*HEADER    GENE REGULATION                         09-OCT-98   3MEF      
*TITLE     MAJOR COLD-SHOCK PROTEIN FROM ESCHERICHIA COLI SOLUTION NMR   
*TITLE    2 STRUCTURE                                                    
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: COLD-SHOCK PROTEIN A;                              
*COMPND   3 CHAIN: A;                                                    
*COMPND   4 FRAGMENT: FULL LENGTH PROTEIN;                               
*COMPND   5 SYNONYM: CSPA, CS7.4;                                        
*COMPND   6 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                       
*SOURCE   3 STRAIN: BL21(DE3);                                           
*SOURCE   4 GENE: U60035;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                         
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                      
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET11-CSPA;                       
*SOURCE   9 EXPRESSION_SYSTEM_GENE: U60035;                              
*SOURCE  10 OTHER_DETAILS: PCR-GENERATED GENE                            
*KEYWDS    COLD-SHOCK PROTEIN, TRANSCRIPTION REGULATION, SINGLE-         
*KEYWDS   2 STRANDED RNA/DNA BINDING, OB FOLD, GREEK-KEY TOPOLOGY, RNA   
*KEYWDS   3 CHAPERONE, AROMATIC-BASE STACKING INTERACTIONS, GENE         
*KEYWDS   4 REGULATION                                                   
*EXPDTA    NMR, 16 STRUCTURES                                            
*AUTHOR    W.FENG,R.TEJERO,G.T.MONTELIONE                                
*REVDAT   1   12-OCT-04 3MEF    0   

REMARK
REMARK  DIANA FORMAT DISTANCE CONSTRAINTS
REMARK
REMARK  DATA: 3D N15-EDITED NOESY IN H2O, MIXING TIME = 60 MS,
REMARK  2D NOESY IN D2O, MIXING TIME = 60 MS.  
REMARK
REMARK  H-BOND CONSTRAINTS WERE IDENTIFIED BY COMBINED ANALYSIS OF NOE DATA
REMARK  AND AMIDE 1H/2H EXCHANGE MEASUREMENTS AS DESCRIBED IN JRNL ENTRY
REMARK  
REMARK  DIHEDRAL ANGLE CONSTRAINTS WERE OBTAINED FROM ANALYSIS OF 3J(HN-HA),
REMARK  3J(HA-HB), AND 3J(15N-HB) COUPLING CONSTANTS TOGETHER WITH LOCAL
REMARK  NOES USING THE CONFORMATIONAL GRID SEARCH PROGRAM HYPER (TEJERO
REMARK  AND MONTELIONE, SUBMITTED FOR PUBLICATION)
REMARK
REMARK   UPPER-BOUND CONSTRAINTS
REMARK
  2 SER
  3 GLY
         QA      4 LYS  H       4.6         #i,da           n15noesy            
  4 LYS
         HA      4 LYS  H       4.0         #               n15noesy            
         HB1     4 LYS  H       5.0         #both           n15noesy                       
         HB2     4 LYS  H       5.0         #both           n15noesy
         QG      4 LYS  H       6.0         #m,one          n15noesy                       
         QB      4 LYS  HA      3.6         #i,one          d2onoesy,intra          
         HG1     4 LYS  HA      5.0         #both           d2onoesy,intra
         HG2     4 LYS  HA      5.0         #both           d2onoesy,intra
         QE      4 LYS  HA      6.6         #m,de           d2onoesy,intra                 
         QE      4 LYS  HG1     6.6         #m,de,both      d2onoesy,intra                 
         QE      4 LYS  HG2     6.6         #m,de,both      d2onoesy,intra                 
         HA      5 MET  H       3.0         #               n15noesy            
         HB1     5 MET  H       4.0         #both           n15noesy       
         HB2     5 MET  H       4.0         #both           n15noesy         
         QB     52 SER  QB      7.0         #m,one,m,one    d2onoesy         
         QG     52 SER  HB1     6.0         #m,one,both     d2onoesy         
         QG     52 SER  HB2     6.0         #m,one,both     d2onoesy         
         QB     53 PHE  H       6.0         #m,one          n15noesy         
         QG     53 PHE  H       6.0         #m,one          n15noesy         
         QG     53 PHE  HA      6.0         #m,one          d2onoesy         
  5 MET
         HA      5 MET  H       4.0         #               n15noesy                       
         HB1     5 MET  H       5.0         #both           n15noesy                       
         HB2     5 MET  H       5.0         #both           n15noesy                       
         HG1     5 MET  H       5.0         #both           n15noesy                       
         HG2     5 MET  H       5.0         #both           n15noesy                       
         HB1     5 MET  HA      3.0         #both           d2onoesy,intra                 
         HB2     5 MET  HA      3.0         #both           d2onoesy,intra
         HG1     5 MET  HA      5.0         #both           d2onoesy,intra                 
         HG2     5 MET  HA      5.0         #both           d2onoesy,intra                 
         QG      5 MET  QB      6.6         #m,one,i,one    d2onoesy,intra                 
         HA      6 THR  H       3.0         #               n15noesy            
         QB      6 THR  H       4.6         #i,one          n15noesy            
         QG      6 THR  H       6.0         #m,one          n15noesy                       
         O      53 PHE  N       3.0         #               H-BOND                 
         O      53 PHE  H       2.0         #               H-BOND                 
         QG     53 PHE  HA      6.0         #m,one          d2onoesy               
         H      54 THR  HA      5.0         #               n15noesy
  6 THR
         HA      6 THR  H       4.0         #               n15noesy                       
         HB      6 THR  H       5.0         #               n15noesy                       
         QG2     6 THR  H       7.0         #m,Me           n15noesy                       
         HB      6 THR  HA      3.0         #               d2onoesy,intra                 
         QG2     6 THR  HA      6.6         #i,Me           d2onoesy,intra              
         HA      7 GLY  H       3.0         #               n15noesy            
         HB      7 GLY  H       4.0         #               n15noesy
         HB      7 GLY  QA      5.0         #i,one          d2onoesy
         HA     52 SER  HA      5.0         #               d2onoesy                       
         HB     52 SER  HA      5.0         #               d2onoesy                       
         QG2    52 SER  HA      7.0         #m,Me           d2onoesy                       
         HA     52 SER  HB1     5.0         #both           d2onoesy                       
         HA     52 SER  HB2     5.0         #both           d2onoesy                       
         HA     53 PHE  H       5.0         #               n15noesy         
         H      53 PHE  CG      8.2         #r,dd           n15noesy                       
         QG2    53 PHE  H       7.0         #m,Me           n15noesy                       
         HA     70 LEU  QQD     7.4         #q,one Me       d2onoesy                       
  7 GLY
         HA1     7 GLY  H       4.0         #both           n15noesy             
         HA2     7 GLY  H       4.0         #both           n15noesy           
         HA1     8 ILE  H       4.0         #both           n15noesy           
         HA2     8 ILE  H       4.0         #both           n15noesy           
         H      21 ILE  QG2     7.0         #m,Me           n15noesy             
         QA     21 ILE  QG2     8.0         #m,one,m,Me     d2onoesy             
         QA     23 PRO  HA      6.0         #m,one          d2onoesy
         QA     24 ASP  H       6.0         #m,one          n15noesy
         H      50 LYS  HA      5.0         #               n15noesy                       
         H      50 LYS  QD      6.6         #m,dd           n15noesy            
         H      51 VAL  H       5.0         #               n15noesy                 
         H      51 VAL  QQG     9.2         #q,one Me       n15noesy                 
         H      52 SER  HA      5.0         #               n15noesy                       
         H      53 PHE  CG      7.8         #r,dd           n15noesy                 
         H      51 VAL  O       2.0         #               H-BOND                 
         N      51 VAL  O       3.0         #               H-BOND                 
         O      51 VAL  H       2.0         #               H-BOND                 
         O      51 VAL  N       3.0         #               H-BOND                 
  8 ILE
         HA      8 ILE  H       5.0         #               n15noesy              
         HB      8 ILE  H       4.0         #               n15noesy              
         HG11    8 ILE  H       5.0         #both           n15noesy              
         HG12    8 ILE  H       5.0         #both           n15noesy              
         QG2     8 ILE  H       7.0         #m,Me           n15noesy              
         HB      8 ILE  HA      3.0         #               d2onoesy,intra                 
         QG1     8 ILE  HA      6.0         #m,one          d2onoesy,intra                
         QG2     8 ILE  HA      6.6         #i,Me           d2onoesy,intra
         HA      9 VAL  H       3.0         #               n15noesy            
         HB      9 VAL  H       5.0         #               n15noesy             
         QG2    10 LYS  QG      8.0         #m,Me,m,one     d2onoesy                       
         H      21 ILE  QG2     7.0         #m,Me           n15noesy                
         H      22 THR  H       5.0         #               n15noesy            
         H      22 THR  O       2.0         #               H-BOND                 
         N      22 THR  O       3.0         #               H-BOND                 
         O      22 THR  H       2.0         #               H-BOND                 
         O      22 THR  N       3.0         #               H-BOND                 
         QG2    48 GLY  QA      8.0         #m,Me,m,one     d2onoesy
         QG1    50 LYS  HA      6.0         #m,one          d2onoesy                       
         QG2    50 LYS  HA      7.0         #m,Me           d2onoesy                       
         HA     50 LYS  QB      6.6         #m,db           d2onoesy                       
         QD1    51 VAL  H       7.0         #m,Me           n15noesy 
         QG2    51 VAL  HA      7.0         #m,Me           d2onoesy                       
         HA     51 VAL  QQG     7.4         #q,one Me       d2onoesy                       
         H      53 PHE  CG      7.8         #r,dd           n15noesy              
  9 VAL
         HA      9 VAL  H       4.0         #               n15noesy            
         HB      9 VAL  H       4.0         #               n15noesy            
         QG1     9 VAL  H       7.0         #m,both Me      n15noesy
         QG2     9 VAL  H       7.0         #m,both Me      n15noesy
         HB      9 VAL  HA      2.5         #               d2onoesy,intra                 
         QG1     9 VAL  HA      7.0         #m,both Me      d2onoesy,intra                 
         QG2     9 VAL  HA      7.0         #m,both Me      d2onoesy,intra                 
         HA     10 LYS  H       3.0         #               n15noesy          
         QG1    10 LYS  H       7.0         #m,both Me      n15noesy 
         QG2    10 LYS  H       7.0         #m,both Me      n15noesy 
         QQG    11 TRP  H       7.4         #q,one Me       n15noesy
         QQG    12 PHE  HA      7.4         #q,one Me       d2onoesy
         QQG    12 PHE  QB      8.4         #q,one Me,m,one d2onoesy
         QQG    12 PHE  CZ     10.2         #q,one Me,r,de  d2onoesy
         HA     21 ILE  QG2     7.0         #m,Me           d2onoesy
         QQG    21 ILE  QG2     9.4         #q,one Me,m,Me  d2onoesy
         HA     22 THR  H       5.0         #               n15noesy                       
         QQG    45 LEU  QQD     9.8         #q,one Me,q,one Me d2onoesy
         QQG    46 ASP  HA      7.4         #q,one Me       d2onoesy
         QQG    47 GLU  H       7.4         #q,one Me       n15noesy                       
         H      48 GLY  H       5.0         #               n15noesy            
         QG1    48 GLY  H       7.0         #m,both Me      n15noesy            
         QG2    48 GLY  H       7.0         #m,both Me      n15noesy            
         H      49 GLN  H       5.0         #               n15noesy            
         QG1    49 GLN  H       7.0         #m,both Me      n15noesy            
         QG2    49 GLN  H       7.0         #m,both Me      n15noesy              
         H      49 GLN  O       2.0         #               H-BOND                 
         N      49 GLN  O       3.0         #               H-BOND                 
         O      49 GLN  H       2.5         #               H-BOND                 
         O      49 GLN  N       3.3         #               H-BOND                 
         QQG    49 GLN  QB      8.4         #q,one Me,m,one d2onoesy
         QQG    50 LYS  HA      7.4         #q,one Me       d2onoesy
         HB     51 VAL  QQG     7.4         #q,one Me       d2onoesy                       
 10 LYS 
         HA     10 LYS  H       3.0         #               n15noesy
         QB     10 LYS  H       5.1         #i,db           n15noesy            
         QG     10 LYS  H       6.0         #m,one          n15noesy            
         QB     10 LYS  HA      4.0         #i,db           d2onoesy,intra                 
         HA     11 TRP  H       5.0         #               n15noesy            
         QB     11 TRP  H       5.1         #i,db           n15noesy            
         QB     11 TRP  HA      5.5         #m,dg           d2onoesy
         QG     11 TRP  H       6.0         #m,one          n15noesy
         H      11 TRP  H       4.0         #               n15noesy
         QB     11 TRP  HE1     6.6         #m,db           n15noesy
         QB     20 PHE  QB      7.6         #m,db,m,one     d2onoesy
         H      21 ILE  QG1     6.0         #m,one          n15noesy
         H      22 THR  H       5.0         #               n15noesy                       
         QB     22 THR  H       6.6         #m,db           n15noesy                       
         QG     22 THR  H       6.0         #m,one          n15noesy                       
 11 TRP
         HA     11 TRP  H       4.0         #               n15noesy                       
         HB1    11 TRP  H       5.0         #both           n15noesy                       
         HB2    11 TRP  H       5.0         #both           n15noesy                       
         CG     11 TRP  H       6.6         #m,dd           n15noesy            
         HB1    11 TRP  HA      3.0         #both           d2onoesy,intra                 
         HB2    11 TRP  HA      3.0         #both           d2onoesy,intra                
         HA     12 PHE  H       3.0         #               n15noesy              
         QB     12 PHE  H       4.6         #i,one          n15noesy 
         HE3    12 PHE  H       5.0         #               n15noesy
         H      20 PHE  H       5.0         #               n15noesy                       
         H      20 PHE  QB      6.0         #m,one          n15noesy                       
         HE1    20 PHE  QB      6.0         #m,one          n15noesy                       
         H      20 PHE  O       2.5         #               H-BOND                 
         N      20 PHE  O       3.3         #               H-BOND                 
         HE1    29 ASP  QB      6.0         #m,one          n15noesy                       
 12 PHE
         HA     12 PHE  H       4.0         #               n15noesy             
         HB1    12 PHE  H       4.0         #both           n15noesy                       
         HB2    12 PHE  H       4.0         #both           n15noesy                       
         HB1    12 PHE  HA      3.0         #both           d2onoesy,intra
         HB2    12 PHE  HA      3.0         #both           d2onoesy,intra
         HA     13 ASN  H       3.0         #               n15noesy                       
         CG     14 ALA  H       7.8         #r,dd           n15noesy                       
         CG     19 GLY  H       7.8         #r,dd           n15noesy                       
         QB     20 PHE  H       6.0         #m,one          n15noesy     
         CZ     34 PHE  H       7.8         #r,dd           n15noesy
         CZ     34 PHE  HA      7.8         #r,de           d2onoesy
         CZ     37 ILE  QG1     8.8         #r,de,m,one     d2onoesy
         CZ     44 SER  HA      7.8         #r,de           d2onoesy
         CZ     44 SER  QB      8.8         #r,de,m,one     d2onoesy
         CG     45 LEU  H       7.8         #r,dd           n15noesy
         HB1    45 LEU  QB      6.0         #both,m,one     d2onoesy
         HB2    45 LEU  QB      6.0         #both,m,one     d2onoesy
         CZ     45 LEU  QB      8.8         #r,de,m,one     d2onoesy
         CZ     45 LEU  HG      7.8         #r,de           d2onoesy
         H      47 GLU  QB      6.0         #m,one          n15noesy
 13 ASN
         HA     13 ASN  H       4.0         #               n15noesy             
         QB     13 ASN  H       4.6         #i,one          n15noesy             
         HB1    13 ASN  HA      4.0         #both           d2onoesy,intra                 
         HB2    13 ASN  HA      4.0         #both           d2onoesy,intra                 
         QB     13 ASN  HD21    6.0         #m,one          n15noesy             
         QB     13 ASN  HD22    6.0         #m,one          n15noesy             
         HA     14 ALA  H       3.0         #               n15noesy             
         QB     16 LYS  H       6.0         #m,one          n15noesy                
         QB     16 LYS  QB      7.0         #m,one,m,one    d2onoesy                
         H      18 PHE  H       5.0         #               n15noesy             
         HB1    18 PHE  H       5.0         #both           n15noesy             
         HB2    18 PHE  H       5.0         #both           n15noesy             
         O      18 PHE  H       2.5         #               H-BOND                 
         O      18 PHE  N       3.0         #               H-BOND

 14 ALA
         HA     14 ALA  H       4.0         #               n15noesy            
         QB     14 ALA  H       4.2         #i,Me           n15noesy         
         QB     14 ALA  HA      3.6         #i,Me           d2onoesy         
         H      15 ASP  H       4.0         #               n15noesy
         HA     15 ASP  H       5.0         #               n15noesy
         QB     15 ASP  H       5.8         #m,Me           n15noesy
         QB     44 SER  QB      8.0         #m,Me,m,one     d2onoesy                
 15 ASP
         HA     15 ASP  H       4.0         #               n15noesy            
         QB     15 ASP  H       4.6         #i,one          n15noesy            
         HB1    15 ASP  HA      3.0         #both           d2onoesy,intra                 
         HB2    15 ASP  HA      3.0         #both           d2onoesy,intra
         H      16 LYS  H       4.0         #               n15noesy                
         HA     16 LYS  H       5.0         #               n15noesy                
         QB     16 LYS  H       5.0         #m,one          n15noesy                
         H      16 LYS  QB      5.6         #i,one          n15noesy                
         H      16 LYS  HG1     5.0         #both           n15noesy                
         H      16 LYS  HG2     5.0         #both           n15noesy                
 16 LYS
         HA     16 LYS  H       4.0         #               n15noesy                
         QB     16 LYS  H       4.6         #i,one          n15noesy                
         QG     16 LYS  H       6.0         #m,one          n15noesy                
         QD     16 LYS  H       6.0         #m,one          n15noesy                
         QE     16 LYS  QD      7.0         #m,one,m,one    d2onoesy                       
         H      17 GLY  H       3.0         #               n15noesy
         H      17 GLY  QA      5.6         #i,one          n15noesy                
         QD     17 GLY  H       6.0         #m,one          n15noesy                
         QB     17 GLY  H       5.6         #i,one          n15noesy             
         QB     18 PHE  H       6.0         #m,one          n15noesy             
         QG     18 PHE  H       6.0         #m,one          n15noesy                
 17 GLY
         HA1    17 GLY  H       3.0         #both           n15noesy
         HA2    17 GLY  H       3.0         #both           n15noesy             
         H      18 PHE  H       4.0         #               n15noesy             
         HA1    18 PHE  H       5.0         #both           n15noesy             
         HA2    18 PHE  H       5.0         #both           n15noesy             
         H      18 PHE  CG      7.8         #r,dd           n15noesy             
 18 PHE
         HA     18 PHE  H       4.0         #               n15noesy             
         HB1    18 PHE  H       5.0         #both           n15noesy             
         HB2    18 PHE  H       5.0         #both           n15noesy             
         CG     18 PHE  H       6.6         #m,dd           n15noesy             
         CZ     18 PHE  H       6.6         #m,de           n15noesy             
         HB1    18 PHE  HA      3.0         #both           d2onoesy,intra       
         HB2    18 PHE  HA      3.0         #both           d2onoesy,intra       
         CG     18 PHE  HA      6.6         #m,dd           d2onoesy,intra                 
         CZ     18 PHE  QB      7.2         #m,dd,i,one     d2onoesy,intra                 
         HA     19 GLY  H       4.0         #               n15noesy
         HB1    19 GLY  H       4.0         #both           n15noesy            
         HB2    19 GLY  H       4.0         #both           n15noesy          
         CG     19 GLY  H       7.8         #r,dd           n15noesy             
         HA     32 VAL  QQG     7.4         #q,one Me       d2onoesy                       
         HA     33 HIS  HA      5.0         #               d2onoesy             
         QB     33 HIS  HA      6.0         #m,one          d2onoesy             
         CG     33 HIS  HD1     7.8         #r,dd           d2onoesy
         HA     34 PHE  H       5.0         #               n15noesy                
         HA     34 PHE  CZ      7.8         #r,de           d2onoesy
 19 GLY
         QA     19 GLY  H       5.1         #i,da           n15noesy
         QA     20 PHE  H       5.1         #i,da           n15noesy                       
         H      32 VAL  H       5.0         #               n15noesy             
         H      32 VAL  QQG     7.4         #q,one Me       n15noesy             
         H      32 VAL  O       2.0         #               H-BOND                 
         N      32 VAL  O       3.0         #               H-BOND                 
         O      32 VAL  H       2.0         #               H-BOND                 
         O      32 VAL  N       3.0         #               H-BOND                 
 20 PHE
         HA     20 PHE  H       4.0         #               n15noesy                       
         QB     20 PHE  H       4.6         #i,one          n15noesy                       
         HB1    20 PHE  HA      4.0         #both           d2onoesy,intra                 
         HB2    20 PHE  HA      4.0         #both           d2onoesy,intra                 
         HA     21 ILE  H       3.0         #               n15noesy            
         HB1    21 ILE  H       5.0         #both           n15noesy             
         HB2    21 ILE  H       5.0         #both           n15noesy
         CG     30 VAL  H       7.8         #r,dd           n15noesy             
         HA     31 PHE  HB1     5.0         #both           d2onoesy
         HA     31 PHE  HB2     5.0         #both           d2onoesy                       
         HA     32 VAL  H       5.0         #               n15noesy                       
         HA     32 VAL  QQG     7.4         #q,one Me       d2onoesy
 21 ILE
         HA     21 ILE  H       4.0         #               n15noesy             
         HB     21 ILE  H       3.0         #               n15noesy
         HG11   21 ILE  H       5.0         #both           n15noesy                       
         HG12   21 ILE  H       5.0         #both           n15noesy                       
         QG2    21 ILE  H       7.0         #m,Me           n15noesy                       
         QD1    21 ILE  H       7.0         #m,Me           n15noesy                       
         QG1    21 ILE  HA      6.0         #m,one          d2onoesy,intra                 
         QG2    21 ILE  HA      6.6         #i,Me           d2onoesy,intra                 
         QG2    21 ILE  QD1     9.0         #m,Me,m,Me      d2onoesy
         HA     22 THR  H       3.0         #               n15noesy            
         HB     22 THR  H       5.0         #               n15noesy            
         QG2    22 THR  H       6.0         #m,Me           n15noesy                       
         HB     22 THR  HA      5.0         #               d2onoesy
         H      29 ASP  QB      6.0         #m,one          n15noesy
         H      30 VAL  HB      5.0         #               n15noesy              
         QG2    30 VAL  QQG     9.4         #m,Me,q,one Me  d2onoesy
         QD1    30 VAL  QQG     9.4         #m,Me,q,one Me  d2onoesy                       
         H      30 VAL  O       2.0         #               H-BOND                 
         N      30 VAL  O       3.0         #               H-BOND                 
         O      30 VAL  H       2.5         #               H-BOND                 
         O      30 VAL  N       3.3         #               H-BOND                 
         H      32 VAL  QQG     7.4         #q,one Me       n15noesy
         QG1    32 VAL  QQG     8.4         #m,one,q,one Me d2onoesy                       
         QD1    32 VAL  HB      7.0         #m,Me           d2onoesy                       
         QD1    32 VAL  QG1     9.4         #m,Me,m,both Me d2onoesy                       
         QD1    32 VAL  QG2     9.4         #m,Me,m,both Me d2onoesy                       
         QD1    45 LEU  QQD     9.4         #m,Me,q,one Me  d2onoesy                       
         QG2    51 VAL  QQG     9.4         #m,Me,q,one Me  d2onoesy                       
         QD1    51 VAL  QQG     9.4         #m,Me,q,one Me  d2onoesy                       
         QG2    53 PHE  CG      9.4         #m,Me,r,dd      d2onoesy
         QD1    53 PHE  CG      9.4         #m,Me,r,dd      d2onoesy
         QD1    67 VAL  QQG     9.4         #m,Me,q,dMe     d2onoesy                       
 22 THR
         HA     22 THR  H       4.0         #               n15noesy             
         HB     22 THR  H       3.0         #               n15noesy             
         QG2    22 THR  H       7.0         #m,Me           n15noesy             
         HB     22 THR  HA      3.0         #               d2onoesy,intra                 
         QG2    22 THR  HA      6.6         #i,Me           d2onoesy,intra                 
         HA     23 PRO  QG      6.0         #m,one          d2onoesy                       
         HA     23 PRO  HD1     5.0         #both           d2onoesy                       
         HA     23 PRO  HD2     5.0         #both           d2onoesy                       
         HB     23 PRO  QD      6.0         #m,one          d2onoesy                       
         HA     28 LYS  QB      6.6         #m,db           d2onoesy
         HA     29 ASP  HA      5.0         #               d2onoesy                       
         QG2    29 ASP  HA      7.0         #m,Me           d2onoesy                       
         HA     30 VAL  H       5.0         #               n15noesy
 23 PRO
         HA     24 ASP  H       3.0         #               n15noesy                       
         QB     27 SER  H       6.0         #m,one          n15noesy              
         HG1    29 ASP  HA      5.0         #both           d2onoesy,intra                 
         HG2    29 ASP  HA      5.0         #both           d2onoesy,intra                 
         HD1    29 ASP  HA      5.0         #both           d2onoesy,intra                 
         HD2    29 ASP  HA      5.0         #both           d2onoesy,intra                 
         HD1    30 VAL  H       5.0         #both           n15noesy                
         HD2    30 VAL  H       5.0         #both           n15noesy
 24 ASP
         HA     24 ASP  H       4.0         #               n15noesy                       
         HB1    24 ASP  H       5.0         #both           n15noesy            
         HB2    24 ASP  H       5.0         #both           n15noesy            
         QB     24 ASP  HA      3.6         #i,one          d2onoesy            
         H      25 ASP  H       4.0         #               n15noesy            
         HA     25 ASP  H       5.0         #               n15noesy            
         QB     25 ASP  H       5.6         #i,one          n15noesy            
         H      53 PHE  CG      7.8         #r,dd           n15noesy            
 25 ASP
         HA     25 ASP  H       4.0         #               n15noesy             
         HB1    25 ASP  H       5.0         #both           n15noesy            
         HB2    25 ASP  H       5.0         #both           n15noesy            
         QB     25 ASP  HA      3.6         #i,one          d2onoesy,intra                 
         H      26 GLY  H       5.0         #               n15noesy            
         QB     26 GLY  H       5.6         #i,one          n15noesy
         HA     26 GLY  QA      5.0         #i,one          d2onoesy
 26 GLY
         HA1    26 GLY  H       4.0         #both           n15noesy
         HA2    26 GLY  H       4.0         #both           n15noesy
         H      27 SER  H       4.0         #               n15noesy            
 27 SER
         HA     27 SER  H       4.0         #               n15noesy            
         HB1    27 SER  H       4.0         #both           n15noesy
         HB2    27 SER  H       4.0         #both           n15noesy
         HB1    27 SER  HA      3.0         #both           d2onoesy
         HB2    27 SER  HA      3.0         #both           d2onoesy
         HA     28 LYS  H       4.0         #               n15noesy             
         HB1    28 LYS  H       4.0         #both           n15noesy
         HB2    28 LYS  H       4.0         #both           n15noesy
 28 LYS
         QB     28 LYS  H       4.0         #i,db           n15noesy            
         QG     28 LYS  H       6.6         #m,dg           n15noesy                       
         QB     28 LYS  HA      4.0         #i,db           d2onoesy,intra
         QE     28 LYS  QG      7.6         #m,one,m,dg     d2onoesy,intra                 
         QE     28 LYS  QD      7.6         #m,one,m,dd     d2onoesy,intra                 
         HA     29 ASP  H       3.0         #               n15noesy            
         QB     29 ASP  H       5.1         #i,db           n15noesy            
         QG     29 ASP  H       6.6         #m,dg           n15noesy                       
 29 ASP
         HA     29 ASP  H       4.0         #               n15noesy                       
         QB     29 ASP  H       4.6         #i,one          n15noesy                       
         QB     29 ASP  HA      3.6         #i,one          d2onoesy,intra
         HA     30 VAL  H       4.0         #               n15noesy          
         QB     30 VAL  H       4.6         #i,one          n15noesy            
         HA     30 VAL  QQG     7.4         #q,one Me       d2onoesy
 30 VAL
         HA     30 VAL  H       4.0         #               n15noesy             
         HB     30 VAL  H       4.0         #               n15noesy
         QQG    30 VAL  H       6.7         #s,one Me       n15noesy
         HB     30 VAL  HA      3.0         #               d2onoesy,intra                 
         QG1    30 VAL  HA      7.0         #m,both Me      d2onoesy,intra                 
         QG2    30 VAL  HA      7.0         #m,both Me      d2onoesy,intra                 
         HA     31 PHE  H       3.0         #               n15noesy            
         HB     31 PHE  H       5.0         #               n15noesy             
         QG1    31 PHE  H       7.0         #m,both Me      n15noesy                      
         QG2    31 PHE  H       7.0         #m,both Me      n15noesy
         QQG    31 PHE  CG      9.1         #q,one Me,r,dd  d2onoesy
         HA     62 PRO  QB      6.0         #m,one          d2onoesy
         QQG    64 ALA  H       7.4         #q,one Me       n15noesy            
 31 PHE
         HA     31 PHE  H       5.0         #               n15noesy             
         HB1    31 PHE  H       4.0         #both           n15noesy             
         HB2    31 PHE  H       4.0         #both           n15noesy
         CG     31 PHE  H       6.6         #m,dd           n15noesy             
         HB1    31 PHE  HA      4.0         #both           d2onoesy,intra
         HB2    31 PHE  HA      4.0         #both           d2onoesy,intra
         HA     32 VAL  H       3.0         #               n15noesy            
         QB     32 VAL  H       5.6         #i,one          n15noesy             
         CG     32 VAL  H       7.8         #r,dd           n15noesy
         CG     32 VAL  QQG    10.2         #r,dd,q,one Me  d2onoesy
         H      63 ALA  HA      5.0         #               n15noesy
         QB     63 ALA  QB      8.0         #m,one,m,Me     d2onoesy                       
         HB1    63 ALA  HA      5.0         #both           d2onoesy
         HB2    63 ALA  HA      5.0         #both           d2onoesy
         H      64 ALA  H       5.0         #               n15noesy             
 32 VAL
         HA     32 VAL  H       4.0         #               n15noesy             
         HB     32 VAL  H       5.0         #               n15noesy
         QQG    32 VAL  H       6.7         #s,one Me       n15noesy
         HB     32 VAL  HA      2.5         #               d2onoesy                       
         QG1    32 VAL  HA      5.0         #m,both Me      d2onoesy,intra                 
         QG2    32 VAL  HA      5.0         #m,both Me      d2onoesy,intra                 
         HA     33 HIS  H       3.0         #               n15noesy          
         HB     33 HIS  H       4.0         #               n15noesy
         QQG    33 HIS  H       7.4         #q,one Me       n15noesy
         QQG    36 ALA  QB      9.4         #q,one Me,m,Me  d2onoesy                       
         QQG    45 LEU  QQD     9.8         #q,one Me,q,one Me d2onoesy                    
         HB     64 ALA  QB      7.0         #m,Me           d2onoesy
         QQG    64 ALA  H       7.4         #q,one Me       n15noesy             
 33 HIS
         HA     33 HIS  H       4.0         #               n15noesy             
         HB1    33 HIS  H       4.0         #both           n15noesy             
         HB2    33 HIS  H       4.0         #both           n15noesy             
         HB1    33 HIS  HA      4.0         #both           d2onoesy
         HB2    33 HIS  HA      4.0         #both           d2onoesy
         HA     33 HIS  HD1     5.0         #               d2onoesy
         HB1    33 HIS  HD1     5.0         #both           d2onoesy
         HB2    33 HIS  HD1     5.0         #both           d2onoesy
         HA     34 PHE  H       3.0         #               n15noesy                       
         HB1    34 PHE  H       5.0         #both           n15noesy                
         HB2    34 PHE  H       5.0         #both           n15noesy                
         HA     34 PHE  QB      5.1         #i,one          d2onoesy
         HD1    34 PHE  QB      5.6         #i,one          d2onoesy
         QB     36 ALA  H       6.0         #m,one          n15noesy
         H      36 ALA  QB      7.0         #m,Me           n15noesy             
 34 PHE
         HA     34 PHE  H       4.0         #               n15noesy            
         HB1    34 PHE  H       5.0         #both           n15noesy            
         HB2    34 PHE  H       5.0         #both           n15noesy
         CG     34 PHE  H       6.6         #m,dd           n15noesy            
         CZ     34 PHE  H       6.6         #m,de           n15noesy          
         HZ     34 PHE  H       6.0         #               n15noesy          
         CG     34 PHE  HA      6.6         #m,dd           d2onoesy,intra                 
         HB1    34 PHE  HA      3.0         #both           d2onoesy,intra
         HB2    34 PHE  HA      3.0         #both           d2onoesy,intra
         H      35 SER  H       5.0         #               n15noesy
         HA     35 SER  H       5.0         #               n15noesy             
         CG     35 SER  H       7.8         #r,dd           n15noesy             
         CG     35 SER  HA      7.8         #r,dd           d2onoesy
         H      35 SER  QB      6.2         #i,db           n15noesy
         H      36 ALA  H       5.0         #               n15noesy             
         HA     36 ALA  H       5.0         #               n15noesy
         HA     37 ILE  QD1     7.0         #m,Me           d2onoesy
         QB     37 ILE  HB      6.0         #m,one          d2onoesy
         QB     37 ILE  QD1     8.0         #m,one,m,Me     d2onoesy
         QB     43 LYS  QB      7.6         #m,one,m,db     d2onoesy
 35 SER
         HA     35 SER  H       4.0         #               n15noesy            
         QB     35 SER  H       5.1         #i,db           n15noesy            
         H      36 ALA  H       4.0         #               n15noesy          
         HA     36 ALA  H       5.0         #               n15noesy          
         HA     37 ILE  H       5.0         #               n15noesy          
 36 ALA
         HA     36 ALA  H       4.0         #               n15noesy             
         QB     36 ALA  H       4.2         #i,Me           n15noesy             
         QB     36 ALA  HA      4.2         #i,Me           d2onoesy             
         H      37 ILE  H       3.0         #               n15noesy            
         H      37 ILE  QG1     6.0         #m,one          n15noesy            
         HA     37 ILE  H       5.0         #               n15noesy            
         HA     38 GLN  HE22    5.0         #               n15noesy            
         QB     65 GLY  QA      8.0         #m,Me,m,one     d2onoesy
         HA     66 ASN  H       5.0         #               n15noesy
         QB     66 ASN  H       7.0         #m,Me           n15noesy            
         QB     67 VAL  H       7.0         #m,Me           n15noesy            
         QB     67 VAL  QQG    12.0         #m,Me,q,dMe     d2onoesy
 37 ILE
         HA     37 ILE  H       4.0         #               n15noesy            
         QG1    37 ILE  H       6.0         #m,one          n15noesy                       
         QD1    37 ILE  H       7.0         #m,Me           n15noesy
         HB     37 ILE  HA      3.0         #               d2onoesy
         QG1    37 ILE  HA      6.0         #m,one          d2onoesy,intra
         QG2    37 ILE  HA      5.6         #i,one          d2onoesy,intra
         QD1    37 ILE  HA      7.0         #m,Me           d2onoesy,intra
         QD1    37 ILE  QG2     5.4         #m,Me,i,Me      d2onoesy,intra                 
         HA     38 GLN  H       3.0         #               n15noesy            
         HA     38 GLN  HE21    5.0         #               n15noesy          
         QG2    38 GLN  H       7.0         #m,Me           n15noesy                       
         QG2    39 ASN  H       7.0         #m,Me           n15noesy            
         QG2    39 ASN  HB1     7.0         #m,Me,both      d2onoesy
         QG2    39 ASN  HB2     7.0         #m,Me,both      d2onoesy
         QD1    43 LYS  HA      7.0         #m,Me           d2onoesy
         QG2    44 SER  H       7.0         #m,Me           n15noesy              
         QD1    44 SER  H       7.0         #m,Me           n15noesy              
         QD1    44 SER  HA      7.0         #m,Me           d2onoesy
         QG2    45 LEU  QQD     9.4         #m,Me,q,one Me  d2onoesy
         HA     67 VAL  H       5.0         #               n15noesy                       
         HA     68 THR  HA      5.0         #               d2onoesy
         QG2    68 THR  HA      7.0         #m,Me           d2onoesy                       
 38 GLN
         HA     38 GLN  H       4.0         #               n15noesy             
         QB     38 GLN  H       4.6         #i,one          n15noesy                       
         QG     38 GLN  H       6.0         #m,one          n15noesy                       
         HB1    38 GLN  HA      3.0         #both           d2onoesy,intra                 
         HB2    38 GLN  HA      3.0         #both           d2onoesy,intra                 
         QG     38 GLN  HA      6.0         #m,one          d2onoesy,intra
         HE21   38 GLN  QG      6.0         #m,one          n15noesy                       
         HE22   38 GLN  QG      6.0         #m,one          n15noesy
         H      39 ASN  H       5.0         #               n15noesy
         HA     39 ASN  H       5.0         #               n15noesy            
         HE21   66 ASN  HA      5.0         #               n15noesy                       
         HE22   66 ASN  HA      5.0         #               n15noesy                       
         H      67 VAL  H       5.0         #               n15noesy
         QG     67 VAL  H       6.0         #m,one          n15noesy              
         H      68 THR  HA      5.0         #               n15noesy              
         QB     68 THR  QG2     8.0         #m,one,m,Me     d2onoesy              
         H      69 SER  H       5.0         #               n15noesy              
         HE21   69 SER  H       5.0         #               n15noesy
 39 ASN
         HA     39 ASN  H       4.0         #               n15noesy                
         QB     39 ASN  H       4.6         #i,one          n15noesy         
         HB1    39 ASN  HA      3.0         #both           d2onoesy,intra                 
         HB2    39 ASN  HA      3.0         #both           d2onoesy,intra                 
         HD21   39 ASN  HB1     5.0         #both           n15noesy            
         HD22   39 ASN  HB1     5.0         #both           n15noesy
         HD21   39 ASN  HB2     5.0         #both           n15noesy            
         HD22   39 ASN  HB2     5.0         #both           n15noesy
         H      40 ASP  H       5.0         #               n15noesy            
         HA     40 ASP  H       3.0         #               n15noesy            
         QB     40 ASP  H       5.6         #i,one          n15noesy            
         QB     41 GLY  H       6.0         #m,one          n15noesy             
 40 ASP
         HA     40 ASP  H       4.0         #               n15noesy             
         HB1    40 ASP  HA      4.0         #both           d2onoesy,intra                 
         HB2    40 ASP  HA      4.0         #both           d2onoesy,intra                 
         H      41 GLY  H       5.0         #               n15noesy             
         HA     41 GLY  H       4.0         #               n15noesy             
         QB     41 GLY  H       5.6         #i,one          n15noesy             
 41 GLY
         HA1    41 GLY  H       4.0         #both           n15noesy            
         HA2    41 GLY  H       4.0         #both           n15noesy            
         H      42 TYR  H       5.0         #               n15noesy          
         HA1    42 TYR  H       5.0         #both           n15noesy         
         HA2    42 TYR  H       5.0         #both           n15noesy         
         H      43 LYS  QE      6.0         #m,one          n15noesy              
         QA     43 LYS  QD      7.6         #m,one,m,da     d2onoesy              
 42 TYR
         HA     42 TYR  H       4.0         #               n15noesy             
         QB     42 TYR  H       4.0         #i,db           n15noesy                       
         QB     42 TYR  HA      4.0         #i,db           d2onoesy,intra                 
         H      43 LYS  H       5.0         #               n15noesy                       
         HA     43 LYS  H       3.0         #               n15noesy
         QB     43 LYS  H       6.2         #i,db           n15noesy         
         CG     43 LYS  H       6.6         #m,dd           n15noesy         
         HA     44 SER  H       8.8         #r,de,m,one     n15noesy                    
         QB     44 SER  H       6.6         #m,db           d2onoesy
         CG     44 SER  QB      8.8         #r,dd,m,one     d2onoesy                       
         CZ     44 SER  QB      8.8         #r,de,m,one     d2onoesy
 43 LYS
         HA     43 LYS  H       4.0         #               n15noesy            
         QB     43 LYS  H       4.6         #i,one          n15noesy                       
         QG     43 LYS  H       6.6         #m,dg           n15noesy                       
         QD     43 LYS  H       6.6         #m,dd           n15noesy                       
         QG     43 LYS  HA      6.6         #m,dg           d2onoesy,intra                 
         QB     43 LYS  HA      3.6         #i,one          d2onoesy,intra      
         QE     43 LYS  QB      6.6         #m,one,i,one    d2onoesy,intra                 
         H      44 SER  H       5.0         #               n15noesy            
         HA     44 SER  H       3.0         #               n15noesy
         QB     44 SER  H       5.6         #i,one          n15noesy                       
         HD1    44 SER  H       5.0         #both           n15noesy                       
         HD2    44 SER  H       5.0         #both           n15noesy                       
 44 SER
         HA     44 SER  H       4.0         #               n15noesy            
         QB     44 SER  H       5.6         #i,one          n15noesy            
         QB     44 SER  HA      3.6         #i,one          d2onoesy            
         HA     45 LEU  H       3.0         #               n15noesy            
         QB     45 LEU  H       4.6         #i,one          n15noesy            
 45 LEU
         HA     45 LEU  H       4.0         #               n15noesy             
         QB     45 LEU  H       4.6         #i,one          n15noesy                     
         HG     45 LEU  H       5.0         #               n15noesy
         QB     45 LEU  HA      3.6         #i,one          d2onoesy,intra                 
         QD1    45 LEU  HA      6.0         #m,both Me      d2onoesy,intra                 
         QD2    45 LEU  HA      6.0         #m,both Me      d2onoesy,intra                 
         QQD    45 LEU  QB      7.3         #s,one Me,i,one d2onoesy,intra                 
         HA     46 ASP  H       4.0         #               n15noesy
         QB     46 ASP  H       5.6         #i,one          n15noesy            
         QQD    46 ASP  H       7.4         #q,one Me       n15noesy            
         QB     46 ASP  HA      5.5         #m,db           d2onoesy                       
         QQD    49 GLN  HE21    7.4         #q,one Me       n15noesy            
         QQD    49 GLN  HE22    7.4         #q,one Me       n15noesy            
         QQD    51 VAL  QQG     9.8         #q,one Me,q,one Me d2onoesy                    
         QQD    67 VAL  QQG    11.6         #q,one Me,q,dMe d2onoesy                       
 46 ASP
         HA     46 ASP  H       4.0         #               n15noesy                       
         HB1    46 ASP  H       5.0         #both           n15noesy            
         HB2    46 ASP  H       5.0         #both           n15noesy            
         HA     46 ASP  HB1     3.0         #both           d2onoesy,intra                 
         HA     46 ASP  HB2     3.0         #both           d2onoesy,intra                  
         HA     47 GLU  H       3.0         #               n15noesy                       
         HB1    47 GLU  H       5.0         #both           n15noesy            
         HB2    47 GLU  H       5.0         #both           n15noesy
         H      49 GLN  HB1     5.0         #both           n15noesy
         H      49 GLN  HB2     5.0         #both           n15noesy
 47 GLU
         HA     47 GLU  H       4.0         #               n15noesy            
         HB1    47 GLU  H       4.0         #both           n15noesy
         HB2    47 GLU  H       4.0         #both           n15noesy
         HB1    47 GLU  HA      3.0         #both           d2onoesy,intra
         HB2    47 GLU  HA      3.0         #both           d2onoesy,intra
         QG     47 GLU  HA      6.0         #m,one          d2onoesy
         QG     47 GLU  HB1     6.0         #m,one,both     d2onoesy
         QG     47 GLU  HB2     6.0         #m,one,both     d2onoesy
         QB     48 GLY  H       5.6         #i,one          n15noesy            
         HG1    48 GLY  H       5.0         #both           n15noesy
         HG2    48 GLY  H       5.0         #both           n15noesy
 48 GLY
         QA     48 GLY  H       4.6         #i,one          n15noesy
         QA     49 GLN  H       5.6         #i,one          n15noesy
         H      49 GLN  H       4.0         #               n15noesy            
         H      49 GLN  QG      6.6         #m,dg           n15noesy            
 49 GLN
         HA     49 GLN  H       4.0         #               n15noesy            
         HB1    49 GLN  H       4.0         #both           n15noesy                       
         HB2    49 GLN  H       4.0         #both           n15noesy                       
         QG     49 GLN  H       6.6         #m,dg           n15noesy                       
         QB     49 GLN  HA      3.6         #i,one          d2onoesy,intra       
         QG     49 GLN  HA      6.6         #m,dg           d2onoesy,intra      
         HE21   49 GLN  QG      6.6         #m,dg           n15noesy            
         HE22   49 GLN  QG      6.6         #m,dg           n15noesy            
         HA     50 LYS  H       3.0         #               n15noesy            
         QB     50 LYS  H       5.6         #i,one          n15noesy             
         QG     50 LYS  H       6.6         #m,dg           n15noesy
         HA     50 LYS  HA      4.5         #               d2onoesy
         QG     51 VAL  QQG     9.0         #m,dg,q,one Me  d2onoesy
         HE22   69 SER  HA      5.0         #               n15noesy              
         HE21   69 SER  QB      6.0         #m,one          n15noesy              
         HE22   69 SER  QB      6.0         #m,one          n15noesy              
         HE22   70 LEU  H       5.0         #               n15noesy              
 50 LYS
         HA     50 LYS  H       4.0         #               n15noesy             
         QB     50 LYS  H       4.0         #i,db           n15noesy 
         QD     50 LYS  H       6.6         #m,dd           n15noesy
         QB     50 LYS  HA      4.0         #i,db           d2onoesy,intra      
         QG     50 LYS  HA      6.0         #m,one          d2onoesy,intra      
         QD     50 LYS  HA      6.1         #i,dd           d2onoesy,intra      
         HA     51 VAL  H       3.0         #               n15noesy            
         QB     51 VAL  H       5.1         #i,db           n15noesy            
         QG     51 VAL  H       6.0         #m,one          n15noesy                       
         QD     51 VAL  H       6.6         #m,dd           n15noesy                       
         QG     51 VAL  HA      6.0         #m,one          d2onoesy
         H      51 VAL  QQG     7.4         #q,one Me       n15noesy               
         HA     51 VAL  QQG     7.4         #q,one Me       d2onoesy            
         H      70 LEU  H       5.0         #               n15noesy
         QB     70 LEU  H       6.6         #m,db           n15noesy            
         O      70 LEU  H       2.0         #               H-BOND                 
         O      70 LEU  N       3.0         #               H-BOND                 
         QB     70 LEU  QQD    10.2         #m,one,q,dMe    d2onoesy            
 51 VAL
         HA     51 VAL  H       4.0         #               n15noesy
         QG1    51 VAL  H       7.0         #m,both Me      n15noesy
         QG2    51 VAL  H       7.0         #m,both Me      n15noesy
         HB     51 VAL  HA      3.0         #               d2onoesy,intra                 
         QG1    51 VAL  HA      7.0         #m,both Me      d2onoesy,intra                 
         QG2    51 VAL  HA      7.9         #m,both Me      d2onoesy,intra                 
         HA     52 SER  H       3.0         #               n15noesy            
         HB     52 SER  H       3.0         #               n15noesy          
         QG1    52 SER  H       7.0         #m,both Me      n15noesy
         QG2    52 SER  H       7.0         #m,both Me      n15noesy
         QQG    52 SER  HA      7.4         #q,one Me       d2onoesy                       
         QQG    53 PHE  CG      9.0         #q,one Me,m,dd  d2onoesy
         HB     68 THR  H       5.0         #               n15noesy              
         H      69 SER  HA      5.0         #               n15noesy              
         HA     69 SER  HA      5.0         #               d2onoesy                       
         HA     70 LEU  H       5.0         #               n15noesy            
         QQG    70 LEU  H       7.4         #q,one Me       n15noesy            
         HA     70 LEU  QB      6.6         #m,db           d2onoesy                       
         HA     70 LEU  QQD     9.2         #q,dMe          d2onoesy            
 52 SER
         HA     52 SER  H       5.0         #               n15noesy             
         QB     52 SER  H       5.6         #i,one          n15noesy             
         HB1    52 SER  HA      3.0         #both           d2onoesy,intra                 
         HB2    52 SER  HA      3.0         #both           d2onoesy,intra                 
         HA     53 PHE  H       3.0         #               n15noesy            
         QB     53 PHE  H       4.6         #i,one          n15noesy
         HA     53 PHE  CG      7.8         #r,dd           d2onoesy
         H      68 THR  O       2.0         #               H-BOND
         N      68 THR  O       3.0         #               H-BOND                 
         QB     68 THR  QG2     8.0         #m,one,m,Me     d2onoesy                
         H      69 SER  HA      5.0         #               n15noesy                   
         H      70 LEU  H       5.0         #               n15noesy                   
         H      70 LEU  HG      5.0         #               n15noesy                   
         H      70 LEU  QQD     7.4         #q,one Me       n15noesy                   
         HA     70 LEU  QQD     9.2         #q,dMe          d2onoesy                   
 53 PHE
         HA     53 PHE  H       4.0         #               n15noesy             
         CG     53 PHE  H       6.6         #m,dd           n15noesy             
         CG     53 PHE  HA      6.6         #m,dd           d2onoesy,intra                 
         QB     53 PHE  HA      3.6         #i,one          d2onoesy,intra                 
         HA     54 THR  H       3.5         #               n15noesy            
         QB     54 THR  H       4.6         #i,one          n15noesy
         CG     54 THR  H       7.8         #r,dd           n15noesy                       
         CG     54 THR  HA      7.8         #r,dd           d2onoesy
         HA     54 THR  QG2     7.0         #m,Me           d2onoesy                       
         CG     54 THR  QG2     8.4         #r,dd,m,Me      d2onoesy
         QB     55 ILE  HA      6.0         #m,one          d2onoesy
         CG     64 ALA  HA      7.8         #r,dd           d2onoesy
         HA     64 ALA  QB      7.0         #m,Me           d2onoesy
         HB1    64 ALA  QB      7.0         #both,m,Me      d2onoesy                       
         HB2    64 ALA  QB      7.0         #both,m,Me      d2onoesy                       
         HA     66 ASN  QB      6.6         #m,db           d2onoesy
         HA     67 VAL  HA      5.0         #               d2onoesy                       
         QB     67 VAL  HA      6.0         #m,one          d2onoesy                       
         CG     67 VAL  HB      7.8         #r,dd           d2onoesy
         HA     67 VAL  QQG     9.2         #q,dMe          d2onoesy                       
         HB1    67 VAL  QQG     9.2         #both,q,dMe     d2onoesy                       
         HB2    67 VAL  QQG     9.2         #both,q,dMe     d2onoesy                       
         CG     67 VAL  QQG    10.2         #r,dd,q,dMe     d2onoesy
         H      68 THR  H       5.0         #               n15noesy
         HA     68 THR  H       5.0         #               n15noesy                   
         QB     68 THR  H       6.0         #m,one          n15noesy
 54 THR
         HA     54 THR  H       4.0         #               n15noesy
         HB     54 THR  H       5.0         #               n15noesy                       
         QG2    54 THR  H       7.0         #m,Me           n15noesy                       
         HB     54 THR  HA      2.5         #               d2onoesy,intra
         QG2    54 THR  HA      6.6         #i,Me           d2onoesy,intra
         H      55 ILE  H       5.0         #               n15noesy                   
         HA     55 ILE  H       4.0         #               n15noesy                   
         HA     55 ILE  QG1     6.0         #m,one          d2onoesy
         HA     55 ILE  QG2     7.0         #m,Me           d2onoesy
         H      64 ALA  HA      5.0         #               n15noesy                       
         H      64 ALA  QB      7.0         #m,Me           n15noesy                       
         H      65 GLY  H       5.0         #               n15noesy                   
         HB     65 GLY  QA      6.0         #m,one          d2onoesy
         QG2    65 GLY  QA      7.6         #m,Me,i,one     d2onoesy
         H      66 ASN  QB      6.6         #m,db           n15noesy
         QG2    66 ASN  QB      8.8         #m,Me,m,db      d2onoesy                       
         HB     66 ASN  HD22    5.5         #               n15noesy              
         QG2    66 ASN  HD21    7.0         #m,Me           n15noesy              
         QG2    66 ASN  HD22    7.0         #m,Me           n15noesy              
         H      67 VAL  QQG     9.2         #q,dMe          n15noesy                       
         QG2    67 VAL  QQG    10.2         #m,Me,q,dMe     d2onoesy                       
 55 ILE
         HB     55 ILE  H       4.0         #               n15noesy
         HG11   55 ILE  H       5.0         #both           n15noesy
         HG12   55 ILE  H       5.0         #both           n15noesy
         QG2    55 ILE  H       7.0         #m,Me           n15noesy
         HB     55 ILE  HA      3.0         #               d2onoesy,intra
         QG2    56 GLU  H       7.0         #m,Me           n15noesy                       
         QG2    57 SER  H       7.0         #m,Me           n15noesy                   
         QG2    62 PRO  HA      7.0         #m,Me           d2onoesy                       
         QG1    62 PRO  QB      7.0         #m,one,m,one    d2onoesy
         QG2    62 PRO  HB1     7.0         #both,m,Me      d2onoesy                       
         QG2    62 PRO  HB2     7.0         #both,m,Me      d2onoesy                       
         QG2    63 ALA  H       7.0         #m,Me           n15noesy                   
         HA     64 ALA  HA      5.0         #               d2onoesy
         HA     67 VAL  QQG     9.2         #q,dMe          d2onoesy
 56 GLU
         HB1    56 GLU  H       5.0         #both           n15noesy
         HB2    56 GLU  H       5.0         #both           n15noesy
         QB     56 GLU  HA      3.6         #i,one          d2onoesy,intra                 
         QG     56 GLU  HA      6.0         #m,one          d2onoesy,intra                 
         HA     57 SER  H       3.5         #               n15noesy
         HB1    57 SER  H       5.0         #both           n15noesy
         HB2    57 SER  H       5.0         #both           n15noesy
         H      63 ALA  H       5.0         #               n15noesy
         H      63 ALA  O       2.0         #               H-BOND                 
         N      63 ALA  O       3.0         #               H-BOND                 
         QG     63 ALA  QB      8.0         #m,one,m,Me     d2onoesy                       
         H      64 ALA  HA      5.0         #               n15noesy                       
 57 SER
         HA     57 SER  H       4.0         #               n15noesy             
         HB1    57 SER  H       4.0         #both           n15noesy
         HB2    57 SER  H       4.0         #both           n15noesy
         H      58 GLY  H       5.0         #               n15noesy             
         HA     58 GLY  H       4.0         #               n15noesy            
         HA     62 PRO  HA      5.0         #               d2onoesy
         QB     62 PRO  HA      6.0         #m,one          d2onoesy
         HA     63 ALA  H       5.0         #               n15noesy             
 58 GLY
         HA1    58 GLY  H       5.0         #both           n15noesy             
         HA2    58 GLY  H       5.0         #both           n15noesy             
         QA     59 ALA  H       4.6         #i,one          n15noesy             
         H      61 GLY  H       5.0         #               n15noesy            
 59 ALA
         QB     59 ALA  H       5.4         #i,Me           n15noesy            
         QB     59 ALA  HA      4.2         #i,Me           d2onoesy
         HA     60 LYS  H       5.0         #               n15noesy             
         QB     60 LYS  H       5.8         #m,Me           n15noesy
 60 LYS
         HA     60 LYS  H       4.0         #               n15noesy            
         HB1    60 LYS  H       5.0         #both           n15noesy
         HB2    60 LYS  H       5.0         #both           n15noesy
         QG     60 LYS  H       6.0         #m,one          n15noesy
         HB1    60 LYS  HA      3.0         #both           d2onoesy,intra      
         HB2    60 LYS  HA      3.0         #both           d2onoesy,intra      
         QE     60 LYS  QG      7.6         #m,de,m,one     d2onoesy,intra      
         H      61 GLY  H       4.0         #               n15noesy             
         QB     61 GLY  H       5.6         #i,one          n15noesy               
 61 GLY
         HA1    61 GLY  H       4.0         #both           n15noesy             
         HA2    61 GLY  H       4.0         #both           n15noesY           
         H      62 PRO  QD      6.0         #m,one          n15noesy              
 62 PRO
         HA     63 ALA  H       3.0         #               n15noesy
         QB     63 ALA  H       5.6         #i,one          n15noesy             
         HA     63 ALA  QB      5.8         #m,Me           d2onoesy
         QD     63 ALA  QB      8.0         #m,one,m,Me     d2onoesy
 63 ALA
         HA     63 ALA  H       5.0         #               n15noesy             
         QB     63 ALA  H       5.2         #i,Me           n15noesy            
         QB     63 ALA  HA      4.2         #i,Me           d2onoesy            
         HA     64 ALA  H       3.0         #               n15noesy             
         QB     64 ALA  H       5.8         #m,Me           n15noesy                      
         HA     64 ALA  QB      5.8         #m,Me           d2onoesy
 64 ALA
         QB     64 ALA  H       4.2         #i,Me           n15noesy             
         QB     64 ALA  HA      4.2         #i,Me           d2onoesy             
         HA     65 GLY  H       3.0         #               n15noesy             
         QB     65 GLY  H       5.8         #m,Me           n15noesy
         QB     67 VAL  QQG    12.0         #m,Me,q,dMe     d2onoesy                      
 65 GLY
         HA1    65 GLY  H       4.0         #both           n15noesy
         HA2    65 GLY  H       4.0         #both           n15noesy                
         HA1    66 ASN  H       4.0         #both           n15noesy            
         HA2    66 ASN  H       4.0         #both           n15noesy            
         QA     66 ASN  HD21    6.0         #m,one          n15noesy            
 66 ASN
         HA     66 ASN  H       3.0         #               n15noesy            
         QB     66 ASN  H       5.1         #i,db           n15noesy            
         QB     66 ASN  HA      4.0         #i,db           d2onoesy,intra                 
         HD21   66 ASN  QB      6.2         #i,db           n15noesy            
         HD22   66 ASN  QB      6.2         #i,db           n15noesy
         HA     67 VAL  H       4.0         #               n15noesy
         H      67 VAL  H       4.0         #               n15noesy            
         H      67 VAL  QQG     9.2         #q,dMe          n15noesy            
 67 VAL
         HA     67 VAL  H       4.0         #               n15noesy                       
         HB     67 VAL  H       4.0         #               n15noesy
         QQG    67 VAL  H       7.7         #s,dMe          n15noesy                       
         HB     67 VAL  HA      3.5         #               d2onoesy,intra
         QQG    67 VAL  HA      7.2         #i,dMe          d2onoesy,intra                 
         HB     68 THR  H       5.0         #               n15noesy                   
         QQG    68 THR  H       7.8         #q,dMe          n15noesy                   
         HB     68 THR  HA      5.0         #               d2onoesy
         QQG    68 THR  HA      7.8         #q,dMe          d2onoesy
         QQG    69 SER  H       9.2         #q,dMe          n15noesy
 68 THR
         HB     68 THR  H       5.0         #               n15noesy                       
         QG2    68 THR  H       7.0         #m,Me           n15noesy                       
         HB     68 THR  HA      3.0         #               d2onoesy,intra
         QG2    68 THR  HA      6.6         #i,Me           d2onoesy,intra
         HA     69 SER  H       3.0         #               n15noesy
         HB     69 SER  H       4.0         #               n15noesy
         QG2    69 SER  H       7.0         #m,Me           n15noesy                       
 69 SER
         HA     69 SER  H       4.0         #               n15noesy                       
         QB     69 SER  H       4.6         #i,one          n15noesy                       
         QB     69 SER  HA      3.6         #i,one          d2onoesy,intra                 
         HA     70 LEU  H       3.0         #               n15noesy          
         HB1    70 LEU  H       5.0         #both           n15noesy             
         HB2    70 LEU  H       5.0         #both           n15noesy            
 70 LEU
         HA     70 LEU  H       4.0         #               n15noesy            
         QB     70 LEU  H       5.1         #i,db           n15noesy            
         HG     70 LEU  H       5.0         #               n15noesy                   
         QQD    70 LEU  H       9.0         #r,dMe          n15noesy                       
         QB     70 LEU  HA      4.0         #i,db           d2onoesy,intra      
         HG     70 LEU  HA      5.0         #               d2onoesy,intra      
         QQD    70 LEU  HA      7.7         #s,dMe          d2onoesy,intra      
END
REMARK
REMARK   LOWER-BOUND CONSTRAINTS
REMARK
  7 GLY
         H      51 VAL  O       1.80
         N      51 VAL  O       2.70
  8 ILE
         H      22 THR  O       1.80
         N      22 THR  O       2.70
  9 VAL
         H      49 GLN  O       1.80
         N      49 GLN  O       2.70
 11 TRP 
         H      20 PHE  O       1.80
         N      20 PHE  O       2.70
 18 PHE 
         H      13 ASN  O       1.80
         N      13 ASN  O       2.70
 19 GLY 
         H      32 VAL  O       1.80
         N      32 VAL  O       2.70
 21 ILE 
         H      30 VAL  O       1.80 
         N      30 VAL  O       2.70 
 22 THR 
         H       8 ILE  O       1.80 
         N       8 ILE  O       2.70 
 30 VAL
         H      21 ILE  O       1.80 
         N      21 ILE  O       2.70
 32 VAL 
         H      19 GLY  O       1.80
         N      19 GLY  O       2.70
 49 GLN 
         H       9 VAL  O       1.80
         N       9 VAL  O       2.70
 51 VAL
         H       7 GLY  O       1.80
         N       7 GLY  O       2.70
 52 SER
         H      68 THR  O       1.80
         N      68 THR  O       2.70
 53 PHE 
         H       5 MET  O       1.80
         N       5 MET  O       2.70
 56 GLU 
         H      63 ALA  O       1.80
         N      63 ALA  O       2.70
 70 LEU 
         H      50 LYS  O       1.80
         N      50 LYS  O       2.70
END
REMARK
REMARK  DIHEDRAL-ANGLE CONSTRAINTS
REMARK
REMARK  Angle constraint file built by HYPER 
REMARK  Expand ang ranges that are less than 60 degs to 60 deg.
