*HEADER   CYSTEINE MOTIF                          26-AUG-97   1HP8    
*TITLE    SOLUTION STRUCTURE OF HUMAN P8-MTCP1, A CYSTEINE-RICH       
*TITLE   2 PROTEIN ENCODED BY THE MTCP1 ONCOGENE,REVEALS A NEW        
*TITLE   3 ALPHA-HELICAL ASSEMBLY MOTIF, NMR, MINIMIZED AVERAGE       
*TITLE   4 STRUCTURE                                                  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: HU-P8;                                           
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: SYNTHETIC GENE;                                
*COMPND  5 MUTATION: N-TERMINAL INS(GSPGIH) AND C-TERMINAL INS(GIHRD) 
*COMPND  6 FOR CLONING FACILITY                                       
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 CELL: T-LYMPHOCYTE;                                        
*SOURCE  5 CELLULAR_LOCATION: MITOCHONDRIA;                           
*SOURCE  6 GENE: MTCP1;                                               
*SOURCE  7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  8 EXPRESSION_SYSTEM_STRAIN: BL21;                            
*SOURCE  9 EXPRESSION_SYSTEM_PLASMID: PGEX2T                          
*KEYWDS   HU-P8, LEUKEMIA, CYSTEINE MOTIF                             
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   P.BARTHE,L.CHICHE,M.P.STRUB,C.ROUMESTAND                    
*REVDAT  1   04-MAR-98 1HP8    0                                      
 

#Distance and angle DIANA restraint files
#----------------------------------------

# Distance restraints: upper limits in Angstroems
  1 MET  
         HN      1 MET  HA      2.80
         HN      1 MET  HB2     3.60
         HN      1 MET  QG      5.80
         HA      2 PRO  QD      3.80
         HB3     2 PRO  QD      4.80
  2 PRO  
         HA      3 GLN  HN      2.80
  3 GLN  
         HN      3 GLN  HA      2.80
         HN      3 GLN  HB2     3.60
         HN      3 GLN  HB3     3.60
         HN      3 GLN  QG      4.80
         HA      4 LYS  HN      3.60
         HB2     4 LYS  HN      4.80
         HB3     4 LYS  HN      4.80
         QG      4 LYS  HN      5.80
  4 LYS  
         HN      4 LYS  HA      2.80
         HN      4 LYS  QB      3.80
         HN      4 LYS  QG      5.80
         HN      4 LYS  QD      5.80
         HN      5 ASP  HN      4.80
         HA      5 ASP  HN      2.80
         QB      5 ASP  HN      4.80
         QG      5 ASP  HN      5.80
  5 ASP  
         HN      5 ASP  HA      2.80
         HN      5 ASP  HB2     3.60
         HN      5 ASP  HB3     3.60
         HN      6 PRO  QD      5.80
         HN      8 GLN  HB3     4.80
         HA      6 PRO  QG      5.80
         HA      6 PRO  QD      3.80
         HA      7 CYSS HN      4.80
         HA      8 GLN  HB3     4.80
         HA     46 ARG  QG      5.80
         HA     47 SER  HB2     3.60
         HA     47 SER  HB3     4.80
         HA     48 VAL  HN      4.80
         HB2     6 PRO  QD      5.80
         HB2     8 GLN  HN      4.80
         HB2     8 GLN  HB2     4.80
         HB2     8 GLN  QG      5.80
         HB2    48 VAL  HN      4.80
         HB2    48 VAL  QG2     5.80
         HB3     6 PRO  QD      5.80
         HB3     7 CYSS HN      4.80
         HB3     8 GLN  HN      4.80
         HB3     8 GLN  HB2     3.60
         HB3     8 GLN  HB3     3.60
         HB3     8 GLN  QG      5.80
         HB3    48 VAL  HN      4.80
         HB3    48 VAL  QG2     5.80
  6 PRO  
         HA      7 CYSS HA      4.80
         HA      8 GLN  HN      4.80
         HA     42 TYR  CZ      7.20
         QB      8 GLN  HN      5.80
         QB     42 TYR  CG      8.20
         QB     42 TYR  CZ      7.00
         QG     42 TYR  CG      8.20
         QG     42 TYR  CZ      8.20
         QD      7 CYSS QB      5.60
         QD     42 TYR  CG      8.20
         QD     42 TYR  CZ      8.20
  7 CYSS 
         HN      7 CYSS HA      2.80
         HN      7 CYSS HB2     2.80
         HN      7 CYSS HB3     3.60
         HN      8 GLN  HN      2.80
         HN      9 LYS  HN      4.80
         HN     49 VAL  QG2     4.80
         HA      7 CYSS HB3     2.80
         HA      8 GLN  HN      3.60
         HA      9 LYS  HN      3.60
         HA      9 LYS  QB      5.80
         HA     10 GLN  HN      3.60
         HA     10 GLN  HB2     4.80
         HA     10 GLN  HB3     4.80
         HA     10 GLN  QG      5.80
         HA     10 GLN  QE2     5.80
         HA     11 ALA  HN      4.80
         HA     11 ALA  QB      6.80
         HA     38 CYSS HB2     4.80
         HA     38 CYSS HB3     4.80
         HA     42 TYR  CZ      7.20
         HA     49 VAL  QG2     5.80
         HB2    49 VAL  HN      4.80
         HB2    49 VAL  QG1     5.80
         HB2    49 VAL  QG2     4.80
         HB3    11 ALA  QB      5.80
         HB3    38 CYSS HB2     4.80
         HB3    38 CYSS HB3     4.80
         HB3    49 VAL  QG1     5.80
         HB3    49 VAL  QG2     4.80
         QB     10 GLN  HN      5.80
         QB     11 ALA  HN      5.80
  8 GLN  
         HN      8 GLN  HA      2.80
         HN      8 GLN  HB2     3.60
         HN      8 GLN  HB3     3.60
         HN      8 GLN  QG      4.80
         HN      9 LYS  HN      2.80
         HN     10 GLN  HN      4.80
         HN     49 VAL  QG1     5.80
         HN     49 VAL  QG2     4.80
         HA      9 LYS  HN      3.60
         HA     11 ALA  HN      3.60
         HA     11 ALA  QB      3.80
         HA     12 CYS  HN      4.80
         HA     49 VAL  HN      4.80
         HA     49 VAL  QG1     4.80
         HA     49 VAL  QG2     4.80
         QG      9 LYS  HN      4.80
         QG     49 VAL  QG1     6.80
         QG     49 VAL  QG2     6.80
         QE2    11 ALA  QB      6.60
         QE2    49 VAL  QG1     6.80
  9 LYS  
         HN      9 LYS  HA      2.80
         HN      9 LYS  HB2     3.60
         HN      9 LYS  HB3     3.60
         HN      9 LYS  QG      5.80
         HN      9 LYS  QD      5.80
         HN     10 GLN  HN      2.80
         HN     11 ALA  HN      4.80
         HN     49 VAL  QG2     5.80
         HA     10 GLN  HN      3.60
         HA     12 CYS  HN      3.60
         HA     12 CYS  HB2     3.60
         HA     12 CYS  HB3     4.80
         HA     13 GLU  HN      4.80
         HB2    10 GLN  HN      3.60
         HB2    10 GLN  QE2     5.80
         HB3    10 GLN  HN      3.60
         QG     10 GLN  HN      5.80
         QG     13 GLU  QG      6.80
         QD     10 GLN  HN      5.80
 10 GLN  
         HN     10 GLN  HA      2.80
         HN     10 GLN  HB2     3.60
         HN     10 GLN  HB3     3.60
         HN     10 GLN  QG      4.80
         HN     11 ALA  HN      2.80
         HN     12 CYS  HN      4.80
         HN     35 LEU  HG      4.80
         HN     49 VAL  QG2     5.80
         HA     11 ALA  HN      3.60
         HA     12 CYS  HN      4.80
         HA     13 GLU  HN      3.60
         HA     13 GLU  QB      3.80
         HA     14 ILE  HN      4.80
         HA     31 VAL  QG2     5.80
         HA     35 LEU  QQD     7.20
         QG     11 ALA  HN      5.80
         QG     35 LEU  HA      5.80
         QG     38 CYSS HN      5.80
         QG     38 CYSS HB2     4.80
         QG     38 CYSS HB3     5.80
         QE2    38 CYSS HB2     5.80
         QE2    38 CYSS HB3     5.80
 11 ALA  
         HN     11 ALA  HA      2.80
         HN     12 CYS  HN      2.80
         HN     13 GLU  HN      4.80
         HN     35 LEU  QB      5.80
         HN     35 LEU  HG      4.80
         HN     35 LEU  QQD     6.20
         HN     49 VAL  QG1     5.80
         HN     49 VAL  QG2     5.80
         HA     12 CYS  HN      3.60
         HA     14 ILE  HN      3.60
         HA     14 ILE  HB      3.60
         HA     14 ILE  QD1     4.80
         HA     15 GLN  HN      4.80
         HA     35 LEU  HG      3.60
         QB     35 LEU  HG      5.80
         QB     35 LEU  QQD     7.20
         QB     49 VAL  HN      5.80
         QB     49 VAL  HA      5.80
         QB     49 VAL  HB      4.80
         QB     49 VAL  QG1     5.80
         QB     49 VAL  QG2     5.80
 12 CYS  
         HN     12 CYS  HA      2.80
         HN     12 CYS  HB2     3.60
         HN     12 CYS  HB3     3.60
         HN     13 GLU  HN      2.80
         HN     13 GLU  QG      5.80
         HN     14 ILE  HN      4.80
         HN     49 VAL  QG1     5.80
         HA     12 CYS  HB3     2.80
         HA     13 GLU  HN      3.60
         HA     14 ILE  HN      4.80
         HA     15 GLN  HN      3.60
         HA     15 GLN  HB2     3.60
         HA     16 LYS  HN      4.80
         HB2    13 GLU  HN      3.60
         HB3    13 GLU  HN      3.60
         HB3    13 GLU  QG      5.80
 13 GLU  
         HN     13 GLU  HA      2.80
         HN     13 GLU  QB      3.80
         HN     13 GLU  QG      4.80
         HN     14 ILE  HN      2.80
         HN     15 GLN  HN      4.80
         HA     14 ILE  HN      3.60
         HA     15 GLN  HN      4.80
         HA     16 LYS  HN      3.60
         HA     16 LYS  QB      3.80
         HA     16 LYS  QG      5.80
         HA     16 LYS  QD      5.80
         HA     16 LYS  QE      5.80
         HA     17 CYSS HN      4.80
         QB     17 CYSS HB3     5.80
         QB     31 VAL  QG2     5.80
         QG     14 ILE  HN      5.80
         QG     31 VAL  QG2     5.80
 14 ILE  
         HN     14 ILE  HA      2.80
         HN     14 ILE  HB      2.80
         HN     14 ILE  QG2     4.80
         HN     14 ILE  HG12    3.60
         HN     14 ILE  HG13    3.60
