33   1.800  -5.364   3.875
  266   1HD1  LEU  33          1HD1      LEU  33   2.136  -4.632   0.947
  267   2HD1  LEU  33          2HD1      LEU  33   0.726  -4.252   1.946
  268   3HD1  LEU  33          3HD1      LEU  33   2.304  -3.578   2.377
  269   1HD2  LEU  33          1HD2      LEU  33   1.550  -7.174   1.411
  270   2HD2  LEU  33          2HD2      LEU  33   1.260  -7.642   3.094
  271   3HD2  LEU  33          3HD2      LEU  33   0.181  -6.493   2.305
  272    H    SER  34           H        SER  34   6.613  -6.531   3.535
  273    HA   SER  34           HA       SER  34   7.374  -8.419   1.593
  274   1HB   SER  34          1HB       SER  34   8.989  -7.341   3.944
  275   2HB   SER  34          2HB       SER  34   9.671  -8.152   2.529
  276    HG   SER  34           HG       SER  34   8.417  -5.669   2.768
  277    H    GLN  35           H        GLN  35   6.813  -9.023   5.070
  278    HA   GLN  35           HA       GLN  35   8.258 -11.506   5.160
  279   1HB   GLN  35          1HB       GLN  35   6.159 -10.133   6.874
  280   2HB   GLN  35          2HB       GLN  35   6.622 -11.781   7.234
  281   1HG   GLN  35          1HG       GLN  35   8.818  -9.741   6.928
  282   2HG   GLN  35          2HG       GLN  35   7.828  -9.720   8.383
  283   1HE2  GLN  35          2HE2      GLN  35   9.022 -12.823   9.670
  284   2HE2  GLN  35          1HE2      GLN  35   7.963 -11.425   9.865
  285    H    LEU  36           H        LEU  36   5.130 -10.721   3.715
  286    HA   LEU  36           HA       LEU  36   4.245 -13.523   3.907
  287   1HB   LEU  36          1HB       LEU  36   3.010 -11.034   2.690
  288   2HB   LEU  36          2HB       LEU  36   2.324 -12.658   2.628
  289    HG   LEU  36           HG       LEU  36   2.807 -10.994   5.143
  290   1HD1  LEU  36          3HD1      LEU  36   0.934 -10.202   3.758
  291   2HD1  LEU  36          1HD1      LEU  36   0.212 -11.827   3.793
  292   3HD1  LEU  36          2HD1      LEU  36   0.372 -10.889   5.296
  293   1HD2  LEU  36          2HD2      LEU  36   1.558 -13.763   4.853
  294   2HD2  LEU  36          3HD2      LEU  36   3.050 -13.353   5.717
  295   3HD2  LEU  36          1HD2      LEU  36   1.518 -12.761   6.330
  296    HA   PRO  37           HA       PRO  37   6.386 -13.960   0.015
  297   1HB   PRO  37          1HB       PRO  37   5.636 -16.472  -0.713
  298   2HB   PRO  37          2HB       PRO  37   6.729 -16.161   0.670
  299   1HG   PRO  37          1HG       PRO  37   3.755 -16.738   0.741
  300   2HG   PRO  37          2HG       PRO  37   5.045 -17.402   1.787
  301   1HD   PRO  37          1HD       PRO  37   3.431 -15.251   2.479
  302   2HD   PRO  37          2HD       PRO  37   5.085 -15.469   3.112
  303    H    ILE  38           H        ILE  38   5.670 -12.746  -1.692
  304    HA   ILE  38           HA       ILE  38   2.848 -13.105  -2.662
  305    HB   ILE  38           HB       ILE  38   4.441 -10.689  -1.697
  306   1HG1  ILE  38          1HG1      ILE  38   1.459 -11.341  -1.404
  307   2HG1  ILE  38          2HG1      ILE  38   2.663 -12.085  -0.368
  308   1HG2  ILE  38          1HG2      ILE  38   2.125 -10.520  -3.709
  309   2HG2  ILE  38          2HG2      ILE  38   2.674  -9.171  -2.729
  310   3HG2  ILE  38          3HG2      ILE  38   3.766  -9.873  -3.898
  311   1HD1  ILE  38          1HD1      ILE  38   3.533  -9.791   0.232
  312   2HD1  ILE  38          2HD1      ILE  38   2.019  -9.153  -0.490
  313   3HD1  ILE  38          3HD1      ILE  38   1.983 -10.259   0.885
  314    H    LYS  39           H        LYS  39   2.641 -12.792  -4.911
  315    HA   LYS  39           HA       LYS  39   4.603 -13.563  -6.536
  316   1HB   LYS  39          1HB       LYS  39   2.128 -12.056  -7.016
  317   2HB   LYS  39          2HB       LYS  39   3.307 -12.115  -8.342
  318   1HG   LYS  39          1HG       LYS  39   2.650 -14.708  -6.970
  319   2HG   LYS  39          2HG       LYS  39   1.369 -13.978  -7.928
  320   1HD   LYS  39          1HD       LYS  39   4.166 -14.487  -9.007
  321   2HD   LYS  39          2HD       LYS  39   2.836 -15.654  -9.093
  322   1HE   LYS  39          1HE       LYS  39   1.409 -13.863 -10.199
  323   2HE   LYS  39          2HE       LYS  39   2.848 -12.841 -10.304
  324   1HZ   LYS  39          1HZ       LYS  39   3.859 -14.573 -11.689
  325   2HZ   LYS  39          2HZ       LYS  39   2.442 -15.454 -11.594
  326   3HZ   LYS  39          3HZ       LYS  39   2.459 -13.984 -12.324
  327    H    GLN  40           H        GLN  40   6.568 -12.638  -7.267
  328    HA   GLN  40           HA       GLN  40   7.144  -9.916  -6.451
  329   1HB   GLN  40          1HB       GLN  40   8.891 -11.807  -6.777
  330   2HB   GLN  40          2HB       GLN  40   8.857 -11.348  -8.488
  331   1HG   GLN  40          1HG       GLN  40   9.398  -8.972  -7.792
  332   2HG   GLN  40          2HG       GLN  40   9.422  -9.508  -6.113
  333   1HE2  GLN  40          2HE2      GLN  40  12.787  -9.915  -8.268
  334   2HE2  GLN  40          1HE2      GLN  40  11.463  -8.951  -8.861
  335    H    GLY  41           H        GLY  41   7.351  -8.054  -7.812
  336   1HA   GLY  41          1HA       GLY  41   6.866  -6.816  -9.802
  337   2HA   GLY  41          2HA       GLY  41   5.947  -8.182 -10.441