REMARK
   4 LYS   PHI    -170.0    10.0
   4 LYS   PSI     110.0  -150.0
   4 LYS   CHI1   -100.0     0.0
   5 MET   PHI    -179.0   -70.0
   5 MET   PSI      90.0  -150.0
   5 MET   CHI1     10.0   120.0
   6 THR   PHI    -179.0   -60.0
   6 THR   PSI     140.0  -150.0
   6 THR   CHI1     70.0   170.0
   8 ILE   PHI    -160.0     0.0
   8 ILE   PSI     110.0  -170.0
   8 ILE   CHI1    100.0   170.0
   9 VAL   PHI    -179.0    30.0
   9 VAL   PSI      10.0  -140.0
  11 TRP   CHI1    -90.0     0.0
  12 PHE   PSI      40.0  -170.0
  12 PHE   CHI1      0.0   120.0
  13 ASN   PHI    -170.0   100.0
  13 ASN   PSI      40.0  -170.0
  13 ASN   CHI1   -140.0   140.0
  16 LYS   PHI    -130.0   -50.0
  16 LYS   PSI    -120.0   -20.0
  16 LYS   CHI1      0.0   120.0
  20 PHE   PHI    -150.0    90.0
  20 PHE   PSI     110.0  -160.0
  21 ILE   PHI    -179.0   -60.0
  21 ILE   PSI     110.0  -140.0
  21 ILE   CHI1   -179.0   -20.0
  22 THR   PHI    -160.0   -80.0
  22 THR   CHI1    170.0   -20.0
  23 PRO   PSI      30.0  -160.0
  24 ASP   PSI    -110.0     0.0
  24 ASP   CHI1    -80.0   110.0
  24 ASP   PHI    -179.0    20.0
  25 ASP   PHI     170.0   120.0
  25 ASP   PSI    -110.0     0.0
  25 ASP   CHI1    -60.0   180.0
  28 LYS   PHI     170.0   130.0
  28 LYS   PSI      50.0  -170.0
  29 ASP   PHI    -160.0    70.0
  29 ASP   PSI     100.0  -150.0
  29 ASP   CHI1      0.0   110.0
  30 VAL   PHI    -179.0   -60.0
  30 VAL   PSI     100.0  -140.0
  30 VAL   CHI1   -110.0    30.0
  31 PHE   PSI    -170.0   179.0
  31 PHE   PHI     -90.0    10.0
  31 PHE   CHI1   -140.0   130.0
  32 VAL   PHI    -160.0    80.0
  32 VAL   PSI     120.0  -170.0
  32 VAL   CHI1    -50.0    40.0
  35 SER   PHI    -170.0   110.0
  35 SER   PSI    -100.0    60.0
  37 ILE   PHI    -170.0   100.0
  37 ILE   PSI    -179.0    60.0
  37 ILE   CHI1     60.0   180.0
  38 GLN   PSI       0.0   100.0
  38 GLN   PHI    -160.0    90.0
  38 GLN   CHI1    150.0   -30.0
  42 TYR   PHI    -170.0    30.0
  42 TYR   PSI      50.0   120.0
  42 TYR   CHI1    -90.0  -150.0
  44 SER   PHI    -170.0    80.0
  44 SER   PSI     100.0  -140.0
  44 SER   CHI1   -110.0     0.0
  45 LEU   PHI    -179.0    30.0
  45 LEU   PSI     120.0  -140.0
  45 LEU   CHI1    170.0   -30.0
  49 GLN   PSI      90.0  -170.0
  49 GLN   CHI1    -60.0   179.0
  49 GLN   PHI    -179.0    30.0
  50 LYS   PHI    -170.0   -70.0
  50 LYS   PSI      50.0  -170.0
  50 LYS   CHI1   -160.0   -80.0
  51 VAL   PHI    -179.0   -60.0
  51 VAL   PSI     110.0  -140.0
  51 VAL   CHI1    -90.0    40.0
  53 PHE   PHI    -170.0    90.0
  53 PHE   PSI     110.0  -130.0
  53 PHE   CHI1   -179.0   110.0
  54 THR   PHI    -179.0   -60.0
  54 THR   PSI      30.0   100.0
  54 THR   CHI1     90.0   170.0
  55 ILE   PHI    -160.0    90.0
  55 ILE   CHI1    170.0    30.0
  56 GLU   PHI    -179.0   -60.0
  56 GLU   PSI     120.0  -140.0
  56 GLU   CHI1   -110.0     0.0
  57 SER   PHI    -160.0    80.0
  57 SER   PSI      30.0   140.0
  57 SER   CHI1    170.0   150.0
  62 PRO   PSI     110.0  -170.0
  66 ASN   PHI      20.0   100.0
  66 ASN   PSI      20.0   110.0
  66 ASN   CHI1   -160.0   -80.0
  67 VAL   PHI    -170.0    30.0
  67 VAL   PSI     100.0     0.0
  67 VAL   CHI1   -140.0   140.0
  68 THR   PHI    -170.0   -60.0
  68 THR   PSI     120.0  -130.0
  68 THR   CHI1     90.0  -160.0
  69 SER   PHI     -90.0    40.0
  69 SER   PSI     110.0  -170.0
  69 SER   CHI1      0.0    80.0
  70 LEU   PHI    -160.0    70.0
  70 LEU   CHI1     30.0   -10.0
END
ENDFILE

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1    H    SER   2           H        SER   2 -12.899  -0.953  -0.953
    2    HA   SER   2           HA       SER   2 -12.744  -1.941  -1.941
    3   1HB   SER   2          2HB       SER   2 -13.695   0.862   0.862
    4   2HB   SER   2          1HB       SER   2 -12.290   0.572   0.572
    5    HG   SER   2           HG       SER   2 -13.577  -0.422  -0.422
    6    H    GLY   3           H        GLY   3 -10.867  -2.709  -2.709
    7   1HA   GLY   3          1HA       GLY   3  -8.818  -0.726  -0.726
    8   2HA   GLY   3          2HA       GLY   3  -8.748  -2.485  -2.485
    9    H    LYS   4           H        LYS   4  -9.532  -0.624  -0.624
   10    HA   LYS   4           HA       LYS   4  -7.001  -1.646  -1.646
   11   1HB   LYS   4          2HB       LYS   4  -9.789  -2.019  -2.019
   12   2HB   LYS   4          1HB       LYS   4  -8.544  -1.698  -1.698
   13   1HG   LYS   4          2HG       LYS   4  -8.409  -4.015  -4.015
   14   2HG   LYS   4          1HG       LYS   4  -7.203  -3.545  -3.545
   15   1HD   LYS   4          2HD       LYS   4  -8.720  -5.311  -5.311
   16   2HD   LYS   4          1HD       LYS   4  -8.891  -3.809  -3.809
   17   1HE   LYS   4          2HE       LYS   4 -10.695  -3.992  -3.992
   18   2HE   LYS   4          1HE       LYS   4 -10.972  -5.258  -5.258
   19   1HZ   LYS   4          1HZ       LYS   4 -10.876  -2.351  -2.351
   20   2HZ   LYS   4          3HZ       LYS   4 -12.254  -3.291  -3.291
   21   3HZ   LYS   4          2HZ       LYS   4 -11.152  -3.528  -3.528
   22    H    MET   5           H        MET   5  -6.279  -0.372  -0.372
   23    HA   MET   5           HA       MET   5  -7.344   2.407   2.407
   24   1HB   MET   5          2HB       MET   5  -4.778   3.007   3.007
   25   2HB   MET   5          1HB       MET   5  -5.491   2.818   2.818
   26   1HG   MET   5          2HG       MET   5  -4.683   0.456   0.456
   27   2HG   MET   5          1HG       MET   5  -3.963   0.677   0.677
   28   1HE   MET   5          1HE       MET   5  -2.511  -0.255  -0.255
   29   2HE   MET   5          3HE       MET   5  -1.742   1.075   1.075
   30   3HE   MET   5          2HE       MET   5  -3.505   0.876   0.876
   31    H    THR   6           H        THR   6  -7.371   3.361   3.361
   32    HA   THR   6           HA       THR   6  -6.613   1.577   1.577
   33    HB   THR   6           HB       THR   6  -8.150   3.013   3.013
   34    HG1  THR   6           HG1      THR   6  -7.833   5.005   5.005
   35   1HG2  THR   6          2HG2      THR   6  -9.003   2.165   2.165
   36   2HG2  THR   6          1HG2      THR   6 -10.081   3.257   3.257
   37   3HG2  THR   6          3HG2      THR   6  -9.691   1.664   1.664
   38    H    GLY   7           H        GLY   7  -5.452   2.481   2.481
   39   1HA   GLY   7          1HA       GLY   7  -4.077   5.004   5.004
   40   2HA   GLY   7          2HA       GLY   7  -3.006   3.682   3.682
   41    H    ILE   8           H        ILE   8  -1.726   4.204   4.204
   42    HA   ILE   8           HA       ILE   8  -2.730   2.644   2.644
   43    HB   ILE   8           HB       ILE   8  -2.867   4.204   4.204
   44   1HG1  ILE   8          2HG1      ILE   8  -0.658   5.618   5.618
   45   2HG1  ILE   8          1HG1      ILE   8  -0.701   5.033   5.033
   46   1HG2  ILE   8          1HG2      ILE   8  -3.324   5.888   5.888
   47   2HG2  ILE   8          3HG2      ILE   8  -3.877   6.314   6.314
   48   3HG2  ILE   8          2HG2      ILE   8  -4.516   4.870   4.870
   49   1HD1  ILE   8          1HD1      ILE   8  -2.274   7.415   7.415
   50   2HD1  ILE   8          3HD1      ILE   8  -0.805   7.505   7.505
   51   3HD1  ILE   8          2HD1      ILE   8  -2.311   6.848   6.848
   52    H    VAL   9           H        VAL   9  -1.083   1.583   1.583
   53    HA   VAL   9           HA       VAL   9   1.540   1.745   1.745
   54    HB   VAL   9           HB       VAL   9   0.409  -0.364  -0.364
   55   1HG1  VAL   9          1HG1      VAL   9   0.949   0.333   0.333
   56   2HG1  VAL   9          3HG1      VAL   9   0.410  -1.261  -1.261
   57   3HG1  VAL   9          2HG1      VAL   9  -0.641   0.159   0.159
   58   1HG2  VAL   9          1HG2      VAL   9   2.847  -0.322  -0.322
   59   2HG2  VAL   9          3HG2      VAL   9   2.400  -1.546  -1.546
   60   3HG2  VAL   9          2HG2      VAL   9   3.081   0.012   0.012
   61    H    LYS  10           H        LYS  10   3.408   2.588   2.588
   62    HA   LYS  10           HA       LYS  10   3.011   4.056   4.056
   63   1HB   LYS  10          2HB       LYS  10   4.781   4.448   4.448
   64   2HB   LYS  10          1HB       LYS  10   5.277   5.115   5.115
   65   1HG   LYS  10          2HG       LYS  10   2.882   6.111   6.111
   66   2HG   LYS  10          1HG       LYS  10   2.780   5.716   5.716
   67   1HD   LYS  10          2HD       LYS  10   4.503   7.737   7.737
   68   2HD   LYS  10          1HD       LYS  10   3.569   7.912   7.912
   69   1HE   LYS  10          2HE       LYS  10   5.286   6.131   6.131
   70   2HE   LYS  10          1HE       LYS  10   6.283   6.649   6.649
   71   1HZ   LYS  10          1HZ       LYS  10   5.156   8.414   8.414
   72   2HZ   LYS  10          3HZ       LYS  10   6.745   7.910   7.910
   73   3HZ   LYS  10          2HZ       LYS  10   6.103   8.907   8.907
   74    H    TRP  11           H        TRP  11   5.642   2.186   2.186
   75    HA   TRP  11           HA       TRP  11   6.302   1.057   1.057
   76   1HB   TRP  11          2HB       TRP  11   8.503   1.326   1.326
   77   2HB   TRP  11          1HB       TRP  11   8.489   1.515   1.515
   78    HD1  TRP  11           HD1      TRP  11   8.487   3.633   3.633
   79    HE1  TRP  11           HE1      TRP  11   8.316   6.016   6.016
   80    HE3  TRP  11           HE3      TRP  11   7.282   3.176   3.176
   81    HZ2  TRP  11           HZ2      TRP  11   7.694   7.714   7.714
   82    HZ3  TRP  11           HZ3      TRP  11   6.924   5.298   5.298
   83    HH2  TRP  11           HH2      TRP  11   7.112   7.468   7.468
   84    H    PHE  12           H        PHE  12   7.315  -1.115  -1.115
   85    HA   PHE  12           HA       PHE  12   7.336  -2.647  -2.647
   86   1HB   PHE  12          2HB       PHE  12   5.217  -3.276  -3.276
   87   2HB   PHE  12          1HB       PHE  12   4.808  -2.299  -2.299
   88    HD1  PHE  12           HD1      PHE  12   4.658  -3.265  -3.265
   89    HD2  PHE  12           HD2      PHE  12   5.598  -5.716  -5.716
   90    HE1  PHE  12           HE1      PHE  12   4.161  -5.312  -5.312
   91    HE2  PHE  12           HE2      PHE  12   5.100  -7.758  -7.758
   92    HZ   PHE  12           HZ       PHE  12   4.381  -7.560  -7.560
   93    H    ASN  13           H        ASN  13   8.844  -4.197  -4.197
   94    HA   ASN  13           HA       ASN  13   9.396  -5.002  -5.002
   95   1HB   ASN  13          2HB       ASN  13  11.183  -5.289  -5.289
   96   2HB   ASN  13          1HB       ASN  13  11.637  -5.588  -5.588
   97   1HD2  ASN  13          1HD2      ASN  13  10.794  -3.567  -3.567
   98   2HD2  ASN  13          2HD2      ASN  13  11.440  -2.015  -2.015
   99    H    ALA  14           H        ALA  14   9.215  -7.132  -7.132
  100    HA   ALA  14           HA       ALA  14   8.270  -9.029  -9.029
  101   1HB   ALA  14          3HB       ALA  14   6.843  -8.675  -8.675
  102   2HB   ALA  14          2HB       ALA  14   8.211  -9.175  -9.175
  103   3HB   ALA  14          1HB       ALA  14   7.468 -10.345 -10.345
  104    H    ASP  15           H        ASP  15  10.992  -8.147  -8.147
  105    HA   ASP  15           HA       ASP  15  12.075 -10.808 -10.808
  106   1HB   ASP  15          2HB       ASP  15  14.252  -9.369  -9.369
  107   2HB   ASP  15          1HB       ASP  15  13.017  -9.298  -9.298
  108    H    LYS  16           H        LYS  16  12.344  -8.212  -8.212
  109    HA   LYS  16           HA       LYS  16  14.262  -9.873  -9.873
  110   1HB   LYS  16          2HB       LYS  16  14.477  -7.882  -7.882
  111   2HB   LYS  16          1HB       LYS  16  14.889  -7.575  -7.575
  112   1HG   LYS  16          2HG       LYS  16  12.807  -6.444  -6.444
  113   2HG   LYS  16          1HG       LYS  16  12.123  -7.034  -7.034
  114   1HD   LYS  16          2HD       LYS  16  12.711  -4.899  -4.899
  115   2HD   LYS  16          1HD       LYS  16  14.245  -5.723  -5.723
  116   1HE   LYS  16          2HE       LYS  16  13.836  -4.652  -4.652
  117   2HE   LYS  16          1HE       LYS  16  14.088  -3.463  -3.463
  118   1HZ   LYS  16          1HZ       LYS  16  15.855  -5.751  -5.751
  119   2HZ   LYS  16          3HZ       LYS  16  16.144  -4.152  -4.152
  120   3HZ   LYS  16          2HZ       LYS  16  16.107  -4.634  -4.634
  121    H    GLY  17           H        GLY  17  10.938  -8.555  -8.555
  122   1HA   GLY  17          1HA       GLY  17   9.164  -9.773  -9.773
  123   2HA   GLY  17          2HA       GLY  17  10.337 -10.540 -10.540
  124    H    PHE  18           H        PHE  18   9.708  -7.092  -7.092
  125    HA   PHE  18           HA       PHE  18   8.655  -6.362  -6.362
  126   1HB   PHE  18          2HB       PHE  18  11.551  -5.897  -5.897
  127   2HB   PHE  18          1HB       PHE  18  10.667  -4.716  -4.716
  128    HD1  PHE  18           HD1      PHE  18   9.521  -5.460  -5.460
  129    HD2  PHE  18           HD2      PHE  18  12.424  -7.879  -7.879
  130    HE1  PHE  18           HE1      PHE  18   9.928  -6.776  -6.776
  131    HE2  PHE  18           HE2      PHE  18  12.824  -9.191  -9.191
  132    HZ   PHE  18           HZ       PHE  18  11.578  -8.643  -8.643
  133    H    GLY  19           H        GLY  19   8.080  -4.066  -4.066
  134   1HA   GLY  19          1HA       GLY  19   8.448  -2.460  -2.460
  135   2HA   GLY  19          2HA       GLY  19   6.791  -3.051  -3.051
  136    H    PHE  20           H        PHE  20   6.784  -0.438  -0.438
  137    HA   PHE  20           HA       PHE  20   6.754   0.313   0.313
  138   1HB   PHE  20          2HB       PHE  20   8.253   1.531   1.531
  139   2HB   PHE  20          1HB       PHE  20   7.335   2.651   2.651
  140    HD1  PHE  20           HD2      PHE  20   9.444  -0.406  -0.406
  141    HD2  PHE  20           HD1      PHE  20   8.626   3.756   3.756
  142    HE1  PHE  20           HE2      PHE  20  11.241  -0.395  -0.395
  143    HE2  PHE  20           HE1      PHE  20  10.425   3.758   3.758
  144    HZ   PHE  20           HZ       PHE  20  11.735   1.684   1.684
  145    H    ILE  21           H        ILE  21   4.767   0.988   0.988
  146    HA   ILE  21           HA       ILE  21   2.933   1.795   1.795
  147    HB   ILE  21           HB       ILE  21   2.210   1.033   1.033
  148   1HG1  ILE  21          2HG1      ILE  21   2.952  -0.667  -0.667
  149   2HG1  ILE  21          1HG1      ILE  21   3.093  -0.989  -0.989
  150   1HG2  ILE  21          1HG2      ILE  21   0.585   1.152   1.152
  151   2HG2  ILE  21          3HG2      ILE  21  -0.014   0.541   0.541
  152   3HG2  ILE  21          2HG2      ILE  21   0.456   2.243   2.243
  153   1HD1  ILE  21          1HD1      ILE  21   0.504  -1.069  -1.069
  154   2HD1  ILE  21          3HD1      ILE  21   1.431  -2.485  -2.485
  155   3HD1  ILE  21          2HD1      ILE  21   0.638  -1.410  -1.410
  156    H    THR  22           H        THR  22   1.283   3.548   3.548
  157    HA   THR  22           HA       THR  22   2.529   5.538   5.538
  158    HB   THR  22           HB       THR  22   2.092   5.795   5.795
  159    HG1  THR  22           HG1      THR  22   3.903   6.026   6.026
  160   1HG2  THR  22          2HG2      THR  22   1.166   7.788   7.788
  161   2HG2  THR  22          1HG2      THR  22   2.139   8.406   8.406
  162   3HG2  THR  22          3HG2      THR  22   0.594   7.598   7.598
  163    HA   PRO  23           HA       PRO  23  -1.819   5.080   5.080
  164   1HB   PRO  23          2HB       PRO  23  -1.349   5.678   5.678
  165   2HB   PRO  23          1HB       PRO  23  -1.298   4.041   4.041
  166   1HG   PRO  23          2HG       PRO  23   0.900   5.789   5.789
  167   2HG   PRO  23          1HG       PRO  23   0.883   4.038   4.038
  168   1HD   PRO  23          2HD       PRO  23   1.995   6.061   6.061
  169   2HD   PRO  23          1HD       PRO  23   1.875   4.319   4.319
  170    H    ASP  24           H        ASP  24  -3.382   6.594   6.594
  171    HA   ASP  24           HA       ASP  24  -2.793   9.265   9.265
  172   1HB   ASP  24          2HB       ASP  24  -5.187   9.625   9.625
  173   2HB   ASP  24          1HB       ASP  24  -4.971   8.733   8.733
  174    H    ASP  25           H        ASP  25  -4.358   8.190   8.190
  175    HA   ASP  25           HA       ASP  25  -3.773  10.571  10.571
  176   1HB   ASP  25          2HB       ASP  25  -3.912   7.781   7.781
  177   2HB   ASP  25          1HB       ASP  25  -4.245   9.316   9.316
  178    H    GLY  26           H        GLY  26  -1.870   7.600   7.600
  179   1HA   GLY  26          1HA       GLY  26   0.268   8.539   8.539
  180   2HA   GLY  26          2HA       GLY  26   0.191   6.979   6.979
  181    H    SER  27           H        SER  27   0.393  10.544  10.544
  182    HA   SER  27           HA       SER  27   1.185  10.560  10.560
  183   1HB   SER  27          2HB       SER  27   1.167  12.420  12.420
  184   2HB   SER  27          1HB       SER  27   2.916  12.215  12.215
  185    HG   SER  27           HG       SER  27   2.029  12.402  12.402
  186    H    LYS  28           H        LYS  28   3.071   9.437   9.437
  187    HA   LYS  28           HA       LYS  28   5.604   9.379   9.379
  188   1HB   LYS  28          2HB       LYS  28   4.314   7.897   7.897
  189   2HB   LYS  28          1HB       LYS  28   5.911   7.381   7.381
  190   1HG   LYS  28          2HG       LYS  28   6.490   9.946   9.946
  191   2HG   LYS  28          1HG       LYS  28   5.067  10.013  10.013
  192   1HD   LYS  28          2HD       LYS  28   7.649   8.459   8.459
  193   2HD   LYS  28          1HD       LYS  28   6.917   9.654   9.654
  194   1HE   LYS  28          2HE       LYS  28   4.911   7.862   7.862
  195   2HE   LYS  28          1HE       LYS  28   6.237   6.755   6.755
  196   1HZ   LYS  28          1HZ       LYS  28   6.150   8.568   8.568
  197   2HZ   LYS  28          3HZ       LYS  28   5.891   6.918   6.918
  198   3HZ   LYS  28          2HZ       LYS  28   7.388   7.523   7.523
  199    H    ASP  29           H        ASP  29   6.634   6.833   6.833
  200    HA   ASP  29           HA       ASP  29   4.925   5.384   5.384
  201   1HB   ASP  29          2HB       ASP  29   7.234   4.807   4.807
  202   2HB   ASP  29          1HB       ASP  29   6.442   6.341   6.341
  203    H    VAL  30           H        VAL  30   4.816   3.208   3.208
  204    HA   VAL  30           HA       VAL  30   6.753   2.104   2.104
  205    HB   VAL  30           HB       VAL  30   4.967   0.550   0.550
  206   1HG1  VAL  30          1HG1      VAL  30   4.353   3.516   3.516
  207   2HG1  VAL  30          3HG1      VAL  30   3.683   2.195   2.195
  208   3HG1  VAL  30          2HG1      VAL  30   5.427   2.527   2.527
  209   1HG2  VAL  30          1HG2      VAL  30   3.555   0.659   0.659
  210   2HG2  VAL  30          3HG2      VAL  30   2.609   1.118   1.118
  211   3HG2  VAL  30          2HG2      VAL  30   3.188   2.366   2.366
  212    H    PHE  31           H        PHE  31   7.308  -0.199  -0.199
  213    HA   PHE  31           HA       PHE  31   7.536  -0.885  -0.885
  214   1HB   PHE  31          2HB       PHE  31   9.357  -2.083  -2.083
  215   2HB   PHE  31          1HB       PHE  31   9.351  -0.953  -0.953
  216    HD1  PHE  31           HD1      PHE  31   8.140  -4.403  -4.403
  217    HD2  PHE  31           HD2      PHE  31   9.295  -1.695  -1.695
  218    HE1  PHE  31           HE1      PHE  31   8.036  -6.268  -6.268
  219    HE2  PHE  31           HE2      PHE  31   9.188  -3.567  -3.567
  220    HZ   PHE  31           HZ       PHE  31   8.560  -5.854  -5.854
  221    H    VAL  32           H        VAL  32   6.926  -2.982  -2.982
  222    HA   VAL  32           HA       VAL  32   5.054  -4.501  -4.501
  223    HB   VAL  32           HB       VAL  32   3.512  -3.185  -3.185
  224   1HG1  VAL  32          1HG1      VAL  32   5.081  -3.389  -3.389
  225   2HG1  VAL  32          3HG1      VAL  32   3.525  -2.538  -2.538
  226   3HG1  VAL  32          2HG1      VAL  32   4.971  -1.969  -1.969
  227   1HG2  VAL  32          1HG2      VAL  32   2.946  -5.553  -5.553
  228   2HG2  VAL  32          3HG2      VAL  32   2.357  -4.582  -4.582
  229   3HG2  VAL  32          2HG2      VAL  32   3.820  -5.571  -5.571
  230    H    HIS  33           H        HIS  33   4.551  -6.690  -6.690
  231    HA   HIS  33           HA       HIS  33   6.685  -7.531  -7.531
  232   1HB   HIS  33          2HB       HIS  33   6.979  -9.609  -9.609
  233   2HB   HIS  33          1HB       HIS  33   7.536  -8.131  -8.131
  234    HD1  HIS  33           HD1      HIS  33   3.884  -9.577  -9.577
  235    HD2  HIS  33           HD2      HIS  33   6.981  -8.775  -8.775
  236    HE1  HIS  33           HE1      HIS  33   2.980  -9.993  -9.993
  237    H    PHE  34           H        PHE  34   6.179  -9.828  -9.828
  238    HA   PHE  34           HA       PHE  34   3.273  -9.876  -9.876
  239   1HB   PHE  34          2HB       PHE  34   3.923 -10.976 -10.976
  240   2HB   PHE  34          1HB       PHE  34   5.161  -9.753  -9.753
  241    HD1  PHE  34           HD2      PHE  34   7.303 -10.553 -10.553
  242    HD2  PHE  34           HD1      PHE  34   4.646 -13.171 -13.171
  243    HE1  PHE  34           HE2      PHE  34   9.087 -12.281 -12.281
  244    HE2  PHE  34           HE1      PHE  34   6.435 -14.892 -14.892
  245    HZ   PHE  34           HZ       PHE  34   8.656 -14.451 -14.451
  246    H    SER  35           H        SER  35   3.969 -10.723 -10.723
  247    HA   SER  35           HA       SER  35   3.477 -13.642 -13.642
  248   1HB   SER  35          2HB       SER  35   5.754 -12.846 -12.846
  249   2HB   SER  35          1HB       SER  35   4.775 -12.458 -12.458
  250    HG   SER  35           HG       SER  35   4.009 -14.753 -14.753
  251    H    ALA  36           H        ALA  36   1.731 -11.113 -11.113
  252    HA   ALA  36           HA       ALA  36  -0.266 -12.235 -12.235
  253   1HB   ALA  36          3HB       ALA  36   1.277 -11.158 -11.158
  254   2HB   ALA  36          2HB       ALA  36   1.133  -9.622  -9.622
  255   3HB   ALA  36          1HB       ALA  36  -0.297 -10.319 -10.319
  256    H    ILE  37           H        ILE  37   0.000 -11.391 -11.391
  257    HA   ILE  37           HA       ILE  37  -1.418  -8.831  -8.831
  258    HB   ILE  37           HB       ILE  37   0.329  -9.148  -9.148
  259   1HG1  ILE  37          2HG1      ILE  37  -2.136  -9.441  -9.441
  260   2HG1  ILE  37          1HG1      ILE  37  -1.922  -8.032  -8.032
  261   1HG2  ILE  37          1HG2      ILE  37  -1.148 -11.614 -11.614
  262   2HG2  ILE  37          3HG2      ILE  37   0.284 -10.885 -10.885
  263   3HG2  ILE  37          2HG2      ILE  37   0.409 -11.577 -11.577
  264   1HD1  ILE  37          1HD1      ILE  37   0.033  -8.955  -8.955
  265   2HD1  ILE  37          3HD1      ILE  37  -1.093  -7.575  -7.575
  266   3HD1  ILE  37          2HD1      ILE  37   0.247  -7.534  -7.534
  267    H    GLN  38           H        GLN  38  -3.269  -8.960  -8.960
  268    HA   GLN  38           HA       GLN  38  -4.959 -11.313 -11.313
  269   1HB   GLN  38          2HB       GLN  38  -5.587  -8.474  -8.474
  270   2HB   GLN  38          1HB       GLN  38  -6.903  -9.470  -9.470
  271   1HG   GLN  38          2HG       GLN  38  -6.946  -9.695  -9.695
  272   2HG   GLN  38          1HG       GLN  38  -6.313 -11.217 -11.217
  273   1HE2  GLN  38          1HE2      GLN  38  -4.703  -8.072  -8.072
  274   2HE2  GLN  38          2HE2      GLN  38  -3.437  -8.561  -8.561
  275    H    ASN  39           H        ASN  39  -4.135 -11.779 -11.779
  276    HA   ASN  39           HA       ASN  39  -5.952 -10.574 -10.574
  277   1HB   ASN  39          2HB       ASN  39  -4.161 -10.179 -10.179
  278   2HB   ASN  39          1HB       ASN  39  -3.774  -9.287  -9.287
  279   1HD2  ASN  39          1HD2      ASN  39  -2.697 -10.941 -10.941
  280   2HD2  ASN  39          2HD2      ASN  39  -1.259 -11.755 -11.755
  281    H    ASP  40           H        ASP  40  -6.119 -13.084 -13.084
  282    HA   ASP  40           HA       ASP  40  -6.308 -15.315 -15.315
  283   1HB   ASP  40          2HB       ASP  40  -5.876 -14.349 -14.349
  284   2HB   ASP  40          1HB       ASP  40  -6.402 -15.981 -15.981
  285    H    GLY  41           H        GLY  41  -4.294 -14.910 -14.910
  286   1HA   GLY  41          1HA       GLY  41  -1.890 -15.872 -15.872
  287   2HA   GLY  41          2HA       GLY  41  -2.527 -16.856 -16.856
  288    H    TYR  42           H        TYR  42  -0.852 -16.550 -16.550
  289    HA   TYR  42           HA       TYR  42   0.703 -15.250 -15.250
  290   1HB   TYR  42          1HB       TYR  42  -1.733 -15.440 -15.440
  291   2HB   TYR  42          2HB       TYR  42  -1.705 -13.697 -13.697
  292    HD1  TYR  42           HD1      TYR  42   0.937 -16.202 -16.202
  293    HD2  TYR  42           HD2      TYR  42  -1.247 -12.583 -12.583
  294    HE1  TYR  42           HE1      TYR  42   2.265 -15.923 -15.923
  295    HE2  TYR  42           HE2      TYR  42   0.082 -12.306 -12.306
  296    HH   TYR  42           HH       TYR  42   2.873 -13.584 -13.584
  297    H    LYS  43           H        LYS  43   1.564 -14.242 -14.242
  298    HA   LYS  43           HA       LYS  43   0.663 -11.843 -11.843
  299   1HB   LYS  43          2HB       LYS  43   3.610 -12.377 -12.377
  300   2HB   LYS  43          1HB       LYS  43   2.716 -11.656 -11.656
  301   1HG   LYS  43          2HG       LYS  43   2.677 -14.568 -14.568
  302   2HG   LYS  43          1HG       LYS  43   3.382 -13.927 -13.927
  303   1HD   LYS  43          2HD       LYS  43   1.218 -13.394 -13.394
  304   2HD   LYS  43          1HD       LYS  43   0.438 -13.612 -13.612
  305   1HE   LYS  43          2HE       LYS  43   0.020 -15.533 -15.533
  306   2HE   LYS  43          1HE       LYS  43   0.912 -16.029 -16.029
  307   1HZ   LYS  43          1HZ       LYS  43   2.098 -15.428 -15.428
  308   2HZ   LYS  43          3HZ       LYS  43   1.853 -16.949 -16.949
  309   3HZ   LYS  43          2HZ       LYS  43   2.939 -15.908 -15.908
  310    H    SER  44           H        SER  44   0.349  -9.849  -9.849
  311    HA   SER  44           HA       SER  44   2.267  -8.593  -8.593
  312   1HB   SER  44          2HB       SER  44   0.117 -10.115 -10.115
  313   2HB   SER  44          1HB       SER  44   0.137  -8.403  -8.403
  314    HG   SER  44           HG       SER  44   1.588 -10.196 -10.196
  315    H    LEU  45           H        LEU  45   2.021  -6.392  -6.392
  316    HA   LEU  45           HA       LEU  45  -0.644  -5.402  -5.402
  317   1HB   LEU  45          2HB       LEU  45   1.725  -5.504  -5.504
  318   2HB   LEU  45          1HB       LEU  45   1.071  -3.862  -3.862
  319    HG   LEU  45           HG       LEU  45  -0.467  -6.304  -6.304
  320   1HD1  LEU  45          1HD1      LEU  45   0.690  -4.065  -4.065
  321   2HD1  LEU  45          3HD1      LEU  45  -0.425  -5.332  -5.332
  322   3HD1  LEU  45          2HD1      LEU  45   1.191  -5.768  -5.768
  323   1HD2  LEU  45          1HD2      LEU  45  -1.913  -4.612  -4.612
  324   2HD2  LEU  45          3HD2      LEU  45  -2.216  -4.676  -4.676
  325   3HD2  LEU  45          2HD2      LEU  45  -1.253  -3.356  -3.356
  326    H    ASP  46           H        ASP  46  -0.859  -3.004  -3.004
  327    HA   ASP  46           HA       ASP  46   0.777  -2.185  -2.185
  328   1HB   ASP  46          2HB       ASP  46  -1.927  -1.509  -1.509
  329   2HB   ASP  46          1HB       ASP  46  -1.060  -0.263  -0.263
  330    H    GLU  47           H        GLU  47   1.442   0.132   0.132
  331    HA   GLU  47           HA       GLU  47   2.468   0.962   0.962
  332   1HB   GLU  47          2HB       GLU  47   4.040   2.313   2.313
  333   2HB   GLU  47          1HB       GLU  47   3.944   0.790   0.790
  334   1HG   GLU  47          2HG       GLU  47   2.082   2.076   2.076
  335   2HG   GLU  47          1HG       GLU  47   2.864   3.523   3.523
  336    H    GLY  48           H        GLY  48   1.465   2.491   2.491
  337   1HA   GLY  48          1HA       GLY  48   0.359   4.496   4.496
  338   2HA   GLY  48          2HA       GLY  48   0.206   4.802   4.802
  339    H    GLN  49           H        GLN  49  -0.761   1.866   1.866
  340    HA   GLN  49           HA       GLN  49  -3.528   2.348   2.348
  341   1HB   GLN  49          2HB       GLN  49  -2.971   0.263   0.263
  342   2HB   GLN  49          1HB       GLN  49  -1.930  -0.140  -0.140
  343   1HG   GLN  49          2HG       GLN  49  -3.819  -0.605  -0.605
  344   2HG   GLN  49          1HG       GLN  49  -4.942   0.171   0.171
  345   1HE2  GLN  49          1HE2      GLN  49  -6.262  -1.572  -1.572
  346   2HE2  GLN  49          2HE2      GLN  49  -5.788  -3.056  -3.056
  347    H    LYS  50           H        LYS  50  -5.312   2.085   2.085
  348    HA   LYS  50           HA       LYS  50  -4.606   2.864   2.864
  349   1HB   LYS  50          2HB       LYS  50  -6.802   3.246   3.246
  350   2HB   LYS  50          1HB       LYS  50  -7.420   2.323   2.323
  351   1HG   LYS  50          2HG       LYS  50  -6.320   4.006   4.006
  352   2HG   LYS  50          1HG       LYS  50  -5.864   4.945   4.945
  353   1HD   LYS  50          2HD       LYS  50  -8.730   4.197   4.197
  354   2HD   LYS  50          1HD       LYS  50  -8.203   5.253   5.253
  355   1HE   LYS  50          2HE       LYS  50  -7.005   6.430   6.430
  356   2HE   LYS  50          1HE       LYS  50  -8.523   5.824   5.824
  357   1HZ   LYS  50          1HZ       LYS  50  -8.272   7.526   7.526
  358   2HZ   LYS  50          3HZ       LYS  50  -8.754   8.031   8.031
  359   3HZ   LYS  50          2HZ       LYS  50  -9.698   6.976   6.976
  360    H    VAL  51           H        VAL  51  -4.183   1.483   1.483
  361    HA   VAL  51           HA       VAL  51  -5.631  -1.094  -1.094
  362    HB   VAL  51           HB       VAL  51  -3.738  -2.389  -2.389
  363   1HG1  VAL  51          1HG1      VAL  51  -3.138  -0.383  -0.383
  364   2HG1  VAL  51          3HG1      VAL  51  -2.399  -2.001  -2.001
  365   3HG1  VAL  51          2HG1      VAL  51  -4.143  -1.839  -1.839
  366   1HG2  VAL  51          1HG2      VAL  51  -2.440  -0.915  -0.915
  367   2HG2  VAL  51          3HG2      VAL  51  -1.421  -1.483  -1.483
  368   3HG2  VAL  51          2HG2      VAL  51  -2.075   0.166   0.166
  369    H    SER  52           H        SER  52  -5.577  -2.138  -2.138
  370    HA   SER  52           HA       SER  52  -5.242  -0.053  -0.053
  371   1HB   SER  52          2HB       SER  52  -6.862  -1.990  -1.990
  372   2HB   SER  52          1HB       SER  52  -7.416  -0.460  -0.460
  373    HG   SER  52           HG       SER  52  -8.194  -2.774  -2.774
  374    H    PHE  53           H        PHE  53  -4.952  -1.166  -1.166
  375    HA   PHE  53           HA       PHE  53  -3.581  -3.735  -3.735
  376   1HB   PHE  53          2HB       PHE  53  -1.392  -2.496  -2.496
  377   2HB   PHE  53          1HB       PHE  53  -1.667  -2.918  -2.918
  378    HD1  PHE  53           HD1      PHE  53  -2.281  -1.190  -1.190
  379    HD2  PHE  53           HD2      PHE  53  -1.338  -0.141  -0.141
  380    HE1  PHE  53           HE1      PHE  53  -1.962   1.179   1.179
  381    HE2  PHE  53           HE2      PHE  53  -1.022   2.227   2.227
  382    HZ   PHE  53           HZ       PHE  53  -1.334   2.891   2.891
  383    H    THR  54           H        THR  54  -1.936  -3.206  -3.206
  384    HA   THR  54           HA       THR  54  -3.540  -1.744  -1.744
  385    HB   THR  54           HB       THR  54  -4.827  -3.820  -3.820
  386    HG1  THR  54           HG1      THR  54  -2.767  -3.781  -3.781
  387   1HG2  THR  54          2HG2      THR  54  -2.046  -5.020  -5.020
  388   2HG2  THR  54          1HG2      THR  54  -3.238  -5.850  -5.850
  389   3HG2  THR  54          3HG2      THR  54  -3.564  -5.636  -5.636
  390    H    ILE  55           H        ILE  55  -0.827  -1.656  -1.656
  391    HA   ILE  55           HA       ILE  55   1.388  -1.806  -1.806
  392    HB   ILE  55           HB       ILE  55   0.249  -0.427  -0.427
  393   1HG1  ILE  55          2HG1      ILE  55  -0.181   0.244   0.244
  394   2HG1  ILE  55          1HG1      ILE  55  -0.299   1.358   1.358
  395   1HG2  ILE  55          1HG2      ILE  55   2.992  -0.213  -0.213
  396   2HG2  ILE  55          3HG2      ILE  55   2.394   0.839   0.839
  397   3HG2  ILE  55          2HG2      ILE  55   2.621  -0.898  -0.898
  398   1HD1  ILE  55          1HD1      ILE  55   2.204   0.860   0.860
  399   2HD1  ILE  55          3HD1      ILE  55   1.136   2.286   2.286
  400   3HD1  ILE  55          2HD1      ILE  55   2.091   1.990   1.990
  401    H    GLU  56           H        GLU  56   1.605  -4.117  -4.117
  402    HA   GLU  56           HA       GLU  56   1.202  -5.297  -5.297
  403   1HB   GLU  56          2HB       GLU  56   1.633  -6.248  -6.248
  404   2HB   GLU  56          1HB       GLU  56   2.729  -7.069  -7.069
  405   1HG   GLU  56          2HG       GLU  56   0.716  -7.535  -7.535
  406   2HG   GLU  56          1HG       GLU  56  -0.307  -6.867  -6.867
  407    H    SER  57           H        SER  57   3.011  -6.520  -6.520
  408    HA   SER  57           HA       SER  57   5.555  -5.003  -5.003
  409   1HB   SER  57          2HB       SER  57   4.140  -4.605  -4.605
  410   2HB   SER  57          1HB       SER  57   4.603  -6.256  -6.256
  411    HG   SER  57           HG       SER  57   6.824  -5.537  -5.537
  412    H    GLY  58           H        GLY  58   7.477  -6.175  -6.175
  413   1HA   GLY  58          1HA       GLY  58   7.504  -9.021  -9.021
  414   2HA   GLY  58          2HA       GLY  58   7.621  -8.695  -8.695
  415    H    ALA  59           H        ALA  59   9.033  -6.157  -6.157
  416    HA   ALA  59           HA       ALA  59  11.724  -7.159  -7.159
  417   1HB   ALA  59          3HB       ALA  59  11.444  -6.543  -6.543
  418   2HB   ALA  59          2HB       ALA  59  10.918  -4.920  -4.920
  419   3HB   ALA  59          1HB       ALA  59  12.578  -5.446  -5.446
  420    H    LYS  60           H        LYS  60  10.433  -3.866  -3.866
  421    HA   LYS  60           HA       LYS  60  11.479  -3.069  -3.069
  422   1HB   LYS  60          2HB       LYS  60  10.675  -1.120  -1.120
  423   2HB   LYS  60          1HB       LYS  60  11.865  -0.938  -0.938
  424   1HG   LYS  60          2HG       LYS  60  13.367  -1.380  -1.380
  425   2HG   LYS  60          1HG       LYS  60  12.917  -3.068  -3.068
  426   1HD   LYS  60          2HD       LYS  60  12.200  -3.214  -3.214
  427   2HD   LYS  60          1HD       LYS  60  10.945  -2.017  -2.017
  428   1HE   LYS  60          2HE       LYS  60  12.599  -0.199  -0.199
  429   2HE   LYS  60          1HE       LYS  60  13.783  -1.443  -1.443
  430   1HZ   LYS  60          1HZ       LYS  60  11.143  -1.026  -1.026
  431   2HZ   LYS  60          3HZ       LYS  60  12.621  -0.575  -0.575
  432   3HZ   LYS  60          2HZ       LYS  60  12.251  -2.182  -2.182
  433    H    GLY  61           H        GLY  61   8.961  -1.417  -1.417
  434   1HA   GLY  61          1HA       GLY  61   6.968  -2.038  -2.038
  435   2HA   GLY  61          2HA       GLY  61   7.218  -0.377  -0.377
  436    HA   PRO  62           HA       PRO  62   4.505  -1.220  -1.220
  437   1HB   PRO  62          2HB       PRO  62   5.682   0.328   0.328
  438   2HB   PRO  62          1HB       PRO  62   4.678   0.996   0.996
  439   1HG   PRO  62          2HG       PRO  62   7.589   1.134   1.134
  440   2HG   PRO  62          1HG       PRO  62   6.532   2.120   2.120
  441   1HD   PRO  62          2HD       PRO  62   8.293   0.018   0.018
  442   2HD   PRO  62          1HD       PRO  62   7.153   0.941   0.941
  443    H    ALA  63           H        ALA  63   4.085  -2.531  -2.531
  444    HA   ALA  63           HA       ALA  63   5.992  -3.503  -3.503
  445   1HB   ALA  63          3HB       ALA  63   7.063  -4.522  -4.522
  446   2HB   ALA  63          2HB       ALA  63   5.529  -5.332  -5.332
  447   3HB   ALA  63          1HB       ALA  63   6.412  -5.769  -5.769
  448    H    ALA  64           H        ALA  64   4.288  -3.503  -3.503
  449    HA   ALA  64           HA       ALA  64   2.174  -4.068  -4.068
  450   1HB   ALA  64          3HB       ALA  64   3.608  -6.104  -6.104
  451   2HB   ALA  64          2HB       ALA  64   3.095  -6.762  -6.762
  452   3HB   ALA  64          1HB       ALA  64   1.899  -6.541  -6.541
  453    H    GLY  65           H        GLY  65   0.757  -6.575  -6.575
  454   1HA   GLY  65          1HA       GLY  65  -0.302  -7.064  -7.064
  455   2HA   GLY  65          2HA       GLY  65  -0.474  -5.312  -5.312
  456    H    ASN  66           H        ASN  66  -1.498  -8.148  -8.148
  457    HA   ASN  66           HA       ASN  66  -3.380  -8.534  -8.534
  458   1HB   ASN  66          2HB       ASN  66  -4.374  -6.440  -6.440
  459   2HB   ASN  66          1HB       ASN  66  -5.436  -7.056  -7.056
  460   1HD2  ASN  66          1HD2      ASN  66  -5.122  -7.273  -7.273
  461   2HD2  ASN  66          2HD2      ASN  66  -5.343  -8.994  -8.994
  462    H    VAL  67           H        VAL  67  -1.775  -7.381  -7.381
  463    HA   VAL  67           HA       VAL  67  -2.696  -4.751  -4.751
  464    HB   VAL  67           HB       VAL  67  -0.963  -6.308  -6.308
  465   1HG1  VAL  67          1HG1      VAL  67  -0.719  -3.572  -3.572
  466   2HG1  VAL  67          3HG1      VAL  67   0.399  -4.223  -4.223
  467   3HG1  VAL  67          2HG1      VAL  67  -1.297  -3.901  -3.901
  468   1HG2  VAL  67          1HG2      VAL  67  -0.222  -7.249  -7.249
  469   2HG2  VAL  67          3HG2      VAL  67   1.020  -6.142  -6.142
  470   3HG2  VAL  67          2HG2      VAL  67  -0.037  -5.619  -5.619
  471    H    THR  68           H        THR  68  -4.705  -4.679  -4.679
  472    HA   THR  68           HA       THR  68  -5.254  -6.669  -6.669
  473    HB   THR  68           HB       THR  68  -6.763  -7.230  -7.230
  474    HG1  THR  68           HG1      THR  68  -8.719  -6.277  -6.277
  475   1HG2  THR  68          2HG2      THR  68  -6.949  -4.208  -4.208
  476   2HG2  THR  68          1HG2      THR  68  -8.425  -5.143  -5.143
  477   3HG2  THR  68          3HG2      THR  68  -6.990  -5.405  -5.405
  478    H    SER  69           H        SER  69  -6.296  -5.873  -5.873
  479    HA   SER  69           HA       SER  69  -5.775  -3.026  -3.026
  480   1HB   SER  69          2HB       SER  69  -6.416  -3.546  -3.546
  481   2HB   SER  69          1HB       SER  69  -5.089  -4.555  -4.555
  482    HG   SER  69           HG       SER  69  -7.734  -5.242  -5.242
  483    H    LEU  70           H        LEU  70  -7.333  -1.443  -1.443
  484    HA   LEU  70           HA       LEU  70  -9.965  -2.051  -2.051
  485   1HB   LEU  70          2HB       LEU  70  -8.453   0.368   0.368
  486   2HB   LEU  70          1HB       LEU  70 -10.225   0.463   0.463
  487    HG   LEU  70           HG       LEU  70  -8.868   1.178   1.178
  488   1HD1  LEU  70          1HD1      LEU  70 -11.334  -0.597  -0.597
  489   2HD1  LEU  70          3HD1      LEU  70 -10.742   0.500   0.500
  490   3HD1  LEU  70          2HD1      LEU  70 -11.303   1.157   1.157
  491   1HD2  LEU  70          1HD2      LEU  70  -7.522  -0.860  -0.860
  492   2HD2  LEU  70          3HD2      LEU  70  -8.565  -0.651  -0.651
  493   3HD2  LEU  70          2HD2      LEU  70  -8.988  -1.841  -1.841

  Start of MODEL    2
    1    H    SER   2           H        SER   2  -5.446   1.131   1.131
    2    HA   SER   2           HA       SER   2  -7.008   0.489   0.489
    3   1HB   SER   2          2HB       SER   2  -7.610   2.975   2.975
    4   2HB   SER   2          1HB       SER   2  -8.652   2.760   2.760
    5    HG   SER   2           HG       SER   2  -9.256   2.247   2.247
    6    H    GLY   3           H        GLY   3  -8.022  -1.311  -1.311
    7   1HA   GLY   3          1HA       GLY   3  -8.859  -2.823  -2.823
    8   2HA   GLY   3          2HA       GLY   3  -9.952  -1.499  -1.499
    9    H    LYS   4           H        LYS   4  -9.884  -0.914  -0.914
   10    HA   LYS   4           HA       LYS   4  -7.475  -1.677  -1.677
   11   1HB   LYS   4          2HB       LYS   4 -10.341  -1.531  -1.531
   12   2HB   LYS   4          1HB       LYS   4  -9.326  -0.822  -0.822
   13   1HG   LYS   4          2HG       LYS   4  -8.605  -2.864  -2.864
   14   2HG   LYS   4          1HG       LYS   4  -8.200  -3.328  -3.328
   15   1HD   LYS   4          2HD       LYS   4 -11.094  -3.240  -3.240
   16   2HD   LYS   4          1HD       LYS   4 -10.308  -4.323  -4.323
   17   1HE   LYS   4          2HE       LYS   4  -9.215  -5.536  -5.536
   18   2HE   LYS   4          1HE       LYS   4  -9.913  -4.405  -4.405
   19   1HZ   LYS   4          1HZ       LYS   4 -11.433  -6.197  -6.197
   20   2HZ   LYS   4          3HZ       LYS   4 -11.171  -6.430  -6.430
   21   3HZ   LYS   4          2HZ       LYS   4 -12.095  -5.153  -5.153
   22    H    MET   5           H        MET   5  -7.189  -0.003  -0.003
   23    HA   MET   5           HA       MET   5  -7.629   2.779   2.779
   24   1HB   MET   5          2HB       MET   5  -4.959   3.059   3.059
   25   2HB   MET   5          1HB       MET   5  -5.841   2.853   2.853
   26   1HG   MET   5          2HG       MET   5  -5.390   0.397   0.397