         HN     14 ILE  QD1     4.80
         HN     15 GLN  HN      2.80
         HN     16 LYS  HN      4.80
         HN     31 VAL  QG1     5.80
         HN     31 VAL  QG2     4.80
         HA     14 ILE  HG12    3.60
         HA     14 ILE  HG13    3.60
         HA     14 ILE  QD1     4.80
         HA     15 GLN  HN      3.60
         HA     16 LYS  HN      4.80
         HA     17 CYSS HN      3.60
         HA     17 CYSS HB2     4.80
         HA     17 CYSS HB3     3.60
         HA     18 LEU  HN      4.80
         HA     31 VAL  HB      4.80
         HA     31 VAL  QG1     3.80
         HA     31 VAL  QG2     4.80
         HB     15 GLN  HN      3.60
         HB     31 VAL  QG2     5.80
         QG2    32 ILE  HA      5.80
         QG1    31 VAL  QG1     6.80
         QG1    31 VAL  QG2     6.80
         QG1    35 LEU  HG      4.80
         QD1    15 GLN  HN      5.80
         QD1    31 VAL  HB      5.80
         QD1    31 VAL  QG1     5.80
         QD1    31 VAL  QG2     5.80
         QD1    35 LEU  HG      5.80
 15 GLN  
         HN     15 GLN  HA      2.80
         HN     15 GLN  HB2     3.60
         HN     15 GLN  HB3     3.60
         HN     15 GLN  QG      4.80
         HN     16 LYS  HN      2.80
         HN     16 LYS  QD      5.80
         HN     17 CYSS HN      4.80
         HA     16 LYS  HN      3.60
         HA     18 LEU  HN      3.60
         HA     18 LEU  QB      4.80
         HA     18 LEU  QQD     6.20
         HA     19 GLN  HN      4.80
         HA     19 GLN  QE2     5.80
         HB2    16 LYS  HN      3.60
         HB3    16 LYS  HN      4.80
         QG     16 LYS  HN      5.80
         QE2    18 LEU  QQD     8.20
 16 LYS  
         HN     16 LYS  HA      2.80
         HN     16 LYS  QB      3.80
         HN     16 LYS  QG      4.80
         HN     16 LYS  QD      5.80
         HN     17 CYSS HN      2.80
         HN     18 LEU  HN      4.80
         HA     17 CYSS HN      3.60
         HA     19 GLN  HN      3.60
         HA     19 GLN  QB      4.80
         HA     20 ALA  HN      4.80
         HA     23 TYR  CZ      7.20
         QB     17 CYSS HN      3.80
         QB     19 GLN  HN      5.80
         QG     17 CYSS HN      5.80
         QD     17 CYSS HN      5.80
 17 CYSS 
         HN     17 CYSS HA      2.80
         HN     17 CYSS HB2     3.60
         HN     17 CYSS HB3     3.60
         HN     18 LEU  HN      2.80
         HN     20 ALA  QB      5.80
         HN     31 VAL  QG1     5.80
         HN     31 VAL  QG2     5.80
         HA     17 CYSS HB2     2.80
         HA     18 LEU  HN      3.60
         HA     20 ALA  HN      3.60
         HA     20 ALA  QB      4.80
         HA     21 ASN  HN      4.80
         HA     21 ASN  QD2     5.80
         HB2    18 LEU  HN      4.80
         HB2    20 ALA  QB      5.80
         HB2    28 CYSS HA      4.80
         HB2    31 VAL  QG1     5.80
         HB2    31 VAL  QG2     5.80
         HB3    18 LEU  HN      3.60
         HB3    28 CYSS HA      4.80
         HB3    31 VAL  HB      4.80
         HB3    31 VAL  QG1     5.80
         HB3    31 VAL  QG2     5.80
 18 LEU  
         HN     18 LEU  HA      2.80
         HN     18 LEU  QB      3.80
         HN     18 LEU  HG      4.80
         HN     18 LEU  QQD     4.80
         HN     19 GLN  HN      2.80
         HN     20 ALA  HN      4.80
         HN     23 TYR  CG      7.20
         HN     31 VAL  QG1     5.80
         HA     18 LEU  HG      2.80
         HA     19 GLN  HN      3.60
         HA     20 ALA  HN      4.80
         HA     21 ASN  HN      3.60
         HA     21 ASN  HB2     3.60
         HA     21 ASN  HB3     4.80
         HA     23 TYR  HN      3.60
         HA     23 TYR  HA      3.60
         HA     23 TYR  CG      6.00
         HA     23 TYR  CZ      7.20
         QB     19 GLN  HN      4.80
         QB     21 ASN  HN      5.80
         QB     23 TYR  HN      5.80
         QB     23 TYR  CG      7.00
         QB     23 TYR  CZ      8.20
         HG     19 GLN  QE2     5.80
         HG     23 TYR  HN      4.80
         HG     23 TYR  HA      2.80
         HG     23 TYR  QB      5.80
         HG     23 TYR  CG      6.00
         HG     23 TYR  CZ      7.20
         HG     24 MET  HN      3.60
         HG     24 MET  HA      4.80
         HG     25 GLU  HN      4.80
         HG     25 GLU  HA      3.60
         HG     25 GLU  HB2     4.80
         HG     25 GLU  QG      5.80
         HG     28 CYSS HN      4.80
         HG     28 CYSS HB3     4.80
         QQD    19 GLN  HN      6.20
         QQD    23 TYR  HN      6.20
         QQD    23 TYR  HA      7.20
         QQD    23 TYR  HB2     7.20
         QQD    23 TYR  QB      8.20
         QQD    23 TYR  CG      8.40
         QQD    23 TYR  CZ      8.40
         QQD    25 GLU  HN      7.20
         QQD    25 GLU  HB2     7.20
         QQD    25 GLU  HB3     7.20
         QQD    25 GLU  QG      7.20
         QQD    28 CYSS HB3     7.20
 19 GLN  
         HN     19 GLN  HA      2.80
         HN     19 GLN  QB      3.80
         HN     19 GLN  QG      4.80
         HN     20 ALA  HN      2.80
         HN     20 ALA  QB      5.80
         HN     21 ASN  HN      4.80
         HN     23 TYR  CG      7.20
         HN     23 TYR  CZ      7.20
         HA     20 ALA  HN      3.60
         HA     21 ASN  HN      4.80
         HA     22 SER  HN      4.80
         HA     23 TYR  HN      4.80
         HA     23 TYR  CG      6.00
         HA     23 TYR  CZ      5.20
         QB     20 ALA  HN      3.80
         QB     23 TYR  CZ      7.20
         QG     20 ALA  HN      5.80
         QG     23 TYR  CG      7.20
         QG     23 TYR  CZ      6.00
 20 ALA  
         HN     20 ALA  HA      2.80
         HN     21 ASN  HN      2.80
         HA     21 ASN  HN      3.60
         QB     21 ASN  HA      5.80
         QB     21 ASN  HB2     5.80
         QB     21 ASN  QD2     6.80
 21 ASN  
         HN     21 ASN  HB2     3.60
         HN     21 ASN  HB3     3.60
         HN     22 SER  HN      2.80
         HN     22 SER  HA      4.80
         HN     23 TYR  HN      3.60
         HN     23 TYR  HA      4.80
         HA     21 ASN  HB3     2.80
         HA     22 SER  HN      3.60
         HA     23 TYR  HN      4.80
         HA     24 MET  HN      4.80
         HA     24 MET  HB2     4.80
         HA     24 MET  QE      4.80
         HA     27 LYS  QB      5.80
         HA     27 LYS  QG      5.80
         HA     27 LYS  QD      5.80
         HB2    21 ASN  QD2     3.50
         HB3    22 SER  HN      4.80
         HB3    27 LYS  HN      4.80
         HB3    27 LYS  QB      4.80
 22 SER  
         HN     22 SER  HA      2.80
         HN     23 TYR  HN      2.80
         HN     23 TYR  CG      6.00
         HN     23 TYR  CZ      7.20
         HA     23 TYR  HN      3.60
         HA     23 TYR  CG      6.00
         HA     23 TYR  CZ      7.20
         QB     23 TYR  CG      8.20
         QB     23 TYR  CZ      8.20
         QB     24 MET  HN      4.80
         QB     24 MET  QG      6.80
         QB     24 MET  QE      6.80
 23 TYR  
         HN     23 TYR  HA      2.80
         HN     23 TYR  QB      3.80
         HN     23 TYR  CZ      6.00
         HN     24 MET  HN      2.80
         HA     24 MET  HN      3.60
 24 MET  
         HN     24 MET  HA      2.80
         HN     24 MET  HB2     3.60
         HN     24 MET  HB3     3.60
         HN     24 MET  QG      3.80
         HN     25 GLU  HN      4.80
         HA     24 MET  HB3     2.80
         HA     25 GLU  HN      2.80
         HA     25 GLU  HA      4.80
         HA     26 SER  HN      4.80
         HA     27 LYS  QG      5.80
         QG     25 GLU  HN      5.80
         QG     27 LYS  QG      6.80
         QE     27 LYS  QG      5.80
         QE     27 LYS  QD      6.80
         QE     27 LYS  QE      5.80
 25 GLU  
         HN     25 GLU  HA      2.80
         HN     25 GLU  HB2     2.80
         HN     25 GLU  HB3     3.60
         HN     25 GLU  QG      4.80
         HN     26 SER  HN      3.60
         HN     27 LYS  HN      4.80
         HA     26 SER  HN      3.60
         HA     27 LYS  HN      4.80
         HA     28 CYSS HN      3.60
         HA     28 CYSS HA      4.80
         HA     28 CYSS HB2     2.80
         HA     28 CYSS HB3     3.60
         HA     29 GLN  QE2     5.80
         HA     32 ILE  QD1     5.80
         HB2    26 SER  HN      4.80
         HB2    29 GLN  QE2     6.80
         HB3    26 SER  HN      3.60
         QG     26 SER  HN      5.80
 26 SER  
         HN     26 SER  HA      2.80
         HN     27 LYS  HN      3.60
         HN     28 CYSS HN      4.80
         HA     27 LYS  HN      3.60
         HA     28 CYSS HN      4.80
         HA     29 GLN  QG      4.80
         HA     29 GLN  QE2     4.80
         QB     28 CYSS HN      5.80
 27 LYS  
         HN     27 LYS  HA      2.80
         HN     27 LYS  QG      4.80
         HN     27 LYS  QD      5.80
         HN     28 CYSS HN      2.80
         HN     29 GLN  HN      4.80
         HA     28 CYSS HN      3.60
         HA     28 CYSS HA      4.80
         HA     29 GLN  HN      4.80
         QB     28 CYSS HN      5.80
         QB     28 CYSS HA      5.80
         QG     28 CYSS HN      5.80
 28 CYSS 
         HN     28 CYSS HA      2.80
         HN     28 CYSS HB2     3.60
         HN     28 CYSS HB3     3.60
         HN     29 GLN  HN      2.80
         HN     31 VAL  QG1     5.80
         HN     32 ILE  QD1     5.80
         HA     28 CYSS HB3     2.80
         HA     29 GLN  HN      3.60
         HA     30 ALA  HN      4.80