  338    H    LEU  42           H        LEU  42   4.500  -8.674  -7.693
  339    HA   LEU  42           HA       LEU  42   2.473  -6.675  -8.125
  340   1HB   LEU  42          1HB       LEU  42   2.702  -8.685  -5.889
  341   2HB   LEU  42          2HB       LEU  42   1.355  -7.664  -6.305
  342    HG   LEU  42           HG       LEU  42   2.398 -10.036  -7.817
  343   1HD1  LEU  42          2HD1      LEU  42   0.789 -10.305  -5.916
  344   2HD1  LEU  42          3HD1      LEU  42  -0.360  -9.241  -6.755
  345   3HD1  LEU  42          1HD1      LEU  42   0.069 -10.807  -7.467
  346   1HD2  LEU  42          1HD2      LEU  42   0.302  -8.135  -8.881
  347   2HD2  LEU  42          2HD2      LEU  42   1.916  -8.432  -9.584
  348   3HD2  LEU  42          3HD2      LEU  42   0.711  -9.719  -9.544
  349    H    LEU  43           H        LEU  43   4.985  -7.273  -5.531
  350    HA   LEU  43           HA       LEU  43   3.608  -5.341  -3.874
  351   1HB   LEU  43          1HB       LEU  43   5.008  -7.537  -3.191
  352   2HB   LEU  43          2HB       LEU  43   6.273  -6.349  -3.041
  353    HG   LEU  43           HG       LEU  43   5.486  -6.326  -0.899
  354   1HD1  LEU  43          1HD1      LEU  43   5.150  -3.995  -1.628
  355   2HD1  LEU  43          2HD1      LEU  43   3.465  -4.323  -2.003
  356   3HD1  LEU  43          3HD1      LEU  43   4.035  -4.470  -0.340
  357   1HD2  LEU  43          3HD2      LEU  43   2.793  -7.036  -2.036
  358   2HD2  LEU  43          1HD2      LEU  43   3.897  -7.969  -1.028
  359   3HD2  LEU  43          2HD2      LEU  43   3.012  -6.612  -0.316
  360    H    GLU  44           H        GLU  44   3.840  -3.154  -4.416
  361    HA   GLU  44           HA       GLU  44   6.623  -2.261  -4.988
  362   1HB   GLU  44          1HB       GLU  44   5.063  -2.600  -6.978
  363   2HB   GLU  44          2HB       GLU  44   4.201  -1.154  -6.416
  364   1HG   GLU  44          1HG       GLU  44   6.288   0.146  -6.500
  365   2HG   GLU  44          2HG       GLU  44   7.223  -1.299  -6.887
  366    H    PHE  45           H        PHE  45   7.284  -1.055  -3.417
  367    HA   PHE  45           HA       PHE  45   5.471   0.557  -1.768
  368   1HB   PHE  45          1HB       PHE  45   8.498   0.260  -1.681
  369   2HB   PHE  45          2HB       PHE  45   7.484   0.941  -0.432
  370    HD1  PHE  45          2HD       PHE  45   5.379  -0.830   0.118
  371    HD2  PHE  45          1HD       PHE  45   9.356  -1.880  -1.161
  372    HE1  PHE  45          2HE       PHE  45   5.124  -3.079   1.166
  373    HE2  PHE  45          1HE       PHE  45   9.083  -4.125  -0.156
  374    HZ   PHE  45           HZ       PHE  45   6.970  -4.732   1.000
  375    H    VAL  46           H        VAL  46   4.762   2.390  -2.777
  376    HA   VAL  46           HA       VAL  46   6.465   3.755  -4.788
  377    HB   VAL  46           HB       VAL  46   3.476   3.897  -4.224
  378   1HG1  VAL  46          3HG1      VAL  46   5.202   5.072  -6.454
  379   2HG1  VAL  46          1HG1      VAL  46   3.431   5.109  -6.436
  380   3HG1  VAL  46          2HG1      VAL  46   4.329   5.996  -5.208
  381   1HG2  VAL  46          2HG2      VAL  46   4.155   1.716  -5.176
  382   2HG2  VAL  46          3HG2      VAL  46   3.181   2.668  -6.290
  383   3HG2  VAL  46          1HG2      VAL  46   4.954   2.553  -6.516
  384    H    ASP  47           H        ASP  47   7.422   5.678  -4.182
  385    HA   ASP  47           HA       ASP  47   6.810   6.514  -1.457
  386   1HB   ASP  47          1HB       ASP  47   9.126   6.049  -2.378
  387   2HB   ASP  47          2HB       ASP  47   8.993   7.610  -3.212
  388    H    ILE  48           H        ILE  48   5.844   8.405  -0.889
  389    HA   ILE  48           HA       ILE  48   4.589  10.068  -2.954
  390    HB   ILE  48           HB       ILE  48   3.310  11.007  -1.133
  391   1HG1  ILE  48          1HG1      ILE  48   5.022   9.405   0.817
  392   2HG1  ILE  48          2HG1      ILE  48   5.053  11.122   0.608
  393   1HG2  ILE  48          3HG2      ILE  48   2.748   8.756  -2.169
  394   2HG2  ILE  48          1HG2      ILE  48   3.498   7.971  -0.768
  395   3HG2  ILE  48          2HG2      ILE  48   2.072   8.995  -0.559
  396   1HD1  ILE  48          3HD1      ILE  48   2.605  11.182   1.229
  397   2HD1  ILE  48          1HD1      ILE  48   2.782   9.478   1.692
  398   3HD1  ILE  48          2HD1      ILE  48   3.735  10.722   2.516
  399    H    THR  49           H        THR  49   7.520  10.331  -1.202
  400    HA   THR  49           HA       THR  49   7.563  13.288  -1.516
  401    HB   THR  49           HB       THR  49   6.638  12.569   0.688
  402    HG1  THR  49           HG1      THR  49   7.766  13.976   1.889
  403   1HG2  THR  49          2HG2      THR  49   7.998  10.579   1.078
  404   2HG2  THR  49          3HG2      THR  49   9.441  11.607   1.284
  405   3HG2  THR  49          1HG2      THR  49   8.080  11.717   2.425
  406    H    ALA  50           H        ALA  50   9.085  10.373  -2.136
  407    HA   ALA  50           HA       ALA  50  11.766  10.900  -2.017
  408   1HB   ALA  50          1HB       ALA  50  10.205   9.560  -4.255
  409   2HB   ALA  50          2HB       ALA  50  11.972   9.503  -4.080
  410   3HB   ALA  50          3HB       ALA  50  10.952   8.797  -2.822