   27   2HG   MET   5          1HG       MET   5  -4.491   0.639   0.639
   28   1HE   MET   5          1HE       MET   5  -4.637   1.128   1.128
   29   2HE   MET   5          3HE       MET   5  -3.270   2.232   2.232
   30   3HE   MET   5          2HE       MET   5  -4.711   2.818   2.818
   31    H    THR   6           H        THR   6  -7.101   4.157   4.157
   32    HA   THR   6           HA       THR   6  -6.803   2.701   2.701
   33    HB   THR   6           HB       THR   6  -7.497   4.868   4.868
   34    HG1  THR   6           HG1      THR   6  -7.681   6.565   6.565
   35   1HG2  THR   6          2HG2      THR   6  -8.865   3.947   3.947
   36   2HG2  THR   6          1HG2      THR   6  -9.319   5.536   5.536
   37   3HG2  THR   6          3HG2      THR   6  -9.555   4.084   4.084
   38    H    GLY   7           H        GLY   7  -5.111   3.013   3.013
   39   1HA   GLY   7          1HA       GLY   7  -2.929   4.829   4.829
   40   2HA   GLY   7          2HA       GLY   7  -2.497   3.217   3.217
   41    H    ILE   8           H        ILE   8  -2.014   5.112   5.112
   42    HA   ILE   8           HA       ILE   8  -2.623   3.053   3.053
   43    HB   ILE   8           HB       ILE   8  -2.708   4.624   4.624
   44   1HG1  ILE   8          2HG1      ILE   8  -0.429   5.920   5.920
   45   2HG1  ILE   8          1HG1      ILE   8  -0.543   5.413   5.413
   46   1HG2  ILE   8          1HG2      ILE   8  -3.103   6.303   6.303
   47   2HG2  ILE   8          3HG2      ILE   8  -3.649   6.759   6.759
   48   3HG2  ILE   8          2HG2      ILE   8  -4.329   5.328   5.328
   49   1HD1  ILE   8          1HD1      ILE   8  -1.985   7.805   7.805
   50   2HD1  ILE   8          3HD1      ILE   8  -0.543   7.880   7.880
   51   3HD1  ILE   8          2HD1      ILE   8  -2.091   7.314   7.314
   52    H    VAL   9           H        VAL   9  -1.023   1.987   1.987
   53    HA   VAL   9           HA       VAL   9   1.570   1.882   1.882
   54    HB   VAL   9           HB       VAL   9   0.710  -0.147  -0.147
   55   1HG1  VAL   9          1HG1      VAL   9   0.217   0.989   0.989
   56   2HG1  VAL   9          3HG1      VAL   9  -0.050  -0.709  -0.709
   57   3HG1  VAL   9          2HG1      VAL   9  -1.015   0.590   0.590
   58   1HG2  VAL   9          1HG2      VAL   9   3.107   0.035   0.035
   59   2HG2  VAL   9          3HG2      VAL   9   2.304  -1.037  -1.037
   60   3HG2  VAL   9          2HG2      VAL   9   2.736   0.623   0.623
   61    H    LYS  10           H        LYS  10   3.645   2.209   2.209
   62    HA   LYS  10           HA       LYS  10   3.380   4.317   4.317
   63   1HB   LYS  10          2HB       LYS  10   4.893   4.187   4.187
   64   2HB   LYS  10          1HB       LYS  10   5.959   4.492   4.492
   65   1HG   LYS  10          2HG       LYS  10   3.366   6.020   6.020
   66   2HG   LYS  10          1HG       LYS  10   4.870   6.533   6.533
   67   1HD   LYS  10          2HD       LYS  10   5.850   7.173   7.173
   68   2HD   LYS  10          1HD       LYS  10   4.980   5.947   5.947
   69   1HE   LYS  10          2HE       LYS  10   3.268   8.044   8.044
   70   2HE   LYS  10          1HE       LYS  10   4.394   8.637   8.637
   71   1HZ   LYS  10          1HZ       LYS  10   2.475   6.414   6.414
   72   2HZ   LYS  10          3HZ       LYS  10   2.302   7.960   7.960
   73   3HZ   LYS  10          2HZ       LYS  10   3.513   6.972   6.972
   74    H    TRP  11           H        TRP  11   5.810   1.862   1.862
   75    HA   TRP  11           HA       TRP  11   5.965   0.874   0.874
   76   1HB   TRP  11          2HB       TRP  11   8.623   1.108   1.108
   77   2HB   TRP  11          1HB       TRP  11   7.991   1.598   1.598
   78    HD1  TRP  11           HD1      TRP  11   8.394   3.087   3.087
   79    HE1  TRP  11           HE1      TRP  11   8.402   5.517   5.517
   80    HE3  TRP  11           HE3      TRP  11   7.347   3.549   3.549
   81    HZ2  TRP  11           HZ2      TRP  11   7.985   7.624   7.624
   82    HZ3  TRP  11           HZ3      TRP  11   7.180   5.867   5.867
   83    HH2  TRP  11           HH2      TRP  11   7.478   7.823   7.823
   84    H    PHE  12           H        PHE  12   7.356  -1.198  -1.198
   85    HA   PHE  12           HA       PHE  12   7.687  -2.630  -2.630
   86   1HB   PHE  12          2HB       PHE  12   5.714  -3.633  -3.633
   87   2HB   PHE  12          1HB       PHE  12   5.179  -2.725  -2.725
   88    HD1  PHE  12           HD1      PHE  12   6.391  -3.700  -3.700
   89    HD2  PHE  12           HD2      PHE  12   5.364  -5.945  -5.945
   90    HE1  PHE  12           HE1      PHE  12   6.270  -5.785  -5.785
   91    HE2  PHE  12           HE2      PHE  12   5.245  -8.025  -8.025
   92    HZ   PHE  12           HZ       PHE  12   5.698  -7.950  -7.950
   93    H    ASN  13           H        ASN  13   8.784  -4.676  -4.676
   94    HA   ASN  13           HA       ASN  13   9.865  -5.060  -5.060
   95   1HB   ASN  13          2HB       ASN  13  12.022  -5.774  -5.774
   96   2HB   ASN  13          1HB       ASN  13  11.691  -4.031  -4.031
   97   1HD2  ASN  13          1HD2      ASN  13  11.350  -2.932  -2.932
   98   2HD2  ASN  13          2HD2      ASN  13  11.420  -3.629  -3.629
   99    H    ALA  14           H        ALA  14   9.787  -7.148  -7.148
  100    HA   ALA  14           HA       ALA  14   8.914  -9.223  -9.223
  101   1HB   ALA  14          3HB       ALA  14   7.469  -8.815  -8.815
  102   2HB   ALA  14          2HB       ALA  14   8.863  -9.170  -9.170
  103   3HB   ALA  14          1HB       ALA  14   8.186 -10.450 -10.450
  104    H    ASP  15           H        ASP  15  11.691  -8.004  -8.004
  105    HA   ASP  15           HA       ASP  15  12.910 -10.536 -10.536
  106   1HB   ASP  15          2HB       ASP  15  15.019  -8.989  -8.989
  107   2HB   ASP  15          1HB       ASP  15  13.888  -8.797  -8.797
  108    H    LYS  16           H        LYS  16  13.441  -8.125  -8.125
  109    HA   LYS  16           HA       LYS  16  15.090 -10.057 -10.057
  110   1HB   LYS  16          2HB       LYS  16  15.400  -8.291  -8.291
  111   2HB   LYS  16          1HB       LYS  16  15.675  -7.689  -7.689
  112   1HG   LYS  16          2HG       LYS  16  13.542  -6.579  -6.579
  113   2HG   LYS  16          1HG       LYS  16  13.003  -7.424  -7.424
  114   1HD   LYS  16          2HD       LYS  16  13.601  -5.365  -5.365
  115   2HD   LYS  16          1HD       LYS  16  15.137  -6.236  -6.236
  116   1HE   LYS  16          2HE       LYS  16  14.517  -4.650  -4.650
  117   2HE   LYS  16          1HE       LYS  16  15.120  -3.826  -3.826
  118   1HZ   LYS  16          1HZ       LYS  16  16.437  -6.082  -6.082
  119   2HZ   LYS  16          3HZ       LYS  16  16.889  -4.476  -4.476
  120   3HZ   LYS  16          2HZ       LYS  16  17.018  -5.305  -5.305
  121    H    GLY  17           H        GLY  17  11.764  -8.784  -8.784
  122   1HA   GLY  17          1HA       GLY  17   9.964 -10.130 -10.130
  123   2HA   GLY  17          2HA       GLY  17  11.089 -10.927 -10.927
  124    H    PHE  18           H        PHE  18  10.088  -7.526  -7.526
  125    HA   PHE  18           HA       PHE  18   9.182  -7.038  -7.038
  126   1HB   PHE  18          2HB       PHE  18  11.717  -5.813  -5.813
  127   2HB   PHE  18          1HB       PHE  18  10.770  -5.055  -5.055
  128    HD1  PHE  18           HD2      PHE  18  12.950  -7.944  -7.944
  129    HD2  PHE  18           HD1      PHE  18  10.704  -5.938  -5.938
  130    HE1  PHE  18           HE2      PHE  18  14.122  -9.294  -9.294
  131    HE2  PHE  18           HE1      PHE  18  11.879  -7.290  -7.290
  132    HZ   PHE  18           HZ       PHE  18  13.588  -8.970  -8.970
  133    H    GLY  19           H        GLY  19   7.980  -5.066  -5.066
  134   1HA   GLY  19          1HA       GLY  19   7.478  -3.695  -3.695
  135   2HA   GLY  19          2HA       GLY  19   6.144  -4.235  -4.235
  136    H    PHE  20           H        PHE  20   6.221  -1.564  -1.564
  137    HA   PHE  20           HA       PHE  20   6.951  -0.324  -0.324
  138   1HB   PHE  20          2HB       PHE  20   8.871   0.115   0.115
  139   2HB   PHE  20          1HB       PHE  20   7.838   0.640   0.640
  140    HD1  PHE  20           HD2      PHE  20   6.364   2.737   2.737
  141    HD2  PHE  20           HD1      PHE  20   9.615   1.705   1.705
  142    HE1  PHE  20           HE2      PHE  20   6.454   5.086   5.086
  143    HE2  PHE  20           HE1      PHE  20   9.699   4.055   4.055
  144    HZ   PHE  20           HZ       PHE  20   8.120   5.747   5.747
  145    H    ILE  21           H        ILE  21   5.020   0.397   0.397
  146    HA   ILE  21           HA       ILE  21   3.148   1.490   1.490
  147    HB   ILE  21           HB       ILE  21   2.826  -0.013  -0.013
  148   1HG1  ILE  21          2HG1      ILE  21   0.907   0.002   0.002
  149   2HG1  ILE  21          1HG1      ILE  21   2.506  -0.747  -0.747
  150   1HG2  ILE  21          1HG2      ILE  21   0.771   2.039   2.039
  151   2HG2  ILE  21          3HG2      ILE  21   0.478   0.766   0.766
  152   3HG2  ILE  21          2HG2      ILE  21   1.670   2.043   2.043
  153   1HD1  ILE  21          1HD1      ILE  21   0.439  -1.441  -1.441
  154   2HD1  ILE  21          3HD1      ILE  21   0.806  -2.408  -2.408
  155   3HD1  ILE  21          2HD1      ILE  21   2.028  -2.207  -2.207
  156    H    THR  22           H        THR  22   1.680   3.320   3.320
  157    HA   THR  22           HA       THR  22   3.225   5.031   5.031
  158    HB   THR  22           HB       THR  22   2.804   5.560   5.560
  159    HG1  THR  22           HG1      THR  22   4.806   5.257   5.257
  160   1HG2  THR  22          2HG2      THR  22   2.153   7.492   7.492
  161   2HG2  THR  22          1HG2      THR  22   3.186   8.082   8.082
  162   3HG2  THR  22          3HG2      THR  22   1.547   7.502   7.502
  163    HA   PRO  23           HA       PRO  23  -1.062   5.143   5.143
  164   1HB   PRO  23          2HB       PRO  23  -0.430   5.996   5.996
  165   2HB   PRO  23          1HB       PRO  23  -0.502   4.296   4.296
  166   1HG   PRO  23          2HG       PRO  23   1.827   5.993   5.993
  167   2HG   PRO  23          1HG       PRO  23   1.700   4.225   4.225
  168   1HD   PRO  23          2HD       PRO  23   2.840   5.990   5.990
  169   2HD   PRO  23          1HD       PRO  23   2.610   4.235   4.235
  170    H    ASP  24           H        ASP  24  -2.548   6.821   6.821
  171    HA   ASP  24           HA       ASP  24  -1.563   9.504   9.504
  172   1HB   ASP  24          2HB       ASP  24  -4.029  10.020  10.020
  173   2HB   ASP  24          1HB       ASP  24  -3.439   8.853   8.853
  174    H    ASP  25           H        ASP  25  -3.749   7.881   7.881
  175    HA   ASP  25           HA       ASP  25  -3.297  10.202  10.202
  176   1HB   ASP  25          2HB       ASP  25  -5.640   9.598   9.598
  177   2HB   ASP  25          1HB       ASP  25  -5.322   7.941   7.941
  178    H    GLY  26           H        GLY  26  -2.275   7.010   7.010
  179   1HA   GLY  26          1HA       GLY  26  -1.961   5.988   5.988
  180   2HA   GLY  26          2HA       GLY  26  -1.107   5.435   5.435
  181    H    SER  27           H        SER  27   1.064   5.505   5.505
  182    HA   SER  27           HA       SER  27   2.092   7.946   7.946
  183   1HB   SER  27          2HB       SER  27   4.063   6.492   6.492
  184   2HB   SER  27          1HB       SER  27   2.531   6.092   6.092
  185    HG   SER  27           HG       SER  27   2.885   4.146   4.146
  186    H    LYS  28           H        LYS  28   4.436   5.727   5.727
  187    HA   LYS  28           HA       LYS  28   4.829   7.537   7.537
  188   1HB   LYS  28          2HB       LYS  28   7.243   6.442   6.442
  189   2HB   LYS  28          1HB       LYS  28   6.758   7.856   7.856
  190   1HG   LYS  28          2HG       LYS  28   6.132   5.167   5.167
  191   2HG   LYS  28          1HG       LYS  28   7.849   5.611   5.611
  192   1HD   LYS  28          2HD       LYS  28   7.485   7.566   7.566
  193   2HD   LYS  28          1HD       LYS  28   5.724   7.458   7.458
  194   1HE   LYS  28          2HE       LYS  28   6.015   5.116   5.116
  195   2HE   LYS  28          1HE       LYS  28   7.580   5.768   5.768
  196   1HZ   LYS  28          1HZ       LYS  28   4.941   7.012   7.012
  197   2HZ   LYS  28          3HZ       LYS  28   5.851   6.180   6.180
  198   3HZ   LYS  28          2HZ       LYS  28   6.400   7.622   7.622
  199    H    ASP  29           H        ASP  29   6.387   6.165   6.165
  200    HA   ASP  29           HA       ASP  29   4.619   4.338   4.338
  201   1HB   ASP  29          2HB       ASP  29   6.808   3.569   3.569
  202   2HB   ASP  29          1HB       ASP  29   6.222   5.224   5.224
  203    H    VAL  30           H        VAL  30   4.084   2.277   2.277
  204    HA   VAL  30           HA       VAL  30   5.899   0.814   0.814
  205    HB   VAL  30           HB       VAL  30   3.791  -0.697  -0.697
  206   1HG1  VAL  30          1HG1      VAL  30   3.935   2.031   2.031
  207   2HG1  VAL  30          3HG1      VAL  30   2.917   0.667   0.667
  208   3HG1  VAL  30          2HG1      VAL  30   4.687   0.527   0.527
  209   1HG2  VAL  30          1HG2      VAL  30   2.527   0.424   0.424
  210   2HG2  VAL  30          3HG2      VAL  30   1.677   0.599   0.599
  211   3HG2  VAL  30          2HG2      VAL  30   2.593   1.960   1.960
  212    H    PHE  31           H        PHE  31   7.031  -0.940  -0.940
  213    HA   PHE  31           HA       PHE  31   7.009  -1.649  -1.649
  214   1HB   PHE  31          2HB       PHE  31   8.338  -3.132  -3.132
  215   2HB   PHE  31          1HB       PHE  31   8.783  -3.111  -3.111
  216    HD1  PHE  31           HD1      PHE  31   8.514  -0.051  -0.051
  217    HD2  PHE  31           HD2      PHE  31  10.451  -2.404  -2.404
  218    HE1  PHE  31           HE1      PHE  31  10.126   1.796   1.796
  219    HE2  PHE  31           HE2      PHE  31  12.059  -0.551  -0.551
  220    HZ   PHE  31           HZ       PHE  31  11.899   1.551   1.551
  221    H    VAL  32           H        VAL  32   6.585  -3.807  -3.807
  222    HA   VAL  32           HA       VAL  32   4.548  -5.250  -5.250
  223    HB   VAL  32           HB       VAL  32   3.106  -5.148  -5.148
  224   1HG1  VAL  32          1HG1      VAL  32   5.126  -3.295  -3.295
  225   2HG1  VAL  32          3HG1      VAL  32   3.396  -3.410  -3.410
  226   3HG1  VAL  32          2HG1      VAL  32   3.887  -2.830  -2.830
  227   1HG2  VAL  32          1HG2      VAL  32   4.216  -6.980  -6.980
  228   2HG2  VAL  32          3HG2      VAL  32   3.574  -5.783  -5.783
  229   3HG2  VAL  32          2HG2      VAL  32   5.310  -5.830  -5.830
  230    H    HIS  33           H        HIS  33   4.393  -7.621  -7.621
  231    HA   HIS  33           HA       HIS  33   6.878  -8.701  -8.701
  232   1HB   HIS  33          2HB       HIS  33   6.396  -8.552  -8.552
  233   2HB   HIS  33          1HB       HIS  33   6.165 -10.250 -10.250
  234    HD1  HIS  33           HD1      HIS  33   8.502 -10.261 -10.261
  235    HD2  HIS  33           HD2      HIS  33   9.006  -8.893  -8.893
  236    HE1  HIS  33           HE1      HIS  33  10.827 -10.364 -10.364
  237    H    PHE  34           H        PHE  34   4.399  -8.541  -8.541
  238    HA   PHE  34           HA       PHE  34   2.697  -9.842  -9.842
  239   1HB   PHE  34          2HB       PHE  34   4.569 -12.174 -12.174
  240   2HB   PHE  34          1HB       PHE  34   3.460 -11.816 -11.816
  241    HD1  PHE  34           HD2      PHE  34   4.436  -8.730  -8.730
  242    HD2  PHE  34           HD1      PHE  34   6.397 -12.569 -12.569
  243    HE1  PHE  34           HE2      PHE  34   6.273  -7.685  -7.685
  244    HE2  PHE  34           HE1      PHE  34   8.227 -11.516 -11.516
  245    HZ   PHE  34           HZ       PHE  34   8.169  -9.074  -9.074
  246    H    SER  35           H        SER  35   1.935 -12.500 -12.500
  247    HA   SER  35           HA       SER  35   0.811 -13.937 -13.937
  248   1HB   SER  35          2HB       SER  35   2.950 -13.594 -13.594
  249   2HB   SER  35          1HB       SER  35   1.861 -12.626 -12.626
  250    HG   SER  35           HG       SER  35   0.640 -14.434 -14.434
  251    H    ALA  36           H        ALA  36   0.818 -10.472 -10.472
  252    HA   ALA  36           HA       ALA  36  -2.113 -10.617 -10.617
  253   1HB   ALA  36          3HB       ALA  36  -0.817 -10.255 -10.255
  254   2HB   ALA  36          2HB       ALA  36  -0.014  -8.858  -8.858
  255   3HB   ALA  36          1HB       ALA  36  -1.764  -8.812  -8.812
  256    H    ILE  37           H        ILE  37  -1.253 -10.184 -10.184
  257    HA   ILE  37           HA       ILE  37  -1.668  -7.269  -7.269
  258    HB   ILE  37           HB       ILE  37   0.636  -7.588  -7.588
  259   1HG1  ILE  37          2HG1      ILE  37  -0.454  -7.299  -7.299
  260   2HG1  ILE  37          1HG1      ILE  37  -0.710  -6.067  -6.067
  261   1HG2  ILE  37          1HG2      ILE  37  -0.035  -9.680  -9.680
  262   2HG2  ILE  37          3HG2      ILE  37   1.599  -9.036  -9.036
  263   3HG2  ILE  37          2HG2      ILE  37   0.736  -9.962  -9.962
  264   1HD1  ILE  37          1HD1      ILE  37   2.005  -7.095  -7.095
  265   2HD1  ILE  37          3HD1      ILE  37   1.258  -5.532  -5.532
  266   3HD1  ILE  37          2HD1      ILE  37   1.759  -5.849  -5.849
  267    H    GLN  38           H        GLN  38  -3.886  -8.553  -8.553
  268    HA   GLN  38           HA       GLN  38  -4.760 -10.170 -10.170
  269   1HB   GLN  38          2HB       GLN  38  -6.315  -7.630  -7.630
  270   2HB   GLN  38          1HB       GLN  38  -6.927  -9.272  -9.272
  271   1HG   GLN  38          2HG       GLN  38  -5.675  -8.082  -8.082
  272   2HG   GLN  38          1HG       GLN  38  -7.188  -8.995  -8.995
  273   1HE2  GLN  38          1HE2      GLN  38  -3.963  -9.050  -9.050
  274   2HE2  GLN  38          2HE2      GLN  38  -3.686 -10.794 -10.794
  275    H    ASN  39           H        ASN  39  -3.871 -10.203 -10.203
  276    HA   ASN  39           HA       ASN  39  -3.998  -7.656  -7.656
  277   1HB   ASN  39          2HB       ASN  39  -2.317  -8.706  -8.706
  278   2HB   ASN  39          1HB       ASN  39  -1.725  -8.656  -8.656
  279   1HD2  ASN  39          1HD2      ASN  39  -1.883 -10.469 -10.469
  280   2HD2  ASN  39          2HD2      ASN  39  -1.824 -12.104 -12.104
  281    H    ASP  40           H        ASP  40  -3.514  -9.329  -9.329
  282    HA   ASP  40           HA       ASP  40  -6.333 -10.270 -10.270
  283   1HB   ASP  40          2HB       ASP  40  -5.657 -10.029 -10.029
  284   2HB   ASP  40          1HB       ASP  40  -6.069  -8.575  -8.575
  285    H    GLY  41           H        GLY  41  -3.042 -10.817 -10.817
  286   1HA   GLY  41          1HA       GLY  41  -3.143 -13.666 -13.666
  287   2HA   GLY  41          2HA       GLY  41  -3.429 -13.308 -13.308
  288    H    TYR  42           H        TYR  42  -1.771 -11.732 -11.732
  289    HA   TYR  42           HA       TYR  42   0.840 -12.825 -12.825
  290   1HB   TYR  42          1HB       TYR  42  -0.274 -11.714 -11.714
  291   2HB   TYR  42          2HB       TYR  42   0.490 -10.266 -10.266
  292    HD1  TYR  42           HD1      TYR  42   1.813 -13.800 -13.800
  293    HD2  TYR  42           HD2      TYR  42   2.251  -9.802  -9.802
  294    HE1  TYR  42           HE1      TYR  42   3.987 -14.438 -14.438
  295    HE2  TYR  42           HE2      TYR  42   4.427 -10.443 -10.443
  296    HH   TYR  42           HH       TYR  42   5.475 -13.460 -13.460
  297    H    LYS  43           H        LYS  43   2.223 -12.296 -12.296
  298    HA   LYS  43           HA       LYS  43   1.700 -10.355 -10.355
  299   1HB   LYS  43          2HB       LYS  43   4.502 -11.209 -11.209
  300   2HB   LYS  43          1HB       LYS  43   3.864 -10.756 -10.756
  301   1HG   LYS  43          2HG       LYS  43   3.239 -13.247 -13.247
  302   2HG   LYS  43          1HG       LYS  43   4.043 -13.164 -13.164
  303   1HD   LYS  43          2HD       LYS  43   1.983 -12.437 -12.437
  304   2HD   LYS  43          1HD       LYS  43   1.179 -12.254 -12.254
  305   1HE   LYS  43          2HE       LYS  43   0.458 -14.344 -14.344
  306   2HE   LYS  43          1HE       LYS  43   1.438 -14.719 -14.719
  307   1HZ   LYS  43          1HZ       LYS  43   2.398 -14.684 -14.684
  308   2HZ   LYS  43          3HZ       LYS  43   2.057 -16.045 -16.045
  309   3HZ   LYS  43          2HZ       LYS  43   3.319 -15.051 -15.051
  310    H    SER  44           H        SER  44   1.138  -8.301  -8.301
  311    HA   SER  44           HA       SER  44   3.264  -6.531  -6.531
  312   1HB   SER  44          2HB       SER  44   1.201  -6.469  -6.469
  313   2HB   SER  44          1HB       SER  44   2.930  -6.074  -6.074
  314    HG   SER  44           HG       SER  44   1.954  -8.165  -8.165
  315    H    LEU  45           H        LEU  45   2.703  -4.965  -4.965
  316    HA   LEU  45           HA       LEU  45   0.024  -3.801  -3.801
  317   1HB   LEU  45          2HB       LEU  45   0.028  -5.571  -5.571
  318   2HB   LEU  45          1HB       LEU  45   1.079  -4.483  -4.483
  319    HG   LEU  45           HG       LEU  45  -0.790  -2.755  -2.755
  320   1HD1  LEU  45          1HD1      LEU  45  -2.362  -5.317  -5.317
  321   2HD1  LEU  45          3HD1      LEU  45  -3.082  -3.715  -3.715
  322   3HD1  LEU  45          2HD1      LEU  45  -2.117  -3.986  -3.986
  323   1HD2  LEU  45          1HD2      LEU  45  -0.232  -3.650  -3.650
  324   2HD2  LEU  45          3HD2      LEU  45  -2.004  -3.511  -3.511
  325   3HD2  LEU  45          2HD2      LEU  45  -1.216  -5.095  -5.095
  326    H    ASP  46           H        ASP  46   0.800  -2.382  -2.382
  327    HA   ASP  46           HA       ASP  46   1.574  -0.238  -0.238
  328   1HB   ASP  46          2HB       ASP  46   3.962  -0.035  -0.035
  329   2HB   ASP  46          1HB       ASP  46   3.549  -1.688  -1.688
  330    H    GLU  47           H        GLU  47   3.777   1.135   1.135
  331    HA   GLU  47           HA       GLU  47   4.140   2.479   2.479
  332   1HB   GLU  47          2HB       GLU  47   3.935   0.386   0.386
  333   2HB   GLU  47          1HB       GLU  47   2.210   0.742   0.742
  334   1HG   GLU  47          2HG       GLU  47   2.624   2.572   2.572
  335   2HG   GLU  47          1HG       GLU  47   4.216   2.887   2.887
  336    H    GLY  48           H        GLY  48   1.885   2.750   2.750
  337   1HA   GLY  48          1HA       GLY  48   0.540   4.681   4.681
  338   2HA   GLY  48          2HA       GLY  48   0.441   4.902   4.902
  339    H    GLN  49           H        GLN  49  -0.878   3.268   3.268
  340    HA   GLN  49           HA       GLN  49  -3.341   2.759   2.759
  341   1HB   GLN  49          2HB       GLN  49  -1.736   0.400   0.400
  342   2HB   GLN  49          1HB       GLN  49  -3.426   0.326   0.326
  343   1HG   GLN  49          2HG       GLN  49  -2.643   1.204   1.204
  344   2HG   GLN  49          1HG       GLN  49  -0.975   1.035   1.035
  345   1HE2  GLN  49          1HE2      GLN  49  -3.441  -1.132  -1.132
  346   2HE2  GLN  49          2HE2      GLN  49  -2.967  -2.565  -2.565
  347    H    LYS  50           H        LYS  50  -5.113   2.613   2.613
  348    HA   LYS  50           HA       LYS  50  -4.438   3.313   3.313
  349   1HB   LYS  50          2HB       LYS  50  -6.242   4.378   4.378
  350   2HB   LYS  50          1HB       LYS  50  -7.273   3.147   3.147
  351   1HG   LYS  50          2HG       LYS  50  -5.979   4.185   4.185
  352   2HG   LYS  50          1HG       LYS  50  -6.063   5.615   5.615
  353   1HD   LYS  50          2HD       LYS  50  -8.558   3.994   3.994
  354   2HD   LYS  50          1HD       LYS  50  -8.064   4.812   4.812
  355   1HE   LYS  50          2HE       LYS  50  -8.434   6.143   6.143
  356   2HE   LYS  50          1HE       LYS  50  -9.594   6.214   6.214
  357   1HZ   LYS  50          1HZ       LYS  50  -6.812   7.213   7.213
  358   2HZ   LYS  50          3HZ       LYS  50  -8.190   8.146   8.146
  359   3HZ   LYS  50          2HZ       LYS  50  -7.896   7.299   7.299
  360    H    VAL  51           H        VAL  51  -4.261   1.788   1.788
  361    HA   VAL  51           HA       VAL  51  -5.985  -0.617  -0.617
  362    HB   VAL  51           HB       VAL  51  -4.317  -2.064  -2.064
  363   1HG1  VAL  51          1HG1      VAL  51  -2.851   0.289   0.289
  364   2HG1  VAL  51          3HG1      VAL  51  -2.320  -1.415  -1.415
  365   3HG1  VAL  51          2HG1      VAL  51  -3.840  -0.923  -0.923
  366   1HG2  VAL  51          1HG2      VAL  51  -3.520  -1.193  -1.193
  367   2HG2  VAL  51          3HG2      VAL  51  -2.135  -1.580  -1.580
  368   3HG2  VAL  51          2HG2      VAL  51  -2.636   0.107   0.107
  369    H    SER  52           H        SER  52  -5.847  -1.883  -1.883
  370    HA   SER  52           HA       SER  52  -5.925   0.148   0.148
  371   1HB   SER  52          2HB       SER  52  -8.034  -0.440  -0.440
  372   2HB   SER  52          1HB       SER  52  -8.238  -0.607  -0.607
  373    HG   SER  52           HG       SER  52  -7.338  -2.932  -2.932
  374    H    PHE  53           H        PHE  53  -5.250  -0.592  -0.592
  375    HA   PHE  53           HA       PHE  53  -4.633  -3.474  -3.474
  376   1HB   PHE  53          2HB       PHE  53  -2.247  -2.806  -2.806
  377   2HB   PHE  53          1HB       PHE  53  -2.635  -2.993  -2.993
  378    HD1  PHE  53           HD1      PHE  53  -1.950  -0.463  -0.463
  379    HD2  PHE  53           HD2      PHE  53  -2.531  -1.156  -1.156
  380    HE1  PHE  53           HE1      PHE  53  -1.105   1.821   1.821
  381    HE2  PHE  53           HE2      PHE  53  -1.683   1.129   1.129
  382    HZ   PHE  53           HZ       PHE  53  -0.968   2.620   2.620
  383    H    THR  54           H        THR  54  -2.871  -3.046  -3.046
  384    HA   THR  54           HA       THR  54  -4.231  -1.192  -1.192
  385    HB   THR  54           HB       THR  54  -5.763  -3.079  -3.079
  386    HG1  THR  54           HG1      THR  54  -4.989  -2.103  -2.103
  387   1HG2  THR  54          2HG2      THR  54  -3.154  -4.626  -4.626
  388   2HG2  THR  54          1HG2      THR  54  -4.422  -5.206  -5.206
  389   3HG2  THR  54          3HG2      THR  54  -4.746  -5.110  -5.110
  390    H    ILE  55           H        ILE  55  -1.547  -1.564  -1.564
  391    HA   ILE  55           HA       ILE  55   0.642  -1.890  -1.890
  392    HB   ILE  55           HB       ILE  55  -0.456  -0.171  -0.171
  393   1HG1  ILE  55          2HG1      ILE  55   0.574   0.293   0.293
  394   2HG1  ILE  55          1HG1      ILE  55  -0.813   1.022   1.022
  395   1HG2  ILE  55          1HG2      ILE  55   2.463  -0.621  -0.621
  396   2HG2  ILE  55          3HG2      ILE  55   1.866   0.657   0.657
  397   3HG2  ILE  55          2HG2      ILE  55   1.673  -1.052  -1.052
  398   1HD1  ILE  55          1HD1      ILE  55   2.134   1.623   1.623
  399   2HD1  ILE  55          3HD1      ILE  55   1.005   2.669   2.669
  400   3HD1  ILE  55          2HD1      ILE  55   0.753   2.371   2.371
  401    H    GLU  56           H        GLU  56   0.716  -4.169  -4.169
  402    HA   GLU  56           HA       GLU  56   0.172  -5.185  -5.185
  403   1HB   GLU  56          2HB       GLU  56   0.526  -6.300  -6.300
  404   2HB   GLU  56          1HB       GLU  56   1.539  -7.163  -7.163
  405   1HG   GLU  56          2HG       GLU  56  -0.453  -7.491  -7.491
  406   2HG   GLU  56          1HG       GLU  56  -1.452  -6.620  -6.620
  407    H    SER  57           H        SER  57   2.041  -6.891  -6.891
  408    HA   SER  57           HA       SER  57   4.701  -5.714  -5.714
  409   1HB   SER  57          2HB       SER  57   3.952  -4.346  -4.346
  410   2HB   SER  57          1HB       SER  57   3.232  -5.738  -5.738
  411    HG   SER  57           HG       SER  57   5.750  -4.772  -4.772
  412    H    GLY  58           H        GLY  58   6.130  -7.357  -7.357
  413   1HA   GLY  58          1HA       GLY  58   6.649  -9.478  -9.478
  414   2HA   GLY  58          2HA       GLY  58   5.255 -10.082 -10.082
  415    H    ALA  59           H        ALA  59   8.173  -8.044  -8.044
  416    HA   ALA  59           HA       ALA  59   9.300 -10.067 -10.067
  417   1HB   ALA  59          3HB       ALA  59   7.477  -9.064  -9.064
  418   2HB   ALA  59          2HB       ALA  59   8.153  -7.451  -7.451
  419   3HB   ALA  59          1HB       ALA  59   9.103  -8.645  -8.645
  420    H    LYS  60           H        LYS  60  10.794  -8.288  -8.288
  421    HA   LYS  60           HA       LYS  60  12.942  -7.701  -7.701
  422   1HB   LYS  60          2HB       LYS  60  12.277  -7.408  -7.408
  423   2HB   LYS  60          1HB       LYS  60  12.829  -5.805  -5.805
  424   1HG   LYS  60          2HG       LYS  60  14.390  -8.261  -8.261
  425   2HG   LYS  60          1HG       LYS  60  14.559  -7.633  -7.633
  426   1HD   LYS  60          2HD       LYS  60  15.033  -6.091  -6.091
  427   2HD   LYS  60          1HD       LYS  60  16.288  -6.687  -6.687
  428   1HE   LYS  60          2HE       LYS  60  14.294  -4.441  -4.441
  429   2HE   LYS  60          1HE       LYS  60  16.053  -4.420  -4.420
  430   1HZ   LYS  60          1HZ       LYS  60  14.101  -5.870  -5.870
  431   2HZ   LYS  60          3HZ       LYS  60  14.871  -4.442  -4.442
  432   3HZ   LYS  60          2HZ       LYS  60  15.745  -5.844  -5.844
  433    H    GLY  61           H        GLY  61  10.078  -5.694  -5.694
  434   1HA   GLY  61          1HA       GLY  61  10.567  -4.069  -4.069
  435   2HA   GLY  61          2HA       GLY  61  10.773  -3.179  -3.179
  436    HA   PRO  62           HA       PRO  62   6.300  -3.050  -3.050
  437   1HB   PRO  62          2HB       PRO  62   6.041  -0.354  -0.354
  438   2HB   PRO  62          1HB       PRO  62   6.361  -0.872  -0.872
  439   1HG   PRO  62          2HG       PRO  62   8.161   0.368   0.368
  440   2HG   PRO  62          1HG       PRO  62   8.323   0.228   0.228
  441   1HD   PRO  62          2HD       PRO  62   9.695  -1.296  -1.296
  442   2HD   PRO  62          1HD       PRO  62   9.764  -1.492  -1.492
  443    H    ALA  63           H        ALA  63   5.275  -4.223  -4.223
  444    HA   ALA  63           HA       ALA  63   5.415  -3.282  -3.282
  445   1HB   ALA  63          3HB       ALA  63   6.277  -5.610  -5.610
  446   2HB   ALA  63          2HB       ALA  63   4.713  -6.022  -6.022
  447   3HB   ALA  63          1HB       ALA  63   4.797  -5.637  -5.637
  448    H    ALA  64           H        ALA  64   3.389  -3.736  -3.736
  449    HA   ALA  64           HA       ALA  64   1.059  -2.707  -2.707
  450   1HB   ALA  64          3HB       ALA  64   1.583  -2.144  -2.144
  451   2HB   ALA  64          2HB       ALA  64   1.368  -3.853  -3.853
  452   3HB   ALA  64          1HB       ALA  64  -0.018  -2.917  -2.917
  453    H    GLY  65           H        GLY  65  -0.759  -3.819  -3.819
  454   1HA   GLY  65          1HA       GLY  65  -0.638  -6.798  -6.798
  455   2HA   GLY  65          2HA       GLY  65  -1.386  -5.935  -5.935
  456    H    ASN  66           H        ASN  66  -2.415  -7.902  -7.902
  457    HA   ASN  66           HA       ASN  66  -4.274  -8.163  -8.163
  458   1HB   ASN  66          2HB       ASN  66  -5.165  -6.033  -6.033
  459   2HB   ASN  66          1HB       ASN  66  -6.254  -6.592  -6.592
  460   1HD2  ASN  66          1HD2      ASN  66  -6.103  -6.819  -6.819
  461   2HD2  ASN  66          2HD2      ASN  66  -6.358  -8.534  -8.534
  462    H    VAL  67           H        VAL  67  -2.344  -6.775  -6.775
  463    HA   VAL  67           HA       VAL  67  -3.410  -4.252  -4.252
  464    HB   VAL  67           HB       VAL  67  -1.303  -5.595  -5.595
  465   1HG1  VAL  67          1HG1      VAL  67  -1.519  -2.877  -2.877
  466   2HG1  VAL  67          3HG1      VAL  67  -0.183  -3.390  -3.390
  467   3HG1  VAL  67          2HG1      VAL  67  -1.828  -3.225  -3.225
  468   1HG2  VAL  67          1HG2      VAL  67  -0.776  -6.502  -6.502
  469   2HG2  VAL  67          3HG2      VAL  67   0.428  -5.267  -5.267
  470   3HG2  VAL  67          2HG2      VAL  67  -0.849  -4.877  -4.877
  471    H    THR  68           H        THR  68  -5.119  -4.183  -4.183
  472    HA   THR  68           HA       THR  68  -5.278  -6.310  -6.310
  473    HB   THR  68           HB       THR  68  -7.200  -6.895  -6.895
  474    HG1  THR  68           HG1      THR  68  -8.877  -5.736  -5.736
  475   1HG2  THR  68          2HG2      THR  68  -6.943  -4.052  -4.052
  476   2HG2  THR  68          1HG2      THR  68  -8.567  -4.767  -4.767
  477   3HG2  THR  68          3HG2      THR  68  -7.290  -5.536  -5.536
  478    H    SER  69           H        SER  69  -5.081  -5.539  -5.539
  479    HA   SER  69           HA       SER  69  -4.744  -2.790  -2.790
  480   1HB   SER  69          2HB       SER  69  -4.749  -3.383  -3.383
  481   2HB   SER  69          1HB       SER  69  -3.936  -4.680  -4.680
  482    HG   SER  69           HG       SER  69  -5.327  -5.897  -5.897
  483    H    LEU  70           H        LEU  70  -6.094  -1.209  -1.209
  484    HA   LEU  70           HA       LEU  70  -8.941  -1.940  -1.940
  485   1HB   LEU  70          2HB       LEU  70  -7.826  -0.479  -0.479
  486   2HB   LEU  70          1HB       LEU  70  -8.765   0.656   0.656
  487    HG   LEU  70           HG       LEU  70  -9.775  -1.954  -1.954
  488   1HD1  LEU  70          1HD1      LEU  70 -10.200   0.863   0.863
  489   2HD1  LEU  70          3HD1      LEU  70 -11.056  -0.594  -0.594
  490   3HD1  LEU  70          2HD1      LEU  70  -9.299  -0.451  -0.451
  491   1HD2  LEU  70          1HD2      LEU  70 -10.994  -1.248  -1.248
  492   2HD2  LEU  70          3HD2      LEU  70 -12.035  -1.063  -1.063
  493   3HD2  LEU  70          2HD2      LEU  70 -11.273   0.359   0.359

  Start of MODEL    3
    1    H    SER   2           H        SER   2 -13.752   0.540   0.540
    2    HA   SER   2           HA       SER   2 -12.767   2.013   2.013
    3   1HB   SER   2          2HB       SER   2 -14.794   0.700   0.700
    4   2HB   SER   2          1HB       SER   2 -13.888  -0.809  -0.809
    5    HG   SER   2           HG       SER   2 -14.045  -0.679  -0.679
    6    H    GLY   3           H        GLY   3 -12.142  -1.516  -1.516
    7   1HA   GLY   3          1HA       GLY   3  -9.615  -1.147  -1.147
    8   2HA   GLY   3          2HA       GLY   3 -10.273  -2.671  -2.671
    9    H    LYS   4           H        LYS   4 -10.624  -1.855  -1.855
   10    HA   LYS   4           HA       LYS   4  -7.829  -2.035  -2.035
   11   1HB   LYS   4          2HB       LYS   4 -10.476  -2.536  -2.536
   12   2HB   LYS   4          1HB       LYS   4  -9.105  -2.145  -2.145
   13   1HG   LYS   4          2HG       LYS   4  -8.718  -4.398  -4.398
   14   2HG   LYS   4          1HG       LYS   4  -7.937  -3.961  -3.961
   15   1HD   LYS   4          2HD       LYS   4 -10.904  -4.563  -4.563
   16   2HD   LYS   4          1HD       LYS   4  -9.724  -5.887  -5.887
   17   1HE   LYS   4          2HE       LYS   4  -9.615  -5.600  -5.600
   18   2HE   LYS   4          1HE       LYS   4  -8.943  -3.979  -3.979
   19   1HZ   LYS   4          1HZ       LYS   4 -11.816  -4.663  -4.663
   20   2HZ   LYS   4          3HZ       LYS   4 -10.925  -3.923  -3.923
   21   3HZ   LYS   4          2HZ       LYS   4 -11.196  -3.141  -3.141
   22    H    MET   5           H        MET   5  -7.007  -0.652  -0.652
   23    HA   MET   5           HA       MET   5  -8.291   2.016   2.016
   24   1HB   MET   5          2HB       MET   5  -5.785   2.871   2.871
   25   2HB   MET   5          1HB       MET   5  -6.791   2.615   2.615
   26   1HG   MET   5          2HG       MET   5  -5.115   0.342   0.342
   27   2HG   MET   5          1HG       MET   5  -4.339   1.611   1.611
   28   1HE   MET   5          1HE       MET   5  -5.052   2.226   2.226
   29   2HE   MET   5          3HE       MET   5  -5.142   0.773   0.773
   30   3HE   MET   5          2HE       MET   5  -3.826   0.951   0.951
   31    H    THR   6           H        THR   6  -7.614   3.252   3.252
   32    HA   THR   6           HA       THR   6  -6.848   1.521   1.521
   33    HB   THR   6           HB       THR   6  -7.499   3.487   3.487
   34    HG1  THR   6           HG1      THR   6  -7.905   5.411   5.411
   35   1HG2  THR   6          2HG2      THR   6  -9.161   2.819   2.819
   36   2HG2  THR   6          1HG2      THR   6  -9.596   4.275   4.275
   37   3HG2  THR   6          3HG2      THR   6  -9.622   2.693   2.693
   38    H    GLY   7           H        GLY   7  -5.204   2.526   2.526
   39   1HA   GLY   7          1HA       GLY   7  -3.115   4.236   4.236
   40   2HA   GLY   7          2HA       GLY   7  -2.639   2.606   2.606
   41    H    ILE   8           H        ILE   8  -2.031   4.704   4.704
   42    HA   ILE   8           HA       ILE   8  -2.317   2.737   2.737
   43    HB   ILE   8           HB       ILE   8  -2.525   4.371   4.371
   44   1HG1  ILE   8          2HG1      ILE   8  -0.486   5.822   5.822
   45   2HG1  ILE   8          1HG1      ILE   8  -0.493   5.455   5.455
   46   1HG2  ILE   8          1HG2      ILE   8  -3.265   5.843   5.843
   47   2HG2  ILE   8          3HG2      ILE   8  -3.775   6.318   6.318
   48   3HG2  ILE   8          2HG2      ILE   8  -4.311   4.772   4.772
   49   1HD1  ILE   8          1HD1      ILE   8  -2.243   7.542   7.542
   50   2HD1  ILE   8          3HD1      ILE   8  -0.793   7.878   7.878
   51   3HD1  ILE   8          2HD1      ILE   8  -2.245   7.196   7.196
   52    H    VAL   9           H        VAL   9  -0.504   2.052   2.052
   53    HA   VAL   9           HA       VAL   9   2.059   2.490   2.490
   54    HB   VAL   9           HB       VAL   9   1.474   0.245   0.245
   55   1HG1  VAL   9          1HG1      VAL   9   1.008   0.590   0.590
   56   2HG1  VAL   9          3HG1      VAL   9   0.959  -0.962  -0.962
   57   3HG1  VAL   9          2HG1      VAL   9  -0.232   0.304   0.304
   58   1HG2  VAL   9          1HG2      VAL   9   3.847   0.674   0.674
   59   2HG2  VAL   9          3HG2      VAL   9   3.290  -0.761  -0.761
   60   3HG2  VAL   9          2HG2      VAL   9   3.505   0.791   0.791
   61    H    LYS  10           H        LYS  10   3.982   3.074   3.074
   62    HA   LYS  10           HA       LYS  10   3.375   4.320   4.320
   63   1HB   LYS  10          2HB       LYS  10   5.461   5.203   5.203
   64   2HB   LYS  10          1HB       LYS  10   5.045   6.009   6.009
   65   1HG   LYS  10          2HG       LYS  10   2.587   5.925   5.925
   66   2HG   LYS  10          1HG       LYS  10   3.541   5.884   5.884
   67   1HD   LYS  10          2HD       LYS  10   3.164   8.073   8.073
   68   2HD   LYS  10          1HD       LYS  10   3.440   8.165   8.165
   69   1HE   LYS  10          2HE       LYS  10   5.862   7.275   7.275
   70   2HE   LYS  10          1HE       LYS  10   5.428   7.971   7.971
   71   1HZ   LYS  10          1HZ       LYS  10   5.393   9.392   9.392
   72   2HZ   LYS  10          3HZ       LYS  10   6.555   9.544   9.544
   73   3HZ   LYS  10          2HZ       LYS  10   5.001  10.057  10.057
   74    H    TRP  11           H        TRP  11   5.696   2.415   2.415
   75    HA   TRP  11           HA       TRP  11   6.842   1.448   1.448
   76   1HB   TRP  11          2HB       TRP  11   8.630   1.845   1.845
   77   2HB   TRP  11          1HB       TRP  11   9.028   1.735   1.735
   78    HD1  TRP  11           HD1      TRP  11   7.468   4.362   4.362
   79    HE1  TRP  11           HE1      TRP  11   7.812   6.636   6.636
   80    HE3  TRP  11           HE3      TRP  11   9.586   3.068   3.068
   81    HZ2  TRP  11           HZ2      TRP  11   8.943   7.907   7.907
   82    HZ3  TRP  11           HZ3      TRP  11  10.256   4.950   4.950
   83    HH2  TRP  11           HH2      TRP  11   9.964   7.258   7.258
   84    H    PHE  12           H        PHE  12   7.136  -0.762  -0.762
   85    HA   PHE  12           HA       PHE  12   7.017  -2.354  -2.354
   86   1HB   PHE  12          2HB       PHE  12   4.894  -2.930  -2.930
   87   2HB   PHE  12          1HB       PHE  12   4.752  -1.904  -1.904
   88    HD1  PHE  12           HD2      PHE  12   5.011  -2.793  -2.793
   89    HD2  PHE  12           HD1      PHE  12   5.236  -5.380  -5.380
   90    HE1  PHE  12           HE2      PHE  12   4.718  -4.782  -4.782
   91    HE2  PHE  12           HE1      PHE  12   4.942  -7.362  -7.362
   92    HZ   PHE  12           HZ       PHE  12   4.683  -7.067  -7.067
   93    H    ASN  13           H        ASN  13   8.163  -4.267  -4.267
   94    HA   ASN  13           HA       ASN  13   9.288  -4.896  -4.896
   95   1HB   ASN  13          2HB       ASN  13  11.311  -4.439  -4.439
   96   2HB   ASN  13          1HB       ASN  13  10.615  -4.368  -4.368
   97   1HD2  ASN  13          1HD2      ASN  13  12.132  -6.295  -6.295
   98   2HD2  ASN  13          2HD2      ASN  13  12.454  -7.740  -7.740
   99    H    ALA  14           H        ALA  14   8.764  -6.895  -6.895
  100    HA   ALA  14           HA       ALA  14   7.792  -8.892  -8.892
  101   1HB   ALA  14          3HB       ALA  14   6.206  -8.223  -8.223