         HA     30 ALA  QB      5.80
         HA     31 VAL  HN      3.60
         HA     31 VAL  HB      4.80
         HA     31 VAL  QG1     4.80
         HA     31 VAL  QG2     5.80
         HA     32 ILE  HN      4.80
         HA     32 ILE  QD1     5.80
         HB2    29 GLN  HN      4.80
         HB2    31 VAL  QG1     5.80
         HB2    32 ILE  QD1     5.80
         HB3    29 GLN  HN      4.80
         HB3    31 VAL  QG1     4.80
 29 GLN  
         HN     29 GLN  HA      2.80
         HN     29 GLN  QB      3.80
         HN     29 GLN  QG      4.80
         HN     30 ALA  HN      3.60
         HA     30 ALA  HN      3.60
         HA     32 ILE  HN      3.60
         HA     32 ILE  HB      3.60
         HA     32 ILE  QG2     4.80
         HA     32 ILE  QD1     4.80
         HA     33 GLN  HN      4.80
         QG     30 ALA  HN      5.80
         QE2    32 ILE  QG2     6.80
         QE2    32 ILE  QD1     5.80
 30 ALA  
         HN     30 ALA  HA      2.80
         HN     31 VAL  HN      2.80
         HN     31 VAL  QG1     5.80
         HN     32 ILE  HN      4.80
         HA     31 VAL  HN      3.60
         HA     32 ILE  HN      4.80
         HA     33 GLN  HN      3.60
         HA     33 GLN  QB      4.80
         HA     33 GLN  QE2     5.80
         HA     34 GLU  HN      4.80
         QB     31 VAL  HA      5.80
         QB     31 VAL  QG1     6.80
         QB     31 VAL  QG2     6.80
         QB     33 GLN  HN      5.80
         QB     33 GLN  QB      6.80
 31 VAL  
         HN     31 VAL  HA      2.80
         HN     31 VAL  HB      3.60
         HN     31 VAL  QG1     4.80
         HN     31 VAL  QG2     4.80
         HN     32 ILE  HN      2.80
         HN     32 ILE  HB      4.80
         HN     33 GLN  HN      4.80
         HA     32 ILE  HN      3.60
         HA     34 GLU  HN      3.60
         HA     34 GLU  HB2     4.80
         HA     34 GLU  HB3     3.60
         HA     35 LEU  HN      4.80
         QG1    32 ILE  HN      4.80
         QG1    34 GLU  HN      5.80
         QG2    32 ILE  HN      5.80
         QG2    34 GLU  HN      5.80
         QG2    35 LEU  HG      5.80
 32 ILE  
         HN     32 ILE  HA      2.80
         HN     32 ILE  QG2     4.80
         HN     32 ILE  QD1     4.80
         HN     33 GLN  HN      2.80
         HN     34 GLU  HN      4.80
         HA     33 GLN  HN      3.60
         HA     34 GLU  HN      4.80
         HA     35 LEU  HN      3.60
         HA     35 LEU  QB      4.80
         HA     35 LEU  HG      4.80
         HA     36 ARG  HN      4.80
         HA     53 PHE  CZ      7.20
         HA     53 PHE  HZ      4.80
         HB     33 GLN  HN      3.60
         QG2    33 GLN  HN      4.80
         QG2    33 GLN  QE2     6.80
         QG2    35 LEU  HN      5.80
         QG2    36 ARG  HN      5.80
         QG2    36 ARG  QD      6.80
         QG2    36 ARG  HE      5.80
         QG2    53 PHE  CG      7.20
         QG2    53 PHE  CZ      7.20
         QG2    53 PHE  HZ      4.80
         QD1    33 GLN  HN      5.80
 33 GLN  
         HN     33 GLN  HA      2.80
         HN     33 GLN  QB      3.60
         HN     33 GLN  QG      4.80
         HN     34 GLU  HN      2.80
         HN     35 LEU  HN      4.80
         HA     34 GLU  HN      3.60
         HA     36 ARG  HN      3.60
         HA     36 ARG  QB      4.80
         HA     36 ARG  QD      4.80
         HA     36 ARG  HE      4.80
         HA     37 LYS  HN      4.80
         QG     34 GLU  HN      5.80
         QG     34 GLU  HA      5.80
         QE2    36 ARG  QG      6.80
         QE2    36 ARG  QD      6.80
 34 GLU  
         HN     34 GLU  HA      2.80
         HN     34 GLU  HB2     3.60
         HN     34 GLU  HB3     2.80
         HN     34 GLU  QG      4.80
         HN     35 LEU  HN      2.80
         HN     35 LEU  QB      5.80
         HN     36 ARG  HN      4.80
         HA     35 LEU  HN      3.60
         HA     37 LYS  HN      3.60
         HA     37 LYS  QB      4.80
         HA     37 LYS  QE      5.80
         HA     38 CYSS HN      4.80
         HB2    35 LEU  HN      4.80
         HB3    35 LEU  HN      3.60
         QG     35 LEU  HN      4.80
         QG     37 LYS  HN      5.80
 35 LEU  
         HN     35 LEU  HA      2.80
         HN     35 LEU  QB      3.80
         HN     35 LEU  HG      4.80
         HN     35 LEU  QQD     5.20
         HN     36 ARG  HN      2.80
         HN     37 LYS  HN      4.80
         HN     53 PHE  CZ      6.00
         HN     53 PHE  HZ      4.80
         HA     36 ARG  HN      3.60
         HA     38 CYSS HN      3.60
         HA     38 CYSS HB2     4.80
         HA     38 CYSS HB3     4.80
         HA     39 CYSS HN      4.80
         HA     53 PHE  CG      7.20
         HA     53 PHE  CZ      7.20
         QB     36 ARG  HN      4.80
         QB     53 PHE  CG      7.00
         QB     53 PHE  CZ      7.00
         QB     53 PHE  HZ      5.80
         HG     53 PHE  CG      7.20
         HG     53 PHE  CZ      7.20
         HG     53 PHE  HZ      4.80
         QQD    36 ARG  HN      6.20
         QQD    38 CYSS HB2     7.20
         QQD    38 CYSS HB3     7.20
         QQD    39 CYSS HN      6.20
         QQD    53 PHE  CG      8.40
         QQD    53 PHE  CZ      8.40
         QQD    53 PHE  HZ      7.20
 36 ARG  
         HN     36 ARG  HA      2.80
         HN     36 ARG  QB      3.80
         HN     36 ARG  QG      4.80
         HN     36 ARG  QD      5.80
         HN     37 LYS  HN      2.80
         HN     38 CYSS HN      4.80
         HN     53 PHE  CZ      7.20
         HN     53 PHE  HZ      4.80
         HA     37 LYS  HN      3.60
         HA     38 CYSS HN      4.80
         HA     39 CYSS HN      3.60
         HA     39 CYSS HB2     3.60
         HA     39 CYSS HB3     4.80
         HA     40 ALA  HN      4.80
         HA     53 PHE  CG      6.00
         HA     53 PHE  CZ      6.00
         HA     53 PHE  HZ      4.80
         QB     39 CYSS HN      5.80
         QB     53 PHE  HZ      5.80
         QG     37 LYS  HN      4.80
         QG     53 PHE  CG      7.00
         QG     53 PHE  CZ      7.00
         QG     53 PHE  HZ      5.80
         QD     37 LYS  HN      5.80
         QD     53 PHE  CG      7.00
         QD     53 PHE  CZ      7.00
         QD     53 PHE  HZ      5.80
         HE     60 ASN  QD2     5.80
 37 LYS  
         HN     37 LYS  HA      2.80
         HN     37 LYS  QG      4.80
         HN     37 LYS  QD      4.80
         HN     38 CYSS HN      2.80
         HN     38 CYSS HB3     4.80
         HN     39 CYSS HN      4.80
         HA     38 CYSS HN      3.60
         HA     39 CYSS HN      4.80
         HA     40 ALA  HN      3.60
         HA     40 ALA  QB      4.80
         QB     38 CYSS HN      4.80
         QG     38 CYSS HN      5.80
         QD     38 CYSS HN      5.80
 38 CYSS 
         HN     38 CYSS HA      2.80
         HN     38 CYSS HB2     3.60
         HN     38 CYSS HB3     2.80
         HN     39 CYSS HN      2.80
         HN     39 CYSS HB2     4.80
         HA     38 CYSS HB2     2.80
         HA     39 CYSS HN      3.60
         HA     39 CYSS HA      4.80
         HA     41 GLN  QG      5.80
         HA     41 GLN  QE2     5.80
         HB2    39 CYSS HN      4.80
         HB3    39 CYSS HN      3.60
 39 CYSS 
         HN     39 CYSS HA      2.80
         HN     39 CYSS HB2     2.80
         HN     39 CYSS HB3     3.60
         HN     40 ALA  HN      2.80
         HN     40 ALA  QB      5.80
         HN     41 GLN  HN      4.80
         HN     42 TYR  CG      7.20
         HA     39 CYSS HB3     2.80
         HA     40 ALA  HN      3.60
         HA     41 GLN  HN      3.60
         HA     42 TYR  HN      4.80
         HA     42 TYR  CG      6.00
         HA     42 TYR  CZ      7.20
         HB2    40 ALA  HN      3.60
         HB2    53 PHE  CG      6.00
         HB3    40 ALA  HN      4.80
 40 ALA  
         HN     40 ALA  HA      2.80
         HN     41 GLN  HN      2.80
         HN     41 GLN  HB2     4.80
         HN     42 TYR  HN      4.80
         HN     42 TYR  CG      7.20
         HA     41 GLN  HN      3.60
         HA     42 TYR  HN      4.80
         HA     42 TYR  CG      7.20
         HA     54 GLU  QG      5.80
 41 GLN  
         HN     41 GLN  HA      2.80
         HN     41 GLN  HB2     3.60
         HN     41 GLN  HB3     2.80
         HN     41 GLN  QG      4.80
         HN     42 TYR  HN      2.80
         HN     42 TYR  HA      4.80
         HN     42 TYR  CG      5.20
         HN     42 TYR  CZ      6.00
         HA     41 GLN  HB2     2.80
         HA     42 TYR  HN      3.60
         HA     42 TYR  CG      7.20
         HA     42 TYR  CZ      7.20
         HB2    42 TYR  HN      4.80
         HB2    42 TYR  CG      5.20
         HB2    42 TYR  CZ      6.00
         HB3    42 TYR  HN      3.60
         HB3    42 TYR  CG      6.00
         HB3    42 TYR  CZ      5.20
         QG     42 TYR  CG      7.00
         QG     42 TYR  CZ      6.80
 42 TYR  
         HN     42 TYR  HA      2.80
         HN     42 TYR  HB2     3.60
         HA     42 TYR  HB3     2.80
         HA     43 PRO  QG      5.80
         HA     43 PRO  QD      3.80
         HA     46 ARG  QB      5.80
         HA     46 ARG  QG      5.80
         HA     46 ARG  QD      5.80
         HB2    43 PRO  QD      5.80
         HB2    46 ARG  QB      5.80
         HB2    46 ARG  QG      5.80
         HB3    43 PRO  QD      5.80
         HB3    46 ARG  HN      4.80
         CG     43 PRO  QD      6.20