  411    H    THR  51           H        THR  51   9.428  12.604  -3.986
  412    HA   THR  51           HA       THR  51  11.636  14.456  -4.620
  413    HB   THR  51           HB       THR  51  10.593  15.183  -6.651
  414    HG1  THR  51           HG1      THR  51   8.950  14.258  -7.570
  415   1HG2  THR  51          3HG2      THR  51  12.307  13.424  -6.778
  416   2HG2  THR  51          1HG2      THR  51  11.060  12.163  -6.707
  417   3HG2  THR  51          2HG2      THR  51  11.140  13.255  -8.094
  418    H    ASN  52           H        ASN  52   8.034  14.638  -4.863
  419    HA   ASN  52           HA       ASN  52   7.813  16.484  -2.621
  420   1HB   ASN  52          1HB       ASN  52   8.897  17.722  -4.639
  421   2HB   ASN  52          2HB       ASN  52   7.315  17.595  -5.415
  422   1HD2  ASN  52          2HD2      ASN  52   7.584  20.903  -3.713
  423   2HD2  ASN  52          1HD2      ASN  52   8.467  20.054  -4.967
  424    H    HIS  53           H        HIS  53   5.376  17.722  -3.506
  425    HA   HIS  53           HA       HIS  53   3.195  17.468  -3.696
  426   1HB   HIS  53          1HB       HIS  53   4.009  15.361  -5.671
  427   2HB   HIS  53          2HB       HIS  53   2.330  15.719  -5.350
  428    HD1  HIS  53          1HD       HIS  53   4.845  16.771  -7.700
  429    HD2  HIS  53          2HD       HIS  53   1.685  18.540  -5.542
  430    HE1  HIS  53          1HE       HIS  53   4.149  18.844  -9.000
  431    H    THR  54           H        THR  54   4.690  15.447  -1.660
  432    HA   THR  54           HA       THR  54   3.079  13.298  -1.282
  433    HB   THR  54           HB       THR  54   4.686  13.140   0.207
  434    HG1  THR  54           HG1      THR  54   2.734  13.032   1.480
  435   1HG2  THR  54          1HG2      THR  54   4.415  16.026   0.943
  436   2HG2  THR  54          2HG2      THR  54   5.551  14.871   1.681
  437   3HG2  THR  54          3HG2      THR  54   5.708  15.256  -0.042
  438    H    ASN  55           H        ASN  55   2.571  16.272   0.499
  439    HA   ASN  55           HA       ASN  55   0.097  15.534   1.590
  440   1HB   ASN  55          1HB       ASN  55   1.518  18.068   1.469
  441   2HB   ASN  55          2HB       ASN  55  -0.214  18.311   1.239
  442   1HD2  ASN  55          2HD2      ASN  55   0.952  17.766   4.962
  443   2HD2  ASN  55          1HD2      ASN  55   2.026  18.235   3.665
  444    H    GLU  56           H        GLU  56   0.574  17.217  -1.559
  445    HA   GLU  56           HA       GLU  56  -2.085  17.454  -2.332
  446   1HB   GLU  56          1HB       GLU  56   0.495  17.988  -3.278
  447   2HB   GLU  56          2HB       GLU  56  -0.008  16.745  -4.389
  448   1HG   GLU  56          1HG       GLU  56  -2.049  18.866  -3.926
  449   2HG   GLU  56          2HG       GLU  56  -0.501  19.458  -4.518
  450    H    ILE  57           H        ILE  57   0.186  14.759  -2.822
  451    HA   ILE  57           HA       ILE  57  -1.522  12.947  -4.194
  452    HB   ILE  57           HB       ILE  57   1.047  12.810  -2.596
  453   1HG1  ILE  57          1HG1      ILE  57   0.611  11.646  -5.331
  454   2HG1  ILE  57          2HG1      ILE  57   0.753  13.401  -5.138
  455   1HG2  ILE  57          3HG2      ILE  57  -0.600  10.386  -3.321
  456   2HG2  ILE  57          1HG2      ILE  57   1.163  10.307  -3.139
  457   3HG2  ILE  57          2HG2      ILE  57   0.162  10.801  -1.779
  458   1HD1  ILE  57          2HD1      ILE  57   2.823  11.356  -4.238
  459   2HD1  ILE  57          3HD1      ILE  57   2.906  12.373  -5.689
  460   3HD1  ILE  57          1HD1      ILE  57   2.965  13.115  -4.081
  461    H    GLN  58           H        GLN  58  -1.007  13.673  -0.763
  462    HA   GLN  58           HA       GLN  58  -2.271  11.285   0.174
  463   1HB   GLN  58          1HB       GLN  58  -1.147  13.851   1.416
  464   2HB   GLN  58          2HB       GLN  58  -2.161  12.814   2.376
  465   1HG   GLN  58          1HG       GLN  58   0.587  12.271   1.395
  466   2HG   GLN  58          2HG       GLN  58  -0.067  12.063   2.994
  467   1HE2  GLN  58          2HE2      GLN  58  -1.623   8.839   1.913
  468   2HE2  GLN  58          1HE2      GLN  58  -2.045  10.243   2.894
  469    H    ASP  59           H        ASP  59  -3.227  14.690  -0.087
  470    HA   ASP  59           HA       ASP  59  -5.756  14.652   1.135
  471   1HB   ASP  59          1HB       ASP  59  -4.199  16.536   0.090
  472   2HB   ASP  59          2HB       ASP  59  -5.139  16.289  -1.353
  473    H    TYR  60           H        TYR  60  -4.877  14.372  -2.272
  474    HA   TYR  60           HA       TYR  60  -7.295  13.483  -3.417
  475   1HB   TYR  60          1HB       TYR  60  -5.121  14.120  -4.533
  476   2HB   TYR  60          2HB       TYR  60  -4.481  12.543  -4.148
  477    HD1  TYR  60          2HD       TYR  60  -6.569  10.580  -4.999
  478    HD2  TYR  60          1HD       TYR  60  -5.332  14.311  -6.768
  479    HE1  TYR  60          2HE       TYR  60  -7.367   9.799  -7.192
  480    HE2  TYR  60          1HE       TYR  60  -6.027  13.474  -8.982
  481    HH   TYR  60           HH       TYR  60  -7.932  10.520  -9.423
  482    H    LEU  61           H        LEU  61  -4.664  11.503  -1.933
  483    HA   LEU  61           HA       LEU  61  -5.832   8.979  -2.426