  102   2HB   ALA  14          2HB       ALA  14   7.418  -8.722  -8.722
  103   3HB   ALA  14          1HB       ALA  14   6.689  -9.937  -9.937
  104    H    ASP  15           H        ASP  15  10.669  -8.155  -8.155
  105    HA   ASP  15           HA       ASP  15  11.436 -10.672 -10.672
  106   1HB   ASP  15          2HB       ASP  15  13.403  -8.654  -8.654
  107   2HB   ASP  15          1HB       ASP  15  13.462  -9.667  -9.667
  108    H    LYS  16           H        LYS  16  12.030  -8.803  -8.803
  109    HA   LYS  16           HA       LYS  16  13.249 -11.256 -11.256
  110   1HB   LYS  16          2HB       LYS  16  14.084  -9.682  -9.682
  111   2HB   LYS  16          1HB       LYS  16  14.765  -9.466  -9.466
  112   1HG   LYS  16          2HG       LYS  16  13.233  -7.587  -7.587
  113   2HG   LYS  16          1HG       LYS  16  12.449  -7.855  -7.855
  114   1HD   LYS  16          2HD       LYS  16  14.383  -7.141  -7.141
  115   2HD   LYS  16          1HD       LYS  16  15.425  -7.299  -7.299
  116   1HE   LYS  16          2HE       LYS  16  13.242  -5.462  -5.462
  117   2HE   LYS  16          1HE       LYS  16  14.073  -4.973  -4.973
  118   1HZ   LYS  16          1HZ       LYS  16  15.364  -5.523  -5.523
  119   2HZ   LYS  16          3HZ       LYS  16  15.075  -4.015  -4.015
  120   3HZ   LYS  16          2HZ       LYS  16  16.148  -5.050  -5.050
  121    H    GLY  17           H        GLY  17  10.626  -8.873  -8.873
  122   1HA   GLY  17          1HA       GLY  17   8.498  -9.716  -9.716
  123   2HA   GLY  17          2HA       GLY  17   9.411 -10.646 -10.646
  124    H    PHE  18           H        PHE  18   9.131  -7.229  -7.229
  125    HA   PHE  18           HA       PHE  18   8.455  -6.186  -6.186
  126   1HB   PHE  18          2HB       PHE  18  11.283  -5.939  -5.939
  127   2HB   PHE  18          1HB       PHE  18  10.576  -4.738  -4.738
  128    HD1  PHE  18           HD1      PHE  18   9.618  -5.522  -5.522
  129    HD2  PHE  18           HD2      PHE  18  12.271  -7.911  -7.911
  130    HE1  PHE  18           HE1      PHE  18  10.230  -6.880  -6.880
  131    HE2  PHE  18           HE2      PHE  18  12.878  -9.265  -9.265
  132    HZ   PHE  18           HZ       PHE  18  11.858  -8.752  -8.752
  133    H    GLY  19           H        GLY  19   7.933  -3.922  -3.922
  134   1HA   GLY  19          1HA       GLY  19   8.324  -2.401  -2.401
  135   2HA   GLY  19          2HA       GLY  19   6.670  -3.029  -3.029
  136    H    PHE  20           H        PHE  20   7.979  -0.220  -0.220
  137    HA   PHE  20           HA       PHE  20   7.343   0.515   0.515
  138   1HB   PHE  20          2HB       PHE  20   8.061   2.418   2.418
  139   2HB   PHE  20          1HB       PHE  20   8.350   2.550   2.550
  140    HD1  PHE  20           HD1      PHE  20   9.388   0.426   0.426
  141    HD2  PHE  20           HD2      PHE  20  10.459   2.074   2.074
  142    HE1  PHE  20           HE1      PHE  20  11.698  -0.444  -0.444
  143    HE2  PHE  20           HE2      PHE  20  12.771   1.200   1.200
  144    HZ   PHE  20           HZ       PHE  20  13.394  -0.059  -0.059
  145    H    ILE  21           H        ILE  21   5.307   1.021   1.021
  146    HA   ILE  21           HA       ILE  21   3.498   1.990   1.990
  147    HB   ILE  21           HB       ILE  21   2.942   0.512   0.512
  148   1HG1  ILE  21          2HG1      ILE  21   3.066  -0.203  -0.203
  149   2HG1  ILE  21          1HG1      ILE  21   3.498  -1.161  -1.161
  150   1HG2  ILE  21          1HG2      ILE  21   0.946   1.677   1.677
  151   2HG2  ILE  21          3HG2      ILE  21   0.542   0.544   0.544
  152   3HG2  ILE  21          2HG2      ILE  21   1.171   2.161   2.161
  153   1HD1  ILE  21          1HD1      ILE  21   0.654  -0.541  -0.541
  154   2HD1  ILE  21          3HD1      ILE  21   1.511  -2.094  -2.094
  155   3HD1  ILE  21          2HD1      ILE  21   1.076  -1.514  -1.514
  156    H    THR  22           H        THR  22   1.801   3.604   3.604
  157    HA   THR  22           HA       THR  22   2.798   5.280   5.280
  158    HB   THR  22           HB       THR  22   2.732   6.006   6.006
  159    HG1  THR  22           HG1      THR  22   4.525   6.907   6.907
  160   1HG2  THR  22          2HG2      THR  22   1.450   7.631   7.631
  161   2HG2  THR  22          1HG2      THR  22   2.569   8.470   8.470
  162   3HG2  THR  22          3HG2      THR  22   1.118   7.693   7.693
  163    HA   PRO  23           HA       PRO  23  -1.599   4.738   4.738
  164   1HB   PRO  23          2HB       PRO  23  -1.445   5.382   5.382
  165   2HB   PRO  23          1HB       PRO  23  -1.223   3.747   3.747
  166   1HG   PRO  23          2HG       PRO  23   0.762   5.637   5.637
  167   2HG   PRO  23          1HG       PRO  23   0.883   3.885   3.885
  168   1HD   PRO  23          2HD       PRO  23   2.033   5.965   5.965
  169   2HD   PRO  23          1HD       PRO  23   2.054   4.217   4.217
  170    H    ASP  24           H        ASP  24  -3.326   6.128   6.128
  171    HA   ASP  24           HA       ASP  24  -2.906   8.804   8.804
  172   1HB   ASP  24          2HB       ASP  24  -5.298   9.103   9.103
  173   2HB   ASP  24          1HB       ASP  24  -5.042   8.011   8.011
  174    H    ASP  25           H        ASP  25  -4.862   8.324   8.324
  175    HA   ASP  25           HA       ASP  25  -3.877  10.647  10.647
  176   1HB   ASP  25          2HB       ASP  25  -5.987   9.508   9.508
  177   2HB   ASP  25          1HB       ASP  25  -5.064   8.121   8.121
  178    H    GLY  26           H        GLY  26  -2.371   7.605   7.605
  179   1HA   GLY  26          1HA       GLY  26  -0.699   7.743   7.743
  180   2HA   GLY  26          2HA       GLY  26  -0.672   6.482   6.482
  181    H    SER  27           H        SER  27   0.320   9.821   9.821
  182    HA   SER  27           HA       SER  27   1.634  10.538  10.538
  183   1HB   SER  27          2HB       SER  27   3.293  11.649  11.649
  184   2HB   SER  27          1HB       SER  27   1.677  12.291  12.291
  185    HG   SER  27           HG       SER  27   2.252  11.939  11.939
  186    H    LYS  28           H        LYS  28   3.741  10.257  10.257
  187    HA   LYS  28           HA       LYS  28   5.879   9.402   9.402
  188   1HB   LYS  28          2HB       LYS  28   6.887   8.400   8.400
  189   2HB   LYS  28          1HB       LYS  28   5.482   9.068   9.068
  190   1HG   LYS  28          2HG       LYS  28   4.428   6.707   6.707
  191   2HG   LYS  28          1HG       LYS  28   6.137   6.237   6.237
  192   1HD   LYS  28          2HD       LYS  28   6.040   6.132   6.132
  193   2HD   LYS  28          1HD       LYS  28   5.428   7.795   7.795
  194   1HE   LYS  28          2HE       LYS  28   3.286   7.090   7.090
  195   2HE   LYS  28          1HE       LYS  28   3.411   5.848   5.848
  196   1HZ   LYS  28          1HZ       LYS  28   4.485   5.642   5.642
  197   2HZ   LYS  28          3HZ       LYS  28   3.103   4.900   4.900
  198   3HZ   LYS  28          2HZ       LYS  28   4.592   4.467   4.467
  199    H    ASP  29           H        ASP  29   6.693   6.726   6.726
  200    HA   ASP  29           HA       ASP  29   4.570   5.343   5.343
  201   1HB   ASP  29          2HB       ASP  29   6.247   4.629   4.629
  202   2HB   ASP  29          1HB       ASP  29   6.148   6.400   6.400
  203    H    VAL  30           H        VAL  30   4.133   3.487   3.487
  204    HA   VAL  30           HA       VAL  30   6.243   2.296   2.296
  205    HB   VAL  30           HB       VAL  30   4.144   0.665   0.665
  206   1HG1  VAL  30          1HG1      VAL  30   4.572   3.341   3.341
  207   2HG1  VAL  30          3HG1      VAL  30   3.576   1.997   1.997
  208   3HG1  VAL  30          2HG1      VAL  30   5.328   1.791   1.791
  209   1HG2  VAL  30          1HG2      VAL  30   2.708   1.892   1.892
  210   2HG2  VAL  30          3HG2      VAL  30   2.072   2.045   2.045
  211   3HG2  VAL  30          2HG2      VAL  30   2.949   3.394   3.394
  212    H    PHE  31           H        PHE  31   7.195   0.277   0.277
  213    HA   PHE  31           HA       PHE  31   7.280  -0.654  -0.654
  214   1HB   PHE  31          2HB       PHE  31   8.974  -0.716  -0.716
  215   2HB   PHE  31          1HB       PHE  31   8.353  -2.358  -2.358
  216    HD1  PHE  31           HD1      PHE  31   8.959  -0.204  -0.204
  217    HD2  PHE  31           HD2      PHE  31  10.222  -3.625  -3.625
  218    HE1  PHE  31           HE1      PHE  31  10.537  -0.853  -0.853
  219    HE2  PHE  31           HE2      PHE  31  11.800  -4.266  -4.266
  220    HZ   PHE  31           HZ       PHE  31  11.960  -2.882  -2.882
  221    H    VAL  32           H        VAL  32   6.690  -2.783  -2.783
  222    HA   VAL  32           HA       VAL  32   4.921  -4.354  -4.354
  223    HB   VAL  32           HB       VAL  32   3.002  -4.177  -4.177
  224   1HG1  VAL  32          1HG1      VAL  32   4.261  -1.409  -1.409
  225   2HG1  VAL  32          3HG1      VAL  32   2.512  -1.758  -1.758
  226   3HG1  VAL  32          2HG1      VAL  32   3.405  -2.057  -2.057
  227   1HG2  VAL  32          1HG2      VAL  32   3.894  -4.621  -4.621
  228   2HG2  VAL  32          3HG2      VAL  32   2.780  -3.228  -3.228
  229   3HG2  VAL  32          2HG2      VAL  32   4.536  -2.971  -2.971
  230    H    HIS  33           H        HIS  33   4.080  -6.347  -6.347
  231    HA   HIS  33           HA       HIS  33   6.093  -7.061  -7.061
  232   1HB   HIS  33          2HB       HIS  33   6.565  -9.223  -9.223
  233   2HB   HIS  33          1HB       HIS  33   7.151  -7.825  -7.825
  234    HD1  HIS  33           HD1      HIS  33   4.169 -10.385 -10.385
  235    HD2  HIS  33           HD2      HIS  33   6.239  -7.812  -7.812
  236    HE1  HIS  33           HE1      HIS  33   3.307 -10.822 -10.822
  237    H    PHE  34           H        PHE  34   5.441  -8.942  -8.942
  238    HA   PHE  34           HA       PHE  34   2.643  -8.911  -8.911
  239   1HB   PHE  34          2HB       PHE  34   3.205 -10.565 -10.565
  240   2HB   PHE  34          1HB       PHE  34   4.570  -9.465  -9.465
  241    HD1  PHE  34           HD2      PHE  34   6.484 -10.162 -10.162
  242    HD2  PHE  34           HD1      PHE  34   3.684 -12.884 -12.884
  243    HE1  PHE  34           HE2      PHE  34   8.036 -12.057 -12.057
  244    HE2  PHE  34           HE1      PHE  34   5.242 -14.772 -14.772
  245    HZ   PHE  34           HZ       PHE  34   7.418 -14.364 -14.364
  246    H    SER  35           H        SER  35   2.188 -11.739 -11.739
  247    HA   SER  35           HA       SER  35   1.399 -13.573 -13.573
  248   1HB   SER  35          2HB       SER  35   3.602 -13.209 -13.209
  249   2HB   SER  35          1HB       SER  35   2.470 -12.670 -12.670
  250    HG   SER  35           HG       SER  35   3.026 -14.986 -14.986
  251    H    ALA  36           H        ALA  36   1.268 -10.585 -10.585
  252    HA   ALA  36           HA       ALA  36  -1.324 -11.262 -11.262
  253   1HB   ALA  36          3HB       ALA  36   0.357  -9.706  -9.706
  254   2HB   ALA  36          2HB       ALA  36   0.145  -8.582  -8.582
  255   3HB   ALA  36          1HB       ALA  36  -1.216  -8.903  -8.903
  256    H    ILE  37           H        ILE  37  -0.503 -10.647 -10.647
  257    HA   ILE  37           HA       ILE  37  -2.408  -8.594  -8.594
  258    HB   ILE  37           HB       ILE  37  -2.011  -9.252  -9.252
  259   1HG1  ILE  37          2HG1      ILE  37   0.266 -11.015 -11.015
  260   2HG1  ILE  37          1HG1      ILE  37  -1.260 -11.713 -11.713
  261   1HG2  ILE  37          1HG2      ILE  37   0.474  -8.845  -8.845
  262   2HG2  ILE  37          3HG2      ILE  37   0.389  -8.587  -8.587
  263   3HG2  ILE  37          2HG2      ILE  37  -0.579  -7.582  -7.582
  264   1HD1  ILE  37          1HD1      ILE  37  -0.742 -10.626 -10.626
  265   2HD1  ILE  37          3HD1      ILE  37  -0.810 -12.348 -12.348
  266   3HD1  ILE  37          2HD1      ILE  37  -2.266 -11.338 -11.338
  267    H    GLN  38           H        GLN  38  -4.002  -9.901  -9.901
  268    HA   GLN  38           HA       GLN  38  -5.273 -12.197 -12.197
  269   1HB   GLN  38          2HB       GLN  38  -6.599 -10.256 -10.256
  270   2HB   GLN  38          1HB       GLN  38  -6.864 -12.003 -12.003
  271   1HG   GLN  38          2HG       GLN  38  -5.265 -12.388 -12.388
  272   2HG   GLN  38          1HG       GLN  38  -4.072 -11.547 -11.547
  273   1HE2  GLN  38          1HE2      GLN  38  -5.127  -9.001  -9.001
  274   2HE2  GLN  38          2HE2      GLN  38  -5.048  -8.273  -8.273
  275    H    ASN  39           H        ASN  39  -5.914 -11.916 -11.916
  276    HA   ASN  39           HA       ASN  39  -8.425 -10.779 -10.779
  277   1HB   ASN  39          2HB       ASN  39  -6.684  -8.687  -8.687
  278   2HB   ASN  39          1HB       ASN  39  -6.439  -9.053  -9.053
  279   1HD2  ASN  39          1HD2      ASN  39  -8.479  -9.402  -9.402
  280   2HD2  ASN  39          2HD2      ASN  39  -9.822  -8.293  -8.293
  281    H    ASP  40           H        ASP  40  -9.085 -12.012 -12.012
  282    HA   ASP  40           HA       ASP  40  -9.010 -13.299 -13.299
  283   1HB   ASP  40          2HB       ASP  40  -8.374 -11.157 -11.157
  284   2HB   ASP  40          1HB       ASP  40  -6.673 -11.483 -11.483
  285    H    GLY  41           H        GLY  41  -5.527 -12.656 -12.656
  286   1HA   GLY  41          1HA       GLY  41  -4.423 -14.706 -14.706
  287   2HA   GLY  41          2HA       GLY  41  -4.894 -15.470 -15.470
  288    H    TYR  42           H        TYR  42  -2.145 -15.042 -15.042
  289    HA   TYR  42           HA       TYR  42  -0.206 -13.823 -13.823
  290   1HB   TYR  42          1HB       TYR  42  -0.867 -15.765 -15.765
  291   2HB   TYR  42          2HB       TYR  42  -0.961 -14.402 -14.402
  292    HD1  TYR  42           HD1      TYR  42   1.470 -15.205 -15.205
  293    HD2  TYR  42           HD2      TYR  42   0.892 -14.348 -14.348
  294    HE1  TYR  42           HE1      TYR  42   3.925 -15.245 -15.245
  295    HE2  TYR  42           HE2      TYR  42   3.347 -14.388 -14.388
  296    HH   TYR  42           HH       TYR  42   5.512 -14.011 -14.011
  297    H    LYS  43           H        LYS  43  -2.019 -11.889 -11.889
  298    HA   LYS  43           HA       LYS  43  -2.643 -10.192 -10.192
  299   1HB   LYS  43          2HB       LYS  43  -3.831 -10.119 -10.119
  300   2HB   LYS  43          1HB       LYS  43  -2.368  -9.529  -9.529
  301   1HG   LYS  43          2HG       LYS  43  -2.511  -7.423  -7.423
  302   2HG   LYS  43          1HG       LYS  43  -3.413  -8.040  -8.040
  303   1HD   LYS  43          2HD       LYS  43  -4.885  -6.683  -6.683
  304   2HD   LYS  43          1HD       LYS  43  -5.398  -8.381  -8.381
  305   1HE   LYS  43          2HE       LYS  43  -5.417  -7.411  -7.411
  306   2HE   LYS  43          1HE       LYS  43  -4.152  -8.651  -8.651
  307   1HZ   LYS  43          1HZ       LYS  43  -3.747  -5.734  -5.734
  308   2HZ   LYS  43          3HZ       LYS  43  -3.375  -6.665  -6.665
  309   3HZ   LYS  43          2HZ       LYS  43  -2.553  -6.886  -6.886
  310    H    SER  44           H        SER  44  -1.542  -8.505  -8.505
  311    HA   SER  44           HA       SER  44   1.316  -8.301  -8.301
  312   1HB   SER  44          2HB       SER  44  -0.137  -7.527  -7.527
  313   2HB   SER  44          1HB       SER  44   1.590  -7.256  -7.256
  314    HG   SER  44           HG       SER  44   1.919  -9.270  -9.270
  315    H    LEU  45           H        LEU  45   2.142  -6.442  -6.442
  316    HA   LEU  45           HA       LEU  45   0.232  -4.283  -4.283
  317   1HB   LEU  45          2HB       LEU  45   2.952  -4.969  -4.969
  318   2HB   LEU  45          1HB       LEU  45   2.262  -3.354  -3.354
  319    HG   LEU  45           HG       LEU  45   0.610  -5.707  -5.707
  320   1HD1  LEU  45          1HD1      LEU  45   2.993  -4.862  -4.862
  321   2HD1  LEU  45          3HD1      LEU  45   1.685  -5.952  -5.952
  322   3HD1  LEU  45          2HD1      LEU  45   2.755  -6.429  -6.429
  323   1HD2  LEU  45          1HD2      LEU  45  -0.278  -3.441  -3.441
  324   2HD2  LEU  45          3HD2      LEU  45  -0.067  -4.242  -4.242
  325   3HD2  LEU  45          2HD2      LEU  45   1.099  -3.020  -3.020
  326    H    ASP  46           H        ASP  46   0.716  -2.011  -2.011
  327    HA   ASP  46           HA       ASP  46   2.718  -1.647  -1.647
  328   1HB   ASP  46          2HB       ASP  46  -0.244  -1.195  -1.195
  329   2HB   ASP  46          1HB       ASP  46   0.804  -0.003  -0.003
  330    H    GLU  47           H        GLU  47   3.265   0.662   0.662
  331    HA   GLU  47           HA       GLU  47   3.412   2.011   2.011
  332   1HB   GLU  47          2HB       GLU  47   5.356   2.267   2.267
  333   2HB   GLU  47          1HB       GLU  47   4.447   2.591   2.591
  334   1HG   GLU  47          2HG       GLU  47   3.934   4.803   4.803
  335   2HG   GLU  47          1HG       GLU  47   4.264   4.464   4.464
  336    H    GLY  48           H        GLY  48   1.482   2.815   2.815
  337   1HA   GLY  48          1HA       GLY  48   0.173   4.894   4.894
  338   2HA   GLY  48          2HA       GLY  48   0.069   4.738   4.738
  339    H    GLN  49           H        GLN  49  -0.428   2.487   2.487
  340    HA   GLN  49           HA       GLN  49  -3.117   1.923   1.923
  341   1HB   GLN  49          2HB       GLN  49  -1.192  -0.024  -0.024
  342   2HB   GLN  49          1HB       GLN  49  -2.880  -0.396  -0.396
  343   1HG   GLN  49          2HG       GLN  49  -1.538   0.757   0.757
  344   2HG   GLN  49          1HG       GLN  49  -0.573  -0.592  -0.592
  345   1HE2  GLN  49          1HE2      GLN  49  -2.854  -1.956  -1.956
  346   2HE2  GLN  49          2HE2      GLN  49  -3.765  -2.691  -2.691
  347    H    LYS  50           H        LYS  50  -4.846   1.713   1.713
  348    HA   LYS  50           HA       LYS  50  -4.175   2.764   2.764
  349   1HB   LYS  50          2HB       LYS  50  -5.802   3.963   3.963
  350   2HB   LYS  50          1HB       LYS  50  -6.936   2.640   2.640
  351   1HG   LYS  50          2HG       LYS  50  -7.511   3.641   3.641
  352   2HG   LYS  50          1HG       LYS  50  -5.829   3.526   3.526
  353   1HD   LYS  50          2HD       LYS  50  -6.118   5.826   5.826
  354   2HD   LYS  50          1HD       LYS  50  -5.534   5.645   5.645
  355   1HE   LYS  50          2HE       LYS  50  -7.538   7.116   7.116
  356   2HE   LYS  50          1HE       LYS  50  -7.863   5.657   5.657
  357   1HZ   LYS  50          1HZ       LYS  50  -8.569   6.059   6.059
  358   2HZ   LYS  50          3HZ       LYS  50  -9.622   6.131   6.131
  359   3HZ   LYS  50          2HZ       LYS  50  -8.891   4.695   4.695
  360    H    VAL  51           H        VAL  51  -3.718   1.093   1.093
  361    HA   VAL  51           HA       VAL  51  -5.615  -1.201  -1.201
  362    HB   VAL  51           HB       VAL  51  -3.932  -2.617  -2.617
  363   1HG1  VAL  51          1HG1      VAL  51  -2.686  -0.643  -0.643
  364   2HG1  VAL  51          3HG1      VAL  51  -2.121  -2.313  -2.313
  365   3HG1  VAL  51          2HG1      VAL  51  -3.732  -2.019  -2.019
  366   1HG2  VAL  51          1HG2      VAL  51  -2.916  -1.257  -1.257
  367   2HG2  VAL  51          3HG2      VAL  51  -1.650  -1.888  -1.888
  368   3HG2  VAL  51          2HG2      VAL  51  -2.165  -0.194  -0.194
  369    H    SER  52           H        SER  52  -5.036  -2.333  -2.333
  370    HA   SER  52           HA       SER  52  -5.289  -0.202  -0.202
  371   1HB   SER  52          2HB       SER  52  -7.388  -2.345  -2.345
  372   2HB   SER  52          1HB       SER  52  -7.412  -0.705  -0.705
  373    HG   SER  52           HG       SER  52  -8.768  -0.693  -0.693
  374    H    PHE  53           H        PHE  53  -5.142  -1.078  -1.078
  375    HA   PHE  53           HA       PHE  53  -4.390  -3.895  -3.895
  376   1HB   PHE  53          2HB       PHE  53  -2.078  -3.154  -3.154
  377   2HB   PHE  53          1HB       PHE  53  -2.303  -3.418  -3.418
  378    HD1  PHE  53           HD1      PHE  53  -3.704  -0.344  -0.344
  379    HD2  PHE  53           HD2      PHE  53  -0.307  -2.068  -2.068
  380    HE1  PHE  53           HE1      PHE  53  -2.852   1.932   1.932
  381    HE2  PHE  53           HE2      PHE  53   0.538   0.214   0.214
  382    HZ   PHE  53           HZ       PHE  53  -0.732   2.217   2.217
  383    H    THR  54           H        THR  54  -2.801  -3.411  -3.411
  384    HA   THR  54           HA       THR  54  -4.786  -1.982  -1.982
  385    HB   THR  54           HB       THR  54  -5.088  -4.370  -4.370
  386    HG1  THR  54           HG1      THR  54  -4.989  -3.759  -3.759
  387   1HG2  THR  54          2HG2      THR  54  -2.057  -4.315  -4.315
  388   2HG2  THR  54          1HG2      THR  54  -2.814  -5.400  -5.400
  389   3HG2  THR  54          3HG2      THR  54  -3.163  -5.606  -5.606
  390    H    ILE  55           H        ILE  55  -2.331  -0.961  -0.961
  391    HA   ILE  55           HA       ILE  55  -0.107  -0.397  -0.397
  392    HB   ILE  55           HB       ILE  55  -2.079   1.425   1.425
  393   1HG1  ILE  55          2HG1      ILE  55  -0.817   1.618   1.618
  394   2HG1  ILE  55          1HG1      ILE  55  -2.438   0.972   0.972
  395   1HG2  ILE  55          1HG2      ILE  55   0.814   1.952   1.952
  396   2HG2  ILE  55          3HG2      ILE  55  -0.349   3.198   3.198
  397   3HG2  ILE  55          2HG2      ILE  55   0.152   1.907   1.907
  398   1HD1  ILE  55          1HD1      ILE  55  -1.474   3.805   3.805
  399   2HD1  ILE  55          3HD1      ILE  55  -2.536   3.343   3.343
  400   3HD1  ILE  55          2HD1      ILE  55  -3.104   3.174   3.174
  401    H    GLU  56           H        GLU  56   0.757  -2.108  -2.108
  402    HA   GLU  56           HA       GLU  56   1.477  -1.373  -1.373
  403   1HB   GLU  56          2HB       GLU  56  -0.972  -3.078  -3.078
  404   2HB   GLU  56          1HB       GLU  56   0.228  -3.525  -3.525
  405   1HG   GLU  56          2HG       GLU  56   0.000  -0.741  -0.741
  406   2HG   GLU  56          1HG       GLU  56  -1.662  -1.277  -1.277
  407    H    SER  57           H        SER  57   3.305  -2.513  -2.513
  408    HA   SER  57           HA       SER  57   4.013  -4.720  -4.720
  409   1HB   SER  57          2HB       SER  57   6.220  -4.182  -4.182
  410   2HB   SER  57          1HB       SER  57   5.487  -2.594  -2.594
  411    HG   SER  57           HG       SER  57   5.468  -3.339  -3.339
  412    H    GLY  58           H        GLY  58   2.036  -5.039  -5.039
  413   1HA   GLY  58          1HA       GLY  58   1.621  -7.015  -7.015
  414   2HA   GLY  58          2HA       GLY  58   3.365  -7.316  -7.316
  415    H    ALA  59           H        ALA  59   4.380  -4.922  -4.922
  416    HA   ALA  59           HA       ALA  59   2.956  -3.634  -3.634
  417   1HB   ALA  59          3HB       ALA  59   2.939  -5.946  -5.946
  418   2HB   ALA  59          2HB       ALA  59   4.709  -5.998  -5.998
  419   3HB   ALA  59          1HB       ALA  59   3.943  -4.814  -4.814
  420    H    LYS  60           H        LYS  60   6.060  -5.132  -5.132
  421    HA   LYS  60           HA       LYS  60   7.869  -3.607  -3.607
  422   1HB   LYS  60          2HB       LYS  60   8.126  -5.445  -5.445
  423   2HB   LYS  60          1HB       LYS  60   8.339  -4.044  -4.044
  424   1HG   LYS  60          2HG       LYS  60  10.475  -3.857  -3.857
  425   2HG   LYS  60          1HG       LYS  60   9.901  -3.585  -3.585
  426   1HD   LYS  60          2HD       LYS  60  10.134  -6.373  -6.373
  427   2HD   LYS  60          1HD       LYS  60  11.524  -5.568  -5.568
  428   1HE   LYS  60          2HE       LYS  60   9.000  -5.501  -5.501
  429   2HE   LYS  60          1HE       LYS  60   9.691  -7.120  -7.120
  430   1HZ   LYS  60          1HZ       LYS  60  11.123  -4.765  -4.765
  431   2HZ   LYS  60          3HZ       LYS  60  10.544  -6.054  -6.054
  432   3HZ   LYS  60          2HZ       LYS  60  11.772  -6.279  -6.279
  433    H    GLY  61           H        GLY  61   6.015  -2.652  -2.652
  434   1HA   GLY  61          1HA       GLY  61   5.875   0.094   0.094
  435   2HA   GLY  61          2HA       GLY  61   7.227  -0.113  -0.113
  436    HA   PRO  62           HA       PRO  62   3.349   0.183   0.183
  437   1HB   PRO  62          2HB       PRO  62   4.302   2.269   2.269
  438   2HB   PRO  62          1HB       PRO  62   3.328   2.520   2.520
  439   1HG   PRO  62          2HG       PRO  62   6.195   2.983   2.983
  440   2HG   PRO  62          1HG       PRO  62   5.133   3.603   3.603
  441   1HD   PRO  62          2HD       PRO  62   7.077   1.512   1.512
  442   2HD   PRO  62          1HD       PRO  62   5.933   2.073   2.073
  443    H    ALA  63           H        ALA  63   2.946  -0.383  -0.383
  444    HA   ALA  63           HA       ALA  63   4.944  -0.862  -0.862
  445   1HB   ALA  63          3HB       ALA  63   5.834  -2.499  -2.499
  446   2HB   ALA  63          2HB       ALA  63   4.251  -3.302  -3.302
  447   3HB   ALA  63          1HB       ALA  63   5.219  -3.327  -3.327
  448    H    ALA  64           H        ALA  64   4.012  -3.353  -3.353
  449    HA   ALA  64           HA       ALA  64   1.462  -2.511  -2.511
  450   1HB   ALA  64          3HB       ALA  64   3.202  -3.877  -3.877
  451   2HB   ALA  64          2HB       ALA  64   2.943  -5.202  -5.202
  452   3HB   ALA  64          1HB       ALA  64   1.626  -4.713  -4.713
  453    H    GLY  65           H        GLY  65   0.526  -5.385  -5.385
  454   1HA   GLY  65          1HA       GLY  65  -0.145  -6.899  -6.899
  455   2HA   GLY  65          2HA       GLY  65  -0.819  -5.417  -5.417
  456    H    ASN  66           H        ASN  66  -1.216  -7.988  -7.988
  457    HA   ASN  66           HA       ASN  66  -2.980  -8.593  -8.593
  458   1HB   ASN  66          2HB       ASN  66  -4.359  -6.740  -6.740
  459   2HB   ASN  66          1HB       ASN  66  -5.255  -7.444  -7.444
  460   1HD2  ASN  66          1HD2      ASN  66  -5.346  -7.763  -7.763
  461   2HD2  ASN  66          2HD2      ASN  66  -5.246  -9.503  -9.503
  462    H    VAL  67           H        VAL  67  -1.438  -7.120  -7.120
  463    HA   VAL  67           HA       VAL  67  -2.691  -4.628  -4.628
  464    HB   VAL  67           HB       VAL  67  -0.639  -5.831  -5.831
  465   1HG1  VAL  67          1HG1      VAL  67  -0.887  -3.154  -3.154
  466   2HG1  VAL  67          3HG1      VAL  67   0.390  -3.578  -3.578
  467   3HG1  VAL  67          2HG1      VAL  67  -1.305  -3.486  -3.486
  468   1HG2  VAL  67          1HG2      VAL  67   0.098  -6.753  -6.753
  469   2HG2  VAL  67          3HG2      VAL  67   1.200  -5.448  -5.448
  470   3HG2  VAL  67          2HG2      VAL  67  -0.003  -5.148  -5.148
  471    H    THR  68           H        THR  68  -4.672  -4.894  -4.894
  472    HA   THR  68           HA       THR  68  -4.775  -6.825  -6.825
  473    HB   THR  68           HB       THR  68  -6.341  -7.683  -7.683
  474    HG1  THR  68           HG1      THR  68  -8.283  -6.280  -6.280
  475   1HG2  THR  68          2HG2      THR  68  -6.787  -4.729  -4.729
  476   2HG2  THR  68          1HG2      THR  68  -8.185  -5.811  -5.811
  477   3HG2  THR  68          3HG2      THR  68  -6.757  -6.072  -6.072
  478    H    SER  69           H        SER  69  -5.489  -6.074  -6.074
  479    HA   SER  69           HA       SER  69  -5.089  -3.454  -3.454
  480   1HB   SER  69          2HB       SER  69  -6.714  -3.917  -3.917
  481   2HB   SER  69          1HB       SER  69  -5.345  -5.035  -5.035
  482    HG   SER  69           HG       SER  69  -7.591  -5.788  -5.788
  483    H    LEU  70           H        LEU  70  -6.663  -1.731  -1.731
  484    HA   LEU  70           HA       LEU  70  -8.380  -0.333  -0.333
  485   1HB   LEU  70          2HB       LEU  70 -10.375  -1.210  -1.210
  486   2HB   LEU  70          1HB       LEU  70  -9.552  -2.783  -2.783
  487    HG   LEU  70           HG       LEU  70  -9.683  -2.513  -2.513
  488   1HD1  LEU  70          1HD1      LEU  70 -11.905  -0.606  -0.606
  489   2HD1  LEU  70          3HD1      LEU  70 -11.683  -1.265  -1.265
  490   3HD1  LEU  70          2HD1      LEU  70 -10.451  -0.203  -0.203
  491   1HD2  LEU  70          1HD2      LEU  70 -10.879  -4.266  -4.266
  492   2HD2  LEU  70          3HD2      LEU  70 -11.928  -3.604  -3.604
  493   3HD2  LEU  70          2HD2      LEU  70 -12.182  -3.131  -3.131

  Start of MODEL    4
    1    H    SER   2           H        SER   2 -14.170   2.719   2.719
    2    HA   SER   2           HA       SER   2 -15.604   0.484   0.484
    3   1HB   SER   2          2HB       SER   2 -15.195   0.693   0.693
    4   2HB   SER   2          1HB       SER   2 -13.550   1.312   1.312
    5    HG   SER   2           HG       SER   2 -14.081  -1.273  -1.273
    6    H    GLY   3           H        GLY   3 -12.078   1.343   1.343
    7   1HA   GLY   3          1HA       GLY   3 -11.051   0.831   0.831
    8   2HA   GLY   3          2HA       GLY   3 -11.466  -0.827  -0.827
    9    H    LYS   4           H        LYS   4 -10.931  -0.869  -0.869
   10    HA   LYS   4           HA       LYS   4  -8.110  -1.111  -1.111
   11   1HB   LYS   4          2HB       LYS   4 -10.298  -1.379  -1.379
   12   2HB   LYS   4          1HB       LYS   4  -8.645  -1.200  -1.200
   13   1HG   LYS   4          2HG       LYS   4  -9.058  -3.561  -3.561
   14   2HG   LYS   4          1HG       LYS   4  -7.969  -3.076  -3.076
   15   1HD   LYS   4          2HD       LYS   4 -10.845  -2.828  -2.828
   16   2HD   LYS   4          1HD       LYS   4 -10.337  -4.489  -4.489
   17   1HE   LYS   4          2HE       LYS   4  -8.540  -4.307  -4.307
   18   2HE   LYS   4          1HE       LYS   4  -9.000  -2.624  -2.624
   19   1HZ   LYS   4          1HZ       LYS   4 -10.718  -4.996  -4.996
   20   2HZ   LYS   4          3HZ       LYS   4  -9.931  -4.135  -4.135
   21   3HZ   LYS   4          2HZ       LYS   4 -11.151  -3.425  -3.425
   22    H    MET   5           H        MET   5  -6.587   0.034   0.034
   23    HA   MET   5           HA       MET   5  -7.326   2.927   2.927
   24   1HB   MET   5          2HB       MET   5  -4.523   2.721   2.721
   25   2HB   MET   5          1HB       MET   5  -5.564   3.313   3.313
   26   1HG   MET   5          2HG       MET   5  -4.994   0.351   0.351
   27   2HG   MET   5          1HG       MET   5  -3.907   1.389   1.389
   28   1HE   MET   5          1HE       MET   5  -4.743  -0.840  -0.840
   29   2HE   MET   5          3HE       MET   5  -6.411  -0.917  -0.917
   30   3HE   MET   5          2HE       MET   5  -6.088  -1.278  -1.278
   31    H    THR   6           H        THR   6  -6.857   3.977   3.977
   32    HA   THR   6           HA       THR   6  -6.470   2.292   2.292
   33    HB   THR   6           HB       THR   6  -6.781   4.423   4.423
   34    HG1  THR   6           HG1      THR   6  -6.760   5.890   5.890
   35   1HG2  THR   6          2HG2      THR   6  -8.388   3.978   3.978
   36   2HG2  THR   6          1HG2      THR   6  -8.566   5.541   5.541
   37   3HG2  THR   6          3HG2      THR   6  -8.973   4.045   4.045
   38    H    GLY   7           H        GLY   7  -4.749   2.870   2.870
   39   1HA   GLY   7          1HA       GLY   7  -2.305   4.125   4.125
   40   2HA   GLY   7          2HA       GLY   7  -2.154   2.416   2.416
   41    H    ILE   8           H        ILE   8  -2.098   4.731   4.731
   42    HA   ILE   8           HA       ILE   8  -2.515   2.705   2.705
   43    HB   ILE   8           HB       ILE   8  -2.837   4.341   4.341
   44   1HG1  ILE   8          2HG1      ILE   8  -1.673   6.732   6.732
   45   2HG1  ILE   8          1HG1      ILE   8  -0.536   5.681   5.681
   46   1HG2  ILE   8          1HG2      ILE   8  -3.206   5.843   5.843
   47   2HG2  ILE   8          3HG2      ILE   8  -3.898   6.334   6.334
   48   3HG2  ILE   8          2HG2      ILE   8  -4.397   4.810   4.810
   49   1HD1  ILE   8          1HD1      ILE   8  -1.395   5.361   5.361
   50   2HD1  ILE   8          3HD1      ILE   8   0.164   6.020   6.020
   51   3HD1  ILE   8          2HD1      ILE   8  -0.243   4.316   4.316
   52    H    VAL   9           H        VAL   9  -0.907   1.893   1.893
   53    HA   VAL   9           HA       VAL   9   1.804   2.099   2.099
   54    HB   VAL   9           HB       VAL   9   1.200  -0.068  -0.068
   55   1HG1  VAL   9          1HG1      VAL   9   0.091   0.697   0.697
   56   2HG1  VAL   9          3HG1      VAL   9   0.154  -0.961  -0.961
   57   3HG1  VAL   9          2HG1      VAL   9  -0.852   0.274   0.274
   58   1HG2  VAL   9          1HG2      VAL   9   3.426   0.362   0.362
   59   2HG2  VAL   9          3HG2      VAL   9   2.601  -0.921  -0.921
   60   3HG2  VAL   9          2HG2      VAL   9   2.707   0.725   0.725
   61    H    LYS  10           H        LYS  10   3.384   3.365   3.365
   62    HA   LYS  10           HA       LYS  10   2.773   4.676   4.676
   63   1HB   LYS  10          2HB       LYS  10   4.388   5.454   5.454
   64   2HB   LYS  10          1HB       LYS  10   4.777   6.166   6.166
   65   1HG   LYS  10          2HG       LYS  10   2.175   6.600   6.600
   66   2HG   LYS  10          1HG       LYS  10   2.246   6.385   6.385
   67   1HD   LYS  10          2HD       LYS  10   3.197   8.423   8.423
   68   2HD   LYS  10          1HD       LYS  10   4.369   8.149   8.149
   69   1HE   LYS  10          2HE       LYS  10   1.456   8.794   8.794
   70   2HE   LYS  10          1HE       LYS  10   2.644  10.079  10.079
   71   1HZ   LYS  10          1HZ       LYS  10   2.838   7.984   7.984
   72   2HZ   LYS  10          3HZ       LYS  10   2.412   9.579   9.579
   73   3HZ   LYS  10          2HZ       LYS  10   3.946   9.192   9.192
   74    H    TRP  11           H        TRP  11   5.279   2.797   2.797
   75    HA   TRP  11           HA       TRP  11   6.447   2.152   2.152
   76   1HB   TRP  11          2HB       TRP  11   8.394   2.184   2.184
   77   2HB   TRP  11          1HB       TRP  11   8.491   2.829   2.829
   78    HD1  TRP  11           HD1      TRP  11   8.351   4.079   4.079
   79    HE1  TRP  11           HE1      TRP  11   7.894   6.459   6.459
   80    HE3  TRP  11           HE3      TRP  11   6.864   4.738   4.738
   81    HZ2  TRP  11           HZ2      TRP  11   6.930   8.606   8.606
   82    HZ3  TRP  11           HZ3      TRP  11   6.196   7.042   7.042
   83    HH2  TRP  11           HH2      TRP  11   6.215   8.900   8.900
   84    H    PHE  12           H        PHE  12   7.665   0.057   0.057
   85    HA   PHE  12           HA       PHE  12   7.469  -1.799  -1.799
   86   1HB   PHE  12          2HB       PHE  12   5.384  -2.531  -2.531
   87   2HB   PHE  12          1HB       PHE  12   5.057  -1.399  -1.399
   88    HD1  PHE  12           HD2      PHE  12   6.953  -4.660  -4.660
   89    HD2  PHE  12           HD1      PHE  12   4.155  -2.307  -2.307
   90    HE1  PHE  12           HE2      PHE  12   6.704  -6.532  -6.532
   91    HE2  PHE  12           HE1      PHE  12   3.912  -4.185  -4.185
   92    HZ   PHE  12           HZ       PHE  12   5.186  -6.298  -6.298
   93    H    ASN  13           H        ASN  13   9.261  -2.990  -2.990
   94    HA   ASN  13           HA       ASN  13  10.198  -3.336  -3.336
   95   1HB   ASN  13          2HB       ASN  13  12.131  -3.026  -3.026
   96   2HB   ASN  13          1HB       ASN  13  11.362  -3.465  -3.465
   97   1HD2  ASN  13          1HD2      ASN  13  11.365  -5.554  -5.554
   98   2HD2  ASN  13          2HD2      ASN  13  12.336  -6.838  -6.838
   99    H    ALA  14           H        ALA  14   9.825  -5.144  -5.144
  100    HA   ALA  14           HA       ALA  14   8.702  -7.534  -7.534
  101   1HB   ALA  14          3HB       ALA  14   7.362  -6.510  -6.510
  102   2HB   ALA  14          2HB       ALA  14   8.742  -6.749  -6.749
  103   3HB   ALA  14          1HB       ALA  14   7.914  -8.159  -8.159
  104    H    ASP  15           H        ASP  15  11.624  -6.723  -6.723
  105    HA   ASP  15           HA       ASP  15  12.656  -8.895  -8.895
  106   1HB   ASP  15          2HB       ASP  15  14.330  -6.967  -6.967
  107   2HB   ASP  15          1HB       ASP  15  14.743  -7.842  -7.842
  108    H    LYS  16           H        LYS  16  12.860  -7.560  -7.560
  109    HA   LYS  16           HA       LYS  16  14.036 -10.133 -10.133
  110   1HB   LYS  16          2HB       LYS  16  14.956  -9.063  -9.063
  111   2HB   LYS  16          1HB       LYS  16  15.025  -7.813  -7.813
  112   1HG   LYS  16          2HG       LYS  16  13.910  -6.468  -6.468
  113   2HG   LYS  16          1HG       LYS  16  12.490  -7.500  -7.500
  114   1HD   LYS  16          2HD       LYS  16  12.767  -7.471  -7.471
  115   2HD   LYS  16          1HD       LYS  16  13.492  -9.012  -9.012
  116   1HE   LYS  16          2HE       LYS  16  15.048  -8.036  -8.036
  117   2HE   LYS  16          1HE       LYS  16  15.734  -7.744  -7.744
  118   1HZ   LYS  16          1HZ       LYS  16  14.137  -5.821  -5.821
  119   2HZ   LYS  16          3HZ       LYS  16  15.796  -5.790  -5.790
  120   3HZ   LYS  16          2HZ       LYS  16  14.790  -5.533  -5.533
  121    H    GLY  17           H        GLY  17  11.102  -8.228  -8.228
  122   1HA   GLY  17          1HA       GLY  17   8.994  -9.295  -9.295
  123   2HA   GLY  17          2HA       GLY  17   9.795 -10.372 -10.372
  124    H    PHE  18           H        PHE  18  10.071  -6.789  -6.789
  125    HA   PHE  18           HA       PHE  18   9.058  -6.444  -6.444
  126   1HB   PHE  18          2HB       PHE  18  11.280  -5.843  -5.843
  127   2HB   PHE  18          1HB       PHE  18  11.365  -5.280  -5.280
  128    HD1  PHE  18           HD2      PHE  18   9.987  -3.117  -3.117
  129    HD2  PHE  18           HD1      PHE  18  11.075  -4.238  -4.238
  130    HE1  PHE  18           HE2      PHE  18   9.687  -0.764  -0.764
  131    HE2  PHE  18           HE1      PHE  18  10.772  -1.882  -1.882
  132    HZ   PHE  18           HZ       PHE  18  10.080  -0.142  -0.142
  133    H    GLY  19           H        GLY  19   7.928  -4.392  -4.392
  134   1HA   GLY  19          1HA       GLY  19   6.885  -3.021  -3.021
  135   2HA   GLY  19          2HA       GLY  19   5.717  -3.813  -3.813
  136    H    PHE  20           H        PHE  20   6.384  -0.863  -0.863
  137    HA   PHE  20           HA       PHE  20   6.831   0.114   0.114
  138   1HB   PHE  20          2HB       PHE  20   8.634   0.694   0.694
  139   2HB   PHE  20          1HB       PHE  20   7.448   1.458   1.458
  140    HD1  PHE  20           HD2      PHE  20   5.955   3.365   3.365
  141    HD2  PHE  20           HD1      PHE  20   9.753   2.031   2.031
  142    HE1  PHE  20           HE2      PHE  20   6.207   5.514   5.514
  143    HE2  PHE  20           HE1      PHE  20   9.996   4.184   4.184
  144    HZ   PHE  20           HZ       PHE  20   8.227   5.928   5.928
  145    H    ILE  21           H        ILE  21   4.840   0.526   0.526
  146    HA   ILE  21           HA       ILE  21   2.843   1.734   1.734
  147    HB   ILE  21           HB       ILE  21   2.562   0.388   0.388
  148   1HG1  ILE  21          2HG1      ILE  21   2.108  -0.456  -0.456
  149   2HG1  ILE  21          1HG1      ILE  21   2.889  -1.335  -1.335
  150   1HG2  ILE  21          1HG2      ILE  21   0.401   1.601   1.601
  151   2HG2  ILE  21          3HG2      ILE  21   0.102   0.567   0.567
  152   3HG2  ILE  21          2HG2      ILE  21   0.885   2.148   2.148
  153   1HD1  ILE  21          1HD1      ILE  21  -0.107  -0.762  -0.762
  154   2HD1  ILE  21          3HD1      ILE  21   0.693  -2.326  -2.326
  155   3HD1  ILE  21          2HD1      ILE  21   0.662  -1.658  -1.658
  156    H    THR  22           H        THR  22   1.667   3.652   3.652
  157    HA   THR  22           HA       THR  22   3.187   5.267   5.267
  158    HB   THR  22           HB       THR  22   1.632   6.468   6.468
  159    HG1  THR  22           HG1      THR  22   3.464   6.087   6.087
  160   1HG2  THR  22          2HG2      THR  22   3.841   7.220   7.220
  161   2HG2  THR  22          1HG2      THR  22   3.966   7.826   7.826
  162   3HG2  THR  22          3HG2      THR  22   2.557   8.262   8.262
  163    HA   PRO  23           HA       PRO  23  -0.627   5.389   5.389
  164   1HB   PRO  23          2HB       PRO  23   0.092   7.472   7.472
  165   2HB   PRO  23          1HB       PRO  23   0.551   5.772   5.772
  166   1HG   PRO  23          2HG       PRO  23   2.179   8.071   8.071
  167   2HG   PRO  23          1HG       PRO  23   2.682   6.489   6.489
  168   1HD   PRO  23          2HD       PRO  23   2.762   7.389   7.389
  169   2HD   PRO  23          1HD       PRO  23   3.161   5.779   5.779
  170    H    ASP  24           H        ASP  24  -1.849   7.613   7.613
  171    HA   ASP  24           HA       ASP  24  -3.171   8.731   8.731
  172   1HB   ASP  24          2HB       ASP  24  -4.012  10.376  10.376
  173   2HB   ASP  24          1HB       ASP  24  -4.524   8.676   8.676
  174    H    ASP  25           H        ASP  25  -0.099   9.301   9.301
  175    HA   ASP  25           HA       ASP  25   1.104  11.043  11.043
  176   1HB   ASP  25          2HB       ASP  25  -0.934  12.318  12.318