         CG     46 ARG  QG      6.20
         CZ     43 PRO  QD      8.20
 43 PRO  
         HA     44 LYS  HN      2.80
         HA     44 LYS  HA      4.80
         QD     46 ARG  HN      5.80
 44 LYS  
         HN     44 LYS  HA      2.80
         HN     44 LYS  QB      3.80
         HN     44 LYS  QG      4.80
         HN     44 LYS  QD      4.80
         HN     45 GLY  HN      3.60
         HN     46 ARG  HN      4.80
         HA     45 GLY  HN      3.60
         HA     46 ARG  HN      3.60
         QB     45 GLY  HN      5.80
         QG     45 GLY  HN      5.80
         QD     45 GLY  HN      5.80
 45 GLY  
         HN     46 ARG  HN      2.80
         HN     47 SER  HN      4.80
 46 ARG  
         HN     46 ARG  HA      2.80
         HN     46 ARG  QB      3.80
         HN     46 ARG  QG      4.80
         HN     46 ARG  QD      5.80
         HN     47 SER  HN      2.80
         HA     47 SER  HN      3.60
         QG     47 SER  HN      5.80
 47 SER  
         HN     47 SER  HA      2.80
         HN     47 SER  HB2     3.60
         HN     47 SER  HB3     3.60
         HN     48 VAL  HN      4.80
         HN     50 CYSS HB3     4.80
         HA     48 VAL  HN      3.60
         HA     49 VAL  HN      4.80
         HA     50 CYSS HN      4.80
         HB2    47 SER  HG      2.80
         HB2    48 VAL  HN      3.60
         HB3    48 VAL  HN      4.80
         HB3    50 CYSS HN      4.80
         HG     48 VAL  HN      4.80
         HG     49 VAL  HN      3.60
         HG     49 VAL  QG1     5.80
         HG     49 VAL  QG2     5.80
         HG     50 CYSS HN      4.80
 48 VAL  
         HN     48 VAL  HA      2.80
         HN     48 VAL  HB      2.80
         HN     49 VAL  HN      2.80
         HN     50 CYSS HN      4.80
         HN     51 SER  HN      4.80
         HA     49 VAL  HN      3.60
         HA     50 CYSS HN      4.80
         HA     51 SER  HN      3.60
         HA     51 SER  QB      4.80
         HA     52 GLY  HN      4.80
         HB     49 VAL  HN      3.60
         QG1    49 VAL  HN      5.80
         QG1    51 SER  HN      5.80
         QG2    49 VAL  HN      5.80
 49 VAL  
         HN     49 VAL  HA      2.80
         HN     49 VAL  HB      3.60
         HN     49 VAL  QG1     4.80
         HN     49 VAL  QG2     4.80
         HN     50 CYSS HN      2.80
         HN     50 CYSS QB      5.80
         HN     51 SER  HN      4.80
         HA     49 VAL  HB      2.80
         HA     50 CYSS HN      3.60
         HA     52 GLY  HN      3.60
         HB     50 CYSS HN      4.80
         QG1    50 CYSS HN      5.80
         QG2    50 CYSS HN      4.80
         QG2    50 CYSS HA      5.80
         QG2    51 SER  HN      5.80
         QG2    52 GLY  HN      5.80
 50 CYSS 
         HN     50 CYSS HA      2.80
         HN     50 CYSS HB2     2.80
         HN     50 CYSS HB3     2.80
         HN     51 SER  HN      2.80
         HN     51 SER  QB      5.80
         HN     52 GLY  HN      4.80
         HA     50 CYSS HB2     2.80
         HA     51 SER  HN      3.60
         HA     53 PHE  HN      3.60
         HA     53 PHE  HB2     3.60
         HA     53 PHE  HB3     3.60
         HA     53 PHE  CG      6.00
         HA     53 PHE  CZ      7.20
         HB2    51 SER  HN      4.80
         HB3    51 SER  HN      4.80
 51 SER  
         HN     51 SER  HA      2.80
         HN     52 GLY  HN      2.80
         HA     52 GLY  HN      3.60
         HA     54 GLU  HN      4.80
         HA     54 GLU  QB      4.80
         HA     54 GLU  QG      5.80
 52 GLY  
         HN     53 PHE  HN      2.80
         HN     53 PHE  CG      7.20
         QA     53 PHE  CG      7.00
         QA     54 GLU  HN      5.80
         QA     55 LYS  HN      4.80
         QA     55 LYS  QB      5.80
         QA     56 GLU  HN      5.80
 53 PHE  
         HN     53 PHE  HA      2.80
         HN     53 PHE  HB2     3.60
         HN     53 PHE  HB3     2.80
         HN     54 GLU  HN      2.80
         HA     54 GLU  HN      3.60
         HA     55 LYS  HN      4.80
         HA     56 GLU  HN      3.60
         HA     56 GLU  QB      4.80
         HA     57 GLU  HN      4.80
         HB2    54 GLU  HN      3.60
         HB3    54 GLU  HN      3.60
         CG     54 GLU  HN      6.00
         CG     54 GLU  QG      7.00
         HZ     56 GLU  QB      5.80
 54 GLU  
         HN     54 GLU  HA      2.80
         HN     54 GLU  QB      3.80
         HN     54 GLU  QG      4.80
         HN     55 LYS  HN      2.80
         HA     55 LYS  HN      3.60
         HA     57 GLU  QB      4.80
         QG     55 LYS  HN      5.80
 55 LYS  
         HN     55 LYS  HA      2.80
         HN     56 GLU  HN      2.80
         HN     57 GLU  HN      4.80
         HA     56 GLU  HN      3.60
         HA     57 GLU  HN      4.80
         HA     58 GLU  HN      3.60
         HA     58 GLU  QB      4.80
         HA     59 GLU  HN      4.80
         QB     56 GLU  HN      4.80
         QG     56 GLU  HN      5.80
 56 GLU  
         HN     56 GLU  HA      2.80
         HN     56 GLU  QB      3.80
         HN     56 GLU  QG      5.80
         HN     57 GLU  HN      2.80
         HA     57 GLU  HN      3.60
         HA     59 GLU  HN      3.60
         HA     59 GLU  QB      4.80
         QB     57 GLU  HN      3.80
         QB     60 ASN  QD2     5.80
         QG     57 GLU  HN      5.80
         QG     60 ASN  QD2     5.80
 57 GLU  
         HN     57 GLU  HA      2.80
         HN     57 GLU  QB      3.80
         HN     57 GLU  QG      5.80
         HN     58 GLU  HN      2.80
         HA     58 GLU  HN      3.60
         HA     60 ASN  HN      3.60
         HA     60 ASN  QB      4.80
         HA     60 ASN  QD2     4.80
         QB     58 GLU  HN      3.80
 58 GLU  
         HN     58 GLU  HA      2.80
         HN     58 GLU  QB      3.80
         HN     58 GLU  QG      5.80
         HN     59 GLU  HN      2.80
         HN     60 ASN  HN      4.80
         HA     59 GLU  HN      3.60
         HA     61 LEU  HN      3.60
         HA     61 LEU  QB      5.80
         QB     59 GLU  HN      3.80
 59 GLU  
         HN     59 GLU  HA      2.80
         HN     59 GLU  QB      3.80
         HN     59 GLU  QG      5.80
         HN     60 ASN  HN      2.80
         HA     60 ASN  HN      3.60
         HA     60 ASN  HA      4.80
         HA     60 ASN  QD2     5.80
         QB     60 ASN  HN      3.80
         QG     60 ASN  HN      4.80
         QG     60 ASN  QD2     5.80
 60 ASN  
         HN     60 ASN  HA      2.80
         HN     60 ASN  QB      3.80
         HN     61 LEU  HN      2.80
         HA     61 LEU  HN      3.60
         HA     62 THR  HN      4.80
         HA     63 ARG  HN      3.60
         HA     63 ARG  QB      4.80
         HA     64 LYS  HN      4.80
         QB     61 LEU  HN      3.80
         QB     63 ARG  HN      5.80
 61 LEU  
         HN     61 LEU  HA      2.80
         HN     61 LEU  QB      3.80
         HN     61 LEU  HG      3.60
         HN     61 LEU  QQD     4.80
         HN     62 THR  QG2     5.80
         HA     62 THR  HN      3.60
         QQD    62 THR  HN      6.20
 62 THR  
         HN     62 THR  HA      2.80
         HN     62 THR  HB      3.60
         HN     62 THR  QG2     4.80
         HA     63 ARG  HN      3.60
         HB     63 ARG  HN      3.60
         QG2    63 ARG  HN      4.80
 63 ARG  
         HN     63 ARG  HA      2.80
         HN     63 ARG  QB      3.80
         HN     63 ARG  QG      5.80
         HN     64 LYS  HN      3.60
         HA     64 LYS  HN      3.60
         QB     64 LYS  HN      3.80
 64 LYS  
         HN     64 LYS  HA      2.80
         HN     64 LYS  QB      3.80
         HN     64 LYS  QG      5.80
         HA     65 SER  HN      2.80
         QG     65 SER  HN      5.80
 65 SER  
         HN     65 SER  HA      2.80
         HA     66 ALA  HN      2.80
         QB     66 ALA  HN      3.80
 66 ALA  
         HN     66 ALA  HA      2.80
         HA     67 SER  HN      2.80
 67 SER  
         HN     67 SER  HA      2.80
         HN     67 SER  QB      3.80
         HA     68 LYS  HN      2.80
 68 LYS  
         HN     68 LYS  HA      2.80

# Dihedral angle restraints: values in degrees
#                  lower   upper

  05 ASP   PHI    -145.0   -95.0
  07 CYS   PHI    -145.0   -95.0
  08 GLN   PHI     -80.0   -40.0
  09 LYS   PHI     -80.0   -40.0
  10 GLN   PHI     -80.0   -40.0
  11 ALA   PHI     -80.0   -40.0
  12 CYS   PHI     -80.0   -40.0
  13 GLU   PHI     -80.0   -40.0
  16 LYS   PHI     -80.0   -40.0
  17 CYS   PHI     -80.0   -40.0
  18 LEU   PHI     -80.0   -40.0
  19 GLN   PHI     -80.0   -40.0
  21 ASN   PHI    -145.0   -95.0
  25 GLU   PHI     -80.0   -40.0
  30 ALA   PHI     -80.0   -40.0
  32 ILE   PHI     -80.0   -40.0
  33 GLN   PHI     -80.0   -40.0
  34 GLU   PHI     -80.0   -40.0
  35 LEU   PHI     -80.0   -40.0
  36 ARG   PHI     -80.0   -40.0
  37 LYS   PHI     -80.0   -40.0
  38 CYS   PHI     -80.0   -40.0
  39 CYS   PHI     -80.0   -40.0
  42 TYR   PHI    -145.0   -95.0
  44 LYS   PHI     -80.0   -40.0
  51 SER   PHI     -80.0   -40.0
  53 PHE   PHI     -80.0   -40.0
  54 GLU   PHI     -80.0   -40.0
  55 LYS   PHI     -80.0   -40.0
  56 GLU   PHI     -80.0   -40.0
  57 GLU   PHI     -80.0   -40.0
  58 GLU   PHI     -80.0   -40.0
  59 GLU   PHI     -80.0   -40.0
  60 ASN   PHI     -80.0   -40.0
  63 ARG   PHI     -80.0   -40.0
  03 GLN   CHI1   -105.0   -15.0
  05 ASP   CHI1    135.0   225.0
  07 CYS   CHI1   -105.0   -15.0
  08 GLN   CHI1    135.0   225.0