  484   1HB   LEU  61          1HB       LEU  61  -3.771  10.004  -0.523
  485   2HB   LEU  61          2HB       LEU  61  -4.484   8.469  -0.131
  486    HG   LEU  61           HG       LEU  61  -3.226   9.028  -2.854
  487   1HD1  LEU  61          3HD1      LEU  61  -1.530   9.324  -1.086
  488   2HD1  LEU  61          1HD1      LEU  61  -1.932   7.743  -0.401
  489   3HD1  LEU  61          2HD1      LEU  61  -1.228   7.864  -2.027
  490   1HD2  LEU  61          1HD2      LEU  61  -4.796   7.066  -2.681
  491   2HD2  LEU  61          2HD2      LEU  61  -3.118   6.554  -2.937
  492   3HD2  LEU  61          3HD2      LEU  61  -3.848   6.458  -1.322
  493    H    GLN  62           H        GLN  62  -6.634  11.352   0.129
  494    HA   GLN  62           HA       GLN  62  -8.196   9.540   1.693
  495   1HB   GLN  62          1HB       GLN  62  -7.572  11.973   2.262
  496   2HB   GLN  62          2HB       GLN  62  -8.911  12.464   1.239
  497   1HG   GLN  62          1HG       GLN  62 -10.472  11.078   2.591
  498   2HG   GLN  62          2HG       GLN  62  -9.133  10.563   3.613
  499   1HE2  GLN  62          2HE2      GLN  62 -10.695  14.368   4.050
  500   2HE2  GLN  62          1HE2      GLN  62 -11.115  13.374   2.684
  501    H    GLN  63           H        GLN  63  -9.191  11.834  -0.887
  502    HA   GLN  63           HA       GLN  63 -11.845  10.908  -0.986
  503   1HB   GLN  63          1HB       GLN  63 -10.370  12.998  -2.060
  504   2HB   GLN  63          2HB       GLN  63 -10.670  12.053  -3.493
  505   1HG   GLN  63          1HG       GLN  63 -12.443  13.707  -3.204
  506   2HG   GLN  63          2HG       GLN  63 -13.128  12.098  -2.980
  507   1HE2  GLN  63          2HE2      GLN  63 -14.688  13.844  -0.221
  508   2HE2  GLN  63          1HE2      GLN  63 -14.840  13.643  -1.943
  509    H    LEU  64           H        LEU  64  -9.003   9.879  -2.717
  510    HA   LEU  64           HA       LEU  64 -10.364   8.075  -4.562
  511   1HB   LEU  64          1HB       LEU  64  -8.394   9.019  -5.354
  512   2HB   LEU  64          2HB       LEU  64  -7.555   8.759  -3.836
  513    HG   LEU  64           HG       LEU  64  -7.375   6.316  -4.337
  514   1HD1  LEU  64          2HD1      LEU  64  -8.232   7.289  -7.127
  515   2HD1  LEU  64          3HD1      LEU  64  -7.567   5.682  -6.749
  516   3HD1  LEU  64          1HD1      LEU  64  -9.135   6.163  -6.095
  517   1HD2  LEU  64          3HD2      LEU  64  -5.525   8.011  -4.700
  518   2HD2  LEU  64          1HD2      LEU  64  -5.454   6.616  -5.784
  519   3HD2  LEU  64          2HD2      LEU  64  -6.056   8.162  -6.389
  520    H    THR  65           H        THR  65  -9.240   7.684  -1.180
  521    HA   THR  65           HA       THR  65 -10.039   4.829  -1.415
  522    HB   THR  65           HB       THR  65  -8.393   4.209   0.148
  523    HG1  THR  65           HG1      THR  65  -7.502   6.904   0.178
  524   1HG2  THR  65          3HG2      THR  65  -7.743   4.430  -2.247
  525   2HG2  THR  65          1HG2      THR  65  -7.069   6.038  -1.893
  526   3HG2  THR  65          2HG2      THR  65  -6.382   4.606  -1.106
  527    H    GLY  66           H        GLY  66  -9.462   7.058   1.291
  528   1HA   GLY  66          1HA       GLY  66 -11.925   7.458   2.373
  529   2HA   GLY  66          2HA       GLY  66 -11.538   5.818   2.913
  530    H    ALA  67           H        ALA  67  -8.483   7.125   2.820
  531    HA   ALA  67           HA       ALA  67  -8.674   8.896   5.115
  532   1HB   ALA  67          1HB       ALA  67  -8.540   6.653   6.208
  533   2HB   ALA  67          2HB       ALA  67  -7.082   6.301   5.279
  534   3HB   ALA  67          3HB       ALA  67  -7.069   7.607   6.477
  535    H    ARG  68           H        ARG  68  -6.751  10.138   5.317
  536    HA   ARG  68           HA       ARG  68  -4.928  10.051   2.967
  537   1HB   ARG  68          1HB       ARG  68  -4.467  12.287   3.316
  538   2HB   ARG  68          2HB       ARG  68  -6.164  12.168   3.745
  539   1HG   ARG  68          1HG       ARG  68  -5.258  11.912   6.201
  540   2HG   ARG  68          2HG       ARG  68  -3.770  12.610   5.532
  541   1HD   ARG  68          1HD       ARG  68  -5.018  14.511   4.620
  542   2HD   ARG  68          2HD       ARG  68  -6.546  13.831   5.184
  543    HE   ARG  68           HE       ARG  68  -4.795  15.493   6.619
  544   1HH1  ARG  68          2HH2      ARG  68  -6.869  12.616   7.200
  545   2HH1  ARG  68          1HH2      ARG  68  -7.083  12.968   8.870
  546   1HH2  ARG  68          2HH1      ARG  68  -5.203  15.971   8.782
  547   2HH2  ARG  68          1HH1      ARG  68  -6.144  14.924   9.799
  548    H    THR  69           H        THR  69  -4.942   8.669   6.090
  549    HA   THR  69           HA       THR  69  -2.246   9.416   6.828
  550    HB   THR  69           HB       THR  69  -2.478   7.533   8.416
  551    HG1  THR  69           HG1      THR  69  -3.785   6.125   7.278
  552   1HG2  THR  69          2HG2      THR  69  -3.465   9.839   8.878
  553   2HG2  THR  69          3HG2      THR  69  -5.040   9.197   8.382
  554   3HG2  THR  69          1HG2      THR  69  -4.202   8.506   9.782
  555    H    VAL  70           H        VAL  70  -0.329   8.341   6.252
  556    HA   VAL  70           HA       VAL  70  -0.502   6.018   4.481