  177   2HB   ASP  25          1HB       ASP  25  -1.117  12.754  12.754
  178    H    GLY  26           H        GLY  26   0.197  10.074  10.074
  179   1HA   GLY  26          1HA       GLY  26   1.153  11.935  11.935
  180   2HA   GLY  26          2HA       GLY  26   1.303  10.177  10.177
  181    H    SER  27           H        SER  27   2.879  10.335  10.335
  182    HA   SER  27           HA       SER  27   5.011  11.027  11.027
  183   1HB   SER  27          2HB       SER  27   4.985  12.703  12.703
  184   2HB   SER  27          1HB       SER  27   5.851  11.430  11.430
  185    HG   SER  27           HG       SER  27   6.940  13.219  13.219
  186    H    LYS  28           H        LYS  28   4.411   9.119   9.119
  187    HA   LYS  28           HA       LYS  28   6.680   7.553   7.553
  188   1HB   LYS  28          2HB       LYS  28   3.814   6.928   6.928
  189   2HB   LYS  28          1HB       LYS  28   5.117   5.750   5.750
  190   1HG   LYS  28          2HG       LYS  28   5.026   8.586   8.586
  191   2HG   LYS  28          1HG       LYS  28   4.657   7.109   7.109
  192   1HD   LYS  28          2HD       LYS  28   7.147   6.558   6.558
  193   2HD   LYS  28          1HD       LYS  28   7.259   8.290   8.290
  194   1HE   LYS  28          2HE       LYS  28   6.587   6.009   6.009
  195   2HE   LYS  28          1HE       LYS  28   8.029   7.044   7.044
  196   1HZ   LYS  28          1HZ       LYS  28   5.245   7.938   7.938
  197   2HZ   LYS  28          3HZ       LYS  28   6.405   7.714   7.714
  198   3HZ   LYS  28          2HZ       LYS  28   6.590   8.911   8.911
  199    H    ASP  29           H        ASP  29   7.215   5.421   5.421
  200    HA   ASP  29           HA       ASP  29   5.810   4.829   4.829
  201   1HB   ASP  29          2HB       ASP  29   8.190   3.831   3.831
  202   2HB   ASP  29          1HB       ASP  29   7.826   5.543   5.543
  203    H    VAL  30           H        VAL  30   4.780   2.911   2.911
  204    HA   VAL  30           HA       VAL  30   5.910   0.910   0.910
  205    HB   VAL  30           HB       VAL  30   3.567  -0.129  -0.129
  206   1HG1  VAL  30          1HG1      VAL  30   3.999   2.127   2.127
  207   2HG1  VAL  30          3HG1      VAL  30   2.638   0.972   0.972
  208   3HG1  VAL  30          2HG1      VAL  30   4.301   0.399   0.399
  209   1HG2  VAL  30          1HG2      VAL  30   2.933   1.622   1.622
  210   2HG2  VAL  30          3HG2      VAL  30   1.849   1.664   1.664
  211   3HG2  VAL  30          2HG2      VAL  30   3.138   2.870   2.870
  212    H    PHE  31           H        PHE  31   6.737  -1.017  -1.017
  213    HA   PHE  31           HA       PHE  31   7.001  -1.372  -1.372
  214   1HB   PHE  31          2HB       PHE  31   8.709  -2.905  -2.905
  215   2HB   PHE  31          1HB       PHE  31   8.930  -1.532  -1.532
  216    HD1  PHE  31           HD1      PHE  31   7.153  -4.881  -4.881
  217    HD2  PHE  31           HD2      PHE  31   9.376  -1.916  -1.916
  218    HE1  PHE  31           HE1      PHE  31   7.146  -6.367  -6.367
  219    HE2  PHE  31           HE2      PHE  31   9.364  -3.410  -3.410
  220    HZ   PHE  31           HZ       PHE  31   8.251  -5.635  -5.635
  221    H    VAL  32           H        VAL  32   6.654  -3.569  -3.569
  222    HA   VAL  32           HA       VAL  32   4.758  -5.254  -5.254
  223    HB   VAL  32           HB       VAL  32   3.053  -5.199  -5.199
  224   1HG1  VAL  32          1HG1      VAL  32   3.907  -2.348  -2.348
  225   2HG1  VAL  32          3HG1      VAL  32   2.273  -2.836  -2.836
  226   3HG1  VAL  32          2HG1      VAL  32   2.923  -3.425  -3.425
  227   1HG2  VAL  32          1HG2      VAL  32   4.380  -4.951  -4.951
  228   2HG2  VAL  32          3HG2      VAL  32   3.095  -3.712  -3.712
  229   3HG2  VAL  32          2HG2      VAL  32   4.775  -3.275  -3.275
  230    H    HIS  33           H        HIS  33   4.368  -7.355  -7.355
  231    HA   HIS  33           HA       HIS  33   6.482  -7.901  -7.901
  232   1HB   HIS  33          2HB       HIS  33   6.400  -8.866  -8.866
  233   2HB   HIS  33          1HB       HIS  33   6.287 -10.218 -10.218
  234    HD1  HIS  33           HD1      HIS  33   8.580 -11.075 -11.075
  235    HD2  HIS  33           HD2      HIS  33   8.861  -7.110  -7.110
  236    HE1  HIS  33           HE1      HIS  33  10.865 -10.446 -10.446
  237    H    PHE  34           H        PHE  34   5.963  -9.533  -9.533
  238    HA   PHE  34           HA       PHE  34   3.361  -9.771  -9.771
  239   1HB   PHE  34          2HB       PHE  34   5.714 -11.660 -11.660
  240   2HB   PHE  34          1HB       PHE  34   4.185 -12.055 -12.055
  241    HD1  PHE  34           HD1      PHE  34   5.966  -8.724  -8.724
  242    HD2  PHE  34           HD2      PHE  34   4.520 -11.939 -11.939
  243    HE1  PHE  34           HE1      PHE  34   6.585  -7.428  -7.428
  244    HE2  PHE  34           HE2      PHE  34   5.143 -10.635 -10.635
  245    HZ   PHE  34           HZ       PHE  34   6.177  -8.381  -8.381
  246    H    SER  35           H        SER  35   4.880 -11.460 -11.460
  247    HA   SER  35           HA       SER  35   2.810 -13.451 -13.451
  248   1HB   SER  35          2HB       SER  35   5.139 -13.673 -13.673
  249   2HB   SER  35          1HB       SER  35   4.713 -12.459 -12.459
  250    HG   SER  35           HG       SER  35   4.340 -15.049 -15.049
  251    H    ALA  36           H        ALA  36   1.525 -11.022 -11.022
  252    HA   ALA  36           HA       ALA  36  -0.394 -10.932 -10.932
  253   1HB   ALA  36          3HB       ALA  36   1.499  -9.941  -9.941
  254   2HB   ALA  36          2HB       ALA  36   1.692  -8.680  -8.680
  255   3HB   ALA  36          1HB       ALA  36   0.195  -8.755  -8.755
  256    H    ILE  37           H        ILE  37  -1.274 -11.013 -11.013
  257    HA   ILE  37           HA       ILE  37  -1.995  -8.278  -8.278
  258    HB   ILE  37           HB       ILE  37  -0.034  -8.542  -8.542
  259   1HG1  ILE  37          2HG1      ILE  37  -2.596  -8.060  -8.060
  260   2HG1  ILE  37          1HG1      ILE  37  -1.032  -7.406  -7.406
  261   1HG2  ILE  37          1HG2      ILE  37  -1.240 -11.103 -11.103
  262   2HG2  ILE  37          3HG2      ILE  37   0.250 -10.320 -10.320
  263   3HG2  ILE  37          2HG2      ILE  37   0.181 -10.967 -10.967
  264   1HD1  ILE  37          1HD1      ILE  37  -2.254 -10.062 -10.062
  265   2HD1  ILE  37          3HD1      ILE  37  -2.197  -8.554  -8.554
  266   3HD1  ILE  37          2HD1      ILE  37  -0.697  -9.408  -9.408
  267    H    GLN  38           H        GLN  38  -3.546 -10.150 -10.150
  268    HA   GLN  38           HA       GLN  38  -5.344 -11.555 -11.555
  269   1HB   GLN  38          2HB       GLN  38  -6.325  -9.674  -9.674
  270   2HB   GLN  38          1HB       GLN  38  -7.240 -10.452 -10.452
  271   1HG   GLN  38          2HG       GLN  38  -5.068  -8.358  -8.358
  272   2HG   GLN  38          1HG       GLN  38  -6.798  -7.974  -7.974
  273   1HE2  GLN  38          1HE2      GLN  38  -4.196  -9.007  -9.007
  274   2HE2  GLN  38          2HE2      GLN  38  -5.074  -9.385  -9.385
  275    H    ASN  39           H        ASN  39  -3.159 -12.466 -12.466
  276    HA   ASN  39           HA       ASN  39  -2.670 -13.787 -13.787
  277   1HB   ASN  39          2HB       ASN  39  -4.769 -14.926 -14.926
  278   2HB   ASN  39          1HB       ASN  39  -5.442 -14.830 -14.830
  279   1HD2  ASN  39          1HD2      ASN  39  -2.228 -15.435 -15.435
  280   2HD2  ASN  39          2HD2      ASN  39  -1.888 -16.944 -16.944
  281    H    ASP  40           H        ASP  40  -4.271 -14.804 -14.804
  282    HA   ASP  40           HA       ASP  40  -6.007 -13.258 -13.258
  283   1HB   ASP  40          2HB       ASP  40  -4.853 -11.234 -11.234
  284   2HB   ASP  40          1HB       ASP  40  -3.267 -12.022 -12.022
  285    H    GLY  41           H        GLY  41  -2.614 -14.464 -14.464
  286   1HA   GLY  41          1HA       GLY  41  -2.405 -16.668 -16.668
  287   2HA   GLY  41          2HA       GLY  41  -3.588 -16.088 -16.088
  288    H    TYR  42           H        TYR  42  -2.861 -13.668 -13.668
  289    HA   TYR  42           HA       TYR  42  -0.113 -14.167 -14.167
  290   1HB   TYR  42          1HB       TYR  42  -0.815 -12.182 -12.182
  291   2HB   TYR  42          2HB       TYR  42  -1.482 -13.781 -13.781
  292    HD1  TYR  42           HD1      TYR  42  -3.835 -14.349 -14.349
  293    HD2  TYR  42           HD2      TYR  42  -2.284 -10.322 -10.322
  294    HE1  TYR  42           HE1      TYR  42  -6.141 -13.450 -13.450
  295    HE2  TYR  42           HE2      TYR  42  -4.592  -9.424  -9.424
  296    HH   TYR  42           HH       TYR  42  -7.421 -11.481 -11.481
  297    H    LYS  43           H        LYS  43   1.420 -13.380 -13.380
  298    HA   LYS  43           HA       LYS  43   0.920 -11.139 -11.139
  299   1HB   LYS  43          2HB       LYS  43   3.669 -12.152 -12.152
  300   2HB   LYS  43          1HB       LYS  43   3.101 -11.439 -11.439
  301   1HG   LYS  43          2HG       LYS  43   2.364 -14.158 -14.158
  302   2HG   LYS  43          1HG       LYS  43   3.332 -13.847 -13.847
  303   1HD   LYS  43          2HD       LYS  43   1.034 -12.467 -12.467
  304   2HD   LYS  43          1HD       LYS  43   0.382 -13.789 -13.789
  305   1HE   LYS  43          2HE       LYS  43   1.951 -13.944 -13.944
  306   2HE   LYS  43          1HE       LYS  43   0.344 -14.606 -14.606
  307   1HZ   LYS  43          1HZ       LYS  43   2.894 -15.512 -15.512
  308   2HZ   LYS  43          3HZ       LYS  43   2.034 -16.295 -16.295
  309   3HZ   LYS  43          2HZ       LYS  43   1.396 -16.150 -16.150
  310    H    SER  44           H        SER  44   0.395  -9.215  -9.215
  311    HA   SER  44           HA       SER  44   2.509  -7.828  -7.828
  312   1HB   SER  44          2HB       SER  44  -0.014  -7.893  -7.893
  313   2HB   SER  44          1HB       SER  44   1.663  -7.657  -7.657
  314    HG   SER  44           HG       SER  44   1.918  -9.794  -9.794
  315    H    LEU  45           H        LEU  45   2.307  -5.620  -5.620
  316    HA   LEU  45           HA       LEU  45  -0.329  -4.576  -4.576
  317   1HB   LEU  45          2HB       LEU  45   2.018  -4.724  -4.724
  318   2HB   LEU  45          1HB       LEU  45   0.895  -3.355  -3.355
  319    HG   LEU  45           HG       LEU  45  -0.652  -5.700  -5.700
  320   1HD1  LEU  45          1HD1      LEU  45   1.624  -5.966  -5.966
  321   2HD1  LEU  45          3HD1      LEU  45   0.147  -6.966  -6.966
  322   3HD1  LEU  45          2HD1      LEU  45   1.285  -7.035  -7.035
  323   1HD2  LEU  45          1HD2      LEU  45  -1.291  -3.641  -3.641
  324   2HD2  LEU  45          3HD2      LEU  45  -1.343  -5.022  -5.022
  325   3HD2  LEU  45          2HD2      LEU  45   0.011  -3.877  -3.877
  326    H    ASP  46           H        ASP  46  -0.237  -2.090  -2.090
  327    HA   ASP  46           HA       ASP  46   1.782  -1.088  -1.088
  328   1HB   ASP  46          2HB       ASP  46  -0.941   0.068   0.068
  329   2HB   ASP  46          1HB       ASP  46   0.158   0.578   0.578
  330    H    GLU  47           H        GLU  47   2.687   1.013   1.013
  331    HA   GLU  47           HA       GLU  47   2.960   1.599   1.599
  332   1HB   GLU  47          2HB       GLU  47   4.454   3.489   3.489
  333   2HB   GLU  47          1HB       GLU  47   4.971   1.821   1.821
  334   1HG   GLU  47          2HG       GLU  47   3.891   1.978   1.978
  335   2HG   GLU  47          1HG       GLU  47   3.499   3.674   3.674
  336    H    GLY  48           H        GLY  48   0.592   2.058   2.058
  337   1HA   GLY  48          1HA       GLY  48  -0.084   4.590   4.590
  338   2HA   GLY  48          2HA       GLY  48  -0.358   4.603   4.603
  339    H    GLN  49           H        GLN  49  -0.987   2.445   2.445
  340    HA   GLN  49           HA       GLN  49  -3.784   2.240   2.240
  341   1HB   GLN  49          2HB       GLN  49  -2.061  -0.096  -0.096
  342   2HB   GLN  49          1HB       GLN  49  -3.807  -0.173  -0.173
  343   1HG   GLN  49          2HG       GLN  49  -3.066   0.870   0.870
  344   2HG   GLN  49          1HG       GLN  49  -1.510   0.128   0.128
  345   1HE2  GLN  49          1HE2      GLN  49  -3.114  -1.866  -1.866
  346   2HE2  GLN  49          2HE2      GLN  49  -3.682  -3.071  -3.071
  347    H    LYS  50           H        LYS  50  -5.344   1.774   1.774
  348    HA   LYS  50           HA       LYS  50  -4.329   2.748   2.748
  349   1HB   LYS  50          2HB       LYS  50  -6.288   3.819   3.819
  350   2HB   LYS  50          1HB       LYS  50  -7.229   2.395   2.395
  351   1HG   LYS  50          2HG       LYS  50  -7.546   3.297   3.297
  352   2HG   LYS  50          1HG       LYS  50  -5.790   3.364   3.364
  353   1HD   LYS  50          2HD       LYS  50  -6.317   5.618   5.618
  354   2HD   LYS  50          1HD       LYS  50  -6.000   5.513   5.513
  355   1HE   LYS  50          2HE       LYS  50  -8.625   4.893   4.893
  356   2HE   LYS  50          1HE       LYS  50  -8.597   5.836   5.836
  357   1HZ   LYS  50          1HZ       LYS  50  -7.601   6.743   6.743
  358   2HZ   LYS  50          3HZ       LYS  50  -9.037   7.200   7.200
  359   3HZ   LYS  50          2HZ       LYS  50  -7.586   7.638   7.638
  360    H    VAL  51           H        VAL  51  -4.004   1.401   1.401
  361    HA   VAL  51           HA       VAL  51  -5.455  -1.192  -1.192
  362    HB   VAL  51           HB       VAL  51  -3.631  -2.354  -2.354
  363   1HG1  VAL  51          1HG1      VAL  51  -2.195   0.320   0.320
  364   2HG1  VAL  51          3HG1      VAL  51  -1.507  -1.275  -1.275
  365   3HG1  VAL  51          2HG1      VAL  51  -2.918  -0.653  -0.653
  366   1HG2  VAL  51          1HG2      VAL  51  -3.283  -2.082  -2.082
  367   2HG2  VAL  51          3HG2      VAL  51  -1.712  -2.103  -2.103
  368   3HG2  VAL  51          2HG2      VAL  51  -2.396  -0.570  -0.570
  369    H    SER  52           H        SER  52  -5.532  -2.236  -2.236
  370    HA   SER  52           HA       SER  52  -5.628  -0.100  -0.100
  371   1HB   SER  52          2HB       SER  52  -7.853  -0.631  -0.631
  372   2HB   SER  52          1HB       SER  52  -7.544  -2.259  -2.259
  373    HG   SER  52           HG       SER  52  -6.693  -2.636  -2.636
  374    H    PHE  53           H        PHE  53  -4.333  -0.385  -0.385
  375    HA   PHE  53           HA       PHE  53  -3.154  -3.129  -3.129
  376   1HB   PHE  53          2HB       PHE  53  -1.221  -1.928  -1.928
  377   2HB   PHE  53          1HB       PHE  53  -1.481  -1.584  -1.584
  378    HD1  PHE  53           HD2      PHE  53  -2.593  -0.128  -0.128
  379    HD2  PHE  53           HD1      PHE  53  -1.167   0.618   0.618
  380    HE1  PHE  53           HE2      PHE  53  -2.575   2.315   2.315
  381    HE2  PHE  53           HE1      PHE  53  -1.152   3.058   3.058
  382    HZ   PHE  53           HZ       PHE  53  -1.856   3.912   3.912
  383    H    THR  54           H        THR  54  -2.148  -2.986  -2.986
  384    HA   THR  54           HA       THR  54  -4.268  -1.889  -1.889
  385    HB   THR  54           HB       THR  54  -4.946  -4.224  -4.224
  386    HG1  THR  54           HG1      THR  54  -4.755  -4.676  -4.676
  387   1HG2  THR  54          2HG2      THR  54  -1.953  -4.648  -4.648
  388   2HG2  THR  54          1HG2      THR  54  -3.019  -5.845  -5.845
  389   3HG2  THR  54          3HG2      THR  54  -3.123  -5.566  -5.566
  390    H    ILE  55           H        ILE  55  -1.520  -1.005  -1.005
  391    HA   ILE  55           HA       ILE  55   0.506  -0.541  -0.541
  392    HB   ILE  55           HB       ILE  55  -1.430   0.070   0.070
  393   1HG1  ILE  55          2HG1      ILE  55  -0.383   1.529   1.529
  394   2HG1  ILE  55          1HG1      ILE  55  -2.035   1.437   1.437
  395   1HG2  ILE  55          1HG2      ILE  55   1.472   0.960   0.960
  396   2HG2  ILE  55          3HG2      ILE  55   0.284   1.623   1.623
  397   3HG2  ILE  55          2HG2      ILE  55   0.774  -0.079  -0.079
  398   1HD1  ILE  55          1HD1      ILE  55   0.284   2.994   2.994
  399   2HD1  ILE  55          3HD1      ILE  55  -1.068   3.695   3.695
  400   3HD1  ILE  55          2HD1      ILE  55  -1.370   2.923   2.923
  401    H    GLU  56           H        GLU  56   1.492  -2.623  -2.623
  402    HA   GLU  56           HA       GLU  56   1.321  -4.122  -4.122
  403   1HB   GLU  56          2HB       GLU  56   1.551  -4.903  -4.903
  404   2HB   GLU  56          1HB       GLU  56   2.876  -5.596  -5.596
  405   1HG   GLU  56          2HG       GLU  56   0.819  -6.091  -6.091
  406   2HG   GLU  56          1HG       GLU  56  -0.082  -6.073  -6.073
  407    H    SER  57           H        SER  57   3.473  -5.185  -5.185
  408    HA   SER  57           HA       SER  57   5.570  -3.097  -3.097
  409   1HB   SER  57          2HB       SER  57   4.920  -3.420  -3.420
  410   2HB   SER  57          1HB       SER  57   4.972  -5.187  -5.187
  411    HG   SER  57           HG       SER  57   7.358  -4.565  -4.565
  412    H    GLY  58           H        GLY  58   7.657  -3.608  -3.608
  413   1HA   GLY  58          1HA       GLY  58   8.069  -6.442  -6.442
  414   2HA   GLY  58          2HA       GLY  58   8.574  -5.037  -5.037
  415    H    ALA  59           H        ALA  59  10.630  -4.272  -4.272
  416    HA   ALA  59           HA       ALA  59  12.027  -4.956  -4.956
  417   1HB   ALA  59          3HB       ALA  59  12.799  -6.420  -6.420
  418   2HB   ALA  59          2HB       ALA  59  13.156  -4.963  -4.963
  419   3HB   ALA  59          1HB       ALA  59  14.078  -5.293  -5.293
  420    H    LYS  60           H        LYS  60  12.780  -3.196  -3.196
  421    HA   LYS  60           HA       LYS  60  14.288  -1.197  -1.197
  422   1HB   LYS  60          2HB       LYS  60  12.984  -1.691  -1.691
  423   2HB   LYS  60          1HB       LYS  60  12.683   0.004   0.004
  424   1HG   LYS  60          2HG       LYS  60  14.740   0.001   0.001
  425   2HG   LYS  60          1HG       LYS  60  15.200   0.163   0.163
  426   1HD   LYS  60          2HD       LYS  60  15.561  -2.332  -2.332
  427   2HD   LYS  60          1HD       LYS  60  15.229  -2.384  -2.384
  428   1HE   LYS  60          2HE       LYS  60  17.705  -2.294  -2.294
  429   2HE   LYS  60          1HE       LYS  60  17.190  -1.114  -1.114
  430   1HZ   LYS  60          1HZ       LYS  60  17.428  -0.612  -0.612
  431   2HZ   LYS  60          3HZ       LYS  60  18.503  -0.111  -0.111
  432   3HZ   LYS  60          2HZ       LYS  60  16.961   0.505   0.505
  433    H    GLY  61           H        GLY  61  10.702  -1.364  -1.364
  434   1HA   GLY  61          1HA       GLY  61  10.218   0.015   0.015
  435   2HA   GLY  61          2HA       GLY  61  10.249   1.257   1.257
  436    HA   PRO  62           HA       PRO  62   6.097   0.058   0.058
  437   1HB   PRO  62          2HB       PRO  62   5.875   1.326   1.326
  438   2HB   PRO  62          1HB       PRO  62   5.707   2.162   2.162
  439   1HG   PRO  62          2HG       PRO  62   7.916   2.214   2.214
  440   2HG   PRO  62          1HG       PRO  62   7.538   3.333   3.333
  441   1HD   PRO  62          2HD       PRO  62   9.580   1.329   1.329
  442   2HD   PRO  62          1HD       PRO  62   9.120   2.382   2.382
  443    H    ALA  63           H        ALA  63   4.687  -0.926  -0.926
  444    HA   ALA  63           HA       ALA  63   5.816  -2.399  -2.399
  445   1HB   ALA  63          3HB       ALA  63   7.044  -3.610  -3.610
  446   2HB   ALA  63          2HB       ALA  63   5.486  -3.985  -3.985
  447   3HB   ALA  63          1HB       ALA  63   5.872  -4.673  -4.673
  448    H    ALA  64           H        ALA  64   3.760  -1.575  -1.575
  449    HA   ALA  64           HA       ALA  64   1.218  -1.997  -1.997
  450   1HB   ALA  64          3HB       ALA  64   1.714  -0.777  -0.777
  451   2HB   ALA  64          2HB       ALA  64   2.067  -2.333  -2.333
  452   3HB   ALA  64          1HB       ALA  64   0.422  -1.990  -1.990
  453    H    GLY  65           H        GLY  65  -0.057  -3.739  -3.739
  454   1HA   GLY  65          1HA       GLY  65   0.866  -6.372  -6.372
  455   2HA   GLY  65          2HA       GLY  65   0.048  -6.151  -6.151
  456    H    ASN  66           H        ASN  66  -0.775  -7.875  -7.875
  457    HA   ASN  66           HA       ASN  66  -2.608  -8.338  -8.338
  458   1HB   ASN  66          2HB       ASN  66  -3.784  -6.746  -6.746
  459   2HB   ASN  66          1HB       ASN  66  -4.821  -7.357  -7.357
  460   1HD2  ASN  66          1HD2      ASN  66  -4.442  -7.955  -7.955
  461   2HD2  ASN  66          2HD2      ASN  66  -4.279  -9.713  -9.713
  462    H    VAL  67           H        VAL  67  -1.318  -6.683  -6.683
  463    HA   VAL  67           HA       VAL  67  -2.814  -4.199  -4.199
  464    HB   VAL  67           HB       VAL  67  -1.146  -3.800  -3.800
  465   1HG1  VAL  67          1HG1      VAL  67  -0.036  -4.543  -4.543
  466   2HG1  VAL  67          3HG1      VAL  67   0.785  -3.505  -3.505
  467   3HG1  VAL  67          2HG1      VAL  67  -0.745  -2.985  -2.985
  468   1HG2  VAL  67          1HG2      VAL  67  -0.647  -6.113  -6.113
  469   2HG2  VAL  67          3HG2      VAL  67   0.847  -5.286  -5.286
  470   3HG2  VAL  67          2HG2      VAL  67   0.048  -6.446  -6.446
  471    H    THR  68           H        THR  68  -4.798  -4.493  -4.493
  472    HA   THR  68           HA       THR  68  -5.086  -6.515  -6.515
  473    HB   THR  68           HB       THR  68  -6.977  -6.718  -6.718
  474    HG1  THR  68           HG1      THR  68  -8.422  -6.032  -6.032
  475   1HG2  THR  68          2HG2      THR  68  -6.439  -3.776  -3.776
  476   2HG2  THR  68          1HG2      THR  68  -8.119  -4.336  -4.336
  477   3HG2  THR  68          3HG2      THR  68  -6.881  -5.036  -5.036
  478    H    SER  69           H        SER  69  -4.987  -6.013  -6.013
  479    HA   SER  69           HA       SER  69  -4.706  -3.188  -3.188
  480   1HB   SER  69          2HB       SER  69  -4.477  -4.321  -4.321
  481   2HB   SER  69          1HB       SER  69  -3.153  -4.424  -4.424
  482    HG   SER  69           HG       SER  69  -3.519  -6.529  -6.529
  483    H    LEU  70           H        LEU  70  -6.307  -1.926  -1.926
  484    HA   LEU  70           HA       LEU  70  -8.893  -3.224  -3.224
  485   1HB   LEU  70          2HB       LEU  70  -8.044  -0.359  -0.359
  486   2HB   LEU  70          1HB       LEU  70  -9.693  -0.854  -0.854
  487    HG   LEU  70           HG       LEU  70  -8.958  -0.264  -0.264
  488   1HD1  LEU  70          1HD1      LEU  70 -10.843  -2.549  -2.549
  489   2HD1  LEU  70          3HD1      LEU  70 -10.817  -1.685  -1.685
  490   3HD1  LEU  70          2HD1      LEU  70 -11.241  -0.821  -0.821
  491   1HD2  LEU  70          1HD2      LEU  70  -7.175  -1.941  -1.941
  492   2HD2  LEU  70          3HD2      LEU  70  -8.479  -2.324  -2.324
  493   3HD2  LEU  70          2HD2      LEU  70  -8.327  -3.245  -3.245

  Start of MODEL    5
    1    H    SER   2           H        SER   2  -8.294   1.996   1.996
    2    HA   SER   2           HA       SER   2 -10.043   0.411   0.411
    3   1HB   SER   2          2HB       SER   2 -10.577   1.054   1.054
    4   2HB   SER   2          1HB       SER   2 -10.680  -0.685  -0.685
    5    HG   SER   2           HG       SER   2 -12.690   0.430   0.430
    6    H    GLY   3           H        GLY   3  -7.877   0.113   0.113
    7   1HA   GLY   3          1HA       GLY   3  -5.966  -1.564  -1.564
    8   2HA   GLY   3          2HA       GLY   3  -7.250  -2.674  -2.674
    9    H    LYS   4           H        LYS   4  -8.243  -1.638  -1.638
   10    HA   LYS   4           HA       LYS   4  -5.860  -1.693  -1.693
   11   1HB   LYS   4          2HB       LYS   4  -8.706  -2.562  -2.562
   12   2HB   LYS   4          1HB       LYS   4  -7.763  -2.126  -2.126
   13   1HG   LYS   4          2HG       LYS   4  -6.273  -3.896  -3.896
   14   2HG   LYS   4          1HG       LYS   4  -6.528  -3.962  -3.962
   15   1HD   LYS   4          2HD       LYS   4  -7.676  -5.870  -5.870
   16   2HD   LYS   4          1HD       LYS   4  -8.986  -4.674  -4.674
   17   1HE   LYS   4          2HE       LYS   4  -7.292  -5.574  -5.574
   18   2HE   LYS   4          1HE       LYS   4  -8.966  -6.067  -6.067
   19   1HZ   LYS   4          1HZ       LYS   4  -8.037  -3.304  -3.304
   20   2HZ   LYS   4          3HZ       LYS   4  -8.842  -4.277  -4.277
   21   3HZ   LYS   4          2HZ       LYS   4  -9.608  -3.756  -3.756
   22    H    MET   5           H        MET   5  -5.865  -0.276  -0.276
   23    HA   MET   5           HA       MET   5  -7.617   2.066   2.066
   24   1HB   MET   5          2HB       MET   5  -5.323   3.464   3.464
   25   2HB   MET   5          1HB       MET   5  -6.191   3.138   3.138
   26   1HG   MET   5          2HG       MET   5  -4.736   1.161   1.161
   27   2HG   MET   5          1HG       MET   5  -3.888   1.478   1.478
   28   1HE   MET   5          1HE       MET   5  -4.486   2.473   2.473
   29   2HE   MET   5          3HE       MET   5  -3.770   4.104   4.104
   30   3HE   MET   5          2HE       MET   5  -5.267   3.848   3.848
   31    H    THR   6           H        THR   6  -7.069   3.568   3.568
   32    HA   THR   6           HA       THR   6  -6.481   1.932   1.932
   33    HB   THR   6           HB       THR   6  -7.231   3.953   3.953
   34    HG1  THR   6           HG1      THR   6  -6.495   5.696   5.696
   35   1HG2  THR   6          2HG2      THR   6  -8.673   3.210   3.210
   36   2HG2  THR   6          1HG2      THR   6  -9.172   4.703   4.703
   37   3HG2  THR   6          3HG2      THR   6  -9.289   3.151   3.151
   38    H    GLY   7           H        GLY   7  -4.991   3.022   3.022
   39   1HA   GLY   7          1HA       GLY   7  -2.868   4.698   4.698
   40   2HA   GLY   7          2HA       GLY   7  -2.322   3.167   3.167
   41    H    ILE   8           H        ILE   8  -1.976   4.953   4.953
   42    HA   ILE   8           HA       ILE   8  -2.492   2.880   2.880
   43    HB   ILE   8           HB       ILE   8  -2.267   4.428   4.428
   44   1HG1  ILE   8          2HG1      ILE   8   0.061   5.413   5.413
   45   2HG1  ILE   8          1HG1      ILE   8  -0.024   4.955   4.955
   46   1HG2  ILE   8          1HG2      ILE   8  -2.624   6.179   6.179
   47   2HG2  ILE   8          3HG2      ILE   8  -2.991   6.676   6.676
   48   3HG2  ILE   8          2HG2      ILE   8  -3.902   5.354   5.354
   49   1HD1  ILE   8          1HD1      ILE   8  -1.204   7.497   7.497
   50   2HD1  ILE   8          3HD1      ILE   8   0.293   7.396   7.396
   51   3HD1  ILE   8          2HD1      ILE   8  -1.278   7.054   7.054
   52    H    VAL   9           H        VAL   9  -0.944   1.625   1.625
   53    HA   VAL   9           HA       VAL   9   1.663   1.507   1.507
   54    HB   VAL   9           HB       VAL   9   0.512  -0.511  -0.511
   55   1HG1  VAL   9          1HG1      VAL   9   0.142  -0.285  -0.285
   56   2HG1  VAL   9          3HG1      VAL   9  -0.305  -1.702  -1.702
   57   3HG1  VAL   9          2HG1      VAL   9  -1.126  -0.147  -0.147
   58   1HG2  VAL   9          1HG2      VAL   9   2.914  -0.746  -0.746
   59   2HG2  VAL   9          3HG2      VAL   9   2.002  -2.054  -2.054
   60   3HG2  VAL   9          2HG2      VAL   9   2.608  -0.677  -0.677
   61    H    LYS  10           H        LYS  10   3.599   1.922   1.922
   62    HA   LYS  10           HA       LYS  10   3.636   2.113   2.113
   63   1HB   LYS  10          2HB       LYS  10   4.400   4.571   4.571
   64   2HB   LYS  10          1HB       LYS  10   4.269   4.396   4.396
   65   1HG   LYS  10          2HG       LYS  10   1.823   3.980   3.980
   66   2HG   LYS  10          1HG       LYS  10   1.981   4.190   4.190
   67   1HD   LYS  10          2HD       LYS  10   1.906   6.440   6.440
   68   2HD   LYS  10          1HD       LYS  10   3.179   6.429   6.429
   69   1HE   LYS  10          2HE       LYS  10   1.596   6.162   6.162
   70   2HE   LYS  10          1HE       LYS  10   0.314   5.651   5.651
   71   1HZ   LYS  10          1HZ       LYS  10   1.521   8.346   8.346
   72   2HZ   LYS  10          3HZ       LYS  10   0.025   7.907   7.907
   73   3HZ   LYS  10          2HZ       LYS  10   0.310   7.882   7.882
   74    H    TRP  11           H        TRP  11   4.844   0.767   0.767
   75    HA   TRP  11           HA       TRP  11   7.588   0.804   0.804
   76   1HB   TRP  11          2HB       TRP  11   7.079   1.094   1.094
   77   2HB   TRP  11          1HB       TRP  11   8.630   1.157   1.157
   78    HD1  TRP  11           HD1      TRP  11   9.420   3.671   3.671
   79    HE1  TRP  11           HE1      TRP  11   8.478   5.911   5.911
   80    HE3  TRP  11           HE3      TRP  11   4.618   2.262   2.262
   81    HZ2  TRP  11           HZ2      TRP  11   5.787   7.110   7.110
   82    HZ3  TRP  11           HZ3      TRP  11   2.951   4.094   4.094
   83    HH2  TRP  11           HH2      TRP  11   3.474   6.406   6.406
   84    H    PHE  12           H        PHE  12   5.255  -1.031  -1.031
   85    HA   PHE  12           HA       PHE  12   5.879  -3.268  -3.268
   86   1HB   PHE  12          2HB       PHE  12   3.744  -3.675  -3.675
   87   2HB   PHE  12          1HB       PHE  12   3.698  -2.400  -2.400
   88    HD1  PHE  12           HD2      PHE  12   3.990  -2.857  -2.857
   89    HD2  PHE  12           HD1      PHE  12   4.056  -6.052  -6.052
   90    HE1  PHE  12           HE2      PHE  12   3.696  -4.529  -4.529
   91    HE2  PHE  12           HE1      PHE  12   3.762  -7.714  -7.714
   92    HZ   PHE  12           HZ       PHE  12   3.580  -6.958  -6.958
   93    H    ASN  13           H        ASN  13   7.592  -4.575  -4.575
   94    HA   ASN  13           HA       ASN  13   8.268  -5.202  -5.202
   95   1HB   ASN  13          2HB       ASN  13  10.645  -5.563  -5.563
   96   2HB   ASN  13          1HB       ASN  13  10.119  -3.892  -3.892
   97   1HD2  ASN  13          1HD2      ASN  13   9.159  -2.731  -2.731
   98   2HD2  ASN  13          2HD2      ASN  13   9.750  -3.031  -3.031
   99    H    ALA  14           H        ALA  14   6.987  -7.117  -7.117
  100    HA   ALA  14           HA       ALA  14   7.387  -9.101  -9.101
  101   1HB   ALA  14          3HB       ALA  14   5.261  -8.876  -8.876
  102   2HB   ALA  14          2HB       ALA  14   6.158  -9.320  -9.320
  103   3HB   ALA  14          1HB       ALA  14   5.975 -10.504 -10.504
  104    H    ASP  15           H        ASP  15   9.698  -8.032  -8.032
  105    HA   ASP  15           HA       ASP  15  10.531 -10.667 -10.667
  106   1HB   ASP  15          2HB       ASP  15  11.158  -7.794  -7.794
  107   2HB   ASP  15          1HB       ASP  15  12.435  -8.999  -8.999
  108    H    LYS  16           H        LYS  16  12.095  -7.755  -7.755
  109    HA   LYS  16           HA       LYS  16  14.310  -9.237  -9.237
  110   1HB   LYS  16          2HB       LYS  16  14.218  -7.052  -7.052
  111   2HB   LYS  16          1HB       LYS  16  14.957  -7.103  -7.103
  112   1HG   LYS  16          2HG       LYS  16  12.004  -6.531  -6.531
  113   2HG   LYS  16          1HG       LYS  16  13.182  -5.238  -5.238
  114   1HD   LYS  16          2HD       LYS  16  13.857  -6.655  -6.655
  115   2HD   LYS  16          1HD       LYS  16  12.153  -6.161  -6.161
  116   1HE   LYS  16          2HE       LYS  16  13.897  -4.046  -4.046
  117   2HE   LYS  16          1HE       LYS  16  14.389  -4.558  -4.558
  118   1HZ   LYS  16          1HZ       LYS  16  11.667  -3.732  -3.732
  119   2HZ   LYS  16          3HZ       LYS  16  12.761  -2.811  -2.811
  120   3HZ   LYS  16          2HZ       LYS  16  12.123  -4.194  -4.194
  121    H    GLY  17           H        GLY  17  11.180  -8.318  -8.318
  122   1HA   GLY  17          1HA       GLY  17  10.239 -10.083 -10.083
  123   2HA   GLY  17          2HA       GLY  17  11.839 -10.174 -10.174
  124    H    PHE  18           H        PHE  18   9.686  -7.447  -7.447
  125    HA   PHE  18           HA       PHE  18   9.075  -6.564  -6.564
  126   1HB   PHE  18          2HB       PHE  18  11.441  -5.380  -5.380
  127   2HB   PHE  18          1HB       PHE  18  10.409  -4.349  -4.349
  128    HD1  PHE  18           HD1      PHE  18   9.855  -5.283  -5.283
  129    HD2  PHE  18           HD2      PHE  18  13.283  -6.405  -6.405
  130    HE1  PHE  18           HE1      PHE  18  11.069  -5.965  -5.965
  131    HE2  PHE  18           HE2      PHE  18  14.490  -7.084  -7.084
  132    HZ   PHE  18           HZ       PHE  18  13.386  -6.866  -6.866
  133    H    GLY  19           H        GLY  19   7.991  -4.358  -4.358
  134   1HA   GLY  19          1HA       GLY  19   7.226  -3.251  -3.251
  135   2HA   GLY  19          2HA       GLY  19   5.945  -4.295  -4.295
  136    H    PHE  20           H        PHE  20   7.322  -1.163  -1.163
  137    HA   PHE  20           HA       PHE  20   6.346  -0.423  -0.423
  138   1HB   PHE  20          2HB       PHE  20   8.258   0.588   0.588
  139   2HB   PHE  20          1HB       PHE  20   7.156   1.843   1.843
  140    HD1  PHE  20           HD1      PHE  20   6.657   1.540   1.540
  141    HD2  PHE  20           HD2      PHE  20  10.295   0.629   0.629
  142    HE1  PHE  20           HE1      PHE  20   7.972   1.847   1.847
  143    HE2  PHE  20           HE2      PHE  20  11.603   0.937   0.937
  144    HZ   PHE  20           HZ       PHE  20  10.445   1.545   1.545
  145    H    ILE  21           H        ILE  21   4.718   1.176   1.176
  146    HA   ILE  21           HA       ILE  21   3.069   1.755   1.755
  147    HB   ILE  21           HB       ILE  21   2.201   0.564   0.564
  148   1HG1  ILE  21          2HG1      ILE  21   1.752  -0.170  -0.170
  149   2HG1  ILE  21          1HG1      ILE  21   2.769  -1.023  -1.023
  150   1HG2  ILE  21          1HG2      ILE  21   0.419   1.983   1.983
  151   2HG2  ILE  21          3HG2      ILE  21  -0.163   0.962   0.962
  152   3HG2  ILE  21          2HG2      ILE  21   0.718   2.466   2.466
  153   1HD1  ILE  21          1HD1      ILE  21  -0.271  -0.701  -0.701
  154   2HD1  ILE  21          3HD1      ILE  21   0.603  -2.178  -2.178
  155   3HD1  ILE  21          2HD1      ILE  21   0.734  -1.571  -1.571
  156    H    THR  22           H        THR  22   1.534   3.634   3.634
  157    HA   THR  22           HA       THR  22   2.794   5.550   5.550
  158    HB   THR  22           HB       THR  22   2.084   5.791   5.791
  159    HG1  THR  22           HG1      THR  22   3.740   7.207   7.207
  160   1HG2  THR  22          2HG2      THR  22   1.287   7.776   7.776
  161   2HG2  THR  22          1HG2      THR  22   2.124   8.409   8.409
  162   3HG2  THR  22          3HG2      THR  22   0.578   7.558   7.558
  163    HA   PRO  23           HA       PRO  23  -1.294   5.305   5.305
  164   1HB   PRO  23          2HB       PRO  23  -0.609   6.802   6.802
  165   2HB   PRO  23          1HB       PRO  23  -0.379   5.048   5.048
  166   1HG   PRO  23          2HG       PRO  23   1.599   7.223   7.223
  167   2HG   PRO  23          1HG       PRO  23   1.829   5.484   5.484
  168   1HD   PRO  23          2HD       PRO  23   2.399   6.965   6.965
  169   2HD   PRO  23          1HD       PRO  23   2.521   5.213   5.213
  170    H    ASP  24           H        ASP  24  -2.281   7.438   7.438
  171    HA   ASP  24           HA       ASP  24  -2.287   9.723   9.723
  172   1HB   ASP  24          2HB       ASP  24  -4.605   8.194   8.194
  173   2HB   ASP  24          1HB       ASP  24  -4.770   9.905   9.905
  174    H    ASP  25           H        ASP  25  -1.772   8.528   8.528
  175    HA   ASP  25           HA       ASP  25  -2.938  10.259  10.259
  176   1HB   ASP  25          2HB       ASP  25   0.002   9.503   9.503
  177   2HB   ASP  25          1HB       ASP  25  -0.868  10.107  10.107
  178    H    GLY  26           H        GLY  26   0.487  10.946  10.946
  179   1HA   GLY  26          1HA       GLY  26  -0.153  13.631  13.631
  180   2HA   GLY  26          2HA       GLY  26   0.615  13.594  13.594
  181    H    SER  27           H        SER  27   0.985  11.678  11.678
  182    HA   SER  27           HA       SER  27   2.793  11.405  11.405
  183   1HB   SER  27          2HB       SER  27   4.632  13.143  13.143
  184   2HB   SER  27          1HB       SER  27   4.449  12.987  12.987
  185    HG   SER  27           HG       SER  27   3.334  14.782  14.782
  186    H    LYS  28           H        LYS  28   4.023   9.586   9.586
  187    HA   LYS  28           HA       LYS  28   6.058   8.986   8.986
  188   1HB   LYS  28          2HB       LYS  28   3.533   8.736   8.736
  189   2HB   LYS  28          1HB       LYS  28   4.333   7.154   7.154
  190   1HG   LYS  28          2HG       LYS  28   6.268   7.953   7.953
  191   2HG   LYS  28          1HG       LYS  28   5.844   9.650   9.650
  192   1HD   LYS  28          2HD       LYS  28   3.967   7.930   7.930
  193   2HD   LYS  28          1HD       LYS  28   5.454   8.520   8.520
  194   1HE   LYS  28          2HE       LYS  28   3.270  10.202  10.202
  195   2HE   LYS  28          1HE       LYS  28   3.616  10.090  10.090
  196   1HZ   LYS  28          1HZ       LYS  28   5.452  11.133  11.133
  197   2HZ   LYS  28          3HZ       LYS  28   4.569  12.048  12.048
  198   3HZ   LYS  28          2HZ       LYS  28   5.780  11.048  11.048
  199    H    ASP  29           H        ASP  29   5.999   6.235   6.235
  200    HA   ASP  29           HA       ASP  29   4.913   5.028   5.028
  201   1HB   ASP  29          2HB       ASP  29   7.133   4.139   4.139
  202   2HB   ASP  29          1HB       ASP  29   6.985   5.895   5.895
  203    H    VAL  30           H        VAL  30   3.977   3.229   3.229
  204    HA   VAL  30           HA       VAL  30   5.221   1.959   1.959
  205    HB   VAL  30           HB       VAL  30   3.205   0.879   0.879
  206   1HG1  VAL  30          1HG1      VAL  30   2.586   3.666   3.666
  207   2HG1  VAL  30          3HG1      VAL  30   1.526   2.719   2.719
  208   3HG1  VAL  30          2HG1      VAL  30   3.119   3.262   3.262
  209   1HG2  VAL  30          1HG2      VAL  30   2.749   0.063   0.063
  210   2HG2  VAL  30          3HG2      VAL  30   1.308   0.884   0.884
  211   3HG2  VAL  30          2HG2      VAL  30   2.335   1.705   1.705
  212    H    PHE  31           H        PHE  31   6.380   0.091   0.091
  213    HA   PHE  31           HA       PHE  31   6.973  -1.081  -1.081
  214   1HB   PHE  31          2HB       PHE  31   8.173  -0.928  -0.928
  215   2HB   PHE  31          1HB       PHE  31   7.929  -2.625  -2.625
  216    HD1  PHE  31           HD2      PHE  31   8.212  -2.374  -2.374
  217    HD2  PHE  31           HD1      PHE  31  10.597  -0.897  -0.897
  218    HE1  PHE  31           HE2      PHE  31  10.229  -2.378  -2.378
  219    HE2  PHE  31           HE1      PHE  31  12.608  -0.904  -0.904
  220    HZ   PHE  31           HZ       PHE  31  12.428  -1.645  -1.645
  221    H    VAL  32           H        VAL  32   6.401  -3.135  -3.135
  222    HA   VAL  32           HA       VAL  32   4.758  -4.845  -4.845
  223    HB   VAL  32           HB       VAL  32   2.785  -4.475  -4.475
  224   1HG1  VAL  32          1HG1      VAL  32   4.125  -2.067  -2.067
  225   2HG1  VAL  32          3HG1      VAL  32   2.369  -2.260  -2.260
  226   3HG1  VAL  32          2HG1      VAL  32   3.461  -2.143  -2.143
  227   1HG2  VAL  32          1HG2      VAL  32   3.306  -5.700  -5.700
  228   2HG2  VAL  32          3HG2      VAL  32   2.267  -4.295  -4.295
  229   3HG2  VAL  32          2HG2      VAL  32   4.005  -4.236  -4.236
  230    H    HIS  33           H        HIS  33   4.279  -6.973  -6.973
  231    HA   HIS  33           HA       HIS  33   6.423  -7.494  -7.494
  232   1HB   HIS  33          2HB       HIS  33   5.940  -8.673  -8.673
  233   2HB   HIS  33          1HB       HIS  33   5.621  -9.901  -9.901
  234    HD1  HIS  33           HD1      HIS  33   7.743 -10.823 -10.823
  235    HD2  HIS  33           HD2      HIS  33   8.742  -7.781  -7.781
  236    HE1  HIS  33           HE1      HIS  33  10.114 -10.772 -10.772
  237    H    PHE  34           H        PHE  34   5.898  -8.622  -8.622
  238    HA   PHE  34           HA       PHE  34   3.178  -8.565  -8.565
  239   1HB   PHE  34          2HB       PHE  34   4.015  -9.516  -9.516
  240   2HB   PHE  34          1HB       PHE  34   5.344  -8.548  -8.548
  241    HD1  PHE  34           HD1      PHE  34   7.068  -9.862  -9.862
  242    HD2  PHE  34           HD2      PHE  34   4.501 -11.708 -11.708
  243    HE1  PHE  34           HE1      PHE  34   8.584 -11.829 -11.829
  244    HE2  PHE  34           HE2      PHE  34   6.021 -13.672 -13.672
  245    HZ   PHE  34           HZ       PHE  34   8.062 -13.737 -13.737
  246    H    SER  35           H        SER  35   2.859 -11.090 -11.090
  247    HA   SER  35           HA       SER  35   1.742 -13.020 -13.020
  248   1HB   SER  35          2HB       SER  35   4.261 -13.485 -13.485
  249   2HB   SER  35          1HB       SER  35   3.612 -13.597 -13.597
  250    HG   SER  35           HG       SER  35   3.442 -15.373 -15.373
  251    H    ALA  36           H        ALA  36   1.225 -10.480 -10.480