  09 LYS   CHI1    135.0   225.0
  10 GLN   CHI1   -105.0   -15.0
  15 GLN   CHI1   -105.0   -15.0
  17 CYS   CHI1    135.0   225.0
  21 ASN   CHI1   -105.0   -15.0
  24 MET   CHI1   -105.0   -15.0
  25 GLU   CHI1    135.0   225.0
  28 CYS   CHI1   -105.0   -15.0
  31 VAL   CHI1    15.0    105.0
  34 GLU   CHI1    135.0   225.0
  38 CYS   CHI1    135.0   225.0
  39 CYS   CHI1    135.0   225.0
  41 GLN   CHI1    135.0   225.0
  42 TYR   CHI1   -105.0   -15.0
  47 SER   CHI1    135.0   225.0
  48 VAL   CHI1    135.0   225.0
  49 VAL   CHI1   -105.0   -15.0
  50 CYS   CHI1    135.0   225.0


  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          2H        MET   1   6.591  14.598  -6.507
    2   2H    MET   1          3H        MET   1   7.111  14.857  -8.057
    3   3H    MET   1          1H        MET   1   7.418  13.411  -7.311
    4    HA   MET   1           HA       MET   1   9.341  14.684  -7.401
    5   1HB   MET   1          1HB       MET   1   9.503  16.814  -6.153
    6   2HB   MET   1          2HB       MET   1   8.672  16.752  -7.697
    7   1HG   MET   1          1HG       MET   1   6.461  16.740  -6.415
    8   2HG   MET   1          2HG       MET   1   7.391  16.916  -4.930
    9   1HE   MET   1          2HE       MET   1   5.893  18.553  -8.075
   10   2HE   MET   1          3HE       MET   1   6.696  20.135  -8.174
   11   3HE   MET   1          1HE       MET   1   7.604  18.657  -8.557
   12    HA   PRO   2           HA       PRO   2   9.066  12.214  -3.574
   13   1HB   PRO   2          1HB       PRO   2  10.937  10.330  -4.163
   14   2HB   PRO   2          2HB       PRO   2   9.361  10.391  -4.993
   15   1HG   PRO   2          1HG       PRO   2  11.994  11.558  -5.965
   16   2HG   PRO   2          2HG       PRO   2  10.871  10.475  -6.853
   17   1HD   PRO   2          1HD       PRO   2  10.794  13.222  -7.122
   18   2HD   PRO   2          2HD       PRO   2   9.315  12.231  -7.201
   19    H    GLN   3           H        GLN   3   9.986  14.559  -3.020
   20    HA   GLN   3           HA       GLN   3  12.687  14.979  -2.311
   21   1HB   GLN   3          1HB       GLN   3  10.111  15.811  -0.893
   22   2HB   GLN   3          2HB       GLN   3  11.703  16.446  -0.480
   23   1HG   GLN   3          1HG       GLN   3  10.471  16.721  -3.262
   24   2HG   GLN   3          2HG       GLN   3  10.262  17.904  -1.979
   25   1HE2  GLN   3          1HE2      GLN   3  13.464  19.349  -2.435
   26   2HE2  GLN   3          2HE2      GLN   3  11.963  19.392  -1.521
   27    H    LYS   4           H        LYS   4  10.050  13.503  -0.386
   28    HA   LYS   4           HA       LYS   4  11.748  11.451   0.634
   29   1HB   LYS   4          1HB       LYS   4  10.266  13.408   2.460
   30   2HB   LYS   4          2HB       LYS   4  10.646  11.752   2.952
   31   1HG   LYS   4          1HG       LYS   4  13.064  12.191   2.617
   32   2HG   LYS   4          2HG       LYS   4  12.693  13.873   2.171
   33   1HD   LYS   4          1HD       LYS   4  11.704  14.294   4.351
   34   2HD   LYS   4          2HD       LYS   4  11.956  12.598   4.832
   35   1HE   LYS   4          1HE       LYS   4  14.406  12.884   4.547
   36   2HE   LYS   4          2HE       LYS   4  14.155  14.582   4.103
   37   1HZ   LYS   4          2HZ       LYS   4  13.447  13.365   6.686
   38   2HZ   LYS   4          3HZ       LYS   4  14.750  14.331   6.403
   39   3HZ   LYS   4          1HZ       LYS   4  13.227  14.948   6.278
   40    H    ASP   5           H        ASP   5  10.302   9.593   1.090
   41    HA   ASP   5           HA       ASP   5   7.485   9.963   0.447
   42   1HB   ASP   5          1HB       ASP   5   8.661   9.568  -1.673
   43   2HB   ASP   5          2HB       ASP   5   9.214   8.012  -1.077
   44    HA   PRO   6           HA       PRO   6   8.149   7.587   4.357
   45   1HB   PRO   6          1HB       PRO   6   5.184   7.900   4.373
   46   2HB   PRO   6          2HB       PRO   6   6.359   8.152   5.706
   47   1HG   PRO   6          1HG       PRO   6   5.319  10.290   4.462
   48   2HG   PRO   6          2HG       PRO   6   7.090  10.239   4.720
   49   1HD   PRO   6          1HD       PRO   6   5.561   9.365   2.215
   50   2HD   PRO   6          2HD       PRO   6   6.921  10.551   2.359
   51    H    CYS   7           HN       CYX   7   5.952   6.985   1.699
   52    H    GLN   8           H        GLN   8   7.398   5.708   0.447
   53    HA   GLN   8           HA       GLN   8   7.375   3.839  -1.634
   54   1HB   GLN   8          1HB       GLN   8   8.558   5.871  -1.761
   55   2HB   GLN   8          2HB       GLN   8   9.491   5.587  -0.287
   56   1HG   GLN   8          1HG       GLN   8   9.640   3.657  -2.536
   57   2HG   GLN   8          2HG       GLN   8  10.466   5.224  -2.706
   58   1HE2  GLN   8          1HE2      GLN   8  12.210   2.254  -0.588
   59   2HE2  GLN   8          2HE2      GLN   8  10.617   2.043  -1.349
   60    H    LYS   9           H        LYS   9   8.736   3.730   1.546
   61    HA   LYS   9           HA       LYS   9  10.246   1.323   1.370
   62   1HB   LYS   9          1HB       LYS   9  10.253   3.047   3.256
   63   2HB   LYS   9          2HB       LYS   9   8.757   2.331   3.815
   64   1HG   LYS   9          1HG       LYS   9  10.059   0.056   3.794
   65   2HG   LYS   9          2HG       LYS   9  11.515   1.048   3.689
   66   1HD   LYS   9          1HD       LYS   9   9.361   1.292   5.832
   67   2HD   LYS   9          2HD       LYS   9  10.843   0.333   6.007
   68   1HE   LYS   9          1HE       LYS   9  12.195   2.406   5.645
   69   2HE   LYS   9          2HE       LYS   9  10.692   3.349   5.589
   70   1HZ   LYS   9          1HZ       LYS   9  10.231   2.599   7.824
   71   2HZ   LYS   9          2HZ       LYS   9  11.636   1.741   7.864
   72   3HZ   LYS   9          3HZ       LYS   9  11.678   3.386   7.762
   73    H    GLN  10           H        GLN  10   6.861   1.922   2.373
   74    HA   GLN  10           HA       GLN  10   6.351  -0.813   2.930
   75   1HB   GLN  10          1HB       GLN  10   4.037   0.912   2.267
   76   2HB   GLN  10          2HB       GLN  10   4.237  -0.276   3.520
   77   1HG   GLN  10          1HG       GLN  10   4.997   2.600   3.470
   78   2HG   GLN  10          2HG       GLN  10   4.011   1.761   4.638
   79   1HE2  GLN  10          1HE2      GLN  10   7.457   2.642   6.004
   80   2HE2  GLN  10          2HE2      GLN  10   6.452   3.662   4.993
   81    H    ALA  11           H        ALA  11   5.547   1.254   0.081
   82    HA   ALA  11           HA       ALA  11   4.574  -0.666  -1.707
   83   1HB   ALA  11          1HB       ALA  11   4.745   1.740  -2.201
   84   2HB   ALA  11          2HB       ALA  11   6.510   1.595  -2.303
   85   3HB   ALA  11          3HB       ALA  11   5.476   0.764  -3.482
   86    H    CYS  12           H        CYS  12   7.952  -0.134  -0.752
   87    HA   CYS  12           HA       CYS  12   9.058  -2.065  -2.555
   88   1HB   CYS  12          1HB       CYS  12  10.260  -0.275  -1.090
   89   2HB   CYS  12          2HB       CYS  12  10.251  -1.588   0.103
   90    H    GLU  13           H        GLU  13   7.857  -2.226   0.799
   91    HA   GLU  13           HA       GLU  13   8.432  -4.964   1.254
   92   1HB   GLU  13          1HB       GLU  13   6.552  -2.975   2.613
   93   2HB   GLU  13          2HB       GLU  13   6.561  -4.671   3.070
   94   1HG   GLU  13          1HG       GLU  13   8.756  -4.674   3.702
   95   2HG   GLU  13          2HG       GLU  13   9.102  -3.080   2.953
   96    H    ILE  14           H        ILE  14   5.519  -3.462  -0.353
   97    HA   ILE  14           HA       ILE  14   4.052  -5.855  -0.467
   98    HB   ILE  14           HB       ILE  14   4.385  -3.468  -2.291
   99   1HG1  ILE  14          1HG1      ILE  14   2.054  -3.100  -1.812
  100   2HG1  ILE  14          2HG1      ILE  14   2.017  -4.488  -0.717
  101   1HG2  ILE  14          2HG2      ILE  14   2.619  -5.886  -2.844
  102   2HG2  ILE  14          3HG2      ILE  14   2.461  -4.317  -3.667
  103   3HG2  ILE  14          1HG2      ILE  14   3.927  -5.260  -3.874
  104   1HD1  ILE  14          2HD1      ILE  14   3.503  -1.904  -0.432
  105   2HD1  ILE  14          3HD1      ILE  14   2.016  -2.320   0.387
  106   3HD1  ILE  14          1HD1      ILE  14   3.493  -3.213   0.781
  107    H    GLN  15           H        GLN  15   6.669  -4.679  -2.622
  108    HA   GLN  15           HA       GLN  15   6.657  -7.024  -4.223
  109   1HB   GLN  15          1HB       GLN  15   8.949  -5.058  -3.825
  110   2HB   GLN  15          2HB       GLN  15   8.777  -6.263  -5.100
  111   1HG   GLN  15          1HG       GLN  15   6.576  -5.106  -5.743
  112   2HG   GLN  15          2HG       GLN  15   7.047  -3.799  -4.651
  113   1HE2  GLN  15          1HE2      GLN  15   8.846  -4.150  -8.292
  114   2HE2  GLN  15          2HE2      GLN  15   7.687  -5.365  -7.760
  115    H    LYS  16           H        LYS  16   8.658  -6.080  -1.365
  116    HA   LYS  16           HA       LYS  16  10.210  -8.463  -1.428
  117   1HB   LYS  16          1HB       LYS  16   9.440  -6.995   1.170
  118   2HB   LYS  16          2HB       LYS  16  10.873  -7.949   0.884
  119   1HG   LYS  16          1HG       LYS  16  10.276  -5.129  -0.010
  120   2HG   LYS  16          2HG       LYS  16  11.571  -5.701   0.995
  121   1HD   LYS  16          1HD       LYS  16  11.289  -6.311  -1.983
  122   2HD   LYS  16          2HD       LYS  16  12.337  -5.058  -1.273