  557    HB   VAL  70           HB       VAL  70   2.143   6.720   4.433
  558   1HG1  VAL  70          2HG1      VAL  70  -0.146   7.817   2.802
  559   2HG1  VAL  70          3HG1      VAL  70   1.550   7.763   2.275
  560   3HG1  VAL  70          1HG1      VAL  70   0.658   6.266   2.570
  561   1HG2  VAL  70          3HG2      VAL  70   0.651   9.406   4.617
  562   2HG2  VAL  70          1HG2      VAL  70   1.831   8.807   5.812
  563   3HG2  VAL  70          2HG2      VAL  70   2.315   9.165   4.140
  564    HA   PRO  71           HA       PRO  71   1.621   4.368   3.976
  565   1HB   PRO  71          1HB       PRO  71   1.342   1.645   4.372
  566   2HB   PRO  71          2HB       PRO  71   2.821   2.554   4.785
  567   1HG   PRO  71          1HG       PRO  71   0.559   1.764   6.627
  568   2HG   PRO  71          2HG       PRO  71   2.322   1.590   6.889
  569   1HD   PRO  71          1HD       PRO  71   0.956   3.659   7.947
  570   2HD   PRO  71          2HD       PRO  71   2.596   3.898   7.282
  571    H    ARG  72           H        ARG  72   0.290   3.302   2.301
  572    HA   ARG  72           HA       ARG  72  -2.556   2.743   3.042
  573   1HB   ARG  72          1HB       ARG  72  -1.674   4.380   0.605
  574   2HB   ARG  72          2HB       ARG  72  -3.310   3.845   0.990
  575   1HG   ARG  72          1HG       ARG  72  -2.658   5.095   3.297
  576   2HG   ARG  72          2HG       ARG  72  -1.654   6.017   2.202
  577   1HD   ARG  72          1HD       ARG  72  -3.772   7.159   2.574
  578   2HD   ARG  72          2HD       ARG  72  -3.648   6.637   0.896
  579    HE   ARG  72           HE       ARG  72  -5.667   5.684   1.236
  580   1HH1  ARG  72          2HH2      ARG  72  -4.121   5.509   4.462
  581   2HH1  ARG  72          1HH2      ARG  72  -5.452   4.582   5.119
  582   1HH2  ARG  72          2HH1      ARG  72  -7.315   4.631   2.119
  583   2HH2  ARG  72          1HH1      ARG  72  -7.318   4.037   3.752
  584    H    VAL  73           H        VAL  73  -2.455   0.506   2.808
  585    HA   VAL  73           HA       VAL  73  -0.953  -0.657   0.573
  586    HB   VAL  73           HB       VAL  73  -2.731  -1.861   2.721
  587   1HG1  VAL  73          2HG1      VAL  73  -1.237  -3.251   0.432
  588   2HG1  VAL  73          3HG1      VAL  73  -1.920  -4.083   1.846
  589   3HG1  VAL  73          1HG1      VAL  73  -2.981  -3.268   0.710
  590   1HG2  VAL  73          3HG2      VAL  73   0.268  -1.898   2.221
  591   2HG2  VAL  73          1HG2      VAL  73  -0.585  -1.106   3.570
  592   3HG2  VAL  73          2HG2      VAL  73  -0.546  -2.864   3.430
  593    H    PHE  74           H        PHE  74  -1.702  -0.858  -1.345
  594    HA   PHE  74           HA       PHE  74  -4.594  -0.920  -1.908
  595   1HB   PHE  74          1HB       PHE  74  -2.267   0.151  -3.481
  596   2HB   PHE  74          2HB       PHE  74  -3.611  -0.575  -4.343
  597    HD1  PHE  74          1HD       PHE  74  -2.909   2.060  -1.756
  598    HD2  PHE  74          2HD       PHE  74  -5.462   0.696  -4.955
  599    HE1  PHE  74          1HE       PHE  74  -3.986   4.283  -1.860
  600    HE2  PHE  74          2HE       PHE  74  -6.497   2.940  -5.099
  601    HZ   PHE  74           HZ       PHE  74  -5.696   4.764  -3.617
  602    H    ILE  75           H        ILE  75  -4.971  -3.072  -1.699
  603    HA   ILE  75           HA       ILE  75  -3.295  -4.966  -3.267
  604    HB   ILE  75           HB       ILE  75  -5.130  -5.334  -0.964
  605   1HG1  ILE  75          1HG1      ILE  75  -3.789  -7.383  -0.606
  606   2HG1  ILE  75          2HG1      ILE  75  -2.941  -7.057  -2.122
  607   1HG2  ILE  75          2HG2      ILE  75  -5.242  -7.083  -3.449
  608   2HG2  ILE  75          3HG2      ILE  75  -5.602  -7.748  -1.874
  609   3HG2  ILE  75          1HG2      ILE  75  -6.594  -6.426  -2.500
  610   1HD1  ILE  75          3HD1      ILE  75  -2.127  -4.927  -0.938
  611   2HD1  ILE  75          1HD1      ILE  75  -2.687  -5.739   0.553
  612   3HD1  ILE  75          2HD1      ILE  75  -1.455  -6.492  -0.435
  613    H    GLY  76           H        GLY  76  -3.791  -4.772  -5.255
  614   1HA   GLY  76          1HA       GLY  76  -4.927  -4.683  -7.263
  615   2HA   GLY  76          2HA       GLY  76  -5.977  -5.805  -6.415
  616    H    LYS  77           H        LYS  77  -5.589  -2.480  -7.405
  617    HA   LYS  77           HA       LYS  77  -6.733  -0.648  -7.617
  618   1HB   LYS  77          1HB       LYS  77  -8.779  -2.736  -8.411
  619   2HB   LYS  77          2HB       LYS  77  -9.191  -1.034  -8.326
  620   1HG   LYS  77          1HG       LYS  77  -7.357  -0.460  -9.896
  621   2HG   LYS  77          2HG       LYS  77  -7.035  -2.188 -10.067
  622   1HD   LYS  77          1HD       LYS  77  -8.447  -1.919 -11.875
  623   2HD   LYS  77          2HD       LYS  77  -9.659  -2.254 -10.644
  624   1HE   LYS  77          1HE       LYS  77 -10.513  -0.323 -11.671
  625   2HE   LYS  77          2HE       LYS  77  -9.662   0.343 -10.270
  626   1HZ   LYS  77          3HZ       LYS  77  -7.712   0.570 -11.911
  627   2HZ   LYS  77          1HZ       LYS  77  -8.861   0.357 -13.091
  628   3HZ   LYS  77          2HZ       LYS  77  -8.977   1.616 -12.058
  629    H    ASP  78           H        ASP  78  -7.708  -2.601  -5.033