  252    HA   ALA  36           HA       ALA  36  -0.405 -11.877 -11.877
  253   1HB   ALA  36          3HB       ALA  36   1.529 -10.570 -10.570
  254   2HB   ALA  36          2HB       ALA  36   0.958  -9.126  -9.126
  255   3HB   ALA  36          1HB       ALA  36  -0.043  -9.837  -9.837
  256    H    ILE  37           H        ILE  37  -0.619 -10.539 -10.539
  257    HA   ILE  37           HA       ILE  37  -2.552  -8.451  -8.451
  258    HB   ILE  37           HB       ILE  37  -1.150  -8.223  -8.223
  259   1HG1  ILE  37          2HG1      ILE  37  -3.797  -8.943  -8.943
  260   2HG1  ILE  37          1HG1      ILE  37  -3.654  -7.588  -7.588
  261   1HG2  ILE  37          1HG2      ILE  37  -2.227 -10.875 -10.875
  262   2HG2  ILE  37          3HG2      ILE  37  -1.162  -9.769  -9.769
  263   3HG2  ILE  37          2HG2      ILE  37  -0.579 -10.545 -10.545
  264   1HD1  ILE  37          1HD1      ILE  37  -2.047  -7.935  -7.935
  265   2HD1  ILE  37          3HD1      ILE  37  -3.425  -6.826  -6.826
  266   3HD1  ILE  37          2HD1      ILE  37  -1.909  -6.567  -6.567
  267    H    GLN  38           H        GLN  38  -4.712  -8.735  -8.735
  268    HA   GLN  38           HA       GLN  38  -6.034 -11.060 -11.060
  269   1HB   GLN  38          2HB       GLN  38  -7.366  -8.891  -8.891
  270   2HB   GLN  38          1HB       GLN  38  -8.103  -9.974  -9.974
  271   1HG   GLN  38          2HG       GLN  38  -6.421  -7.511  -7.511
  272   2HG   GLN  38          1HG       GLN  38  -7.888  -8.025  -8.025
  273   1HE2  GLN  38          1HE2      GLN  38  -4.645  -7.553  -7.553
  274   2HE2  GLN  38          2HE2      GLN  38  -4.234  -8.653  -8.653
  275    H    ASN  39           H        ASN  39  -4.099 -11.474 -11.474
  276    HA   ASN  39           HA       ASN  39  -3.900 -12.669 -12.669
  277   1HB   ASN  39          2HB       ASN  39  -5.957 -13.900 -13.900
  278   2HB   ASN  39          1HB       ASN  39  -6.738 -13.523 -13.523
  279   1HD2  ASN  39          1HD2      ASN  39  -4.517 -15.476 -15.476
  280   2HD2  ASN  39          2HD2      ASN  39  -3.966 -16.511 -16.511
  281    H    ASP  40           H        ASP  40  -4.921 -12.983 -12.983
  282    HA   ASP  40           HA       ASP  40  -6.956 -11.261 -11.261
  283   1HB   ASP  40          2HB       ASP  40  -5.325  -9.489  -9.489
  284   2HB   ASP  40          1HB       ASP  40  -4.137 -10.213 -10.213
  285    H    GLY  41           H        GLY  41  -5.958 -13.955 -13.955
  286   1HA   GLY  41          1HA       GLY  41  -5.790 -15.442 -15.442
  287   2HA   GLY  41          2HA       GLY  41  -5.933 -14.082 -14.082
  288    H    TYR  42           H        TYR  42  -3.773 -12.461 -12.461
  289    HA   TYR  42           HA       TYR  42  -1.478 -14.359 -14.359
  290   1HB   TYR  42          1HB       TYR  42  -2.299 -12.076 -12.076
  291   2HB   TYR  42          2HB       TYR  42  -0.581 -12.321 -12.321
  292    HD1  TYR  42           HD1      TYR  42  -3.652 -14.263 -14.263
  293    HD2  TYR  42           HD2      TYR  42   0.641 -13.818 -13.818
  294    HE1  TYR  42           HE1      TYR  42  -3.576 -16.034 -16.034
  295    HE2  TYR  42           HE2      TYR  42   0.714 -15.590 -15.590
  296    HH   TYR  42           HH       TYR  42  -1.981 -17.639 -17.639
  297    H    LYS  43           H        LYS  43  -0.052 -14.094 -14.094
  298    HA   LYS  43           HA       LYS  43  -0.290 -12.017 -12.017
  299   1HB   LYS  43          2HB       LYS  43   1.666 -14.178 -14.178
  300   2HB   LYS  43          1HB       LYS  43   2.234 -12.837 -12.837
  301   1HG   LYS  43          2HG       LYS  43   1.212 -14.735 -14.735
  302   2HG   LYS  43          1HG       LYS  43   0.396 -13.179 -13.179
  303   1HD   LYS  43          2HD       LYS  43  -1.523 -13.865 -13.865
  304   2HD   LYS  43          1HD       LYS  43  -0.635 -14.891 -14.891
  305   1HE   LYS  43          2HE       LYS  43  -0.860 -15.601 -15.601
  306   2HE   LYS  43          1HE       LYS  43  -2.127 -16.052 -16.052
  307   1HZ   LYS  43          1HZ       LYS  43   0.734 -16.770 -16.770
  308   2HZ   LYS  43          3HZ       LYS  43  -0.505 -17.783 -17.783
  309   3HZ   LYS  43          2HZ       LYS  43  -0.449 -17.211 -17.211
  310    H    SER  44           H        SER  44  -0.320  -9.945  -9.945
  311    HA   SER  44           HA       SER  44   2.244  -8.780  -8.780
  312   1HB   SER  44          2HB       SER  44   0.394  -9.377  -9.377
  313   2HB   SER  44          1HB       SER  44   1.312  -7.858  -7.858
  314    HG   SER  44           HG       SER  44   3.219  -9.053  -9.053
  315    H    LEU  45           H        LEU  45   2.043  -6.378  -6.378
  316    HA   LEU  45           HA       LEU  45  -0.624  -5.354  -5.354
  317   1HB   LEU  45          2HB       LEU  45   1.301  -5.725  -5.725
  318   2HB   LEU  45          1HB       LEU  45   1.555  -4.031  -4.031
  319    HG   LEU  45           HG       LEU  45  -0.820  -3.595  -3.595
  320   1HD1  LEU  45          1HD1      LEU  45  -0.866  -6.444  -6.444
  321   2HD1  LEU  45          3HD1      LEU  45  -2.161  -5.238  -5.238
  322   3HD1  LEU  45          2HD1      LEU  45  -1.764  -5.817  -5.817
  323   1HD2  LEU  45          1HD2      LEU  45   0.839  -3.090  -3.090
  324   2HD2  LEU  45          3HD2      LEU  45  -0.674  -3.663  -3.663
  325   3HD2  LEU  45          2HD2      LEU  45   0.726  -4.745  -4.745
  326    H    ASP  46           H        ASP  46  -0.739  -2.906  -2.906
  327    HA   ASP  46           HA       ASP  46   0.973  -2.166  -2.166
  328   1HB   ASP  46          2HB       ASP  46  -1.689  -2.257  -2.257
  329   2HB   ASP  46          1HB       ASP  46  -1.493  -0.677  -0.677
  330    H    GLU  47           H        GLU  47   2.728  -1.071  -1.071
  331    HA   GLU  47           HA       GLU  47   2.816   0.384   0.384
  332   1HB   GLU  47          2HB       GLU  47   4.905  -0.063  -0.063
  333   2HB   GLU  47          1HB       GLU  47   4.412   0.500   0.500
  334   1HG   GLU  47          2HG       GLU  47   4.293   2.553   2.553
  335   2HG   GLU  47          1HG       GLU  47   5.925   1.952   1.952
  336    H    GLY  48           H        GLY  48   1.299   1.891   1.891
  337   1HA   GLY  48          1HA       GLY  48   0.897   4.322   4.322
  338   2HA   GLY  48          2HA       GLY  48   0.868   4.121   4.121
  339    H    GLN  49           H        GLN  49  -0.613   2.269   2.269
  340    HA   GLN  49           HA       GLN  49  -3.269   2.955   2.955
  341   1HB   GLN  49          2HB       GLN  49  -4.052   0.704   0.704
  342   2HB   GLN  49          1HB       GLN  49  -2.506   0.689   0.689
  343   1HG   GLN  49          2HG       GLN  49  -1.739  -0.862  -0.862
  344   2HG   GLN  49          1HG       GLN  49  -1.921   0.309   0.309
  345   1HE2  GLN  49          1HE2      GLN  49  -2.281  -2.622  -2.622
  346   2HE2  GLN  49          2HE2      GLN  49  -3.926  -2.951  -2.951
  347    H    LYS  50           H        LYS  50  -5.027   2.731   2.731
  348    HA   LYS  50           HA       LYS  50  -4.029   3.316   3.316
  349   1HB   LYS  50          2HB       LYS  50  -5.867   4.589   4.589
  350   2HB   LYS  50          1HB       LYS  50  -6.925   3.219   3.219
  351   1HG   LYS  50          2HG       LYS  50  -7.198   3.983   3.983
  352   2HG   LYS  50          1HG       LYS  50  -5.442   4.026   4.026
  353   1HD   LYS  50          2HD       LYS  50  -6.020   6.274   6.274
  354   2HD   LYS  50          1HD       LYS  50  -5.582   6.238   6.238
  355   1HE   LYS  50          2HE       LYS  50  -8.418   5.969   5.969
  356   2HE   LYS  50          1HE       LYS  50  -7.724   7.468   7.468
  357   1HZ   LYS  50          1HZ       LYS  50  -8.055   4.934   4.934
  358   2HZ   LYS  50          3HZ       LYS  50  -9.012   6.293   6.293
  359   3HZ   LYS  50          2HZ       LYS  50  -7.420   6.337   6.337
  360    H    VAL  51           H        VAL  51  -3.927   1.907   1.907
  361    HA   VAL  51           HA       VAL  51  -5.588  -0.541  -0.541
  362    HB   VAL  51           HB       VAL  51  -3.742  -1.921  -1.921
  363   1HG1  VAL  51          1HG1      VAL  51  -3.160  -0.283  -0.283
  364   2HG1  VAL  51          3HG1      VAL  51  -2.458  -1.881  -1.881
  365   3HG1  VAL  51          2HG1      VAL  51  -4.205  -1.712  -1.712
  366   1HG2  VAL  51          1HG2      VAL  51  -2.363  -0.284  -0.284
  367   2HG2  VAL  51          3HG2      VAL  51  -1.400  -1.075  -1.075
  368   3HG2  VAL  51          2HG2      VAL  51  -2.013   0.574   0.574
  369    H    SER  52           H        SER  52  -4.495  -1.748  -1.748
  370    HA   SER  52           HA       SER  52  -4.831   0.332   0.332
  371   1HB   SER  52          2HB       SER  52  -6.355  -2.231  -2.231
  372   2HB   SER  52          1HB       SER  52  -6.647  -0.635  -0.635
  373    HG   SER  52           HG       SER  52  -7.161  -0.028  -0.028
  374    H    PHE  53           H        PHE  53  -4.765  -1.118  -1.118
  375    HA   PHE  53           HA       PHE  53  -2.947  -3.390  -3.390
  376   1HB   PHE  53          2HB       PHE  53  -0.991  -2.268  -2.268
  377   2HB   PHE  53          1HB       PHE  53  -1.320  -1.743  -1.743
  378    HD1  PHE  53           HD1      PHE  53  -1.343  -0.681  -0.681
  379    HD2  PHE  53           HD2      PHE  53  -2.020   0.540   0.540
  380    HE1  PHE  53           HE1      PHE  53  -1.331   1.700   1.700
  381    HE2  PHE  53           HE2      PHE  53  -2.007   2.921   2.921
  382    HZ   PHE  53           HZ       PHE  53  -1.663   3.505   3.505
  383    H    THR  54           H        THR  54  -2.304  -3.991  -3.991
  384    HA   THR  54           HA       THR  54  -4.265  -2.879  -2.879
  385    HB   THR  54           HB       THR  54  -4.864  -5.199  -5.199
  386    HG1  THR  54           HG1      THR  54  -3.240  -5.316  -5.316
  387   1HG2  THR  54          2HG2      THR  54  -1.859  -5.543  -5.543
  388   2HG2  THR  54          1HG2      THR  54  -2.884  -6.843  -6.843
  389   3HG2  THR  54          3HG2      THR  54  -2.993  -6.404  -6.404
  390    H    ILE  55           H        ILE  55  -2.222  -1.262  -1.262
  391    HA   ILE  55           HA       ILE  55   0.223  -1.637  -1.637
  392    HB   ILE  55           HB       ILE  55  -0.480   0.509   0.509
  393   1HG1  ILE  55          2HG1      ILE  55  -0.375   0.887   0.887
  394   2HG1  ILE  55          1HG1      ILE  55   0.844  -0.262  -0.262
  395   1HG2  ILE  55          1HG2      ILE  55  -2.575   0.028   0.028
  396   2HG2  ILE  55          3HG2      ILE  55  -2.245   1.600   1.600
  397   3HG2  ILE  55          2HG2      ILE  55  -2.864   0.240   0.240
  398   1HD1  ILE  55          1HD1      ILE  55   0.388   2.568   2.568
  399   2HD1  ILE  55          3HD1      ILE  55   1.716   2.054   2.054
  400   3HD1  ILE  55          2HD1      ILE  55   1.621   1.433   1.433
  401    H    GLU  56           H        GLU  56   1.372  -2.535  -2.535
  402    HA   GLU  56           HA       GLU  56  -0.216  -3.388  -3.388
  403   1HB   GLU  56          2HB       GLU  56   1.611  -4.990  -4.990
  404   2HB   GLU  56          1HB       GLU  56   1.625  -5.326  -5.326
  405   1HG   GLU  56          2HG       GLU  56  -0.811  -5.347  -5.347
  406   2HG   GLU  56          1HG       GLU  56   0.002  -6.775  -6.775
  407    H    SER  57           H        SER  57   0.529  -2.477  -2.477
  408    HA   SER  57           HA       SER  57   3.253  -1.345  -1.345
  409   1HB   SER  57          2HB       SER  57   2.585   0.117   0.117
  410   2HB   SER  57          1HB       SER  57   1.056  -0.132  -0.132
  411    HG   SER  57           HG       SER  57   1.836  -0.952  -0.952
  412    H    GLY  58           H        GLY  58   4.944  -2.258  -2.258
  413   1HA   GLY  58          1HA       GLY  58   4.631  -3.784  -3.784
  414   2HA   GLY  58          2HA       GLY  58   4.886  -4.852  -4.852
  415    H    ALA  59           H        ALA  59   6.485  -2.829  -2.829
  416    HA   ALA  59           HA       ALA  59   9.002  -2.889  -2.889
  417   1HB   ALA  59          3HB       ALA  59   9.001  -4.428  -4.428
  418   2HB   ALA  59          2HB       ALA  59   8.612  -3.046  -3.046
  419   3HB   ALA  59          1HB       ALA  59  10.169  -3.092  -3.092
  420    H    LYS  60           H        LYS  60  10.412  -1.430  -1.430
  421    HA   LYS  60           HA       LYS  60   9.158   1.221   1.221
  422   1HB   LYS  60          2HB       LYS  60  11.123   1.312   1.312
  423   2HB   LYS  60          1HB       LYS  60  12.021   0.326   0.326
  424   1HG   LYS  60          2HG       LYS  60  12.523   2.137   2.137
  425   2HG   LYS  60          1HG       LYS  60  10.941   2.894   2.894
  426   1HD   LYS  60          2HD       LYS  60  12.815   4.212   4.212
  427   2HD   LYS  60          1HD       LYS  60  11.658   3.663   3.663
  428   1HE   LYS  60          2HE       LYS  60  14.262   3.397   3.397
  429   2HE   LYS  60          1HE       LYS  60  13.153   2.101   2.101
  430   1HZ   LYS  60          1HZ       LYS  60  14.654   2.228   2.228
  431   2HZ   LYS  60          3HZ       LYS  60  15.028   1.268   1.268
  432   3HZ   LYS  60          2HZ       LYS  60  13.632   1.001   1.001
  433    H    GLY  61           H        GLY  61   7.844   0.992   0.992
  434   1HA   GLY  61          1HA       GLY  61   8.561   2.261   2.261
  435   2HA   GLY  61          2HA       GLY  61   9.212   0.641   0.641
  436    HA   PRO  62           HA       PRO  62   4.422   0.824   0.824
  437   1HB   PRO  62          2HB       PRO  62   3.839   2.536   2.536
  438   2HB   PRO  62          1HB       PRO  62   3.740   3.018   3.018
  439   1HG   PRO  62          2HG       PRO  62   5.739   3.711   3.711
  440   2HG   PRO  62          1HG       PRO  62   5.383   4.491   4.491
  441   1HD   PRO  62          2HD       PRO  62   7.595   2.782   2.782
  442   2HD   PRO  62          1HD       PRO  62   7.166   3.485   3.485
  443    H    ALA  63           H        ALA  63   3.951  -1.102  -1.102
  444    HA   ALA  63           HA       ALA  63   4.054  -1.586  -1.586
  445   1HB   ALA  63          3HB       ALA  63   6.454  -1.998  -1.998
  446   2HB   ALA  63          2HB       ALA  63   5.895  -3.153  -3.153
  447   3HB   ALA  63          1HB       ALA  63   5.632  -3.506  -3.506
  448    H    ALA  64           H        ALA  64   3.010  -3.598  -3.598
  449    HA   ALA  64           HA       ALA  64   2.097  -5.497  -5.497
  450   1HB   ALA  64          3HB       ALA  64   0.637  -3.539  -3.539
  451   2HB   ALA  64          2HB       ALA  64   0.062  -3.441  -3.441
  452   3HB   ALA  64          1HB       ALA  64  -0.315  -4.875  -4.875
  453    H    GLY  65           H        GLY  65  -0.432  -6.070  -6.070
  454   1HA   GLY  65          1HA       GLY  65   0.461  -6.681  -6.681
  455   2HA   GLY  65          2HA       GLY  65  -0.284  -7.911  -7.911
  456    H    ASN  66           H        ASN  66  -2.200  -8.242  -8.242
  457    HA   ASN  66           HA       ASN  66  -4.310  -7.804  -7.804
  458   1HB   ASN  66          2HB       ASN  66  -4.011  -5.672  -5.672
  459   2HB   ASN  66          1HB       ASN  66  -5.481  -5.773  -5.773
  460   1HD2  ASN  66          1HD2      ASN  66  -5.724  -8.481  -8.481
  461   2HD2  ASN  66          2HD2      ASN  66  -6.066  -9.281  -9.281
  462    H    VAL  67           H        VAL  67  -2.531  -7.055  -7.055
  463    HA   VAL  67           HA       VAL  67  -2.981  -4.221  -4.221
  464    HB   VAL  67           HB       VAL  67  -1.549  -5.465  -5.465
  465   1HG1  VAL  67          1HG1      VAL  67  -0.585  -3.843  -3.843
  466   2HG1  VAL  67          3HG1      VAL  67   0.356  -4.145  -4.145
  467   3HG1  VAL  67          2HG1      VAL  67  -1.144  -3.199  -3.199
  468   1HG2  VAL  67          1HG2      VAL  67  -1.232  -7.453  -7.453
  469   2HG2  VAL  67          3HG2      VAL  67   0.313  -6.578  -6.578
  470   3HG2  VAL  67          2HG2      VAL  67  -0.615  -6.447  -6.447
  471    H    THR  68           H        THR  68  -5.064  -3.944  -3.944
  472    HA   THR  68           HA       THR  68  -5.874  -5.686  -5.686
  473    HB   THR  68           HB       THR  68  -7.333  -6.191  -6.191
  474    HG1  THR  68           HG1      THR  68  -9.236  -5.018  -5.018
  475   1HG2  THR  68          2HG2      THR  68  -7.342  -3.164  -3.164
  476   2HG2  THR  68          1HG2      THR  68  -8.865  -4.013  -4.013
  477   3HG2  THR  68          3HG2      THR  68  -7.431  -4.355  -4.355
  478    H    SER  69           H        SER  69  -7.002  -4.640  -4.640
  479    HA   SER  69           HA       SER  69  -6.143  -1.855  -1.855
  480   1HB   SER  69          2HB       SER  69  -7.032  -2.133  -2.133
  481   2HB   SER  69          1HB       SER  69  -5.772  -3.303  -3.303
  482    HG   SER  69           HG       SER  69  -7.191  -4.874  -4.874
  483    H    LEU  70           H        LEU  70  -7.449  -0.077  -0.077
  484    HA   LEU  70           HA       LEU  70 -10.254  -0.619  -0.619
  485   1HB   LEU  70          2HB       LEU  70  -8.331   1.582   1.582
  486   2HB   LEU  70          1HB       LEU  70 -10.063   1.966   1.966
  487    HG   LEU  70           HG       LEU  70  -8.804  -0.153  -0.153
  488   1HD1  LEU  70          1HD1      LEU  70  -9.492   2.715   2.715
  489   2HD1  LEU  70          3HD1      LEU  70  -9.024   1.432   1.432
  490   3HD1  LEU  70          2HD1      LEU  70  -7.874   1.993   1.993
  491   1HD2  LEU  70          1HD2      LEU  70 -11.199  -0.501  -0.501
  492   2HD2  LEU  70          3HD2      LEU  70 -10.932  -0.010  -0.010
  493   3HD2  LEU  70          2HD2      LEU  70 -11.556   1.159   1.159

  Start of MODEL    6
    1    H    SER   2           H        SER   2 -11.339  -8.735  -8.735
    2    HA   SER   2           HA       SER   2 -13.188  -6.525  -6.525
    3   1HB   SER   2          2HB       SER   2 -11.729  -7.584  -7.584
    4   2HB   SER   2          1HB       SER   2 -10.328  -6.864  -6.864
    5    HG   SER   2           HG       SER   2 -12.168  -4.956  -4.956
    6    H    GLY   3           H        GLY   3 -12.453  -4.226  -4.226
    7   1HA   GLY   3          1HA       GLY   3 -10.837  -3.921  -3.921
    8   2HA   GLY   3          2HA       GLY   3 -12.131  -2.827  -2.827
    9    H    LYS   4           H        LYS   4  -9.083  -2.527  -2.527
   10    HA   LYS   4           HA       LYS   4  -8.356  -1.423  -1.423
   11   1HB   LYS   4          2HB       LYS   4  -6.373  -1.927  -1.927
   12   2HB   LYS   4          1HB       LYS   4  -6.101  -1.800  -1.800
   13   1HG   LYS   4          2HG       LYS   4  -7.591  -4.039  -4.039
   14   2HG   LYS   4          1HG       LYS   4  -5.951  -4.147  -4.147
   15   1HD   LYS   4          2HD       LYS   4  -8.597  -3.878  -3.878
   16   2HD   LYS   4          1HD       LYS   4  -7.361  -5.137  -5.137
   17   1HE   LYS   4          2HE       LYS   4  -5.861  -3.013  -3.013
   18   2HE   LYS   4          1HE       LYS   4  -7.451  -2.341  -2.341
   19   1HZ   LYS   4          1HZ       LYS   4  -6.346  -4.904  -4.904
   20   2HZ   LYS   4          3HZ       LYS   4  -6.445  -3.482  -3.482
   21   3HZ   LYS   4          2HZ       LYS   4  -7.828  -4.276  -4.276
   22    H    MET   5           H        MET   5  -6.179   0.220   0.220
   23    HA   MET   5           HA       MET   5  -7.876   2.493   2.493
   24   1HB   MET   5          2HB       MET   5  -5.775   3.784   3.784
   25   2HB   MET   5          1HB       MET   5  -6.123   2.838   2.838
   26   1HG   MET   5          2HG       MET   5  -4.525   1.325   1.325
   27   2HG   MET   5          1HG       MET   5  -3.728   2.840   2.840
   28   1HE   MET   5          1HE       MET   5  -4.116   3.560   3.560
   29   2HE   MET   5          3HE       MET   5  -3.007   2.499   2.499
   30   3HE   MET   5          2HE       MET   5  -2.498   3.208   3.208
   31    H    THR   6           H        THR   6  -7.525   3.728   3.728
   32    HA   THR   6           HA       THR   6  -6.829   2.050   2.050
   33    HB   THR   6           HB       THR   6  -7.706   3.972   3.972
   34    HG1  THR   6           HG1      THR   6  -7.584   5.289   5.289
   35   1HG2  THR   6          2HG2      THR   6  -9.097   3.234   3.234
   36   2HG2  THR   6          1HG2      THR   6  -9.690   4.659   4.659
   37   3HG2  THR   6          3HG2      THR   6  -9.708   3.074   3.074
   38    H    GLY   7           H        GLY   7  -5.367   3.041   3.041
   39   1HA   GLY   7          1HA       GLY   7  -3.369   4.907   4.907
   40   2HA   GLY   7          2HA       GLY   7  -2.734   3.453   3.453
   41    H    ILE   8           H        ILE   8  -2.316   5.074   5.074
   42    HA   ILE   8           HA       ILE   8  -2.620   2.770   2.770
   43    HB   ILE   8           HB       ILE   8  -2.799   4.156   4.156
   44   1HG1  ILE   8          2HG1      ILE   8  -1.015   6.200   6.200
   45   2HG1  ILE   8          1HG1      ILE   8  -0.495   5.019   5.019
   46   1HG2  ILE   8          1HG2      ILE   8  -3.465   6.040   6.040
   47   2HG2  ILE   8          3HG2      ILE   8  -3.982   6.263   6.263
   48   3HG2  ILE   8          2HG2      ILE   8  -4.552   4.863   4.863
   49   1HD1  ILE   8          1HD1      ILE   8  -2.556   7.242   7.242
   50   2HD1  ILE   8          3HD1      ILE   8  -0.868   7.251   7.251
   51   3HD1  ILE   8          2HD1      ILE   8  -2.029   6.078   6.078
   52    H    VAL   9           H        VAL   9  -0.844   1.840   1.840
   53    HA   VAL   9           HA       VAL   9   1.684   2.158   2.158
   54    HB   VAL   9           HB       VAL   9   1.017  -0.025  -0.025
   55   1HG1  VAL   9          1HG1      VAL   9   0.695   0.684   0.684
   56   2HG1  VAL   9          3HG1      VAL   9   0.535  -0.954  -0.954
   57   3HG1  VAL   9          2HG1      VAL   9  -0.608   0.323   0.323
   58   1HG2  VAL   9          1HG2      VAL   9   3.425   0.332   0.332
   59   2HG2  VAL   9          3HG2      VAL   9   2.841  -0.960  -0.960
   60   3HG2  VAL   9          2HG2      VAL   9   3.164   0.663   0.663
   61    H    LYS  10           H        LYS  10   3.632   2.947   2.947
   62    HA   LYS  10           HA       LYS  10   3.288   4.407   4.407
   63   1HB   LYS  10          2HB       LYS  10   4.236   5.249   5.249
   64   2HB   LYS  10          1HB       LYS  10   5.517   5.462   5.462
   65   1HG   LYS  10          2HG       LYS  10   3.381   6.404   6.404
   66   2HG   LYS  10          1HG       LYS  10   2.853   6.793   6.793
   67   1HD   LYS  10          2HD       LYS  10   5.562   7.557   7.557
   68   2HD   LYS  10          1HD       LYS  10   4.153   8.634   8.634
   69   1HE   LYS  10          2HE       LYS  10   4.654   7.473   7.473
   70   2HE   LYS  10          1HE       LYS  10   6.097   8.306   8.306
   71   1HZ   LYS  10          1HZ       LYS  10   3.376   9.450   9.450
   72   2HZ   LYS  10          3HZ       LYS  10   4.647   9.778   9.778
   73   3HZ   LYS  10          2HZ       LYS  10   4.724  10.243  10.243
   74    H    TRP  11           H        TRP  11   5.310   2.192   2.192
   75    HA   TRP  11           HA       TRP  11   6.705   1.479   1.479
   76   1HB   TRP  11          2HB       TRP  11   8.351   1.606   1.606
   77   2HB   TRP  11          1HB       TRP  11   8.822   1.770   1.770
   78    HD1  TRP  11           HD1      TRP  11   7.524   3.940   3.940
   79    HE1  TRP  11           HE1      TRP  11   7.716   6.318   6.318
   80    HE3  TRP  11           HE3      TRP  11   8.866   3.423   3.423
   81    HZ2  TRP  11           HZ2      TRP  11   8.411   7.986   7.986
   82    HZ3  TRP  11           HZ3      TRP  11   9.265   5.530   5.530
   83    HH2  TRP  11           HH2      TRP  11   9.058   7.712   7.712
   84    H    PHE  12           H        PHE  12   6.938  -0.716  -0.716
   85    HA   PHE  12           HA       PHE  12   6.524  -2.483  -2.483
   86   1HB   PHE  12          2HB       PHE  12   4.507  -3.081  -3.081
   87   2HB   PHE  12          1HB       PHE  12   4.603  -1.966  -1.966
   88    HD1  PHE  12           HD1      PHE  12   5.273  -5.499  -5.499
   89    HD2  PHE  12           HD2      PHE  12   5.017  -2.696  -2.696
   90    HE1  PHE  12           HE1      PHE  12   5.326  -7.384  -7.384
   91    HE2  PHE  12           HE2      PHE  12   5.069  -4.588  -4.588
   92    HZ   PHE  12           HZ       PHE  12   5.222  -6.933  -6.933
   93    H    ASN  13           H        ASN  13   8.278  -3.777  -3.777
   94    HA   ASN  13           HA       ASN  13   9.332  -4.906  -4.906
   95   1HB   ASN  13          2HB       ASN  13  10.877  -3.465  -3.465
   96   2HB   ASN  13          1HB       ASN  13  11.653  -4.700  -4.700
   97   1HD2  ASN  13          1HD2      ASN  13  10.541  -4.327  -4.327
   98   2HD2  ASN  13          2HD2      ASN  13  10.939  -2.735  -2.735
   99    H    ALA  14           H        ALA  14   7.614  -6.399  -6.399
  100    HA   ALA  14           HA       ALA  14   8.744  -7.863  -7.863
  101   1HB   ALA  14          3HB       ALA  14   6.278  -7.703  -7.703
  102   2HB   ALA  14          2HB       ALA  14   6.555  -8.611  -8.611
  103   3HB   ALA  14          1HB       ALA  14   6.835  -9.398  -9.398
  104    H    ASP  15           H        ASP  15  10.920  -8.078  -8.078
  105    HA   ASP  15           HA       ASP  15  11.116 -10.833 -10.833
  106   1HB   ASP  15          2HB       ASP  15  12.135 -10.209 -10.209
  107   2HB   ASP  15          1HB       ASP  15  10.365 -10.218 -10.218
  108    H    LYS  16           H        LYS  16  12.400  -7.541  -7.541
  109    HA   LYS  16           HA       LYS  16  15.131  -8.660  -8.660
  110   1HB   LYS  16          2HB       LYS  16  15.743  -6.148  -6.148
  111   2HB   LYS  16          1HB       LYS  16  15.182  -6.877  -6.877
  112   1HG   LYS  16          2HG       LYS  16  13.375  -5.513  -5.513
  113   2HG   LYS  16          1HG       LYS  16  12.943  -5.910  -5.910
  114   1HD   LYS  16          2HD       LYS  16  13.424  -3.681  -3.681
  115   2HD   LYS  16          1HD       LYS  16  15.078  -4.309  -4.309
  116   1HE   LYS  16          2HE       LYS  16  15.565  -3.763  -3.763
  117   2HE   LYS  16          1HE       LYS  16  13.861  -3.386  -3.386
  118   1HZ   LYS  16          1HZ       LYS  16  15.635  -1.921  -1.921
  119   2HZ   LYS  16          3HZ       LYS  16  15.173  -1.416  -1.416
  120   3HZ   LYS  16          2HZ       LYS  16  14.046  -1.551  -1.551
  121    H    GLY  17           H        GLY  17  13.061  -6.249  -6.249
  122   1HA   GLY  17          1HA       GLY  17  13.868  -7.470  -7.470
  123   2HA   GLY  17          2HA       GLY  17  14.370  -5.789  -5.789
  124    H    PHE  18           H        PHE  18  11.404  -7.170  -7.170
  125    HA   PHE  18           HA       PHE  18   9.139  -6.916  -6.916
  126   1HB   PHE  18          2HB       PHE  18   9.902  -5.121  -5.121
  127   2HB   PHE  18          1HB       PHE  18   8.545  -6.225  -6.225
  128    HD1  PHE  18           HD1      PHE  18  10.267  -8.673  -8.673
  129    HD2  PHE  18           HD2      PHE  18  10.611  -5.927  -5.927
  130    HE1  PHE  18           HE1      PHE  18  11.473 -10.404 -10.404
  131    HE2  PHE  18           HE2      PHE  18  11.816  -7.665  -7.665
  132    HZ   PHE  18           HZ       PHE  18  12.250  -9.903  -9.903
  133    H    GLY  19           H        GLY  19   7.843  -4.602  -4.602
  134   1HA   GLY  19          1HA       GLY  19   8.892  -2.424  -2.424
  135   2HA   GLY  19          2HA       GLY  19   7.236  -3.021  -3.021
  136    H    PHE  20           H        PHE  20   7.277  -0.425  -0.425
  137    HA   PHE  20           HA       PHE  20   6.555  -0.254  -0.254
  138   1HB   PHE  20          2HB       PHE  20   7.935   1.942   1.942
  139   2HB   PHE  20          1HB       PHE  20   7.598   1.868   1.868
  140    HD1  PHE  20           HD1      PHE  20   8.804   0.089   0.089
  141    HD2  PHE  20           HD2      PHE  20  10.019   1.115   1.115
  142    HE1  PHE  20           HE1      PHE  20  11.054  -0.874  -0.874
  143    HE2  PHE  20           HE2      PHE  20  12.268   0.149   0.149
  144    HZ   PHE  20           HZ       PHE  20  12.789  -0.846  -0.846
  145    H    ILE  21           H        ILE  21   4.603   0.707   0.707
  146    HA   ILE  21           HA       ILE  21   3.247   1.819   1.819
  147    HB   ILE  21           HB       ILE  21   2.200   0.463   0.463
  148   1HG1  ILE  21          2HG1      ILE  21   2.474  -0.246  -0.246
  149   2HG1  ILE  21          1HG1      ILE  21   2.772  -1.234  -1.234
  150   1HG2  ILE  21          1HG2      ILE  21   0.600   1.869   1.869
  151   2HG2  ILE  21          3HG2      ILE  21  -0.088   0.798   0.798
  152   3HG2  ILE  21          2HG2      ILE  21   0.695   2.322   2.322
  153   1HD1  ILE  21          1HD1      ILE  21   0.025  -0.395  -0.395
  154   2HD1  ILE  21          3HD1      ILE  21   0.766  -2.011  -2.011
  155   3HD1  ILE  21          2HD1      ILE  21   0.312  -1.399  -1.399
  156    H    THR  22           H        THR  22   1.733   3.672   3.672
  157    HA   THR  22           HA       THR  22   2.723   5.358   5.358
  158    HB   THR  22           HB       THR  22   2.572   5.924   5.924
  159    HG1  THR  22           HG1      THR  22   4.003   7.423   7.423
  160   1HG2  THR  22          2HG2      THR  22   1.509   7.729   7.729
  161   2HG2  THR  22          1HG2      THR  22   2.618   8.444   8.444
  162   3HG2  THR  22          3HG2      THR  22   1.090   7.731   7.731
  163    HA   PRO  23           HA       PRO  23  -1.662   5.061   5.061
  164   1HB   PRO  23          2HB       PRO  23  -1.398   5.955   5.955
  165   2HB   PRO  23          1HB       PRO  23  -1.247   4.260   4.260
  166   1HG   PRO  23          2HG       PRO  23   0.828   6.175   6.175
  167   2HG   PRO  23          1HG       PRO  23   0.887   4.405   4.405
  168   1HD   PRO  23          2HD       PRO  23   2.045   6.285   6.285
  169   2HD   PRO  23          1HD       PRO  23   2.004   4.515   4.515
  170    H    ASP  24           H        ASP  24  -3.361   6.612   6.612
  171    HA   ASP  24           HA       ASP  24  -2.556   9.385   9.385
  172   1HB   ASP  24          2HB       ASP  24  -4.995   9.676   9.676
  173   2HB   ASP  24          1HB       ASP  24  -4.150   8.552   8.552
  174    H    ASP  25           H        ASP  25  -4.673   7.375   7.375
  175    HA   ASP  25           HA       ASP  25  -5.061   9.728   9.728
  176   1HB   ASP  25          2HB       ASP  25  -7.014   8.339   8.339
  177   2HB   ASP  25          1HB       ASP  25  -6.189   6.910   6.910
  178    H    GLY  26           H        GLY  26  -3.146   6.842   6.842
  179   1HA   GLY  26          1HA       GLY  26  -2.631   6.252   6.252
  180   2HA   GLY  26          2HA       GLY  26  -1.621   5.796   5.796
  181    H    SER  27           H        SER  27   0.408   6.643   6.643
  182    HA   SER  27           HA       SER  27   0.754   9.441   9.441
  183   1HB   SER  27          2HB       SER  27   1.595   7.149   7.149
  184   2HB   SER  27          1HB       SER  27   2.876   8.333   8.333
  185    HG   SER  27           HG       SER  27   0.636   8.535   8.535
  186    H    LYS  28           H        LYS  28   3.235   6.852   6.852
  187    HA   LYS  28           HA       LYS  28   4.325   8.144   8.144
  188   1HB   LYS  28          2HB       LYS  28   5.896   6.285   6.285
  189   2HB   LYS  28          1HB       LYS  28   6.475   7.568   7.568
  190   1HG   LYS  28          2HG       LYS  28   5.457   9.267   9.267
  191   2HG   LYS  28          1HG       LYS  28   4.886   7.971   7.971
  192   1HD   LYS  28          2HD       LYS  28   6.987   7.591   7.591
  193   2HD   LYS  28          1HD       LYS  28   7.798   7.964   7.964
  194   1HE   LYS  28          2HE       LYS  28   8.243   9.642   9.642
  195   2HE   LYS  28          1HE       LYS  28   7.518  10.354  10.354
  196   1HZ   LYS  28          1HZ       LYS  28   6.065   9.569   9.569
  197   2HZ   LYS  28          3HZ       LYS  28   6.467  11.127  11.127
  198   3HZ   LYS  28          2HZ       LYS  28   5.381  10.251  10.251
  199    H    ASP  29           H        ASP  29   5.964   6.170   6.170
  200    HA   ASP  29           HA       ASP  29   3.948   4.276   4.276
  201   1HB   ASP  29          2HB       ASP  29   6.058   3.595   3.595
  202   2HB   ASP  29          1HB       ASP  29   5.182   5.090   5.090
  203    H    VAL  30           H        VAL  30   4.133   2.011   2.011
  204    HA   VAL  30           HA       VAL  30   6.161   1.083   1.083
  205    HB   VAL  30           HB       VAL  30   4.152  -0.773  -0.773
  206   1HG1  VAL  30          1HG1      VAL  30   4.589   1.604   1.604
  207   2HG1  VAL  30          3HG1      VAL  30   3.639   0.146   0.146
  208   3HG1  VAL  30          2HG1      VAL  30   5.385   0.021   0.021
  209   1HG2  VAL  30          1HG2      VAL  30   2.637   0.690   0.690
  210   2HG2  VAL  30          3HG2      VAL  30   2.062   0.518   0.518
  211   3HG2  VAL  30          2HG2      VAL  30   2.888   2.003   2.003
  212    H    PHE  31           H        PHE  31   6.734  -1.300  -1.300
  213    HA   PHE  31           HA       PHE  31   7.250  -1.842  -1.842
  214   1HB   PHE  31          2HB       PHE  31   8.687  -3.639  -3.639
  215   2HB   PHE  31          1HB       PHE  31   9.140  -2.012  -2.012
  216    HD1  PHE  31           HD1      PHE  31   6.911  -4.787  -4.787
  217    HD2  PHE  31           HD2      PHE  31   9.742  -1.647  -1.647
  218    HE1  PHE  31           HE1      PHE  31   6.849  -5.418  -5.418
  219    HE2  PHE  31           HE2      PHE  31   9.676  -2.286  -2.286
  220    HZ   PHE  31           HZ       PHE  31   8.231  -4.171  -4.171
  221    H    VAL  32           H        VAL  32   6.681  -3.831  -3.831
  222    HA   VAL  32           HA       VAL  32   4.994  -5.717  -5.717
  223    HB   VAL  32           HB       VAL  32   3.116  -4.665  -4.665
  224   1HG1  VAL  32          1HG1      VAL  32   4.444  -3.037  -3.037
  225   2HG1  VAL  32          3HG1      VAL  32   2.795  -2.769  -2.769
  226   3HG1  VAL  32          2HG1      VAL  32   4.201  -2.532  -2.532
  227   1HG2  VAL  32          1HG2      VAL  32   2.920  -6.471  -6.471
  228   2HG2  VAL  32          3HG2      VAL  32   2.050  -5.020  -5.020
  229   3HG2  VAL  32          2HG2      VAL  32   3.635  -5.436  -5.436
  230    H    HIS  33           H        HIS  33   4.594  -7.668  -7.668
  231    HA   HIS  33           HA       HIS  33   6.476  -7.825  -7.825
  232   1HB   HIS  33          2HB       HIS  33   6.448 -10.321 -10.321
  233   2HB   HIS  33          1HB       HIS  33   7.365  -9.219  -9.219
  234    HD1  HIS  33           HD1      HIS  33   3.713 -10.721 -10.721
  235    HD2  HIS  33           HD2      HIS  33   6.819  -9.787  -9.787
  236    HE1  HIS  33           HE1      HIS  33   2.944 -11.378 -11.378
  237    H    PHE  34           H        PHE  34   5.781  -9.949  -9.949
  238    HA   PHE  34           HA       PHE  34   3.273  -9.218  -9.218
  239   1HB   PHE  34          2HB       PHE  34   3.736 -11.114 -11.114
  240   2HB   PHE  34          1HB       PHE  34   5.177 -10.132 -10.132
  241    HD1  PHE  34           HD1      PHE  34   3.584 -13.109 -13.109
  242    HD2  PHE  34           HD2      PHE  34   7.197 -11.244 -11.244
  243    HE1  PHE  34           HE1      PHE  34   4.900 -15.096 -15.096
  244    HE2  PHE  34           HE2      PHE  34   8.506 -13.237 -13.237
  245    HZ   PHE  34           HZ       PHE  34   7.360 -15.165 -15.165
  246    H    SER  35           H        SER  35   4.214 -11.359 -11.359
  247    HA   SER  35           HA       SER  35   1.860 -13.037 -13.037
  248   1HB   SER  35          2HB       SER  35   4.282 -13.305 -13.305
  249   2HB   SER  35          1HB       SER  35   3.225 -12.877 -12.877
  250    HG   SER  35           HG       SER  35   1.895 -14.669 -14.669
  251    H    ALA  36           H        ALA  36   1.180 -10.271 -10.271
  252    HA   ALA  36           HA       ALA  36  -0.835 -10.177 -10.177
  253   1HB   ALA  36          3HB       ALA  36   1.190  -9.403  -9.403
  254   2HB   ALA  36          2HB       ALA  36   1.470  -8.149  -8.149
  255   3HB   ALA  36          1HB       ALA  36   0.005  -8.088  -8.088
  256    H    ILE  37           H        ILE  37  -1.590 -10.181 -10.181
  257    HA   ILE  37           HA       ILE  37  -2.143  -7.363  -7.363
  258    HB   ILE  37           HB       ILE  37  -0.227  -7.781  -7.781
  259   1HG1  ILE  37          2HG1      ILE  37  -2.851  -7.353  -7.353
  260   2HG1  ILE  37          1HG1      ILE  37  -1.368  -6.383  -6.383
  261   1HG2  ILE  37          1HG2      ILE  37  -1.677 -10.199 -10.199
  262   2HG2  ILE  37          3HG2      ILE  37  -0.128  -9.546  -9.546
  263   3HG2  ILE  37          2HG2      ILE  37  -0.237 -10.214 -10.214
  264   1HD1  ILE  37          1HD1      ILE  37  -1.913  -8.970  -8.970
  265   2HD1  ILE  37          3HD1      ILE  37  -1.974  -7.317  -7.317
  266   3HD1  ILE  37          2HD1      ILE  37  -0.433  -7.996  -7.996
  267    H    GLN  38           H        GLN  38  -4.027  -8.611  -8.611
  268    HA   GLN  38           HA       GLN  38  -5.595 -10.540 -10.540
  269   1HB   GLN  38          2HB       GLN  38  -6.304  -8.025  -8.025
  270   2HB   GLN  38          1HB       GLN  38  -7.595  -9.075  -9.075
  271   1HG   GLN  38          2HG       GLN  38  -6.656  -9.457  -9.457
  272   2HG   GLN  38          1HG       GLN  38  -6.969 -10.861 -10.861
  273   1HE2  GLN  38          1HE2      GLN  38  -4.398  -8.399  -8.399
  274   2HE2  GLN  38          2HE2      GLN  38  -3.037  -9.521  -9.521
  275    H    ASN  39           H        ASN  39  -5.837 -10.756 -10.756
  276    HA   ASN  39           HA       ASN  39  -7.704  -8.983  -8.983
  277   1HB   ASN  39          2HB       ASN  39  -6.249  -8.179  -8.179
  278   2HB   ASN  39          1HB       ASN  39  -5.522  -7.697  -7.697
  279   1HD2  ASN  39          1HD2      ASN  39  -4.109  -7.822  -7.822
  280   2HD2  ASN  39          2HD2      ASN  39  -2.911  -9.118  -9.118
  281    H    ASP  40           H        ASP  40  -6.342  -9.749  -9.749
  282    HA   ASP  40           HA       ASP  40  -7.815 -11.861 -11.861
  283   1HB   ASP  40          2HB       ASP  40  -4.902 -11.254 -11.254
  284   2HB   ASP  40          1HB       ASP  40  -5.728 -12.612 -12.612
  285    H    GLY  41           H        GLY  41  -4.376 -12.615 -12.615
  286   1HA   GLY  41          1HA       GLY  41  -4.658 -14.350 -14.350
  287   2HA   GLY  41          2HA       GLY  41  -5.063 -15.342 -15.342
  288    H    TYR  42           H        TYR  42  -3.313 -13.980 -13.980
  289    HA   TYR  42           HA       TYR  42  -0.841 -15.298 -15.298
  290   1HB   TYR  42          1HB       TYR  42  -0.751 -13.619 -13.619
  291   2HB   TYR  42          2HB       TYR  42  -0.322 -15.308 -15.308
  292    HD1  TYR  42           HD1      TYR  42  -2.003 -17.131 -17.131
  293    HD2  TYR  42           HD2      TYR  42  -3.021 -12.992 -12.992
  294    HE1  TYR  42           HE1      TYR  42  -4.070 -17.844 -17.844
  295    HE2  TYR  42           HE2      TYR  42  -5.089 -13.706 -13.706
  296    HH   TYR  42           HH       TYR  42  -6.370 -16.872 -16.872
  297    H    LYS  43           H        LYS  43  -1.325 -13.396 -13.396
  298    HA   LYS  43           HA       LYS  43  -0.743 -11.271 -11.271
  299   1HB   LYS  43          2HB       LYS  43   1.838 -11.291 -11.291
  300   2HB   LYS  43          1HB       LYS  43   0.860 -12.546 -12.546
  301   1HG   LYS  43          2HG       LYS  43   1.987 -12.975 -12.975
  302   2HG   LYS  43          1HG       LYS  43   3.010 -13.227 -13.227
  303   1HD   LYS  43          2HD       LYS  43   0.572 -14.741 -14.741
  304   2HD   LYS  43          1HD       LYS  43   2.120 -15.364 -15.364
  305   1HE   LYS  43          2HE       LYS  43  -0.101 -14.057 -14.057
  306   2HE   LYS  43          1HE       LYS  43   0.385 -15.763 -15.763
  307   1HZ   LYS  43          1HZ       LYS  43   2.071 -13.462 -13.462
  308   2HZ   LYS  43          3HZ       LYS  43   1.307 -14.516 -14.516
  309   3HZ   LYS  43          2HZ       LYS  43   2.530 -15.056 -15.056
  310    H    SER  44           H        SER  44   2.165 -10.368 -10.368
  311    HA   SER  44           HA       SER  44   2.988  -8.894  -8.894
  312   1HB   SER  44          2HB       SER  44   1.218 -10.555 -10.555
  313   2HB   SER  44          1HB       SER  44   1.227  -8.884  -8.884
  314    HG   SER  44           HG       SER  44   3.624  -9.117  -9.117
  315    H    LEU  45           H        LEU  45   2.811  -6.782  -6.782
  316    HA   LEU  45           HA       LEU  45   0.076  -5.664  -5.664
  317   1HB   LEU  45          2HB       LEU  45   2.668  -4.878  -4.878
  318   2HB   LEU  45          1HB       LEU  45   1.250  -3.811  -3.811
  319    HG   LEU  45           HG       LEU  45   0.471  -6.394  -6.394
  320   1HD1  LEU  45          1HD1      LEU  45   2.851  -5.257  -5.257
  321   2HD1  LEU  45          3HD1      LEU  45   1.787  -6.567  -6.567
  322   3HD1  LEU  45          2HD1      LEU  45   2.780  -6.805  -6.805
  323   1HD2  LEU  45          1HD2      LEU  45  -0.720  -4.318  -4.318
  324   2HD2  LEU  45          3HD2      LEU  45  -0.233  -5.146  -5.146
  325   3HD2  LEU  45          2HD2      LEU  45   0.670  -3.729  -3.729
  326    H    ASP  46           H        ASP  46   1.042  -2.872  -2.872