  123   1HE   LYS  16          1HE       LYS  16  13.424  -6.777   0.129
  124   2HE   LYS  16          2HE       LYS  16  12.433  -8.023  -0.639
  125   1HZ   LYS  16          2HZ       LYS  16  14.380  -6.297  -2.027
  126   2HZ   LYS  16          3HZ       LYS  16  14.621  -7.879  -1.637
  127   3HZ   LYS  16          1HZ       LYS  16  13.466  -7.469  -2.739
  128    H    CYS  17           HN       CYX  17   7.158  -7.759   0.321
  129    H    LEU  18           H        LEU  18   6.128  -9.193  -1.642
  130    HA   LEU  18           HA       LEU  18   4.912 -11.589  -2.390
  131   1HB   LEU  18          1HB       LEU  18   5.816  -9.146  -3.704
  132   2HB   LEU  18          2HB       LEU  18   6.353 -10.496  -4.651
  133    HG   LEU  18           HG       LEU  18   3.863 -11.350  -4.133
  134   1HD1  LEU  18          1HD1      LEU  18   3.366  -9.336  -2.720
  135   2HD1  LEU  18          2HD1      LEU  18   3.634  -8.283  -4.105
  136   3HD1  LEU  18          3HD1      LEU  18   2.284  -9.422  -4.126
  137   1HD2  LEU  18          2HD2      LEU  18   4.862 -10.844  -6.439
  138   2HD2  LEU  18          3HD2      LEU  18   3.151 -10.413  -6.312
  139   3HD2  LEU  18          1HD2      LEU  18   4.402  -9.153  -6.226
  140    H    GLN  19           H        GLN  19   8.382 -10.727  -2.462
  141    HA   GLN  19           HA       GLN  19   9.165 -13.252  -3.609
  142   1HB   GLN  19          1HB       GLN  19  11.147 -11.888  -1.885
  143   2HB   GLN  19          2HB       GLN  19  11.363 -12.582  -3.482
  144   1HG   GLN  19          1HG       GLN  19   9.923 -10.016  -2.945
  145   2HG   GLN  19          2HG       GLN  19  11.664 -10.041  -3.187
  146   1HE2  GLN  19          1HE2      GLN  19   9.094  -9.637  -6.261
  147   2HE2  GLN  19          2HE2      GLN  19   8.669  -9.403  -4.566
  148    H    ALA  20           H        ALA  20   8.854 -12.162  -0.250
  149    HA   ALA  20           HA       ALA  20   9.618 -14.629   0.932
  150   1HB   ALA  20          1HB       ALA  20   9.474 -12.485   2.148
  151   2HB   ALA  20          2HB       ALA  20   7.711 -12.482   1.955
  152   3HB   ALA  20          3HB       ALA  20   8.492 -13.743   2.927
  153    H    ASN  21           H        ASN  21   6.815 -13.957  -1.008
  154    HA   ASN  21           HA       ASN  21   5.357 -16.351   0.022
  155   1HB   ASN  21          1HB       ASN  21   4.349 -13.631  -0.825
  156   2HB   ASN  21          2HB       ASN  21   3.348 -15.066  -0.681
  157   1HD2  ASN  21          1HD2      ASN  21   4.612 -13.236   2.746
  158   2HD2  ASN  21          2HD2      ASN  21   5.218 -12.711   1.159
  159    H    SER  22           H        SER  22   7.349 -15.502  -2.484
  160    HA   SER  22           HA       SER  22   7.648 -16.175  -4.568
  161   1HB   SER  22          1HB       SER  22   5.699 -18.403  -4.049
  162   2HB   SER  22          2HB       SER  22   6.980 -18.302  -5.298
  163    HG   SER  22           HG       SER  22   7.617 -19.557  -3.449
  164    H    TYR  23           H        TYR  23   5.981 -14.198  -4.225
  165    HA   TYR  23           HA       TYR  23   4.840 -12.762  -5.276
  166   1HB   TYR  23          1HB       TYR  23   4.985 -14.641  -7.602
  167   2HB   TYR  23          2HB       TYR  23   4.769 -12.887  -7.687
  168    HD1  TYR  23           HD2      TYR  23   6.918 -12.400  -5.223
  169    HD2  TYR  23           HD1      TYR  23   7.079 -14.747  -8.879
  170    HE1  TYR  23           HE2      TYR  23   9.084 -12.108  -5.212
  171    HE2  TYR  23           HE1      TYR  23   9.544 -14.545  -8.792
  172    HH   TYR  23           HH       TYR  23  11.131 -12.174  -6.580
  173    H    MET  24           H        MET  24   3.446 -15.126  -4.042
  174    HA   MET  24           HA       MET  24   0.754 -14.951  -5.006
  175   1HB   MET  24          1HB       MET  24   1.827 -16.007  -2.353
  176   2HB   MET  24          2HB       MET  24   0.191 -16.234  -2.994
  177   1HG   MET  24          1HG       MET  24   1.264 -17.268  -5.046
  178   2HG   MET  24          2HG       MET  24   2.788 -17.280  -4.213
  179   1HE   MET  24          2HE       MET  24   2.656 -18.218  -1.438
  180   2HE   MET  24          3HE       MET  24   2.569 -19.992  -1.554
  181   3HE   MET  24          1HE       MET  24   3.623 -19.077  -2.654
  182    H    GLU  25           H        GLU  25   0.787 -12.602  -5.184
  183    HA   GLU  25           HA       GLU  25   0.794 -10.767  -3.151
  184   1HB   GLU  25          1HB       GLU  25   0.708 -10.427  -5.628
  185   2HB   GLU  25          2HB       GLU  25  -1.008 -10.868  -5.619
  186   1HG   GLU  25          1HG       GLU  25  -1.576  -8.958  -4.314
  187   2HG   GLU  25          2HG       GLU  25   0.116  -8.646  -3.901
  188    H    SER  26           H        SER  26  -1.613 -13.257  -3.671
  189    HA   SER  26           HA       SER  26  -3.821 -12.442  -2.243
  190   1HB   SER  26          1HB       SER  26  -2.488 -15.155  -1.977
  191   2HB   SER  26          2HB       SER  26  -4.221 -14.779  -2.047
  192    HG   SER  26           HG       SER  26  -3.513 -15.605  -4.033
  193    H    LYS  27           H        LYS  27  -0.613 -13.572  -1.023
  194    HA   LYS  27           HA       LYS  27  -1.491 -13.552   1.734
  195   1HB   LYS  27          1HB       LYS  27   1.358 -13.770   0.677
  196   2HB   LYS  27          2HB       LYS  27   0.743 -14.242   2.265
  197   1HG   LYS  27          1HG       LYS  27  -0.864 -15.792   0.763
  198   2HG   LYS  27          2HG       LYS  27   0.471 -15.611  -0.401
  199   1HD   LYS  27          1HD       LYS  27   1.944 -16.849   0.868
  200   2HD   LYS  27          2HD       LYS  27   1.080 -16.550   2.388
  201   1HE   LYS  27          1HE       LYS  27   0.821 -18.877   1.621
  202   2HE   LYS  27          2HE       LYS  27  -0.727 -18.025   1.721
  203   1HZ   LYS  27          2HZ       LYS  27   0.795 -18.497  -0.753
  204   2HZ   LYS  27          3HZ       LYS  27  -0.552 -19.313  -0.277
  205   3HZ   LYS  27          1HZ       LYS  27  -0.644 -17.711  -0.645
  206    H    CYS  28           HN       CYX  28   0.466 -11.503  -0.466
  207    H    GLN  29           H        GLN  29  -1.895 -10.028   0.243
  208    HA   GLN  29           HA       GLN  29  -2.887  -7.397  -0.018
  209   1HB   GLN  29          1HB       GLN  29  -4.173  -9.703   1.520
  210   2HB   GLN  29          2HB       GLN  29  -4.997  -8.226   1.016
  211   1HG   GLN  29          1HG       GLN  29  -3.848 -10.365  -0.809
  212   2HG   GLN  29          2HG       GLN  29  -5.546 -10.020  -0.513
  213   1HE2  GLN  29          1HE2      GLN  29  -3.513  -7.921  -3.319
  214   2HE2  GLN  29          2HE2      GLN  29  -2.761  -9.256  -2.415
  215    H    ALA  30           H        ALA  30  -1.847  -9.051   2.978
  216    HA   ALA  30           HA       ALA  30  -2.724  -7.156   4.873
  217   1HB   ALA  30          1HB       ALA  30  -1.676  -9.389   5.417
  218   2HB   ALA  30          2HB       ALA  30  -0.104  -8.752   4.835
  219   3HB   ALA  30          3HB       ALA  30  -0.866  -8.039   6.258
  220    H    VAL  31           H        VAL  31   0.284  -7.222   2.869
  221    HA   VAL  31           HA       VAL  31   1.301  -4.927   4.253
  222    HB   VAL  31           HB       VAL  31   2.630  -6.921   3.684
  223   1HG1  VAL  31          2HG1      VAL  31   2.153  -5.992   0.871
  224   2HG1  VAL  31          3HG1      VAL  31   3.646  -6.840   1.325
  225   3HG1  VAL  31          1HG1      VAL  31   2.101  -7.617   1.588
  226   1HG2  VAL  31          2HG2      VAL  31   3.691  -4.853   4.255
  227   2HG2  VAL  31          3HG2      VAL  31   4.630  -5.805   3.090
  228   3HG2  VAL  31          1HG2      VAL  31   3.730  -4.367   2.532
  229    H    ILE  32           H        ILE  32  -0.435  -5.578   1.152
  230    HA   ILE  32           HA       ILE  32  -0.174  -2.917   0.159
  231    HB   ILE  32           HB       ILE  32  -2.297  -5.071  -0.141
  232   1HG1  ILE  32          1HG1      ILE  32  -1.682  -4.603  -2.661
  233   2HG1  ILE  32          2HG1      ILE  32  -0.247  -3.821  -2.026
  234   1HG2  ILE  32          1HG2      ILE  32  -3.386  -2.758  -0.191
  235   2HG2  ILE  32          2HG2      ILE  32  -2.419  -2.437  -1.669
  236   3HG2  ILE  32          3HG2      ILE  32  -3.590  -3.778  -1.600
  237   1HD1  ILE  32          2HD1      ILE  32  -1.071  -6.729  -1.609
  238   2HD1  ILE  32          3HD1      ILE  32   0.117  -6.144  -2.783
  239   3HD1  ILE  32          1HD1      ILE  32   0.459  -5.991  -1.059
  240    H    GLN  33           H        GLN  33  -2.476  -4.484   2.529
  241    HA   GLN  33           HA       GLN  33  -3.795  -2.107   3.108
  242   1HB   GLN  33          1HB       GLN  33  -4.474  -4.487   3.534
  243   2HB   GLN  33          2HB       GLN  33  -3.447  -4.492   4.974
  244   1HG   GLN  33          1HG       GLN  33  -4.735  -2.839   6.047
  245   2HG   GLN  33          2HG       GLN  33  -5.462  -2.293   4.525
  246   1HE2  GLN  33          1HE2      GLN  33  -7.742  -5.099   4.310
  247   2HE2  GLN  33          2HE2      GLN  33  -6.644  -4.139   3.302
  248    H    GLU  34           H        GLU  34  -0.540  -3.116   4.111
  249    HA   GLU  34           HA       GLU  34  -0.407  -1.297   6.308
  250   1HB   GLU  34          1HB       GLU  34   1.062  -3.336   5.916
  251   2HB   GLU  34          2HB       GLU  34   1.874  -2.419   4.627
  252   1HG   GLU  34          1HG       GLU  34   1.665  -0.679   6.786