  630    HA   ASP  78           HA       ASP  78  -9.468  -0.434  -3.968
  631   1HB   ASP  78          1HB       ASP  78 -10.308  -2.794  -3.934
  632   2HB   ASP  78          2HB       ASP  78  -8.938  -3.239  -2.909
  633    H    CYS  79           H        CYS  79  -9.058  -0.019  -1.549
  634    HA   CYS  79           HA       CYS  79  -6.212  -0.246  -0.801
  635   1HB   CYS  79          1HB       CYS  79  -6.832   2.106  -1.472
  636   2HB   CYS  79          2HB       CYS  79  -7.973   2.120  -0.108
  637    HG   CYS  79           HG       CYS  79  -4.837   1.168   0.203
  638    H    ILE  80           H        ILE  80  -5.999  -1.364   1.115
  639    HA   ILE  80           HA       ILE  80  -8.472  -2.554   2.054
  640    HB   ILE  80           HB       ILE  80  -7.115  -4.201   2.978
  641   1HG1  ILE  80          1HG1      ILE  80  -4.476  -3.834   2.820
  642   2HG1  ILE  80          2HG1      ILE  80  -4.925  -2.134   2.956
  643   1HG2  ILE  80          2HG2      ILE  80  -7.152  -4.074   0.457
  644   2HG2  ILE  80          3HG2      ILE  80  -5.546  -3.324   0.526
  645   3HG2  ILE  80          1HG2      ILE  80  -5.780  -4.959   1.163
  646   1HD1  ILE  80          3HD1      ILE  80  -6.374  -3.179   5.044
  647   2HD1  ILE  80          1HD1      ILE  80  -5.077  -4.358   4.942
  648   3HD1  ILE  80          2HD1      ILE  80  -4.701  -2.630   5.185
  649    H    GLY  81           H        GLY  81  -6.350  -0.087   3.196
  650   1HA   GLY  81          1HA       GLY  81  -7.391   0.984   5.425
  651   2HA   GLY  81          2HA       GLY  81  -6.853  -0.618   5.981
  652    H    GLY  82           H        GLY  82  -5.524   1.343   7.094
  653   1HA   GLY  82          1HA       GLY  82  -3.254   2.174   5.414
  654   2HA   GLY  82          2HA       GLY  82  -3.826   2.886   6.929
  655    H    CYS  83           H        CYS  83  -3.298   1.840   8.936
  656    HA   CYS  83           HA       CYS  83  -0.900   0.091   8.772
  657   1HB   CYS  83          1HB       CYS  83  -0.678   2.697   9.258
  658   2HB   CYS  83          2HB       CYS  83  -1.094   2.201  10.905
  659    HG   CYS  83           HG       CYS  83   1.479   2.429  10.663
  660    H    SER  84           H        SER  84  -3.225   1.354  11.309
  661    HA   SER  84           HA       SER  84  -3.013  -0.880  13.038
  662   1HB   SER  84          1HB       SER  84  -5.054   1.252  12.432
  663   2HB   SER  84          2HB       SER  84  -5.641  -0.167  13.299
  664    HG   SER  84           HG       SER  84  -4.453   0.186  14.933
  665    H    ASP  85           H        ASP  85  -5.365  -0.248  10.457
  666    HA   ASP  85           HA       ASP  85  -6.858  -2.622  10.614
  667   1HB   ASP  85          1HB       ASP  85  -6.224  -0.719   8.259
  668   2HB   ASP  85          2HB       ASP  85  -7.580  -1.840   8.305
  669    H    LEU  86           H        LEU  86  -3.902  -1.765   8.853
  670    HA   LEU  86           HA       LEU  86  -3.865  -4.072   7.110
  671   1HB   LEU  86          1HB       LEU  86  -2.809  -1.921   6.576
  672   2HB   LEU  86          2HB       LEU  86  -1.713  -2.069   7.933
  673    HG   LEU  86           HG       LEU  86  -0.793  -2.484   5.663
  674   1HD1  LEU  86          2HD1      LEU  86   0.358  -3.257   7.720
  675   2HD1  LEU  86          3HD1      LEU  86  -0.358  -4.866   7.465
  676   3HD1  LEU  86          1HD1      LEU  86   0.737  -4.179   6.256
  677   1HD2  LEU  86          3HD2      LEU  86  -2.614  -3.788   4.675
  678   2HD2  LEU  86          1HD2      LEU  86  -1.091  -4.675   4.591
  679   3HD2  LEU  86          2HD2      LEU  86  -2.300  -5.132   5.800
  680    H    VAL  87           H        VAL  87  -2.378  -3.256  10.367
  681    HA   VAL  87           HA       VAL  87  -0.924  -5.627  10.595
  682    HB   VAL  87           HB       VAL  87  -2.047  -3.538  12.489
  683   1HG1  VAL  87          3HG1      VAL  87  -0.229  -5.883  13.113
  684   2HG1  VAL  87          1HG1      VAL  87  -0.555  -4.501  14.202
  685   3HG1  VAL  87          2HG1      VAL  87  -1.863  -5.603  13.757
  686   1HG2  VAL  87          3HG2      VAL  87  -0.120  -2.973  10.859
  687   2HG2  VAL  87          1HG2      VAL  87   0.146  -2.674  12.575
  688   3HG2  VAL  87          2HG2      VAL  87   0.847  -4.108  11.805
  689    H    SER  88           H        SER  88  -4.438  -4.845  11.533
  690    HA   SER  88           HA       SER  88  -4.798  -7.497  12.500
  691   1HB   SER  88          1HB       SER  88  -7.180  -7.267  11.705
  692   2HB   SER  88          2HB       SER  88  -6.603  -6.405  13.134
  693    HG   SER  88           HG       SER  88  -7.028  -4.606  12.164
  694    H    LEU  89           H        LEU  89  -5.254  -6.309   9.075
  695    HA   LEU  89           HA       LEU  89  -5.901  -8.867   8.209
  696   1HB   LEU  89          1HB       LEU  89  -4.522  -6.564   6.818
  697   2HB   LEU  89          2HB       LEU  89  -4.707  -8.101   6.062
  698    HG   LEU  89           HG       LEU  89  -7.190  -7.992   6.717
  699   1HD1  LEU  89          2HD1      LEU  89  -6.582  -5.045   6.721
  700   2HD1  LEU  89          3HD1      LEU  89  -8.202  -5.774   6.593
  701   3HD1  LEU  89          1HD1      LEU  89  -7.243  -6.049   8.043