  327    HA   ASP  46           HA       ASP  46   2.258  -2.637  -2.637
  328   1HB   ASP  46          2HB       ASP  46  -0.419  -2.832  -2.832
  329   2HB   ASP  46          1HB       ASP  46  -0.277  -1.124  -1.124
  330    H    GLU  47           H        GLU  47   2.606  -0.261  -0.261
  331    HA   GLU  47           HA       GLU  47   3.376   1.098   1.098
  332   1HB   GLU  47          2HB       GLU  47   4.614   2.647   2.647
  333   2HB   GLU  47          1HB       GLU  47   5.114   0.950   0.950
  334   1HG   GLU  47          2HG       GLU  47   3.229   0.938   0.938
  335   2HG   GLU  47          1HG       GLU  47   3.574   2.679   2.679
  336    H    GLY  48           H        GLY  48   1.625   2.121   2.121
  337   1HA   GLY  48          1HA       GLY  48   0.368   4.147   4.147
  338   2HA   GLY  48          2HA       GLY  48   0.362   4.252   4.252
  339    H    GLN  49           H        GLN  49  -0.916   2.422   2.422
  340    HA   GLN  49           HA       GLN  49  -3.448   2.110   2.110
  341   1HB   GLN  49          2HB       GLN  49  -2.436   0.087   0.087
  342   2HB   GLN  49          1HB       GLN  49  -1.760  -0.270  -0.270
  343   1HG   GLN  49          2HG       GLN  49  -4.079  -0.533  -0.533
  344   2HG   GLN  49          1HG       GLN  49  -4.722  -0.202  -0.202
  345   1HE2  GLN  49          1HE2      GLN  49  -5.298  -2.507  -2.507
  346   2HE2  GLN  49          2HE2      GLN  49  -4.583  -3.909  -3.909
  347    H    LYS  50           H        LYS  50  -5.118   2.385   2.385
  348    HA   LYS  50           HA       LYS  50  -4.467   2.893   2.893
  349   1HB   LYS  50          2HB       LYS  50  -6.236   4.037   4.037
  350   2HB   LYS  50          1HB       LYS  50  -7.260   2.628   2.628
  351   1HG   LYS  50          2HG       LYS  50  -7.724   3.391   3.391
  352   2HG   LYS  50          1HG       LYS  50  -6.004   3.650   3.650
  353   1HD   LYS  50          2HD       LYS  50  -6.487   5.725   5.725
  354   2HD   LYS  50          1HD       LYS  50  -8.085   5.557   5.557
  355   1HE   LYS  50          2HE       LYS  50  -7.329   6.283   6.283
  356   2HE   LYS  50          1HE       LYS  50  -5.762   5.470   5.470
  357   1HZ   LYS  50          1HZ       LYS  50  -6.581   7.967   7.967
  358   2HZ   LYS  50          3HZ       LYS  50  -5.553   7.850   7.850
  359   3HZ   LYS  50          2HZ       LYS  50  -5.107   7.222   7.222
  360    H    VAL  51           H        VAL  51  -4.687   1.605   1.605
  361    HA   VAL  51           HA       VAL  51  -6.212  -0.886  -0.886
  362    HB   VAL  51           HB       VAL  51  -4.519  -2.371  -2.371
  363   1HG1  VAL  51          1HG1      VAL  51  -3.354  -0.248  -0.248
  364   2HG1  VAL  51          3HG1      VAL  51  -2.830  -1.952  -1.952
  365   3HG1  VAL  51          2HG1      VAL  51  -4.475  -1.546  -1.546
  366   1HG2  VAL  51          1HG2      VAL  51  -3.328  -1.223  -1.223
  367   2HG2  VAL  51          3HG2      VAL  51  -2.169  -1.778  -1.778
  368   3HG2  VAL  51          2HG2      VAL  51  -2.632  -0.067  -0.067
  369    H    SER  52           H        SER  52  -6.022  -2.101  -2.101
  370    HA   SER  52           HA       SER  52  -5.862  -0.022  -0.022
  371   1HB   SER  52          2HB       SER  52  -8.101  -1.730  -1.730
  372   2HB   SER  52          1HB       SER  52  -7.665  -1.955  -1.955
  373    HG   SER  52           HG       SER  52  -8.879  -0.208  -0.208
  374    H    PHE  53           H        PHE  53  -4.503  -0.515  -0.515
  375    HA   PHE  53           HA       PHE  53  -3.928  -3.386  -3.386
  376   1HB   PHE  53          2HB       PHE  53  -1.478  -2.780  -2.780
  377   2HB   PHE  53          1HB       PHE  53  -2.200  -2.993  -2.993
  378    HD1  PHE  53           HD2      PHE  53  -3.229  -0.711  -0.711
  379    HD2  PHE  53           HD1      PHE  53  -0.045  -0.917  -0.917
  380    HE1  PHE  53           HE2      PHE  53  -2.422   1.531   1.531
  381    HE2  PHE  53           HE1      PHE  53   0.753   1.323   1.323
  382    HZ   PHE  53           HZ       PHE  53  -0.432   2.550   2.550
  383    H    THR  54           H        THR  54  -1.993  -3.074  -3.074
  384    HA   THR  54           HA       THR  54  -3.162  -1.105  -1.105
  385    HB   THR  54           HB       THR  54  -3.927  -3.268  -3.268
  386    HG1  THR  54           HG1      THR  54  -3.110  -2.293  -2.293
  387   1HG2  THR  54          2HG2      THR  54  -1.141  -4.088  -4.088
  388   2HG2  THR  54          1HG2      THR  54  -1.812  -4.874  -4.874
  389   3HG2  THR  54          3HG2      THR  54  -2.658  -5.024  -5.024
  390    H    ILE  55           H        ILE  55  -1.620   0.520   0.520
  391    HA   ILE  55           HA       ILE  55   1.174  -0.100  -0.100
  392    HB   ILE  55           HB       ILE  55  -0.210   2.486   2.486
  393   1HG1  ILE  55          2HG1      ILE  55   0.694   2.576   2.576
  394   2HG1  ILE  55          1HG1      ILE  55   0.095   0.914   0.914
  395   1HG2  ILE  55          1HG2      ILE  55   2.631   1.946   1.946
  396   2HG2  ILE  55          3HG2      ILE  55   1.868   3.557   3.557
  397   3HG2  ILE  55          2HG2      ILE  55   2.143   2.613   2.613
  398   1HD1  ILE  55          1HD1      ILE  55  -1.461   3.463   3.463
  399   2HD1  ILE  55          3HD1      ILE  55  -1.698   2.442   2.442
  400   3HD1  ILE  55          2HD1      ILE  55  -2.075   1.807   1.807
  401    H    GLU  56           H        GLU  56   0.998  -1.613  -1.613
  402    HA   GLU  56           HA       GLU  56   2.398  -0.478  -0.478
  403   1HB   GLU  56          2HB       GLU  56  -0.475  -0.120  -0.120
  404   2HB   GLU  56          1HB       GLU  56   0.121  -1.166  -1.166
  405   1HG   GLU  56          2HG       GLU  56   1.643   0.507   0.507
  406   2HG   GLU  56          1HG       GLU  56   1.485   1.449   1.449
  407    H    SER  57           H        SER  57   3.509  -2.146  -2.146
  408    HA   SER  57           HA       SER  57   4.074  -4.256  -4.256
  409   1HB   SER  57          2HB       SER  57   1.854  -4.216  -4.216
  410   2HB   SER  57          1HB       SER  57   1.133  -4.977  -4.977
  411    HG   SER  57           HG       SER  57   3.356  -6.102  -6.102
  412    H    GLY  58           H        GLY  58   4.863  -6.072  -6.072
  413   1HA   GLY  58          1HA       GLY  58   3.646  -7.386  -7.386
  414   2HA   GLY  58          2HA       GLY  58   4.641  -6.084  -6.084
  415    H    ALA  59           H        ALA  59   6.700  -6.036  -6.036
  416    HA   ALA  59           HA       ALA  59   7.826  -8.722  -8.722
  417   1HB   ALA  59          3HB       ALA  59   8.336  -8.226  -8.226
  418   2HB   ALA  59          2HB       ALA  59   9.113  -6.708  -6.708
  419   3HB   ALA  59          1HB       ALA  59   9.817  -8.256  -8.256
  420    H    LYS  60           H        LYS  60   9.446  -5.582  -5.582
  421    HA   LYS  60           HA       LYS  60  10.706  -5.730  -5.730
  422   1HB   LYS  60          2HB       LYS  60  11.757  -3.501  -3.501
  423   2HB   LYS  60          1HB       LYS  60  12.277  -5.094  -5.094
  424   1HG   LYS  60          2HG       LYS  60   9.943  -3.904  -3.904
  425   2HG   LYS  60          1HG       LYS  60  11.474  -3.027  -3.027
  426   1HD   LYS  60          2HD       LYS  60  11.800  -5.937  -5.937
  427   2HD   LYS  60          1HD       LYS  60  10.635  -5.295  -5.295
  428   1HE   LYS  60          2HE       LYS  60  13.206  -3.789  -3.789
  429   2HE   LYS  60          1HE       LYS  60  13.298  -5.352  -5.352
  430   1HZ   LYS  60          1HZ       LYS  60  11.525  -3.101  -3.101
  431   2HZ   LYS  60          3HZ       LYS  60  12.931  -3.540  -3.540
  432   3HZ   LYS  60          2HZ       LYS  60  11.615  -4.554  -4.554
  433    H    GLY  61           H        GLY  61   8.896  -3.142  -3.142
  434   1HA   GLY  61          1HA       GLY  61   7.427  -2.501  -2.501
  435   2HA   GLY  61          2HA       GLY  61   8.412  -1.219  -1.219
  436    HA   PRO  62           HA       PRO  62   4.913  -0.466  -0.466
  437   1HB   PRO  62          2HB       PRO  62   6.223   1.213   1.213
  438   2HB   PRO  62          1HB       PRO  62   5.621   1.752   1.752
  439   1HG   PRO  62          2HG       PRO  62   8.377   1.259   1.259
  440   2HG   PRO  62          1HG       PRO  62   7.784   2.179   2.179
  441   1HD   PRO  62          2HD       PRO  62   8.955  -0.434  -0.434
  442   2HD   PRO  62          1HD       PRO  62   8.261   0.456   0.456
  443    H    ALA  63           H        ALA  63   3.894  -1.405  -1.405
  444    HA   ALA  63           HA       ALA  63   5.409  -2.387  -2.387
  445   1HB   ALA  63          3HB       ALA  63   5.718  -4.214  -4.214
  446   2HB   ALA  63          2HB       ALA  63   3.958  -4.297  -4.297
  447   3HB   ALA  63          1HB       ALA  63   4.683  -4.743  -4.743
  448    H    ALA  64           H        ALA  64   3.944  -3.258  -3.258
  449    HA   ALA  64           HA       ALA  64   1.159  -2.172  -2.172
  450   1HB   ALA  64          3HB       ALA  64   2.575  -1.265  -1.265
  451   2HB   ALA  64          2HB       ALA  64   2.788  -2.917  -2.917
  452   3HB   ALA  64          1HB       ALA  64   1.171  -2.184  -2.184
  453    H    GLY  65           H        GLY  65   0.452  -4.117  -4.117
  454   1HA   GLY  65          1HA       GLY  65   0.418  -6.586  -6.586
  455   2HA   GLY  65          2HA       GLY  65   0.151  -6.513  -6.513
  456    H    ASN  66           H        ASN  66  -1.685  -7.868  -7.868
  457    HA   ASN  66           HA       ASN  66  -3.933  -8.003  -8.003
  458   1HB   ASN  66          2HB       ASN  66  -3.740  -6.420  -6.420
  459   2HB   ASN  66          1HB       ASN  66  -4.734  -5.435  -5.435
  460   1HD2  ASN  66          1HD2      ASN  66  -5.156  -7.135  -7.135
  461   2HD2  ASN  66          2HD2      ASN  66  -6.565  -8.135  -8.135
  462    H    VAL  67           H        VAL  67  -2.234  -6.760  -6.760
  463    HA   VAL  67           HA       VAL  67  -3.399  -4.308  -4.308
  464    HB   VAL  67           HB       VAL  67  -1.391  -6.249  -6.249
  465   1HG1  VAL  67          1HG1      VAL  67  -2.813  -4.519  -4.519
  466   2HG1  VAL  67          3HG1      VAL  67  -1.277  -5.388  -5.388
  467   3HG1  VAL  67          2HG1      VAL  67  -2.771  -6.293  -6.293
  468   1HG2  VAL  67          1HG2      VAL  67  -0.788  -4.148  -4.148
  469   2HG2  VAL  67          3HG2      VAL  67  -0.132  -4.168  -4.168
  470   3HG2  VAL  67          2HG2      VAL  67  -1.578  -3.209  -3.209
  471    H    THR  68           H        THR  68  -4.612  -4.029  -4.029
  472    HA   THR  68           HA       THR  68  -5.929  -6.266  -6.266
  473    HB   THR  68           HB       THR  68  -7.350  -6.573  -6.573
  474    HG1  THR  68           HG1      THR  68  -8.459  -4.544  -4.544
  475   1HG2  THR  68          2HG2      THR  68  -6.999  -3.569  -3.569
  476   2HG2  THR  68          1HG2      THR  68  -8.551  -4.259  -4.259
  477   3HG2  THR  68          3HG2      THR  68  -7.053  -4.789  -4.789
  478    H    SER  69           H        SER  69  -6.307  -5.602  -5.602
  479    HA   SER  69           HA       SER  69  -5.972  -2.853  -2.853
  480   1HB   SER  69          2HB       SER  69  -6.714  -3.597  -3.597
  481   2HB   SER  69          1HB       SER  69  -5.396  -4.573  -4.573
  482    HG   SER  69           HG       SER  69  -7.392  -5.900  -5.900
  483    H    LEU  70           H        LEU  70  -7.429  -1.206  -1.206
  484    HA   LEU  70           HA       LEU  70 -10.193  -1.836  -1.836
  485   1HB   LEU  70          2HB       LEU  70  -8.392   0.341   0.341
  486   2HB   LEU  70          1HB       LEU  70  -9.874   0.924   0.924
  487    HG   LEU  70           HG       LEU  70  -9.696  -0.663  -0.663
  488   1HD1  LEU  70          1HD1      LEU  70 -10.246   2.306   2.306
  489   2HD1  LEU  70          3HD1      LEU  70 -10.396   1.432   1.432
  490   3HD1  LEU  70          2HD1      LEU  70  -8.815   1.579   1.579
  491   1HD2  LEU  70          1HD2      LEU  70 -11.803  -1.095  -1.095
  492   2HD2  LEU  70          3HD2      LEU  70 -12.115  -0.111  -0.111
  493   3HD2  LEU  70          2HD2      LEU  70 -12.111   0.647   0.647

  Start of MODEL    7
    1    H    SER   2           H        SER   2  -9.006  -2.177  -2.177
    2    HA   SER   2           HA       SER   2  -6.455  -2.022  -2.022
    3   1HB   SER   2          2HB       SER   2  -7.362  -4.801  -4.801
    4   2HB   SER   2          1HB       SER   2  -5.798  -4.032  -4.032
    5    HG   SER   2           HG       SER   2  -5.543  -3.999  -3.999
    6    H    GLY   3           H        GLY   3  -8.564  -0.560  -0.560
    7   1HA   GLY   3          1HA       GLY   3 -10.182  -1.236  -1.236
    8   2HA   GLY   3          2HA       GLY   3  -9.690   0.410   0.410
    9    H    LYS   4           H        LYS   4 -10.021  -0.656  -0.656
   10    HA   LYS   4           HA       LYS   4  -7.244  -0.936  -0.936
   11   1HB   LYS   4          2HB       LYS   4  -9.926  -1.579  -1.579
   12   2HB   LYS   4          1HB       LYS   4  -8.660  -1.137  -1.137
   13   1HG   LYS   4          2HG       LYS   4  -7.893  -3.255  -3.255
   14   2HG   LYS   4          1HG       LYS   4  -7.415  -2.890  -2.890
   15   1HD   LYS   4          2HD       LYS   4  -9.819  -3.491  -3.491
   16   2HD   LYS   4          1HD       LYS   4 -10.026  -4.104  -4.104
   17   1HE   LYS   4          2HE       LYS   4  -7.641  -5.286  -5.286
   18   2HE   LYS   4          1HE       LYS   4  -8.600  -5.283  -5.283
   19   1HZ   LYS   4          1HZ       LYS   4  -9.471  -6.346  -6.346
   20   2HZ   LYS   4          3HZ       LYS   4  -8.970  -7.250  -7.250
   21   3HZ   LYS   4          2HZ       LYS   4 -10.370  -6.362  -6.362
   22    H    MET   5           H        MET   5  -6.524   0.395   0.395
   23    HA   MET   5           HA       MET   5  -7.855   3.053   3.053
   24   1HB   MET   5          2HB       MET   5  -5.240   3.780   3.780
   25   2HB   MET   5          1HB       MET   5  -6.193   3.810   3.810
   26   1HG   MET   5          2HG       MET   5  -5.373   1.515   1.515
   27   2HG   MET   5          1HG       MET   5  -4.414   1.516   1.516
   28   1HE   MET   5          1HE       MET   5  -4.651   5.055   5.055
   29   2HE   MET   5          3HE       MET   5  -2.900   5.313   5.313
   30   3HE   MET   5          2HE       MET   5  -3.506   4.624   4.624
   31    H    THR   6           H        THR   6  -7.297   4.275   4.275
   32    HA   THR   6           HA       THR   6  -6.713   2.452   2.452
   33    HB   THR   6           HB       THR   6  -7.684   4.279   4.279
   34    HG1  THR   6           HG1      THR   6  -6.673   5.973   5.973
   35   1HG2  THR   6          2HG2      THR   6  -9.019   3.591   3.591
   36   2HG2  THR   6          1HG2      THR   6  -9.681   4.954   4.954
   37   3HG2  THR   6          3HG2      THR   6  -9.638   3.337   3.337
   38    H    GLY   7           H        GLY   7  -5.283   3.357   3.357
   39   1HA   GLY   7          1HA       GLY   7  -3.384   5.337   5.337
   40   2HA   GLY   7          2HA       GLY   7  -2.682   4.012   4.012
   41    H    ILE   8           H        ILE   8  -2.231   5.344   5.344
   42    HA   ILE   8           HA       ILE   8  -2.533   2.943   2.943
   43    HB   ILE   8           HB       ILE   8  -2.473   4.235   4.235
   44   1HG1  ILE   8          2HG1      ILE   8  -0.316   5.751   5.751
   45   2HG1  ILE   8          1HG1      ILE   8  -0.310   5.011   5.011
   46   1HG2  ILE   8          1HG2      ILE   8  -3.095   6.311   6.311
   47   2HG2  ILE   8          3HG2      ILE   8  -3.480   6.476   6.476
   48   3HG2  ILE   8          2HG2      ILE   8  -4.242   5.197   5.197
   49   1HD1  ILE   8          1HD1      ILE   8  -1.814   7.556   7.556
   50   2HD1  ILE   8          3HD1      ILE   8  -0.295   7.482   7.482
   51   3HD1  ILE   8          2HD1      ILE   8  -1.798   6.832   6.832
   52    H    VAL   9           H        VAL   9  -0.590   2.311   2.311
   53    HA   VAL   9           HA       VAL   9   1.804   2.303   2.303
   54    HB   VAL   9           HB       VAL   9   1.297   0.146   0.146
   55   1HG1  VAL   9          1HG1      VAL   9   0.321   0.696   0.696
   56   2HG1  VAL   9          3HG1      VAL   9   0.310  -0.899  -0.899
   57   3HG1  VAL   9          2HG1      VAL   9  -0.692   0.426   0.426
   58   1HG2  VAL   9          1HG2      VAL   9   3.570   0.436   0.436
   59   2HG2  VAL   9          3HG2      VAL   9   2.746  -0.903  -0.903
   60   3HG2  VAL   9          2HG2      VAL   9   2.927   0.674   0.674
   61    H    LYS  10           H        LYS  10   3.652   3.320   3.320
   62    HA   LYS  10           HA       LYS  10   3.617   4.465   4.465
   63   1HB   LYS  10          2HB       LYS  10   4.873   5.344   5.344
   64   2HB   LYS  10          1HB       LYS  10   5.493   5.938   5.938
   65   1HG   LYS  10          2HG       LYS  10   2.840   6.326   6.326
   66   2HG   LYS  10          1HG       LYS  10   2.883   6.466   6.466
   67   1HD   LYS  10          2HD       LYS  10   3.716   8.556   8.556
   68   2HD   LYS  10          1HD       LYS  10   5.100   7.942   7.942
   69   1HE   LYS  10          2HE       LYS  10   4.200   9.334   9.334
   70   2HE   LYS  10          1HE       LYS  10   3.223   7.892   7.892
   71   1HZ   LYS  10          1HZ       LYS  10   2.449  10.131  10.131
   72   2HZ   LYS  10          3HZ       LYS  10   1.883   9.856   9.856
   73   3HZ   LYS  10          2HZ       LYS  10   1.521   8.792   8.792
   74    H    TRP  11           H        TRP  11   5.535   2.531   2.531
   75    HA   TRP  11           HA       TRP  11   7.238   1.724   1.724
   76   1HB   TRP  11          2HB       TRP  11   8.286   1.836   1.836
   77   2HB   TRP  11          1HB       TRP  11   9.176   1.764   1.764
   78    HD1  TRP  11           HD1      TRP  11   7.230   4.378   4.378
   79    HE1  TRP  11           HE1      TRP  11   7.851   6.657   6.657
   80    HE3  TRP  11           HE3      TRP  11  10.145   3.149   3.149
   81    HZ2  TRP  11           HZ2      TRP  11   9.525   7.959   7.959
   82    HZ3  TRP  11           HZ3      TRP  11  11.204   5.047   5.047
   83    HH2  TRP  11           HH2      TRP  11  10.929   7.341   7.341
   84    H    PHE  12           H        PHE  12   7.523  -0.474  -0.474
   85    HA   PHE  12           HA       PHE  12   6.815  -2.357  -2.357
   86   1HB   PHE  12          2HB       PHE  12   4.735  -2.738  -2.738
   87   2HB   PHE  12          1HB       PHE  12   4.885  -1.537  -1.537
   88    HD1  PHE  12           HD1      PHE  12   5.230  -5.176  -5.176
   89    HD2  PHE  12           HD2      PHE  12   5.248  -2.135  -2.135
   90    HE1  PHE  12           HE1      PHE  12   5.087  -6.937  -6.937
   91    HE2  PHE  12           HE2      PHE  12   5.104  -3.903  -3.903
   92    HZ   PHE  12           HZ       PHE  12   5.023  -6.304  -6.304
   93    H    ASN  13           H        ASN  13   7.622  -4.471  -4.471
   94    HA   ASN  13           HA       ASN  13   8.881  -5.094  -5.094
   95   1HB   ASN  13          2HB       ASN  13  10.726  -5.101  -5.101
   96   2HB   ASN  13          1HB       ASN  13  11.139  -5.122  -5.122
   97   1HD2  ASN  13          1HD2      ASN  13   9.763  -3.188  -3.188
   98   2HD2  ASN  13          2HD2      ASN  13  10.227  -1.599  -1.599
   99    H    ALA  14           H        ALA  14   7.400  -6.872  -6.872
  100    HA   ALA  14           HA       ALA  14   7.820  -8.778  -8.778
  101   1HB   ALA  14          3HB       ALA  14   5.484  -8.182  -8.182
  102   2HB   ALA  14          2HB       ALA  14   5.870  -8.781  -8.781
  103   3HB   ALA  14          1HB       ALA  14   5.843  -9.911  -9.911
  104    H    ASP  15           H        ASP  15  10.136  -8.790  -8.790
  105    HA   ASP  15           HA       ASP  15  10.238 -11.406 -11.406
  106   1HB   ASP  15          2HB       ASP  15  11.084 -10.777 -10.777
  107   2HB   ASP  15          1HB       ASP  15   9.470 -10.074 -10.074
  108    H    LYS  16           H        LYS  16  11.724  -8.210  -8.210
  109    HA   LYS  16           HA       LYS  16  14.371  -9.483  -9.483
  110   1HB   LYS  16          2HB       LYS  16  14.977  -6.966  -6.966
  111   2HB   LYS  16          1HB       LYS  16  14.662  -7.511  -7.511
  112   1HG   LYS  16          2HG       LYS  16  12.374  -6.687  -6.687
  113   2HG   LYS  16          1HG       LYS  16  12.542  -6.329  -6.329
  114   1HD   LYS  16          2HD       LYS  16  12.753  -4.358  -4.358
  115   2HD   LYS  16          1HD       LYS  16  13.994  -4.499  -4.499
  116   1HE   LYS  16          2HE       LYS  16  14.468  -5.901  -5.901
  117   2HE   LYS  16          1HE       LYS  16  14.614  -4.133  -4.133
  118   1HZ   LYS  16          1HZ       LYS  16  16.036  -6.012  -6.012
  119   2HZ   LYS  16          3HZ       LYS  16  16.692  -5.214  -5.214
  120   3HZ   LYS  16          2HZ       LYS  16  16.191  -4.359  -4.359
  121    H    GLY  17           H        GLY  17  12.112  -7.585  -7.585
  122   1HA   GLY  17          1HA       GLY  17  13.089  -9.098  -9.098
  123   2HA   GLY  17          2HA       GLY  17  13.323  -7.340  -7.340
  124    H    PHE  18           H        PHE  18  11.480  -5.933  -5.933
  125    HA   PHE  18           HA       PHE  18   8.780  -7.198  -7.198
  126   1HB   PHE  18          2HB       PHE  18   8.598  -5.669  -5.669
  127   2HB   PHE  18          1HB       PHE  18   9.142  -7.336  -7.336
  128    HD1  PHE  18           HD2      PHE  18  11.212  -4.465  -4.465
  129    HD2  PHE  18           HD1      PHE  18  10.484  -7.255  -7.255
  130    HE1  PHE  18           HE2      PHE  18  13.322  -3.750  -3.750
  131    HE2  PHE  18           HE1      PHE  18  12.592  -6.535  -6.535
  132    HZ   PHE  18           HZ       PHE  18  14.015  -4.783  -4.783
  133    H    GLY  19           H        GLY  19   7.304  -5.091  -5.091
  134   1HA   GLY  19          1HA       GLY  19   8.052  -2.889  -2.889
  135   2HA   GLY  19          2HA       GLY  19   6.399  -3.514  -3.514
  136    H    PHE  20           H        PHE  20   7.009  -0.772  -0.772
  137    HA   PHE  20           HA       PHE  20   6.632  -0.487  -0.487
  138   1HB   PHE  20          2HB       PHE  20   7.784   1.716   1.716
  139   2HB   PHE  20          1HB       PHE  20   8.002   1.345   1.345
  140    HD1  PHE  20           HD1      PHE  20   8.924  -1.476  -1.476
  141    HD2  PHE  20           HD2      PHE  20   9.954   1.791   1.791
  142    HE1  PHE  20           HE1      PHE  20  11.114  -2.548  -2.548
  143    HE2  PHE  20           HE2      PHE  20  12.143   0.712   0.712
  144    HZ   PHE  20           HZ       PHE  20  12.725  -1.458  -1.458
  145    H    ILE  21           H        ILE  21   4.489  -0.092  -0.092
  146    HA   ILE  21           HA       ILE  21   3.008   1.306   1.306
  147    HB   ILE  21           HB       ILE  21   2.340  -0.075  -0.075
  148   1HG1  ILE  21          2HG1      ILE  21   1.195  -1.610  -1.610
  149   2HG1  ILE  21          1HG1      ILE  21   0.980  -0.438  -0.438
  150   1HG2  ILE  21          1HG2      ILE  21   0.424   1.711   1.711
  151   2HG2  ILE  21          3HG2      ILE  21  -0.053   0.556   0.556
  152   3HG2  ILE  21          2HG2      ILE  21   0.980   1.943   1.943
  153   1HD1  ILE  21          1HD1      ILE  21   3.637  -1.684  -1.684
  154   2HD1  ILE  21          3HD1      ILE  21   2.689  -2.132  -2.132
  155   3HD1  ILE  21          2HD1      ILE  21   3.430  -0.524  -0.524
  156    H    THR  22           H        THR  22   1.502   3.174   3.174
  157    HA   THR  22           HA       THR  22   2.780   4.872   4.872
  158    HB   THR  22           HB       THR  22   2.741   5.386   5.386
  159    HG1  THR  22           HG1      THR  22   4.227   6.749   6.749
  160   1HG2  THR  22          2HG2      THR  22   1.788   7.331   7.331
  161   2HG2  THR  22          1HG2      THR  22   2.985   7.917   7.917
  162   3HG2  THR  22          3HG2      THR  22   1.412   7.325   7.325
  163    HA   PRO  23           HA       PRO  23  -1.482   5.385   5.385
  164   1HB   PRO  23          2HB       PRO  23  -1.098   7.399   7.399
  165   2HB   PRO  23          1HB       PRO  23  -0.912   5.663   5.663
  166   1HG   PRO  23          2HG       PRO  23   1.133   7.757   7.757
  167   2HG   PRO  23          1HG       PRO  23   1.255   6.138   6.138
  168   1HD   PRO  23          2HD       PRO  23   2.231   6.988   6.988
  169   2HD   PRO  23          1HD       PRO  23   2.250   5.352   5.352
  170    H    ASP  24           H        ASP  24  -2.629   7.854   7.854
  171    HA   ASP  24           HA       ASP  24  -3.563   8.962   8.962
  172   1HB   ASP  24          2HB       ASP  24  -3.811  11.117  11.117
  173   2HB   ASP  24          1HB       ASP  24  -4.580   9.662   9.662
  174    H    ASP  25           H        ASP  25  -0.415   9.463   9.463
  175    HA   ASP  25           HA       ASP  25   1.362  10.141  10.141
  176   1HB   ASP  25          2HB       ASP  25  -0.212  11.040  11.040
  177   2HB   ASP  25          1HB       ASP  25  -0.645  12.350  12.350
  178    H    GLY  26           H        GLY  26  -0.348  11.060  11.060
  179   1HA   GLY  26          1HA       GLY  26   1.812  12.963  12.963
  180   2HA   GLY  26          2HA       GLY  26   0.105  13.301  13.301
  181    H    SER  27           H        SER  27   2.008  10.213  10.213
  182    HA   SER  27           HA       SER  27   1.683  10.125  10.125
  183   1HB   SER  27          2HB       SER  27   0.081   8.586   8.586
  184   2HB   SER  27          1HB       SER  27   1.179   7.489   7.489
  185    HG   SER  27           HG       SER  27  -0.908   7.950   7.950
  186    H    LYS  28           H        LYS  28   2.517   7.562   7.562
  187    HA   LYS  28           HA       LYS  28   5.232   7.877   7.877
  188   1HB   LYS  28          2HB       LYS  28   4.479   7.110   7.110
  189   2HB   LYS  28          1HB       LYS  28   5.543   5.895   5.895
  190   1HG   LYS  28          2HG       LYS  28   6.713   8.299   8.299
  191   2HG   LYS  28          1HG       LYS  28   6.117   8.659   8.659
  192   1HD   LYS  28          2HD       LYS  28   7.223   6.288   6.288
  193   2HD   LYS  28          1HD       LYS  28   8.178   6.656   6.656
  194   1HE   LYS  28          2HE       LYS  28   8.361   9.039   9.039
  195   2HE   LYS  28          1HE       LYS  28   8.195   7.941   7.941
  196   1HZ   LYS  28          1HZ       LYS  28  10.184   7.699   7.699
  197   2HZ   LYS  28          3HZ       LYS  28  10.478   8.258   8.258
  198   3HZ   LYS  28          2HZ       LYS  28  10.046   6.674   6.674
  199    H    ASP  29           H        ASP  29   6.115   6.271   6.271
  200    HA   ASP  29           HA       ASP  29   4.237   4.437   4.437
  201   1HB   ASP  29          2HB       ASP  29   6.228   3.582   3.582
  202   2HB   ASP  29          1HB       ASP  29   6.051   5.345   5.345
  203    H    VAL  30           H        VAL  30   3.872   2.281   2.281
  204    HA   VAL  30           HA       VAL  30   5.402   1.112   1.112
  205    HB   VAL  30           HB       VAL  30   3.411  -0.507  -0.507
  206   1HG1  VAL  30          1HG1      VAL  30   3.107   2.382   2.382
  207   2HG1  VAL  30          3HG1      VAL  30   2.109   1.010   1.010
  208   3HG1  VAL  30          2HG1      VAL  30   3.849   1.050   1.050
  209   1HG2  VAL  30          1HG2      VAL  30   2.415   0.232   0.232
  210   2HG2  VAL  30          3HG2      VAL  30   1.284   0.533   0.533
  211   3HG2  VAL  30          2HG2      VAL  30   2.206   1.874   1.874
  212    H    PHE  31           H        PHE  31   6.738  -0.597  -0.597
  213    HA   PHE  31           HA       PHE  31   6.968  -1.655  -1.655
  214   1HB   PHE  31          2HB       PHE  31   8.621  -2.548  -2.548
  215   2HB   PHE  31          1HB       PHE  31   9.055  -2.406  -2.406
  216    HD1  PHE  31           HD2      PHE  31   8.140  -0.243  -0.243
  217    HD2  PHE  31           HD1      PHE  31  10.320  -0.574  -0.574
  218    HE1  PHE  31           HE2      PHE  31   9.202   1.966   1.966
  219    HE2  PHE  31           HE1      PHE  31  11.376   1.634   1.634
  220    HZ   PHE  31           HZ       PHE  31  10.819   2.907   2.907
  221    H    VAL  32           H        VAL  32   6.596  -3.792  -3.792
  222    HA   VAL  32           HA       VAL  32   5.920  -5.776  -5.776
  223    HB   VAL  32           HB       VAL  32   3.848  -4.858  -4.858
  224   1HG1  VAL  32          1HG1      VAL  32   3.875  -4.403  -4.403
  225   2HG1  VAL  32          3HG1      VAL  32   2.506  -4.036  -4.036
  226   3HG1  VAL  32          2HG1      VAL  32   4.041  -3.161  -3.161
  227   1HG2  VAL  32          1HG2      VAL  32   3.674  -7.254  -7.254
  228   2HG2  VAL  32          3HG2      VAL  32   2.288  -6.373  -6.373
  229   3HG2  VAL  32          2HG2      VAL  32   3.625  -6.902  -6.902
  230    H    HIS  33           H        HIS  33   5.806  -7.927  -7.927
  231    HA   HIS  33           HA       HIS  33   7.322  -8.090  -8.090
  232   1HB   HIS  33          2HB       HIS  33   7.550  -9.532  -9.532
  233   2HB   HIS  33          1HB       HIS  33   6.152 -10.425 -10.425
  234    HD1  HIS  33           HD1      HIS  33   8.098  -9.392  -9.392
  235    HD2  HIS  33           HD2      HIS  33   8.549 -12.497 -12.497
  236    HE1  HIS  33           HE1      HIS  33   9.557 -11.006 -11.006
  237    H    PHE  34           H        PHE  34   6.346  -7.866  -7.866
  238    HA   PHE  34           HA       PHE  34   4.850  -8.344  -8.344
  239   1HB   PHE  34          2HB       PHE  34   3.306 -10.148 -10.148
  240   2HB   PHE  34          1HB       PHE  34   3.427 -10.204 -10.204
  241    HD1  PHE  34           HD1      PHE  34   6.246 -10.211 -10.211
  242    HD2  PHE  34           HD2      PHE  34   4.237 -12.100 -12.100
  243    HE1  PHE  34           HE1      PHE  34   8.064 -11.899 -11.899
  244    HE2  PHE  34           HE2      PHE  34   6.061 -13.783 -13.783
  245    HZ   PHE  34           HZ       PHE  34   7.976 -13.685 -13.685
  246    H    SER  35           H        SER  35   3.804  -7.496  -7.496
  247    HA   SER  35           HA       SER  35   2.413  -5.764  -5.764
  248   1HB   SER  35          2HB       SER  35   2.669  -5.173  -5.173
  249   2HB   SER  35          1HB       SER  35   0.939  -5.560  -5.560
  250    HG   SER  35           HG       SER  35   0.728  -3.603  -3.603
  251    H    ALA  36           H        ALA  36   1.954  -8.683  -8.683
  252    HA   ALA  36           HA       ALA  36   0.194 -10.242 -10.242
  253   1HB   ALA  36          3HB       ALA  36   0.095  -8.887  -8.887
  254   2HB   ALA  36          2HB       ALA  36  -1.033  -7.767  -7.767
  255   3HB   ALA  36          1HB       ALA  36  -1.522  -9.450  -9.450
  256    H    ILE  37           H        ILE  37   0.061  -9.370  -9.370
  257    HA   ILE  37           HA       ILE  37  -2.424  -8.052  -8.052
  258    HB   ILE  37           HB       ILE  37  -1.963  -8.685  -8.685
  259   1HG1  ILE  37          2HG1      ILE  37   0.048 -10.423 -10.423
  260   2HG1  ILE  37          1HG1      ILE  37  -0.826 -10.646 -10.646
  261   1HG2  ILE  37          1HG2      ILE  37   0.350  -7.421  -7.421
  262   2HG2  ILE  37          3HG2      ILE  37   0.096  -7.303  -7.303
  263   3HG2  ILE  37          2HG2      ILE  37  -1.083  -6.593  -6.593
  264   1HD1  ILE  37          1HD1      ILE  37   1.549  -8.767  -8.767
  265   2HD1  ILE  37          3HD1      ILE  37   1.601 -10.346 -10.346
  266   3HD1  ILE  37          2HD1      ILE  37   0.692  -8.997  -8.997
  267    H    GLN  38           H        GLN  38  -3.466  -9.685  -9.685
  268    HA   GLN  38           HA       GLN  38  -3.947 -12.324 -12.324
  269   1HB   GLN  38          2HB       GLN  38  -5.810 -10.166 -10.166
  270   2HB   GLN  38          1HB       GLN  38  -6.322 -11.864 -11.864
  271   1HG   GLN  38          2HG       GLN  38  -5.274 -12.274 -12.274
  272   2HG   GLN  38          1HG       GLN  38  -3.730 -11.810 -11.810
  273   1HE2  GLN  38          1HE2      GLN  38  -4.283  -9.137  -9.137
  274   2HE2  GLN  38          2HE2      GLN  38  -4.404  -8.220  -8.220
  275    H    ASN  39           H        ASN  39  -4.047 -13.032 -13.032
  276    HA   ASN  39           HA       ASN  39  -6.602 -12.779 -12.779
  277   1HB   ASN  39          2HB       ASN  39  -5.049 -10.652 -10.652
  278   2HB   ASN  39          1HB       ASN  39  -4.319 -11.828 -11.828
  279   1HD2  ASN  39          1HD2      ASN  39  -7.176 -10.034 -10.034
  280   2HD2  ASN  39          2HD2      ASN  39  -8.114 -10.280 -10.280
  281    H    ASP  40           H        ASP  40  -6.053 -13.656 -13.656
  282    HA   ASP  40           HA       ASP  40  -5.318 -16.375 -16.375
  283   1HB   ASP  40          2HB       ASP  40  -5.475 -14.628 -14.628
  284   2HB   ASP  40          1HB       ASP  40  -5.095 -16.361 -16.361
  285    H    GLY  41           H        GLY  41  -3.671 -15.062 -15.062
  286   1HA   GLY  41          1HA       GLY  41  -1.130 -16.131 -16.131
  287   2HA   GLY  41          2HA       GLY  41  -1.440 -15.155 -15.155
  288    H    TYR  42           H        TYR  42  -1.160 -14.903 -14.903
  289    HA   TYR  42           HA       TYR  42  -0.719 -12.927 -12.927
  290   1HB   TYR  42          1HB       TYR  42   1.736 -12.207 -12.207
  291   2HB   TYR  42          2HB       TYR  42   1.443 -13.764 -13.764
  292    HD1  TYR  42           HD1      TYR  42   2.244 -12.100 -12.100
  293    HD2  TYR  42           HD2      TYR  42   1.735 -15.867 -15.867
  294    HE1  TYR  42           HE1      TYR  42   3.314 -13.284 -13.284
  295    HE2  TYR  42           HE2      TYR  42   2.805 -17.050 -17.050
  296    HH   TYR  42           HH       TYR  42   3.567 -16.851 -16.851
  297    H    LYS  43           H        LYS  43  -2.569 -12.185 -12.185
  298    HA   LYS  43           HA       LYS  43  -3.032 -10.610 -10.610
  299   1HB   LYS  43          2HB       LYS  43  -3.529  -9.887  -9.887
  300   2HB   LYS  43          1HB       LYS  43  -2.238  -8.698  -8.698
  301   1HG   LYS  43          2HG       LYS  43  -4.543  -7.829  -7.829
  302   2HG   LYS  43          1HG       LYS  43  -3.434  -7.758  -7.758
  303   1HD   LYS  43          2HD       LYS  43  -4.910 -10.304 -10.304
  304   2HD   LYS  43          1HD       LYS  43  -5.981  -8.898  -8.898
  305   1HE   LYS  43          2HE       LYS  43  -3.642  -8.792  -8.792
  306   2HE   LYS  43          1HE       LYS  43  -4.660 -10.218 -10.218
  307   1HZ   LYS  43          1HZ       LYS  43  -5.593  -7.415  -7.415
  308   2HZ   LYS  43          3HZ       LYS  43  -5.371  -8.334  -8.334
  309   3HZ   LYS  43          2HZ       LYS  43  -6.551  -8.742  -8.742
  310    H    SER  44           H        SER  44  -1.649  -7.785  -7.785
  311    HA   SER  44           HA       SER  44   1.054  -8.103  -8.103
  312   1HB   SER  44          2HB       SER  44  -0.999  -8.008  -8.008
  313   2HB   SER  44          1HB       SER  44   0.240  -6.746  -6.746
  314    HG   SER  44           HG       SER  44   1.814  -8.346  -8.346
  315    H    LEU  45           H        LEU  45   2.034  -5.909  -5.909
  316    HA   LEU  45           HA       LEU  45   0.350  -3.700  -3.700
  317   1HB   LEU  45          2HB       LEU  45   3.078  -4.455  -4.455
  318   2HB   LEU  45          1HB       LEU  45   2.340  -2.863  -2.863
  319    HG   LEU  45           HG       LEU  45   1.308  -5.536  -5.536
  320   1HD1  LEU  45          1HD1      LEU  45   2.555  -3.252  -3.252
  321   2HD1  LEU  45          3HD1      LEU  45   1.800  -4.703  -4.703
  322   3HD1  LEU  45          2HD1      LEU  45   3.257  -4.854  -4.854
  323   1HD2  LEU  45          1HD2      LEU  45  -0.561  -4.024  -4.024
  324   2HD2  LEU  45          3HD2      LEU  45  -0.400  -4.235  -4.235
  325   3HD2  LEU  45          2HD2      LEU  45   0.175  -2.747  -2.747
  326    H    ASP  46           H        ASP  46   0.777  -1.668  -1.668
  327    HA   ASP  46           HA       ASP  46   2.753  -1.756  -1.756
  328   1HB   ASP  46          2HB       ASP  46   1.326  -0.113  -0.113
  329   2HB   ASP  46          1HB       ASP  46   0.454  -1.626  -1.626
  330    H    GLU  47           H        GLU  47   3.144  -0.991  -0.991
  331    HA   GLU  47           HA       GLU  47   3.867   0.762   0.762
  332   1HB   GLU  47          2HB       GLU  47   5.713   2.087   2.087
  333   2HB   GLU  47          1HB       GLU  47   5.885   0.326   0.326
  334   1HG   GLU  47          2HG       GLU  47   5.012   0.406   0.406
  335   2HG   GLU  47          1HG       GLU  47   4.682   2.142   2.142
  336    H    GLY  48           H        GLY  48   1.341   1.368   1.368
  337   1HA   GLY  48          1HA       GLY  48   0.971   4.044   4.044
  338   2HA   GLY  48          2HA       GLY  48   1.114   3.924   3.924
  339    H    GLN  49           H        GLN  49  -0.558   2.380   2.380
  340    HA   GLN  49           HA       GLN  49  -3.072   2.519   2.519
  341   1HB   GLN  49          2HB       GLN  49  -3.605   0.110   0.110
  342   2HB   GLN  49          1HB       GLN  49  -2.300   0.355   0.355
  343   1HG   GLN  49          2HG       GLN  49  -0.622  -0.232  -0.232
  344   2HG   GLN  49          1HG       GLN  49  -1.780  -0.128  -0.128
  345   1HE2  GLN  49          1HE2      GLN  49  -3.049  -1.815  -1.815
  346   2HE2  GLN  49          2HE2      GLN  49  -3.000  -3.393  -3.393
  347    H    LYS  50           H        LYS  50  -4.902   2.562   2.562
  348    HA   LYS  50           HA       LYS  50  -4.248   3.229   3.229
  349   1HB   LYS  50          2HB       LYS  50  -5.955   4.390   4.390
  350   2HB   LYS  50          1HB       LYS  50  -7.026   3.017   3.017
  351   1HG   LYS  50          2HG       LYS  50  -7.492   3.798   3.798
  352   2HG   LYS  50          1HG       LYS  50  -5.777   4.086   4.086
  353   1HD   LYS  50          2HD       LYS  50  -5.996   6.303   6.303
  354   2HD   LYS  50          1HD       LYS  50  -6.812   6.000   6.000
  355   1HE   LYS  50          2HE       LYS  50  -8.172   7.274   7.274
  356   2HE   LYS  50          1HE       LYS  50  -8.958   5.836   5.836
  357   1HZ   LYS  50          1HZ       LYS  50  -7.490   5.959   5.959
  358   2HZ   LYS  50          3HZ       LYS  50  -9.150   5.927   5.927
  359   3HZ   LYS  50          2HZ       LYS  50  -8.236   4.611   4.611
  360    H    VAL  51           H        VAL  51  -4.520   1.995   1.995
  361    HA   VAL  51           HA       VAL  51  -6.128  -0.445  -0.445
  362    HB   VAL  51           HB       VAL  51  -4.492  -1.983  -1.983
  363   1HG1  VAL  51          1HG1      VAL  51  -3.253   0.043   0.043
  364   2HG1  VAL  51          3HG1      VAL  51  -2.790  -1.678  -1.678
  365   3HG1  VAL  51          2HG1      VAL  51  -4.421  -1.226  -1.226
  366   1HG2  VAL  51          1HG2      VAL  51  -3.255  -0.827  -0.827
  367   2HG2  VAL  51          3HG2      VAL  51  -2.121  -1.460  -1.460
  368   3HG2  VAL  51          2HG2      VAL  51  -2.520   0.268   0.268
  369    H    SER  52           H        SER  52  -5.543  -1.668  -1.668
  370    HA   SER  52           HA       SER  52  -5.556   0.507   0.507
  371   1HB   SER  52          2HB       SER  52  -7.725  -1.308  -1.308
  372   2HB   SER  52          1HB       SER  52  -7.207  -1.547  -1.547
  373    HG   SER  52           HG       SER  52  -7.876   0.975   0.975
  374    H    PHE  53           H        PHE  53  -5.391  -0.603  -0.603
  375    HA   PHE  53           HA       PHE  53  -3.748  -3.081  -3.081
  376   1HB   PHE  53          2HB       PHE  53  -2.138  -1.507  -1.507
  377   2HB   PHE  53          1HB       PHE  53  -1.838  -1.933  -1.933
  378    HD1  PHE  53           HD1      PHE  53  -2.607  -0.319  -0.319
  379    HD2  PHE  53           HD2      PHE  53  -2.422   0.792   0.792
  380    HE1  PHE  53           HE1      PHE  53  -2.584   2.082   2.082
  381    HE2  PHE  53           HE2      PHE  53  -2.399   3.192   3.192
  382    HZ   PHE  53           HZ       PHE  53  -2.481   3.842   3.842
  383    H    THR  54           H        THR  54  -3.031  -3.481  -3.481
  384    HA   THR  54           HA       THR  54  -5.267  -2.603  -2.603
  385    HB   THR  54           HB       THR  54  -5.675  -4.952  -4.952
  386    HG1  THR  54           HG1      THR  54  -5.620  -5.588  -5.588
  387   1HG2  THR  54          2HG2      THR  54  -2.682  -5.107  -5.107
  388   2HG2  THR  54          1HG2      THR  54  -3.670  -6.475  -6.475
  389   3HG2  THR  54          3HG2      THR  54  -3.671  -6.027  -6.027
  390    H    ILE  55           H        ILE  55  -2.576  -1.386  -1.386
  391    HA   ILE  55           HA       ILE  55  -0.883  -0.531  -0.531
  392    HB   ILE  55           HB       ILE  55  -2.719  -1.312  -1.312
  393   1HG1  ILE  55          2HG1      ILE  55  -2.093   1.539   1.539
  394   2HG1  ILE  55          1HG1      ILE  55  -2.898   0.690   0.690
  395   1HG2  ILE  55          1HG2      ILE  55  -0.126   0.269   0.269
  396   2HG2  ILE  55          3HG2      ILE  55  -1.368   0.129   0.129
  397   3HG2  ILE  55          2HG2      ILE  55  -0.485  -1.309  -1.309
  398   1HD1  ILE  55          1HD1      ILE  55  -3.879   0.809   0.809
  399   2HD1  ILE  55          3HD1      ILE  55  -4.542   1.737   1.737
  400   3HD1  ILE  55          2HD1      ILE  55  -4.700  -0.029  -0.029
  401    H    GLU  56           H        GLU  56   1.029  -1.081  -1.081