  253   2HG   GLU  34          2HG       GLU  34   2.139  -2.225   7.504
  254    H    LEU  35           H        LEU  35   0.372  -1.153   2.875
  255    HA   LEU  35           HA       LEU  35   1.592   1.437   2.712
  256   1HB   LEU  35          1HB       LEU  35   0.514  -0.510   0.789
  257   2HB   LEU  35          2HB       LEU  35   0.084   1.160   0.395
  258    HG   LEU  35           HG       LEU  35   2.785   0.021   0.555
  259   1HD1  LEU  35          1HD1      LEU  35   1.449  -0.526  -1.457
  260   2HD1  LEU  35          2HD1      LEU  35   1.226   1.217  -1.748
  261   3HD1  LEU  35          3HD1      LEU  35   2.821   0.514  -1.851
  262   1HD2  LEU  35          1HD2      LEU  35   1.819   2.883  -0.072
  263   2HD2  LEU  35          2HD2      LEU  35   2.815   2.457   1.323
  264   3HD2  LEU  35          3HD2      LEU  35   3.482   2.314  -0.301
  265    H    ARG  36           H        ARG  36  -1.666   0.284   2.966
  266    HA   ARG  36           HA       ARG  36  -3.135   2.568   2.265
  267   1HB   ARG  36          1HB       ARG  36  -3.534  -0.067   3.185
  268   2HB   ARG  36          2HB       ARG  36  -4.232   0.906   4.463
  269   1HG   ARG  36          1HG       ARG  36  -6.040   0.770   3.236
  270   2HG   ARG  36          2HG       ARG  36  -5.278   2.115   2.340
  271   1HD   ARG  36          1HD       ARG  36  -4.340  -0.304   1.178
  272   2HD   ARG  36          2HD       ARG  36  -6.059  -0.576   1.463
  273    HE   ARG  36           HE       ARG  36  -5.048   0.625  -0.705
  274   1HH1  ARG  36          1HH2      ARG  36  -7.502   1.582   1.609
  275   2HH1  ARG  36          2HH2      ARG  36  -8.052   2.989   0.722
  276   1HH2  ARG  36          1HH1      ARG  36  -5.609   2.736  -1.823
  277   2HH2  ARG  36          2HH1      ARG  36  -6.951   3.594  -1.152
  278    H    LYS  37           H        LYS  37  -2.362   1.386   5.456
  279    HA   LYS  37           HA       LYS  37  -3.213   3.667   6.921
  280   1HB   LYS  37          1HB       LYS  37  -0.986   1.729   7.703
  281   2HB   LYS  37          2HB       LYS  37  -1.911   2.747   8.811
  282   1HG   LYS  37          1HG       LYS  37  -3.959   1.452   8.346
  283   2HG   LYS  37          2HG       LYS  37  -3.097   0.490   7.138
  284   1HD   LYS  37          1HD       LYS  37  -1.446  -0.145   9.004
  285   2HD   LYS  37          2HD       LYS  37  -2.620   0.562  10.129
  286   1HE   LYS  37          1HE       LYS  37  -3.125  -1.745  10.113
  287   2HE   LYS  37          2HE       LYS  37  -4.352  -1.023   9.056
  288   1HZ   LYS  37          1HZ       LYS  37  -2.953  -1.664   7.176
  289   2HZ   LYS  37          2HZ       LYS  37  -1.882  -2.382   8.203
  290   3HZ   LYS  37          3HZ       LYS  37  -3.414  -2.973   8.073
  291    H    CYS  38           HN       CYX  38  -0.053   2.880   5.460
  292    H    CYS  39           HN       CYX  39  -0.560   4.539   3.426
  293    H    ALA  40           H        ALA  40  -2.712   5.922   4.085
  294    HA   ALA  40           HA       ALA  40  -4.214   8.325   3.781
  295   1HB   ALA  40          1HB       ALA  40  -5.261   6.101   4.132
  296   2HB   ALA  40          2HB       ALA  40  -4.546   6.017   5.761
  297   3HB   ALA  40          3HB       ALA  40  -5.775   7.246   5.386
  298    H    GLN  41           H        GLN  41  -1.315   8.055   5.485
  299    HA   GLN  41           HA       GLN  41  -2.085   9.474   7.877
  300   1HB   GLN  41          1HB       GLN  41   0.126   7.996   6.997
  301   2HB   GLN  41          2HB       GLN  41   0.639   9.629   6.787
  302   1HG   GLN  41          1HG       GLN  41   0.534  10.223   8.956
  303   2HG   GLN  41          2HG       GLN  41  -0.509   8.836   9.407
  304   1HE2  GLN  41          1HE2      GLN  41   2.187   6.515   9.712
  305   2HE2  GLN  41          2HE2      GLN  41   0.447   6.671   9.505
  306    H    TYR  42           H        TYR  42  -1.767  10.134   4.470
  307    HA   TYR  42           HA       TYR  42  -1.090  12.921   4.944
  308   1HB   TYR  42          1HB       TYR  42   0.060  11.052   2.858
  309   2HB   TYR  42          2HB       TYR  42   0.610  12.671   3.246
  310    HD1  TYR  42           HD2      TYR  42   1.513  13.044   5.691
  311    HD2  TYR  42           HD1      TYR  42   1.024   9.168   3.943
  312    HE1  TYR  42           HE2      TYR  42   3.266  12.203   7.123
  313    HE2  TYR  42           HE1      TYR  42   2.851   8.274   5.289
  314    HH   TYR  42           HH       TYR  42   3.675   9.312   7.947
  315    HA   PRO  43           HA       PRO  43  -3.531  13.565   1.126
  316   1HB   PRO  43          1HB       PRO  43  -2.195  15.656  -0.050
  317   2HB   PRO  43          2HB       PRO  43  -3.228  15.868   1.396
  318   1HG   PRO  43          1HG       PRO  43  -0.209  15.567   1.292
  319   2HG   PRO  43          2HG       PRO  43  -1.170  16.772   2.203
  320   1HD   PRO  43          1HD       PRO  43  -0.211  14.512   3.401
  321   2HD   PRO  43          2HD       PRO  43  -1.797  15.175   3.829
  322    H    LYS  44           H        LYS  44  -3.309  12.439  -0.859
  323    HA   LYS  44           HA       LYS  44  -1.180  10.791  -1.341
  324   1HB   LYS  44          1HB       LYS  44  -2.024  10.534  -3.680
  325   2HB   LYS  44          2HB       LYS  44  -3.200  10.321  -2.417
  326   1HG   LYS  44          1HG       LYS  44  -4.445  11.528  -3.917
  327   2HG   LYS  44          2HG       LYS  44  -3.879  12.812  -2.882
  328   1HD   LYS  44          1HD       LYS  44  -3.377  13.820  -4.838
  329   2HD   LYS  44          2HD       LYS  44  -1.896  12.867  -4.787
  330   1HE   LYS  44          1HE       LYS  44  -4.459  12.079  -6.228
  331   2HE   LYS  44          2HE       LYS  44  -3.029  12.805  -6.982
  332   1HZ   LYS  44          1HZ       LYS  44  -1.764  10.897  -6.235
  333   2HZ   LYS  44          2HZ       LYS  44  -3.136  10.200  -5.640
  334   3HZ   LYS  44          3HZ       LYS  44  -2.990  10.464  -7.258
  335    H    GLY  45           H        GLY  45  -1.318  14.134  -2.409
  336   1HA   GLY  45          1HA       GLY  45   0.706  14.047  -4.389
  337   2HA   GLY  45          2HA       GLY  45   0.242  15.472  -3.447
  338    H    ARG  46           H        ARG  46   1.049  13.623  -0.929
  339    HA   ARG  46           HA       ARG  46   3.724  14.644  -0.770
  340   1HB   ARG  46          1HB       ARG  46   3.477  14.309   1.403
  341   2HB   ARG  46          2HB       ARG  46   1.811  13.997   1.084
  342   1HG   ARG  46          1HG       ARG  46   1.974  11.892   1.888
  343   2HG   ARG  46          2HG       ARG  46   3.218  11.425   0.836
  344   1HD   ARG  46          1HD       ARG  46   3.618  12.957   3.407
  345   2HD   ARG  46          2HD       ARG  46   3.959  11.240   3.118
  346    HE   ARG  46           HE       ARG  46   5.407  12.492   1.156
  347   1HH1  ARG  46          1HH2      ARG  46   5.199  13.078   4.599
  348   2HH1  ARG  46          2HH2      ARG  46   6.815  13.685   4.812
  349   1HH2  ARG  46          1HH1      ARG  46   7.653  13.052   1.373
  350   2HH2  ARG  46          2HH1      ARG  46   8.207  13.776   2.852
  351    H    SER  47           H        SER  47   2.466  11.726  -2.234
  352    HA   SER  47           HA       SER  47   5.113  10.551  -2.262
  353   1HB   SER  47          1HB       SER  47   4.533   9.596  -0.282
  354   2HB   SER  47          2HB       SER  47   2.801   9.557  -0.629
  355    HG   SER  47           HG       SER  47   4.808   7.739  -1.125
  356    H    VAL  48           H        VAL  48   5.481   9.179  -3.818
  357    HA   VAL  48           HA       VAL  48   3.791   9.381  -6.135
  358    HB   VAL  48           HB       VAL  48   6.206   7.551  -5.879
  359   1HG1  VAL  48          1HG1      VAL  48   4.736   7.363  -7.880
  360   2HG1  VAL  48          2HG1      VAL  48   4.957   9.089  -8.202
  361   3HG1  VAL  48          3HG1      VAL  48   6.346   7.979  -8.309
  362   1HG2  VAL  48          1HG2      VAL  48   6.230  10.550  -6.428
  363   2HG2  VAL  48          2HG2      VAL  48   7.050   9.688  -5.101
  364   3HG2  VAL  48          3HG2      VAL  48   7.583   9.447  -6.764
  365    H    VAL  49           H        VAL  49   4.880   6.670  -3.990
  366    HA   VAL  49           HA       VAL  49   3.334   4.755  -5.351
  367    HB   VAL  49           HB       VAL  49   3.939   3.244  -3.692
  368   1HG1  VAL  49          1HG1      VAL  49   5.887   4.293  -4.981
  369   2HG1  VAL  49          2HG1      VAL  49   6.224   5.254  -3.511
  370   3HG1  VAL  49          3HG1      VAL  49   6.312   3.498  -3.465
  371   1HG2  VAL  49          1HG2      VAL  49   4.467   5.575  -1.800
  372   2HG2  VAL  49          2HG2      VAL  49   3.159   4.368  -1.681
  373   3HG2  VAL  49          3HG2      VAL  49   4.839   3.877  -1.490
  374    H    CYS  50           HN       CYX  50   2.562   6.772  -2.469
  375    H    SER  51           H        SER  51   1.129   8.029  -4.320
  376    HA   SER  51           HA       SER  51  -1.506   8.836  -5.080
  377   1HB   SER  51          1HB       SER  51   1.143   8.963  -6.574
  378   2HB   SER  51          2HB       SER  51  -0.374   9.660  -7.142
  379    HG   SER  51           HG       SER  51   1.112  10.337  -4.796
  380    H    GLY  52           H        GLY  52   0.540   6.020  -5.825
  381   1HA   GLY  52          1HA       GLY  52  -1.150   4.953  -7.984
  382   2HA   GLY  52          2HA       GLY  52  -0.011   4.060  -6.891