  702   1HD2  LEU  89          3HD2      LEU  89  -6.016  -6.376   4.426
  703   2HD2  LEU  89          1HD2      LEU  89  -6.467  -8.098   4.416
  704   3HD2  LEU  89          2HD2      LEU  89  -7.719  -6.873   4.560
  705    H    GLN  90           H        GLN  90  -2.525  -7.670   8.905
  706    HA   GLN  90           HA       GLN  90  -1.342 -10.132   7.997
  707   1HB   GLN  90          1HB       GLN  90  -0.003  -8.089   8.500
  708   2HB   GLN  90          2HB       GLN  90  -0.372  -8.276  10.214
  709   1HG   GLN  90          1HG       GLN  90   0.735 -10.622  10.039
  710   2HG   GLN  90          2HG       GLN  90   1.303 -10.109   8.450
  711   1HE2  GLN  90          2HE2      GLN  90   4.210  -9.052  10.262
  712   2HE2  GLN  90          1HE2      GLN  90   3.563 -10.145   9.050
  713    H    GLN  91           H        GLN  91  -2.251  -9.113  11.372
  714    HA   GLN  91           HA       GLN  91  -1.444 -11.462  12.557
  715   1HB   GLN  91          1HB       GLN  91  -2.131  -8.829  13.217
  716   2HB   GLN  91          2HB       GLN  91  -3.402  -9.724  14.016
  717   1HG   GLN  91          1HG       GLN  91  -0.530 -10.622  14.283
  718   2HG   GLN  91          2HG       GLN  91  -1.023  -9.119  15.040
  719   1HE2  GLN  91          2HE2      GLN  91  -2.552 -12.723  16.507
  720   2HE2  GLN  91          1HE2      GLN  91  -1.581 -12.654  15.057
  721    H    SER  92           H        SER  92  -4.835 -10.440  11.703
  722    HA   SER  92           HA       SER  92  -5.993 -12.903  12.766
  723   1HB   SER  92          1HB       SER  92  -6.889 -10.362  11.467
  724   2HB   SER  92          2HB       SER  92  -7.716 -11.796  10.917
  725    HG   SER  92           HG       SER  92  -8.763 -10.976  12.637
  726    H    GLY  93           H        GLY  93  -4.102 -11.946   9.997
  727   1HA   GLY  93          1HA       GLY  93  -3.334 -13.299   8.324
  728   2HA   GLY  93          2HA       GLY  93  -4.531 -14.533   8.738
  729    H    GLU  94           H        GLU  94  -6.161 -11.431   8.467
  730    HA   GLU  94           HA       GLU  94  -7.503 -12.518   6.171
  731   1HB   GLU  94          1HB       GLU  94  -8.604 -11.350   7.934
  732   2HB   GLU  94          2HB       GLU  94  -7.682  -9.889   7.661
  733   1HG   GLU  94          1HG       GLU  94  -8.833  -9.484   5.553
  734   2HG   GLU  94          2HG       GLU  94  -9.555 -11.104   5.592
  735    H    LEU  95           H        LEU  95  -4.666 -10.528   6.472
  736    HA   LEU  95           HA       LEU  95  -4.618  -9.232   3.947
  737   1HB   LEU  95          1HB       LEU  95  -2.832  -9.457   6.105
  738   2HB   LEU  95          2HB       LEU  95  -1.978 -10.292   4.888
  739    HG   LEU  95           HG       LEU  95  -3.061  -7.458   4.794
  740   1HD1  LEU  95          1HD1      LEU  95  -0.233  -8.551   5.021
  741   2HD1  LEU  95          2HD1      LEU  95  -0.626  -6.847   4.793
  742   3HD1  LEU  95          3HD1      LEU  95  -1.156  -7.676   6.260
  743   1HD2  LEU  95          1HD2      LEU  95  -3.087  -8.388   2.491
  744   2HD2  LEU  95          2HD2      LEU  95  -1.991  -7.030   2.717
  745   3HD2  LEU  95          3HD2      LEU  95  -1.340  -8.676   2.657
  746    H    LEU  96           H        LEU  96  -3.670 -12.491   4.954
  747    HA   LEU  96           HA       LEU  96  -2.379 -13.295   2.496
  748   1HB   LEU  96          1HB       LEU  96  -3.615 -14.910   4.734
  749   2HB   LEU  96          2HB       LEU  96  -2.914 -15.607   3.288
  750    HG   LEU  96           HG       LEU  96  -0.835 -14.037   3.841
  751   1HD1  LEU  96          2HD1      LEU  96  -2.169 -14.345   6.566
  752   2HD1  LEU  96          3HD1      LEU  96  -0.461 -13.936   6.334
  753   3HD1  LEU  96          1HD1      LEU  96  -1.707 -12.833   5.766
  754   1HD2  LEU  96          1HD2      LEU  96  -0.801 -16.446   3.664
  755   2HD2  LEU  96          2HD2      LEU  96   0.183 -15.889   5.018
  756   3HD2  LEU  96          3HD2      LEU  96  -1.431 -16.604   5.317
  757    H    THR  97           H        THR  97  -5.734 -13.605   3.741
  758    HA   THR  97           HA       THR  97  -6.817 -14.892   1.438
  759    HB   THR  97           HB       THR  97  -8.293 -12.881   3.195
  760    HG1  THR  97           HG1      THR  97  -7.097 -15.256   4.016
  761   1HG2  THR  97          2HG2      THR  97  -9.520 -14.018   1.344
  762   2HG2  THR  97          3HG2      THR  97  -9.132 -15.585   2.088
  763   3HG2  THR  97          1HG2      THR  97 -10.153 -14.404   2.950
  764    H    ARG  98           H        ARG  98  -6.727 -11.388   2.354
  765    HA   ARG  98           HA       ARG  98  -7.896 -10.286   0.058
  766   1HB   ARG  98          1HB       ARG  98  -7.239  -9.151   2.208
  767   2HB   ARG  98          2HB       ARG  98  -5.582  -9.093   1.615
  768   1HG   ARG  98          1HG       ARG  98  -6.021  -7.316   0.337
  769   2HG   ARG  98          2HG       ARG  98  -7.339  -8.152  -0.506
  770   1HD   ARG  98          1HD       ARG  98  -7.526  -6.597   2.051
  771   2HD   ARG  98          2HD       ARG  98  -8.112  -6.139   0.430
  772    HE   ARG  98           HE       ARG  98  -9.457  -8.431   0.809
  773   1HH1  ARG  98          2HH2      ARG  98  -9.476  -5.427   2.582
  774   2HH1  ARG  98          1HH2      ARG  98 -10.400  -5.994   3.944