  383    H    PHE  53           H        PHE  53  -0.968   4.978  -4.520
  384    HA   PHE  53           HA       PHE  53  -2.555   2.722  -4.161
  385   1HB   PHE  53          1HB       PHE  53  -0.584   3.936  -2.845
  386   2HB   PHE  53          2HB       PHE  53  -1.947   4.605  -1.916
  387    HD1  PHE  53           HD2      PHE  53  -0.686   1.490  -3.599
  388    HD2  PHE  53           HD1      PHE  53  -2.704   3.264  -0.210
  389    HE1  PHE  53           HE2      PHE  53  -0.845  -0.708  -2.577
  390    HE2  PHE  53           HE1      PHE  53  -2.721   1.013   0.837
  391    HZ   PHE  53           HZ       PHE  53  -1.980  -0.909  -0.344
  392    H    GLU  54           H        GLU  54  -3.294   6.097  -3.405
  393    HA   GLU  54           HA       GLU  54  -6.004   5.474  -2.718
  394   1HB   GLU  54          1HB       GLU  54  -4.956   8.109  -3.780
  395   2HB   GLU  54          2HB       GLU  54  -6.551   7.817  -3.067
  396   1HG   GLU  54          1HG       GLU  54  -4.989   6.745  -1.069
  397   2HG   GLU  54          2HG       GLU  54  -3.861   7.912  -1.731
  398    H    LYS  55           H        LYS  55  -4.447   5.494  -5.891
  399    HA   LYS  55           HA       LYS  55  -6.997   5.302  -7.233
  400   1HB   LYS  55          1HB       LYS  55  -5.940   5.847  -9.060
  401   2HB   LYS  55          2HB       LYS  55  -4.550   6.151  -8.063
  402   1HG   LYS  55          1HG       LYS  55  -3.492   4.858  -9.530
  403   2HG   LYS  55          2HG       LYS  55  -4.121   3.498  -8.609
  404   1HD   LYS  55          1HD       LYS  55  -6.075   3.369 -10.158
  405   2HD   LYS  55          2HD       LYS  55  -5.372   4.681 -11.120
  406   1HE   LYS  55          1HE       LYS  55  -4.046   1.995 -10.542
  407   2HE   LYS  55          2HE       LYS  55  -4.880   2.417 -12.047
  408   1HZ   LYS  55          2HZ       LYS  55  -2.497   3.768 -10.987
  409   2HZ   LYS  55          3HZ       LYS  55  -2.515   2.688 -12.231
  410   3HZ   LYS  55          1HZ       LYS  55  -3.268   4.146 -12.393
  411    H    GLU  56           H        GLU  56  -4.701   3.039  -5.830
  412    HA   GLU  56           HA       GLU  56  -5.737   0.587  -6.738
  413   1HB   GLU  56          1HB       GLU  56  -4.180  -0.097  -5.216
  414   2HB   GLU  56          2HB       GLU  56  -4.122   1.523  -4.636
  415   1HG   GLU  56          1HG       GLU  56  -4.377   0.562  -2.703
  416   2HG   GLU  56          2HG       GLU  56  -6.061   0.865  -3.022
  417    H    GLU  57           H        GLU  57  -6.871   2.771  -4.299
  418    HA   GLU  57           HA       GLU  57  -9.183   1.391  -3.434
  419   1HB   GLU  57          1HB       GLU  57  -8.114   3.715  -2.636
  420   2HB   GLU  57          2HB       GLU  57  -9.389   4.394  -3.634
  421   1HG   GLU  57          1HG       GLU  57 -11.108   3.217  -2.362
  422   2HG   GLU  57          2HG       GLU  57  -9.884   2.303  -1.470
  423    H    GLU  58           H        GLU  58  -8.796   3.440  -6.285
  424    HA   GLU  58           HA       GLU  58 -11.572   3.290  -7.081
  425   1HB   GLU  58          1HB       GLU  58 -10.568   5.107  -8.079
  426   2HB   GLU  58          2HB       GLU  58  -9.039   4.304  -8.332
  427   1HG   GLU  58          1HG       GLU  58 -10.146   4.802 -10.446
  428   2HG   GLU  58          2HG       GLU  58  -9.862   3.082 -10.241
  429    H    GLU  59           H        GLU  59  -8.567   1.537  -7.995
  430    HA   GLU  59           HA       GLU  59  -9.732  -0.289  -9.785
  431   1HB   GLU  59          1HB       GLU  59  -7.332   0.049  -9.524
  432   2HB   GLU  59          2HB       GLU  59  -7.382  -0.671  -7.910
  433   1HG   GLU  59          1HG       GLU  59  -7.944  -2.838  -8.787
  434   2HG   GLU  59          2HG       GLU  59  -8.171  -2.181 -10.422
  435    H    ASN  60           H        ASN  60  -9.745  -0.378  -6.326
  436    HA   ASN  60           HA       ASN  60 -10.634  -3.039  -5.912
  437   1HB   ASN  60          1HB       ASN  60 -10.945  -0.469  -4.369
  438   2HB   ASN  60          2HB       ASN  60 -11.753  -1.920  -3.808
  439   1HD2  ASN  60          1HD2      ASN  60  -7.617  -2.266  -3.901
  440   2HD2  ASN  60          2HD2      ASN  60  -8.413  -1.354  -5.164
  441    H    LEU  61           H        LEU  61 -12.447  -0.237  -7.013
  442    HA   LEU  61           HA       LEU  61 -15.041  -1.128  -6.425
  443   1HB   LEU  61          1HB       LEU  61 -15.838   0.502  -7.701
  444   2HB   LEU  61          2HB       LEU  61 -14.238   1.087  -7.420
  445    HG   LEU  61           HG       LEU  61 -14.283   1.624  -9.542
  446   1HD1  LEU  61          1HD1      LEU  61 -12.747  -0.470  -9.714
  447   2HD1  LEU  61          2HD1      LEU  61 -14.102  -1.175 -10.630
  448   3HD1  LEU  61          3HD1      LEU  61 -13.340   0.315 -11.176
  449   1HD2  LEU  61          2HD2      LEU  61 -16.679   1.252  -9.737
  450   2HD2  LEU  61          3HD2      LEU  61 -15.872   0.783 -11.240
  451   3HD2  LEU  61          1HD2      LEU  61 -16.416  -0.470 -10.099
  452    H    THR  62           H        THR  62 -12.847  -2.606  -8.619
  453    HA   THR  62           HA       THR  62 -14.649  -4.117 -10.224
  454    HB   THR  62           HB       THR  62 -12.654  -5.662 -10.417
  455    HG1  THR  62           HG1      THR  62 -11.171  -3.689  -8.973
  456   1HG2  THR  62          1HG2      THR  62 -12.947  -3.779 -11.974
  457   2HG2  THR  62          2HG2      THR  62 -12.044  -2.718 -10.871
  458   3HG2  THR  62          3HG2      THR  62 -11.232  -4.097 -11.637
  459    H    ARG  63           H        ARG  63 -12.738  -5.068  -7.436
  460    HA   ARG  63           HA       ARG  63 -14.098  -7.463  -6.824
  461   1HB   ARG  63          1HB       ARG  63 -11.805  -6.568  -5.998
  462   2HB   ARG  63          2HB       ARG  63 -12.693  -5.780  -4.695
  463   1HG   ARG  63          1HG       ARG  63 -12.949  -8.750  -5.330
  464   2HG   ARG  63          2HG       ARG  63 -11.655  -8.137  -4.312
  465   1HD   ARG  63          1HD       ARG  63 -13.049  -7.572  -2.551
  466   2HD   ARG  63          2HD       ARG  63 -14.494  -7.447  -3.536
  467    HE   ARG  63           HE       ARG  63 -13.305  -9.843  -2.398
  468   1HH1  ARG  63          1HH2      ARG  63 -15.741  -8.568  -4.684
  469   2HH1  ARG  63          2HH2      ARG  63 -16.536 -10.085  -4.898
  470   1HH2  ARG  63          1HH1      ARG  63 -14.385 -11.866  -2.686
  471   2HH2  ARG  63          2HH1      ARG  63 -15.768 -11.985  -3.715
  472    H    LYS  64           H        LYS  64 -14.521  -4.237  -5.504
  473    HA   LYS  64           HA       LYS  64 -17.090  -3.668  -5.254
  474   1HB   LYS  64          1HB       LYS  64 -16.418  -5.712  -3.165
  475   2HB   LYS  64          2HB       LYS  64 -17.362  -4.323  -2.648
  476   1HG   LYS  64          1HG       LYS  64 -19.213  -4.839  -4.001
  477   2HG   LYS  64          2HG       LYS  64 -18.293  -5.932  -5.034
  478   1HD   LYS  64          1HD       LYS  64 -19.661  -7.285  -3.563
  479   2HD   LYS  64          2HD       LYS  64 -17.965  -7.479  -3.106
  480   1HE   LYS  64          1HE       LYS  64 -18.484  -5.546  -1.379
  481   2HE   LYS  64          2HE       LYS  64 -20.175  -5.968  -1.676
  482   1HZ   LYS  64          1HZ       LYS  64 -19.601  -8.234  -1.030
  483   2HZ   LYS  64          2HZ       LYS  64 -18.047  -7.765  -0.717
  484   3HZ   LYS  64          3HZ       LYS  64 -19.285  -7.155   0.179
  485    H    SER  65           H        SER  65 -16.941  -1.540  -4.595
  486    HA   SER  65           HA       SER  65 -14.639  -0.433  -3.648
  487   1HB   SER  65          1HB       SER  65 -17.431   0.645  -3.215
  488   2HB   SER  65          2HB       SER  65 -15.974   1.613  -3.567
  489    HG   SER  65           HG       SER  65 -17.229   1.399  -5.439
  490    H    ALA  66           H        ALA  66 -16.766  -1.924  -1.972
  491    HA   ALA  66           HA       ALA  66 -15.656  -1.338   0.669
  492   1HB   ALA  66          1HB       ALA  66 -17.607   0.144   0.621
  493   2HB   ALA  66          2HB       ALA  66 -18.667  -1.225   0.214
  494   3HB   ALA  66          3HB       ALA  66 -17.867  -1.160   1.797
  495    H    SER  67           H        SER  67 -14.634  -3.403   0.271
  496    HA   SER  67           HA       SER  67 -16.246  -5.505   1.435
  497   1HB   SER  67          1HB       SER  67 -16.468  -5.874  -0.986
  498   2HB   SER  67          2HB       SER  67 -14.699  -5.960  -1.149
  499    HG   SER  67           HG       SER  67 -14.825  -7.683   0.410
  500    H    LYS  68           H        LYS  68 -14.206  -3.799   2.429
  501    HA   LYS  68           HA       LYS  68 -12.434  -5.806   3.553
  502   1HB   LYS  68          1HB       LYS  68 -11.424  -3.258   2.229
  503   2HB   LYS  68          2HB       LYS  68 -10.527  -4.064   3.522
  504   1HG   LYS  68          1HG       LYS  68 -10.536  -6.178   2.201
  505   2HG   LYS  68          2HG       LYS  68 -11.249  -5.316   0.834
  506   1HD   LYS  68          1HD       LYS  68  -8.644  -4.364   2.098
  507   2HD   LYS  68          2HD       LYS  68  -8.668  -5.715   0.968
  508   1HE   LYS  68          1HE       LYS  68  -8.134  -3.804  -0.312
  509   2HE   LYS  68          2HE       LYS  68  -9.787  -4.264  -0.726
  510   1HZ   LYS  68          1HZ       LYS  68 -10.542  -2.514   0.755
  511   2HZ   LYS  68          2HZ       LYS  68  -8.973  -2.055   1.037
  512   3HZ   LYS  68          3HZ       LYS  68  -9.612  -1.965  -0.487
   
  No H/Q in entry =         512