  775   1HH2  ARG  98          2HH1      ARG  98 -11.089  -9.091   2.312
  776   2HH2  ARG  98          1HH1      ARG  98 -11.485  -8.150   3.699
  777    H    LEU  99           H        LEU  99  -4.479 -11.148   0.595
  778    HA   LEU  99           HA       LEU  99  -3.504 -10.211  -1.942
  779   1HB   LEU  99          1HB       LEU  99  -2.567 -12.192   0.197
  780   2HB   LEU  99          2HB       LEU  99  -1.598 -11.925  -1.221
  781    HG   LEU  99           HG       LEU  99  -2.382  -9.645   0.607
  782   1HD1  LEU  99          2HD1      LEU  99   0.043 -11.497   0.639
  783   2HD1  LEU  99          3HD1      LEU  99  -0.066  -9.974   1.537
  784   3HD1  LEU  99          1HD1      LEU  99  -1.171 -11.301   1.914
  785   1HD2  LEU  99          1HD2      LEU  99  -0.248  -9.963  -1.536
  786   2HD2  LEU  99          2HD2      LEU  99  -1.681  -8.938  -1.611
  787   3HD2  LEU  99          3HD2      LEU  99  -0.400  -8.578  -0.438
  788    H    LYS 100           H        LYS 100  -4.474 -13.527  -0.832
  789    HA   LYS 100           HA       LYS 100  -3.840 -14.446  -3.494
  790   1HB   LYS 100          1HB       LYS 100  -4.304 -15.674  -0.995
  791   2HB   LYS 100          2HB       LYS 100  -5.552 -16.314  -2.052
  792   1HG   LYS 100          1HG       LYS 100  -3.725 -16.593  -3.863
  793   2HG   LYS 100          2HG       LYS 100  -2.534 -16.135  -2.679
  794   1HD   LYS 100          1HD       LYS 100  -2.862 -18.117  -1.375
  795   2HD   LYS 100          2HD       LYS 100  -4.432 -18.448  -2.081
  796   1HE   LYS 100          1HE       LYS 100  -1.838 -18.564  -3.678
  797   2HE   LYS 100          2HE       LYS 100  -2.519 -19.942  -2.814
  798   1HZ   LYS 100          1HZ       LYS 100  -4.582 -19.598  -4.140
  799   2HZ   LYS 100          2HZ       LYS 100  -3.788 -18.512  -5.076
  800   3HZ   LYS 100          3HZ       LYS 100  -3.263 -20.054  -5.025
  801    H    GLN 101           H        GLN 101  -6.726 -13.256  -2.066
  802    HA   GLN 101           HA       GLN 101  -8.562 -13.777  -4.127
  803   1HB   GLN 101          1HB       GLN 101  -8.919 -12.375  -2.005
  804   2HB   GLN 101          2HB       GLN 101  -8.192 -11.032  -2.882
  805   1HG   GLN 101          1HG       GLN 101 -10.535 -10.751  -2.968
  806   2HG   GLN 101          2HG       GLN 101 -10.002 -11.179  -4.586
  807   1HE2  GLN 101          2HE2      GLN 101 -12.729 -13.534  -2.708
  808   2HE2  GLN 101          1HE2      GLN 101 -12.253 -11.985  -2.052
  809    H    ILE 102           H        ILE 102  -5.632 -11.676  -4.281
  810    HA   ILE 102           HA       ILE 102  -6.214 -11.249  -7.182
  811    HB   ILE 102           HB       ILE 102  -4.938  -9.299  -7.146
  812   1HG1  ILE 102          1HG1      ILE 102  -4.563  -9.174  -4.145
  813   2HG1  ILE 102          2HG1      ILE 102  -3.541 -10.165  -5.091
  814   1HG2  ILE 102          2HG2      ILE 102  -7.269  -9.178  -6.361
  815   2HG2  ILE 102          3HG2      ILE 102  -6.688  -9.264  -4.669
  816   3HG2  ILE 102          1HG2      ILE 102  -6.224  -7.885  -5.684
  817   1HD1  ILE 102          1HD1      ILE 102  -3.960  -7.242  -5.727
  818   2HD1  ILE 102          2HD1      ILE 102  -2.619  -7.871  -4.756
  819   3HD1  ILE 102          3HD1      ILE 102  -2.758  -8.328  -6.462
  820    H    GLY 103           H        GLY 103  -5.111 -13.708  -5.953
  821   1HA   GLY 103          1HA       GLY 103  -3.760 -15.343  -6.710
  822   2HA   GLY 103          2HA       GLY 103  -3.423 -14.318  -8.103
  823    H    ALA 104           H        ALA 104  -2.520 -13.213  -4.900
  824    HA   ALA 104           HA       ALA 104   0.173 -12.585  -5.793
  825   1HB   ALA 104          3HB       ALA 104  -1.369 -12.584  -3.156
  826   2HB   ALA 104          1HB       ALA 104   0.165 -11.740  -3.388
  827   3HB   ALA 104          2HB       ALA 104  -1.317 -11.207  -4.269
  828    H    LEU 105           H        LEU 105  -1.025 -14.795  -3.006
  829    HA   LEU 105           HA       LEU 105   1.703 -15.359  -2.490
  830   1HB   LEU 105          1HB       LEU 105  -0.482 -17.266  -1.851
  831   2HB   LEU 105          2HB       LEU 105   0.950 -16.854  -0.979
  832    HG   LEU 105           HG       LEU 105  -1.514 -15.105  -1.049
  833   1HD1  LEU 105          3HD1      LEU 105  -1.713 -17.224   0.295
  834   2HD1  LEU 105          1HD1      LEU 105  -0.314 -16.715   1.241
  835   3HD1  LEU 105          2HD1      LEU 105  -1.813 -15.750   1.262
  836   1HD2  LEU 105          1HD2      LEU 105   1.064 -14.755   0.525
  837   2HD2  LEU 105          2HD2      LEU 105   0.515 -13.727  -0.808
  838   3HD2  LEU 105          3HD2      LEU 105  -0.415 -13.788   0.705
  839    H    GLN 106           H        GLN 106   2.895 -16.935  -3.297
  840    HA   GLN 106           HA       GLN 106   2.098 -17.511  -6.054
  841   1HB   GLN 106          2HB       GLN 106   3.953 -15.978  -5.487
  842   2HB   GLN 106          3HB       GLN 106   4.876 -17.325  -4.830
  843   1HG   GLN 106          2HG       GLN 106   5.024 -18.380  -7.005
  844   2HG   GLN 106          3HG       GLN 106   3.816 -17.290  -7.687
  845   1HE2  GLN 106          2HE2      GLN 106   7.137 -16.103  -8.897
  846   2HE2  GLN 106          1HE2      GLN 106   6.110 -17.529  -9.115
   
  No H/Q in entry =         846
   
  No H/Q in entry =         846