  402    HA   GLU  56           HA       GLU  56   1.404  -3.635  -3.635
  403   1HB   GLU  56          2HB       GLU  56   1.626  -3.591  -3.591
  404   2HB   GLU  56          1HB       GLU  56   3.171  -4.040  -4.040
  405   1HG   GLU  56          2HG       GLU  56   0.891  -5.354  -5.354
  406   2HG   GLU  56          1HG       GLU  56   0.953  -5.712  -5.712
  407    H    SER  57           H        SER  57   3.916  -4.109  -4.109
  408    HA   SER  57           HA       SER  57   5.540  -1.691  -1.691
  409   1HB   SER  57          2HB       SER  57   4.865  -1.014  -1.014
  410   2HB   SER  57          1HB       SER  57   4.437  -2.657  -2.657
  411    HG   SER  57           HG       SER  57   6.690  -1.273  -1.273
  412    H    GLY  58           H        GLY  58   7.669  -2.217  -2.217
  413   1HA   GLY  58          1HA       GLY  58   8.379  -5.108  -5.108
  414   2HA   GLY  58          2HA       GLY  58   9.046  -4.030  -4.030
  415    H    ALA  59           H        ALA  59  11.007  -3.110  -3.110
  416    HA   ALA  59           HA       ALA  59  11.890  -2.976  -2.976
  417   1HB   ALA  59          3HB       ALA  59  13.180  -4.586  -4.586
  418   2HB   ALA  59          2HB       ALA  59  13.524  -3.261  -3.261
  419   3HB   ALA  59          1HB       ALA  59  14.186  -3.204  -3.204
  420    H    LYS  60           H        LYS  60  13.142  -1.649  -1.649
  421    HA   LYS  60           HA       LYS  60  13.188   0.991   0.991
  422   1HB   LYS  60          2HB       LYS  60  15.328   0.533   0.533
  423   2HB   LYS  60          1HB       LYS  60  14.765  -0.258  -0.258
  424   1HG   LYS  60          2HG       LYS  60  14.577   1.730   1.730
  425   2HG   LYS  60          1HG       LYS  60  14.012   2.608   2.608
  426   1HD   LYS  60          2HD       LYS  60  16.889   1.686   1.686
  427   2HD   LYS  60          1HD       LYS  60  16.309   3.281   3.281
  428   1HE   LYS  60          2HE       LYS  60  16.527   4.065   4.065
  429   2HE   LYS  60          1HE       LYS  60  15.454   2.790   2.790
  430   1HZ   LYS  60          1HZ       LYS  60  18.357   2.525   2.525
  431   2HZ   LYS  60          3HZ       LYS  60  17.625   2.698   2.698
  432   3HZ   LYS  60          2HZ       LYS  60  17.365   1.329   1.329
  433    H    GLY  61           H        GLY  61  10.809   1.167   1.167
  434   1HA   GLY  61          1HA       GLY  61   9.526   2.830   2.830
  435   2HA   GLY  61          2HA       GLY  61  10.056   1.947   1.947
  436    HA   PRO  62           HA       PRO  62   6.216   0.023   0.023
  437   1HB   PRO  62          2HB       PRO  62   4.169   1.548   1.548
  438   2HB   PRO  62          1HB       PRO  62   4.779   1.824   1.824
  439   1HG   PRO  62          2HG       PRO  62   5.215   3.377   3.377
  440   2HG   PRO  62          1HG       PRO  62   5.451   3.842   3.842
  441   1HD   PRO  62          2HD       PRO  62   7.467   3.152   3.152
  442   2HD   PRO  62          1HD       PRO  62   7.677   3.517   3.517
  443    H    ALA  63           H        ALA  63   5.465  -1.785  -1.785
  444    HA   ALA  63           HA       ALA  63   5.813  -2.020  -2.020
  445   1HB   ALA  63          3HB       ALA  63   6.755  -3.767  -3.767
  446   2HB   ALA  63          2HB       ALA  63   5.118  -4.074  -4.074
  447   3HB   ALA  63          1HB       ALA  63   5.503  -4.446  -4.446
  448    H    ALA  64           H        ALA  64   4.100  -3.416  -3.416
  449    HA   ALA  64           HA       ALA  64   1.374  -2.483  -2.483
  450   1HB   ALA  64          3HB       ALA  64   2.196  -1.735  -1.735
  451   2HB   ALA  64          2HB       ALA  64   2.434  -3.435  -3.435
  452   3HB   ALA  64          1HB       ALA  64   0.796  -2.834  -2.834
  453    H    GLY  65           H        GLY  65  -0.396  -4.044  -4.044
  454   1HA   GLY  65          1HA       GLY  65   0.306  -6.852  -6.852
  455   2HA   GLY  65          2HA       GLY  65  -0.338  -6.456  -6.456
  456    H    ASN  66           H        ASN  66  -1.566  -8.155  -8.155
  457    HA   ASN  66           HA       ASN  66  -3.523  -8.387  -8.387
  458   1HB   ASN  66          2HB       ASN  66  -4.119  -7.839  -7.839
  459   2HB   ASN  66          1HB       ASN  66  -4.961  -6.495  -6.495
  460   1HD2  ASN  66          1HD2      ASN  66  -5.376  -9.449  -9.449
  461   2HD2  ASN  66          2HD2      ASN  66  -6.674 -10.093 -10.093
  462    H    VAL  67           H        VAL  67  -2.031  -6.604  -6.604
  463    HA   VAL  67           HA       VAL  67  -3.541  -4.114  -4.114
  464    HB   VAL  67           HB       VAL  67  -1.438  -4.796  -4.796
  465   1HG1  VAL  67          1HG1      VAL  67  -1.926  -2.417  -2.417
  466   2HG1  VAL  67          3HG1      VAL  67  -0.656  -2.506  -2.506
  467   3HG1  VAL  67          2HG1      VAL  67  -2.369  -2.533  -2.533
  468   1HG2  VAL  67          1HG2      VAL  67  -0.522  -5.944  -5.944
  469   2HG2  VAL  67          3HG2      VAL  67   0.408  -4.458  -4.458
  470   3HG2  VAL  67          2HG2      VAL  67  -0.772  -4.495  -4.495
  471    H    THR  68           H        THR  68  -5.526  -4.471  -4.471
  472    HA   THR  68           HA       THR  68  -5.727  -6.334  -6.334
  473    HB   THR  68           HB       THR  68  -7.676  -6.633  -6.633
  474    HG1  THR  68           HG1      THR  68  -7.955  -5.398  -5.398
  475   1HG2  THR  68          2HG2      THR  68  -7.095  -3.776  -3.776
  476   2HG2  THR  68          1HG2      THR  68  -8.785  -4.312  -4.312
  477   3HG2  THR  68          3HG2      THR  68  -7.583  -5.154  -5.154
  478    H    SER  69           H        SER  69  -5.476  -5.707  -5.707
  479    HA   SER  69           HA       SER  69  -5.085  -2.910  -2.910
  480   1HB   SER  69          2HB       SER  69  -4.738  -3.659  -3.659
  481   2HB   SER  69          1HB       SER  69  -3.836  -4.688  -4.688
  482    HG   SER  69           HG       SER  69  -5.597  -6.212  -6.212
  483    H    LEU  70           H        LEU  70  -6.468  -1.451  -1.451
  484    HA   LEU  70           HA       LEU  70  -9.196  -2.493  -2.493
  485   1HB   LEU  70          2HB       LEU  70  -8.256   0.003   0.003
  486   2HB   LEU  70          1HB       LEU  70  -9.827  -0.036  -0.036
  487    HG   LEU  70           HG       LEU  70  -8.959  -1.924  -1.924
  488   1HD1  LEU  70          1HD1      LEU  70 -10.675   0.579   0.579
  489   2HD1  LEU  70          3HD1      LEU  70 -10.441  -0.637  -0.637
  490   3HD1  LEU  70          2HD1      LEU  70  -9.064   0.318   0.318
  491   1HD2  LEU  70          1HD2      LEU  70 -10.720  -2.850  -2.850
  492   2HD2  LEU  70          3HD2      LEU  70 -11.389  -2.465  -2.465
  493   3HD2  LEU  70          2HD2      LEU  70 -11.712  -1.395  -1.395

  Start of MODEL    8
    1    H    SER   2           H        SER   2 -10.793   2.037   2.037
    2    HA   SER   2           HA       SER   2 -12.414   0.239   0.239
    3   1HB   SER   2          2HB       SER   2 -11.067   1.970   1.970
    4   2HB   SER   2          1HB       SER   2 -11.906   0.573   0.573
    5    HG   SER   2           HG       SER   2 -13.115   2.680   2.680
    6    H    GLY   3           H        GLY   3  -9.120  -0.078  -0.078
    7   1HA   GLY   3          1HA       GLY   3  -8.344  -2.537  -2.537
    8   2HA   GLY   3          2HA       GLY   3  -9.721  -2.928  -2.928
    9    H    LYS   4           H        LYS   4  -9.784  -1.600  -1.600
   10    HA   LYS   4           HA       LYS   4  -7.004  -1.505  -1.505
   11   1HB   LYS   4          2HB       LYS   4  -9.587  -2.420  -2.420
   12   2HB   LYS   4          1HB       LYS   4  -8.344  -1.744  -1.744
   13   1HG   LYS   4          2HG       LYS   4  -6.757  -3.416  -3.416
   14   2HG   LYS   4          1HG       LYS   4  -7.718  -3.901  -3.901
   15   1HD   LYS   4          2HD       LYS   4  -8.327  -4.371  -4.371
   16   2HD   LYS   4          1HD       LYS   4  -8.016  -5.592  -5.592
   17   1HE   LYS   4          2HE       LYS   4 -10.461  -3.834  -3.834
   18   2HE   LYS   4          1HE       LYS   4 -10.378  -5.603  -5.603
   19   1HZ   LYS   4          1HZ       LYS   4  -9.816  -3.700  -3.700
   20   2HZ   LYS   4          3HZ       LYS   4 -11.207  -4.609  -4.609
   21   3HZ   LYS   4          2HZ       LYS   4  -9.754  -5.355  -5.355
   22    H    MET   5           H        MET   5  -6.581   0.135   0.135
   23    HA   MET   5           HA       MET   5  -8.402   2.461   2.461
   24   1HB   MET   5          2HB       MET   5  -6.174   3.852   3.852
   25   2HB   MET   5          1HB       MET   5  -7.125   3.269   3.269
   26   1HG   MET   5          2HG       MET   5  -5.055   1.395   1.395
   27   2HG   MET   5          1HG       MET   5  -4.443   2.852   2.852
   28   1HE   MET   5          1HE       MET   5  -4.469   3.268   3.268
   29   2HE   MET   5          3HE       MET   5  -4.440   1.816   1.816
   30   3HE   MET   5          2HE       MET   5  -3.375   1.922   1.922
   31    H    THR   6           H        THR   6  -7.450   4.219   4.219
   32    HA   THR   6           HA       THR   6  -6.992   2.992   2.992
   33    HB   THR   6           HB       THR   6  -6.857   5.342   5.342
   34    HG1  THR   6           HG1      THR   6  -5.447   6.202   6.202
   35   1HG2  THR   6          2HG2      THR   6  -8.738   4.702   4.702
   36   2HG2  THR   6          1HG2      THR   6  -8.597   6.399   6.399
   37   3HG2  THR   6          3HG2      THR   6  -9.150   5.186   5.186
   38    H    GLY   7           H        GLY   7  -5.076   3.346   3.346
   39   1HA   GLY   7          1HA       GLY   7  -2.544   4.182   4.182
   40   2HA   GLY   7          2HA       GLY   7  -2.658   2.486   2.486
   41    H    ILE   8           H        ILE   8  -2.061   4.663   4.663
   42    HA   ILE   8           HA       ILE   8  -2.726   2.765   2.765
   43    HB   ILE   8           HB       ILE   8  -2.428   4.403   4.403
   44   1HG1  ILE   8          2HG1      ILE   8  -0.182   5.578   5.578
   45   2HG1  ILE   8          1HG1      ILE   8   0.020   4.518   4.518
   46   1HG2  ILE   8          1HG2      ILE   8  -2.605   5.990   5.990
   47   2HG2  ILE   8          3HG2      ILE   8  -2.971   6.632   6.632
   48   3HG2  ILE   8          2HG2      ILE   8  -3.957   5.325   5.325
   49   1HD1  ILE   8          1HD1      ILE   8  -1.293   7.283   7.283
   50   2HD1  ILE   8          3HD1      ILE   8   0.346   6.896   6.896
   51   3HD1  ILE   8          2HD1      ILE   8  -1.082   6.237   6.237
   52    H    VAL   9           H        VAL   9  -1.382   1.304   1.304
   53    HA   VAL   9           HA       VAL   9   1.133   0.749   0.749
   54    HB   VAL   9           HB       VAL   9  -0.593  -0.844  -0.844
   55   1HG1  VAL   9          1HG1      VAL   9   0.999  -0.224  -0.224
   56   2HG1  VAL   9          3HG1      VAL   9  -0.133  -1.590  -1.590
   57   3HG1  VAL   9          2HG1      VAL   9  -0.730   0.080   0.080
   58   1HG2  VAL   9          1HG2      VAL   9   1.537  -1.587  -1.587
   59   2HG2  VAL   9          3HG2      VAL   9   1.156  -2.552  -2.552
   60   3HG2  VAL   9          2HG2      VAL   9   2.378  -1.267  -1.267
   61    H    LYS  10           H        LYS  10   3.149   1.436   1.436
   62    HA   LYS  10           HA       LYS  10   3.382   3.336   3.336
   63   1HB   LYS  10          2HB       LYS  10   4.807   2.689   2.689
   64   2HB   LYS  10          1HB       LYS  10   5.948   2.612   2.612
   65   1HG   LYS  10          2HG       LYS  10   5.076   4.876   4.876
   66   2HG   LYS  10          1HG       LYS  10   4.129   4.935   4.935
   67   1HD   LYS  10          2HD       LYS  10   6.267   4.681   4.681
   68   2HD   LYS  10          1HD       LYS  10   7.164   4.734   4.734
   69   1HE   LYS  10          2HE       LYS  10   6.708   7.005   7.005
   70   2HE   LYS  10          1HE       LYS  10   5.221   6.952   6.952
   71   1HZ   LYS  10          1HZ       LYS  10   7.976   6.757   6.757
   72   2HZ   LYS  10          3HZ       LYS  10   6.986   8.101   8.101
   73   3HZ   LYS  10          2HZ       LYS  10   6.589   6.724   6.724
   74    H    TRP  11           H        TRP  11   5.747   0.696   0.696
   75    HA   TRP  11           HA       TRP  11   5.191  -0.376  -0.376
   76   1HB   TRP  11          2HB       TRP  11   8.046  -0.183  -0.183
   77   2HB   TRP  11          1HB       TRP  11   7.092   0.230   0.230
   78    HD1  TRP  11           HD1      TRP  11   8.261   1.918   1.918
   79    HE1  TRP  11           HE1      TRP  11   8.292   4.340   4.340
   80    HE3  TRP  11           HE3      TRP  11   6.218   2.111   2.111
   81    HZ2  TRP  11           HZ2      TRP  11   7.488   6.332   6.332
   82    HZ3  TRP  11           HZ3      TRP  11   5.905   4.377   4.377
   83    HH2  TRP  11           HH2      TRP  11   6.499   6.400   6.400
   84    H    PHE  12           H        PHE  12   6.327  -2.523  -2.523
   85    HA   PHE  12           HA       PHE  12   6.932  -3.923  -3.923
   86   1HB   PHE  12          2HB       PHE  12   5.354  -5.521  -5.521
   87   2HB   PHE  12          1HB       PHE  12   4.502  -4.154  -4.154
   88    HD1  PHE  12           HD1      PHE  12   5.561  -3.826  -3.826
   89    HD2  PHE  12           HD2      PHE  12   4.775  -7.464  -7.464
   90    HE1  PHE  12           HE1      PHE  12   5.266  -5.058  -5.058
   91    HE2  PHE  12           HE2      PHE  12   4.482  -8.691  -8.691
   92    HZ   PHE  12           HZ       PHE  12   4.727  -7.491  -7.491
   93    H    ASN  13           H        ASN  13   8.217  -5.869  -5.869
   94    HA   ASN  13           HA       ASN  13   9.312  -6.445  -6.445
   95   1HB   ASN  13          2HB       ASN  13  11.023  -4.928  -4.928
   96   2HB   ASN  13          1HB       ASN  13  10.775  -4.777  -4.777
   97   1HD2  ASN  13          1HD2      ASN  13  12.572  -6.146  -6.146
   98   2HD2  ASN  13          2HD2      ASN  13  13.636  -7.203  -7.203
   99    H    ALA  14           H        ALA  14  10.227  -8.513  -8.513
  100    HA   ALA  14           HA       ALA  14  10.126 -10.053 -10.053
  101   1HB   ALA  14          3HB       ALA  14   8.483 -10.759 -10.759
  102   2HB   ALA  14          2HB       ALA  14   9.833 -10.981 -10.981
  103   3HB   ALA  14          1HB       ALA  14   9.712 -12.016 -12.016
  104    H    ASP  15           H        ASP  15  12.438  -8.546  -8.546
  105    HA   ASP  15           HA       ASP  15  14.381 -10.723 -10.723
  106   1HB   ASP  15          2HB       ASP  15  13.775  -9.406  -9.406
  107   2HB   ASP  15          1HB       ASP  15  14.952  -8.270  -8.270
  108    H    LYS  16           H        LYS  16  14.277  -7.093  -7.093
  109    HA   LYS  16           HA       LYS  16  16.578  -6.652  -6.652
  110   1HB   LYS  16          2HB       LYS  16  16.031  -4.459  -4.459
  111   2HB   LYS  16          1HB       LYS  16  14.835  -5.066  -5.066
  112   1HG   LYS  16          2HG       LYS  16  13.109  -5.085  -5.085
  113   2HG   LYS  16          1HG       LYS  16  14.297  -4.716  -4.716
  114   1HD   LYS  16          2HD       LYS  16  13.792  -2.869  -2.869
  115   2HD   LYS  16          1HD       LYS  16  12.844  -2.765  -2.765
  116   1HE   LYS  16          2HE       LYS  16  15.612  -2.883  -2.883
  117   2HE   LYS  16          1HE       LYS  16  15.465  -1.691  -1.691
  118   1HZ   LYS  16          1HZ       LYS  16  13.857  -1.749  -1.749
  119   2HZ   LYS  16          3HZ       LYS  16  15.125  -0.713  -0.713
  120   3HZ   LYS  16          2HZ       LYS  16  13.723  -0.620  -0.620
  121    H    GLY  17           H        GLY  17  13.183  -6.950  -6.950
  122   1HA   GLY  17          1HA       GLY  17  13.414  -8.464  -8.464
  123   2HA   GLY  17          2HA       GLY  17  14.175  -6.980  -6.980
  124    H    PHE  18           H        PHE  18  11.434  -7.419  -7.419
  125    HA   PHE  18           HA       PHE  18   9.128  -6.959  -6.959
  126   1HB   PHE  18          2HB       PHE  18   9.654  -5.741  -5.741
  127   2HB   PHE  18          1HB       PHE  18   8.236  -6.585  -6.585
  128    HD1  PHE  18           HD2      PHE  18  10.012  -8.974  -8.974
  129    HD2  PHE  18           HD1      PHE  18   9.665  -7.095  -7.095
  130    HE1  PHE  18           HE2      PHE  18  10.760 -11.078 -11.078
  131    HE2  PHE  18           HE1      PHE  18  10.414  -9.201  -9.201
  132    HZ   PHE  18           HZ       PHE  18  10.962 -11.195 -11.195
  133    H    GLY  19           H        GLY  19   7.967  -4.675  -4.675
  134   1HA   GLY  19          1HA       GLY  19   9.563  -2.411  -2.411
  135   2HA   GLY  19          2HA       GLY  19   7.886  -2.682  -2.682
  136    H    PHE  20           H        PHE  20   7.439  -0.502  -0.502
  137    HA   PHE  20           HA       PHE  20   6.913  -0.630  -0.630
  138   1HB   PHE  20          2HB       PHE  20   7.871   1.912   1.912
  139   2HB   PHE  20          1HB       PHE  20   7.886   1.419   1.419
  140    HD1  PHE  20           HD1      PHE  20   9.466   0.395   0.395
  141    HD2  PHE  20           HD2      PHE  20   9.895   0.782   0.782
  142    HE1  PHE  20           HE1      PHE  20  11.844  -0.301  -0.301
  143    HE2  PHE  20           HE2      PHE  20  12.274   0.085   0.085
  144    HZ   PHE  20           HZ       PHE  20  13.251  -0.457  -0.457
  145    H    ILE  21           H        ILE  21   5.218   0.901   0.901
  146    HA   ILE  21           HA       ILE  21   3.410   1.492   1.492
  147    HB   ILE  21           HB       ILE  21   2.977   0.368   0.368
  148   1HG1  ILE  21          2HG1      ILE  21   2.417  -0.277  -0.277
  149   2HG1  ILE  21          1HG1      ILE  21   2.448  -1.340  -1.340
  150   1HG2  ILE  21          1HG2      ILE  21   0.904   2.137   2.137
  151   2HG2  ILE  21          3HG2      ILE  21   0.582   1.048   1.048
  152   3HG2  ILE  21          2HG2      ILE  21   1.687   2.422   2.422
  153   1HD1  ILE  21          1HD1      ILE  21   0.103   0.430   0.430
  154   2HD1  ILE  21          3HD1      ILE  21   0.218  -1.339  -1.339
  155   3HD1  ILE  21          2HD1      ILE  21   0.118  -0.644  -0.644
  156    H    THR  22           H        THR  22   1.788   3.357   3.357
  157    HA   THR  22           HA       THR  22   3.124   5.415   5.415
  158    HB   THR  22           HB       THR  22   2.840   5.490   5.490
  159    HG1  THR  22           HG1      THR  22   4.819   5.416   5.416
  160   1HG2  THR  22          2HG2      THR  22   2.046   7.697   7.697
  161   2HG2  THR  22          1HG2      THR  22   3.121   8.127   8.127
  162   3HG2  THR  22          3HG2      THR  22   1.516   7.454   7.454
  163    HA   PRO  23           HA       PRO  23  -1.212   5.529   5.529
  164   1HB   PRO  23          2HB       PRO  23  -0.783   6.987   6.987
  165   2HB   PRO  23          1HB       PRO  23  -0.705   5.216   5.216
  166   1HG   PRO  23          2HG       PRO  23   1.462   7.186   7.186
  167   2HG   PRO  23          1HG       PRO  23   1.467   5.437   5.437
  168   1HD   PRO  23          2HD       PRO  23   2.579   6.817   6.817
  169   2HD   PRO  23          1HD       PRO  23   2.482   5.064   5.064
  170    H    ASP  24           H        ASP  24  -2.688   7.455   7.455
  171    HA   ASP  24           HA       ASP  24  -3.084   9.279   9.279
  172   1HB   ASP  24          2HB       ASP  24  -3.183  10.388  10.388
  173   2HB   ASP  24          1HB       ASP  24  -4.380  10.489  10.489
  174    H    ASP  25           H        ASP  25  -0.639   9.491   9.491
  175    HA   ASP  25           HA       ASP  25   1.137  11.091  11.091
  176   1HB   ASP  25          2HB       ASP  25  -0.565  12.855  12.855
  177   2HB   ASP  25          1HB       ASP  25  -0.516  12.592  12.592
  178    H    GLY  26           H        GLY  26   0.912  12.468  12.468
  179   1HA   GLY  26          1HA       GLY  26   2.053  12.102  12.102
  180   2HA   GLY  26          2HA       GLY  26   1.994  10.363  10.363
  181    H    SER  27           H        SER  27   3.352  10.508  10.508
  182    HA   SER  27           HA       SER  27   5.437  11.096  11.096
  183   1HB   SER  27          2HB       SER  27   5.717  12.802  12.802
  184   2HB   SER  27          1HB       SER  27   6.562  11.494  11.494
  185    HG   SER  27           HG       SER  27   8.252  12.095  12.095
  186    H    LYS  28           H        LYS  28   7.409   9.777   9.777
  187    HA   LYS  28           HA       LYS  28   8.656   7.905   7.905
  188   1HB   LYS  28          2HB       LYS  28   7.025   7.114   7.114
  189   2HB   LYS  28          1HB       LYS  28   8.673   6.616   6.616
  190   1HG   LYS  28          2HG       LYS  28   9.022   9.302   9.302
  191   2HG   LYS  28          1HG       LYS  28   7.675   9.170   9.170
  192   1HD   LYS  28          2HD       LYS  28   9.348   7.117   7.117
  193   2HD   LYS  28          1HD       LYS  28  10.510   8.341   8.341
  194   1HE   LYS  28          2HE       LYS  28   8.420   8.522   8.522
  195   2HE   LYS  28          1HE       LYS  28  10.160   8.860   8.860
  196   1HZ   LYS  28          1HZ       LYS  28   8.168  10.456  10.456
  197   2HZ   LYS  28          3HZ       LYS  28   8.854  10.861  10.861
  198   3HZ   LYS  28          2HZ       LYS  28   9.792  10.788  10.788
  199    H    ASP  29           H        ASP  29   7.963   5.239   5.239
  200    HA   ASP  29           HA       ASP  29   5.399   4.699   4.699
  201   1HB   ASP  29          2HB       ASP  29   6.815   3.084   3.084
  202   2HB   ASP  29          1HB       ASP  29   6.490   4.761   4.761
  203    H    VAL  30           H        VAL  30   4.593   2.686   2.686
  204    HA   VAL  30           HA       VAL  30   6.214   1.226   1.226
  205    HB   VAL  30           HB       VAL  30   3.925  -0.053  -0.053
  206   1HG1  VAL  30          1HG1      VAL  30   4.395   2.718   2.718
  207   2HG1  VAL  30          3HG1      VAL  30   3.182   1.542   1.542
  208   3HG1  VAL  30          2HG1      VAL  30   4.913   1.168   1.168
  209   1HG2  VAL  30          1HG2      VAL  30   2.887   1.104   1.104
  210   2HG2  VAL  30          3HG2      VAL  30   2.015   1.497   1.497
  211   3HG2  VAL  30          2HG2      VAL  30   3.131   2.675   2.675
  212    H    PHE  31           H        PHE  31   7.350  -0.562  -0.562
  213    HA   PHE  31           HA       PHE  31   7.725  -1.629  -1.629
  214   1HB   PHE  31          2HB       PHE  31   7.919  -2.694  -2.694
  215   2HB   PHE  31          1HB       PHE  31   7.945  -3.863  -3.863
  216    HD1  PHE  31           HD2      PHE  31   9.557  -0.526  -0.526
  217    HD2  PHE  31           HD1      PHE  31  10.029  -4.516  -4.516
  218    HE1  PHE  31           HE2      PHE  31  11.973  -0.090  -0.090
  219    HE2  PHE  31           HE1      PHE  31  12.443  -4.073  -4.073
  220    HZ   PHE  31           HZ       PHE  31  13.418  -1.861  -1.861
  221    H    VAL  32           H        VAL  32   6.902  -3.472  -3.472
  222    HA   VAL  32           HA       VAL  32   4.402  -4.664  -4.664
  223    HB   VAL  32           HB       VAL  32   3.350  -2.827  -2.827
  224   1HG1  VAL  32          1HG1      VAL  32   5.292  -2.787  -2.787
  225   2HG1  VAL  32          3HG1      VAL  32   3.920  -1.668  -1.668
  226   3HG1  VAL  32          2HG1      VAL  32   5.271  -1.661  -1.661
  227   1HG2  VAL  32          1HG2      VAL  32   2.407  -4.858  -4.858
  228   2HG2  VAL  32          3HG2      VAL  32   2.272  -3.488  -3.488
  229   3HG2  VAL  32          2HG2      VAL  32   3.523  -4.726  -4.726
  230    H    HIS  33           H        HIS  33   3.857  -6.573  -6.573
  231    HA   HIS  33           HA       HIS  33   5.600  -7.272  -7.272
  232   1HB   HIS  33          2HB       HIS  33   6.948  -7.859  -7.859
  233   2HB   HIS  33          1HB       HIS  33   5.637  -8.905  -8.905
  234    HD1  HIS  33           HD1      HIS  33   5.894 -11.422 -11.422
  235    HD2  HIS  33           HD2      HIS  33   7.953  -8.840  -8.840
  236    HE1  HIS  33           HE1      HIS  33   7.014 -12.812 -12.812
  237    H    PHE  34           H        PHE  34   4.881  -9.315  -9.315
  238    HA   PHE  34           HA       PHE  34   2.028  -9.435  -9.435
  239   1HB   PHE  34          2HB       PHE  34   2.438 -11.226 -11.226
  240   2HB   PHE  34          1HB       PHE  34   3.750 -10.081 -10.081
  241    HD1  PHE  34           HD2      PHE  34   2.961 -13.229 -13.229
  242    HD2  PHE  34           HD1      PHE  34   5.976 -10.828 -10.828
  243    HE1  PHE  34           HE2      PHE  34   4.638 -15.026 -15.026
  244    HE2  PHE  34           HE1      PHE  34   7.646 -12.630 -12.630
  245    HZ   PHE  34           HZ       PHE  34   6.981 -14.730 -14.730
  246    H    SER  35           H        SER  35   0.867 -11.674 -11.674
  247    HA   SER  35           HA       SER  35   0.421 -13.581 -13.581
  248   1HB   SER  35          2HB       SER  35   2.882 -13.359 -13.359
  249   2HB   SER  35          1HB       SER  35   2.108 -12.605 -12.605
  250    HG   SER  35           HG       SER  35   1.840 -14.618 -14.618
  251    H    ALA  36           H        ALA  36   0.791 -10.344 -10.344
  252    HA   ALA  36           HA       ALA  36  -1.729 -10.786 -10.786
  253   1HB   ALA  36          3HB       ALA  36   0.309  -9.891  -9.891
  254   2HB   ALA  36          2HB       ALA  36   0.359  -8.533  -8.533
  255   3HB   ALA  36          1HB       ALA  36  -1.017  -8.697  -8.697
  256    H    ILE  37           H        ILE  37  -1.106 -10.083 -10.083
  257    HA   ILE  37           HA       ILE  37  -2.546  -7.522  -7.522
  258    HB   ILE  37           HB       ILE  37  -2.084  -7.598  -7.598
  259   1HG1  ILE  37          2HG1      ILE  37  -0.009  -9.615  -9.615
  260   2HG1  ILE  37          1HG1      ILE  37  -1.545 -10.340 -10.340
  261   1HG2  ILE  37          1HG2      ILE  37   0.331  -7.925  -7.925
  262   2HG2  ILE  37          3HG2      ILE  37   0.368  -7.210  -7.210
  263   3HG2  ILE  37          2HG2      ILE  37  -0.555  -6.425  -6.425
  264   1HD1  ILE  37          1HD1      ILE  37  -1.110  -8.662  -8.662
  265   2HD1  ILE  37          3HD1      ILE  37  -1.275 -10.439 -10.439
  266   3HD1  ILE  37          2HD1      ILE  37  -2.648  -9.400  -9.400
  267    H    GLN  38           H        GLN  38  -4.335  -9.007  -9.007
  268    HA   GLN  38           HA       GLN  38  -5.755 -10.942 -10.942
  269   1HB   GLN  38          2HB       GLN  38  -6.758  -8.578  -8.578
  270   2HB   GLN  38          1HB       GLN  38  -7.850  -9.849  -9.849
  271   1HG   GLN  38          2HG       GLN  38  -7.200 -10.442 -10.442
  272   2HG   GLN  38          1HG       GLN  38  -6.329 -11.533 -11.533
  273   1HE2  GLN  38          1HE2      GLN  38  -5.746  -8.106  -8.106
  274   2HE2  GLN  38          2HE2      GLN  38  -4.141  -8.290  -8.290
  275    H    ASN  39           H        ASN  39  -5.843 -10.920 -10.920
  276    HA   ASN  39           HA       ASN  39  -7.818  -9.084  -9.084
  277   1HB   ASN  39          2HB       ASN  39  -5.337  -8.109  -8.109
  278   2HB   ASN  39          1HB       ASN  39  -5.174  -9.326  -9.326
  279   1HD2  ASN  39          1HD2      ASN  39  -6.744  -6.405  -6.405
  280   2HD2  ASN  39          2HD2      ASN  39  -7.446  -5.903  -5.903
  281    H    ASP  40           H        ASP  40  -8.016 -11.822 -11.822
  282    HA   ASP  40           HA       ASP  40  -8.525 -13.806 -13.806
  283   1HB   ASP  40          2HB       ASP  40  -9.855 -12.358 -12.358
  284   2HB   ASP  40          1HB       ASP  40  -8.418 -12.108 -12.108
  285    H    GLY  41           H        GLY  41  -6.987 -12.804 -12.804
  286   1HA   GLY  41          1HA       GLY  41  -4.575 -14.437 -14.437
  287   2HA   GLY  41          2HA       GLY  41  -5.437 -14.649 -14.649
  288    H    TYR  42           H        TYR  42  -5.304 -12.985 -12.985
  289    HA   TYR  42           HA       TYR  42  -3.768 -11.614 -11.614
  290   1HB   TYR  42          1HB       TYR  42  -5.733 -10.288 -10.288
  291   2HB   TYR  42          2HB       TYR  42  -4.371  -9.579  -9.579
  292    HD1  TYR  42           HD1      TYR  42  -4.553 -10.553 -10.553
  293    HD2  TYR  42           HD2      TYR  42  -4.275  -7.352  -7.352
  294    HE1  TYR  42           HE1      TYR  42  -4.183  -8.925  -8.925
  295    HE2  TYR  42           HE2      TYR  42  -3.906  -5.726  -5.726
  296    HH   TYR  42           HH       TYR  42  -3.220  -6.629  -6.629
  297    H    LYS  43           H        LYS  43  -2.142 -13.284 -13.284
  298    HA   LYS  43           HA       LYS  43  -0.560 -12.432 -12.432
  299   1HB   LYS  43          2HB       LYS  43  -0.293 -14.271 -14.271
  300   2HB   LYS  43          1HB       LYS  43   1.274 -13.555 -13.555
  301   1HG   LYS  43          2HG       LYS  43   0.807 -15.636 -15.636
  302   2HG   LYS  43          1HG       LYS  43   0.947 -14.224 -14.224
  303   1HD   LYS  43          2HD       LYS  43  -0.966 -15.451 -15.451
  304   2HD   LYS  43          1HD       LYS  43  -1.605 -14.053 -14.053
  305   1HE   LYS  43          2HE       LYS  43  -2.752 -15.470 -15.470
  306   2HE   LYS  43          1HE       LYS  43  -1.213 -16.153 -16.153
  307   1HZ   LYS  43          1HZ       LYS  43  -2.706 -17.004 -17.004
  308   2HZ   LYS  43          3HZ       LYS  43  -2.643 -17.816 -17.816
  309   3HZ   LYS  43          2HZ       LYS  43  -1.276 -17.660 -17.660
  310    H    SER  44           H        SER  44   1.165 -11.016 -11.016
  311    HA   SER  44           HA       SER  44   2.661  -9.352  -9.352
  312   1HB   SER  44          2HB       SER  44   1.987  -9.029  -9.029
  313   2HB   SER  44          1HB       SER  44   3.568  -9.050  -9.050
  314    HG   SER  44           HG       SER  44   2.700 -11.470 -11.470
  315    H    LEU  45           H        LEU  45   2.079  -7.414  -7.414
  316    HA   LEU  45           HA       LEU  45   0.013  -5.900  -5.900
  317   1HB   LEU  45          2HB       LEU  45  -0.735  -7.327  -7.327
  318   2HB   LEU  45          1HB       LEU  45  -0.186  -5.858  -5.858
  319    HG   LEU  45           HG       LEU  45  -2.675  -6.385  -6.385
  320   1HD1  LEU  45          1HD1      LEU  45  -1.462  -3.724  -3.724
  321   2HD1  LEU  45          3HD1      LEU  45  -3.208  -4.038  -4.038
  322   3HD1  LEU  45          2HD1      LEU  45  -2.293  -4.898  -4.898
  323   1HD2  LEU  45          1HD2      LEU  45  -1.832  -5.917  -5.917
  324   2HD2  LEU  45          3HD2      LEU  45  -2.955  -4.625  -4.625
  325   3HD2  LEU  45          2HD2      LEU  45  -1.202  -4.345  -4.345
  326    H    ASP  46           H        ASP  46  -0.157  -3.667  -3.667
  327    HA   ASP  46           HA       ASP  46   1.044  -1.882  -1.882
  328   1HB   ASP  46          2HB       ASP  46   2.835  -3.900  -3.900
  329   2HB   ASP  46          1HB       ASP  46   3.716  -2.929  -2.929
  330    H    GLU  47           H        GLU  47   2.226  -0.038  -0.038
  331    HA   GLU  47           HA       GLU  47   3.642   0.479   0.479
  332   1HB   GLU  47          2HB       GLU  47   2.881  -1.225  -1.225
  333   2HB   GLU  47          1HB       GLU  47   1.180  -0.788  -0.788
  334   1HG   GLU  47          2HG       GLU  47   1.350   1.129   1.129
  335   2HG   GLU  47          1HG       GLU  47   3.106   1.250   1.250
  336    H    GLY  48           H        GLY  48   1.179   1.204   1.204
  337   1HA   GLY  48          1HA       GLY  48   0.846   3.628   3.628
  338   2HA   GLY  48          2HA       GLY  48   0.630   3.826   3.826
  339    H    GLN  49           H        GLN  49  -0.611   1.375   1.375
  340    HA   GLN  49           HA       GLN  49  -3.329   1.987   1.987
  341   1HB   GLN  49          2HB       GLN  49  -2.258  -0.510  -0.510
  342   2HB   GLN  49          1HB       GLN  49  -3.952  -0.258  -0.258
  343   1HG   GLN  49          2HG       GLN  49  -2.635   0.329   0.329
  344   2HG   GLN  49          1HG       GLN  49  -1.582  -0.923  -0.923
  345   1HE2  GLN  49          1HE2      GLN  49  -4.039  -1.905  -1.905
  346   2HE2  GLN  49          2HE2      GLN  49  -4.922  -2.902  -2.902
  347    H    LYS  50           H        LYS  50  -5.133   1.822   1.822
  348    HA   LYS  50           HA       LYS  50  -4.160   2.958   2.958
  349   1HB   LYS  50          2HB       LYS  50  -5.595   4.365   4.365
  350   2HB   LYS  50          1HB       LYS  50  -6.943   3.304   3.304
  351   1HG   LYS  50          2HG       LYS  50  -7.217   4.447   4.447
  352   2HG   LYS  50          1HG       LYS  50  -5.533   4.125   4.125
  353   1HD   LYS  50          2HD       LYS  50  -5.669   6.488   6.488
  354   2HD   LYS  50          1HD       LYS  50  -4.943   6.073   6.073
  355   1HE   LYS  50          2HE       LYS  50  -7.896   6.659   6.659
  356   2HE   LYS  50          1HE       LYS  50  -6.740   7.769   7.769
  357   1HZ   LYS  50          1HZ       LYS  50  -7.522   5.110   5.110
  358   2HZ   LYS  50          3HZ       LYS  50  -8.049   6.583   6.583
  359   3HZ   LYS  50          2HZ       LYS  50  -6.452   6.148   6.148
  360    H    VAL  51           H        VAL  51  -4.062   1.420   1.420
  361    HA   VAL  51           HA       VAL  51  -6.393  -0.417  -0.417
  362    HB   VAL  51           HB       VAL  51  -5.086  -2.234  -2.234
  363   1HG1  VAL  51          1HG1      VAL  51  -3.543  -0.604  -0.604
  364   2HG1  VAL  51          3HG1      VAL  51  -3.430  -2.373  -2.373
  365   3HG1  VAL  51          2HG1      VAL  51  -4.958  -1.632  -1.632
  366   1HG2  VAL  51          1HG2      VAL  51  -3.573  -1.260  -1.260
  367   2HG2  VAL  51          3HG2      VAL  51  -2.637  -2.173  -2.173
  368   3HG2  VAL  51          2HG2      VAL  51  -2.681  -0.399  -0.399
  369    H    SER  52           H        SER  52  -5.708  -1.656  -1.656
  370    HA   SER  52           HA       SER  52  -5.542   0.669   0.669
  371   1HB   SER  52          2HB       SER  52  -7.519  -1.586  -1.586
  372   2HB   SER  52          1HB       SER  52  -7.035  -0.976  -0.976
  373    HG   SER  52           HG       SER  52  -8.536   0.244   0.244
  374    H    PHE  53           H        PHE  53  -5.247  -0.362  -0.362
  375    HA   PHE  53           HA       PHE  53  -3.591  -2.771  -2.771
  376   1HB   PHE  53          2HB       PHE  53  -1.500  -1.696  -1.696
  377   2HB   PHE  53          1HB       PHE  53  -1.984  -1.275  -1.275
  378    HD1  PHE  53           HD1      PHE  53  -2.445   0.126   0.126
  379    HD2  PHE  53           HD2      PHE  53  -1.707   0.926   0.926
  380    HE1  PHE  53           HE1      PHE  53  -2.214   2.549   2.549
  381    HE2  PHE  53           HE2      PHE  53  -1.477   3.348   3.348
  382    HZ   PHE  53           HZ       PHE  53  -1.730   4.163   4.163
  383    H    THR  54           H        THR  54  -2.360  -2.606  -2.606
  384    HA   THR  54           HA       THR  54  -4.123  -1.199  -1.199
  385    HB   THR  54           HB       THR  54  -5.214  -3.350  -3.350
  386    HG1  THR  54           HG1      THR  54  -3.107  -3.190  -3.190
  387   1HG2  THR  54          2HG2      THR  54  -2.363  -4.326  -4.326
  388   2HG2  THR  54          1HG2      THR  54  -3.461  -5.330  -5.330
  389   3HG2  THR  54          3HG2      THR  54  -3.855  -4.981  -4.981
  390    H    ILE  55           H        ILE  55  -2.302   0.242   0.242
  391    HA   ILE  55           HA       ILE  55   0.310  -0.332  -0.332
  392    HB   ILE  55           HB       ILE  55  -1.508   1.603   1.603
  393   1HG1  ILE  55          2HG1      ILE  55   0.959   2.151   2.151
  394   2HG1  ILE  55          1HG1      ILE  55  -0.602   1.729   1.729
  395   1HG2  ILE  55          1HG2      ILE  55   1.456   1.352   1.352
  396   2HG2  ILE  55          3HG2      ILE  55   0.425   2.746   2.746
  397   3HG2  ILE  55          2HG2      ILE  55   0.096   1.148   1.148
  398   1HD1  ILE  55          1HD1      ILE  55  -0.090   4.084   4.084
  399   2HD1  ILE  55          3HD1      ILE  55  -0.294   4.183   4.183
  400   3HD1  ILE  55          2HD1      ILE  55  -1.650   3.680   3.680
  401    H    GLU  56           H        GLU  56   1.203  -2.056  -2.056
  402    HA   GLU  56           HA       GLU  56   0.336  -2.515  -2.515
  403   1HB   GLU  56          2HB       GLU  56   0.262  -4.361  -4.361
  404   2HB   GLU  56          1HB       GLU  56   1.348  -4.965  -4.965
  405   1HG   GLU  56          2HG       GLU  56  -0.774  -4.096  -4.096
  406   2HG   GLU  56          1HG       GLU  56  -1.606  -4.583  -4.583
  407    H    SER  57           H        SER  57   2.234  -4.407  -4.407
  408    HA   SER  57           HA       SER  57   4.828  -3.135  -3.135
  409   1HB   SER  57          2HB       SER  57   5.500  -3.160  -3.160
  410   2HB   SER  57          1HB       SER  57   4.046  -2.165  -2.165
  411    HG   SER  57           HG       SER  57   3.055  -3.457  -3.457
  412    H    GLY  58           H        GLY  58   6.355  -4.613  -4.613
  413   1HA   GLY  58          1HA       GLY  58   5.723  -7.479  -7.479
  414   2HA   GLY  58          2HA       GLY  58   6.860  -6.845  -6.845
  415    H    ALA  59           H        ALA  59   8.971  -6.115  -6.115
  416    HA   ALA  59           HA       ALA  59   9.780  -7.163  -7.163
  417   1HB   ALA  59          3HB       ALA  59  10.880  -8.192  -8.192
  418   2HB   ALA  59          2HB       ALA  59  11.415  -6.577  -6.577
  419   3HB   ALA  59          1HB       ALA  59  12.046  -7.278  -7.278
  420    H    LYS  60           H        LYS  60  11.347  -4.895  -4.895
  421    HA   LYS  60           HA       LYS  60  11.118  -2.796  -2.796
  422   1HB   LYS  60          2HB       LYS  60  13.553  -2.187  -2.187
  423   2HB   LYS  60          1HB       LYS  60  13.276  -3.326  -3.326
  424   1HG   LYS  60          2HG       LYS  60  13.668  -5.207  -5.207
  425   2HG   LYS  60          1HG       LYS  60  13.407  -4.275  -4.275
  426   1HD   LYS  60          2HD       LYS  60  15.582  -3.625  -3.625
  427   2HD   LYS  60          1HD       LYS  60  15.602  -3.212  -3.212
  428   1HE   LYS  60          2HE       LYS  60  15.841  -6.027  -6.027
  429   2HE   LYS  60          1HE       LYS  60  17.198  -5.051  -5.051
  430   1HZ   LYS  60          1HZ       LYS  60  14.874  -5.937  -5.937
  431   2HZ   LYS  60          3HZ       LYS  60  16.409  -6.591  -6.591
  432   3HZ   LYS  60          2HZ       LYS  60  16.147  -5.036  -5.036
  433    H    GLY  61           H        GLY  61   9.299  -2.125  -2.125
  434   1HA   GLY  61          1HA       GLY  61   9.502   0.084   0.084
  435   2HA   GLY  61          2HA       GLY  61  10.083  -1.067  -1.067
  436    HA   PRO  62           HA       PRO  62   5.364  -1.066  -1.066
  437   1HB   PRO  62          2HB       PRO  62   4.738   0.851   0.851
  438   2HB   PRO  62          1HB       PRO  62   4.778   1.190   1.190
  439   1HG   PRO  62          2HG       PRO  62   6.673   1.955   1.955
  440   2HG   PRO  62          1HG       PRO  62   6.463   2.617   2.617
  441   1HD   PRO  62          2HD       PRO  62   8.532   0.859   0.859
  442   2HD   PRO  62          1HD       PRO  62   8.245   1.445   1.445
  443    H    ALA  63           H        ALA  63   3.786  -1.840  -1.840
  444    HA   ALA  63           HA       ALA  63   4.932  -2.665  -2.665
  445   1HB   ALA  63          3HB       ALA  63   5.609  -4.478  -4.478
  446   2HB   ALA  63          2HB       ALA  63   3.910  -4.653  -4.653
  447   3HB   ALA  63          1HB       ALA  63   4.395  -5.056  -5.056
  448    H    ALA  64           H        ALA  64   3.309  -3.238  -3.238
  449    HA   ALA  64           HA       ALA  64   0.537  -2.481  -2.481
  450   1HB   ALA  64          3HB       ALA  64   1.586  -1.344  -1.344
  451   2HB   ALA  64          2HB       ALA  64   1.797  -2.930  -2.930
  452   3HB   ALA  64          1HB       ALA  64   0.160  -2.316  -2.316
  453    H    GLY  65           H        GLY  65  -0.787  -4.136  -4.136
  454   1HA   GLY  65          1HA       GLY  65  -0.342  -6.760  -6.760
  455   2HA   GLY  65          2HA       GLY  65  -1.022  -6.569  -6.569
  456    H    ASN  66           H        ASN  66  -2.475  -8.064  -8.064
  457    HA   ASN  66           HA       ASN  66  -4.432  -8.184  -8.184
  458   1HB   ASN  66          2HB       ASN  66  -5.021  -6.184  -6.184
  459   2HB   ASN  66          1HB       ASN  66  -6.274  -6.635  -6.635
  460   1HD2  ASN  66          1HD2      ASN  66  -5.659  -7.089  -7.089
  461   2HD2  ASN  66          2HD2      ASN  66  -5.943  -8.814  -8.814
  462    H    VAL  67           H        VAL  67  -2.810  -6.901  -6.901
  463    HA   VAL  67           HA       VAL  67  -3.834  -4.229  -4.229
  464    HB   VAL  67           HB       VAL  67  -2.100  -5.434  -5.434
  465   1HG1  VAL  67          1HG1      VAL  67  -1.808  -3.033  -3.033
  466   2HG1  VAL  67          3HG1      VAL  67  -0.726  -3.415  -3.415
  467   3HG1  VAL  67          2HG1      VAL  67  -2.430  -3.014  -3.014
  468   1HG2  VAL  67          1HG2      VAL  67  -1.309  -6.799  -6.799
  469   2HG2  VAL  67          3HG2      VAL  67  -0.078  -5.583  -5.583
  470   3HG2  VAL  67          2HG2      VAL  67  -1.098  -5.346  -5.346
  471    H    THR  68           H        THR  68  -5.919  -4.295  -4.295
  472    HA   THR  68           HA       THR  68  -6.465  -6.209  -6.209
  473    HB   THR  68           HB       THR  68  -8.097  -6.640  -6.640
  474    HG1  THR  68           HG1      THR  68  -9.251  -4.513  -4.513
  475   1HG2  THR  68          2HG2      THR  68  -7.855  -3.649  -3.649
  476   2HG2  THR  68          1HG2      THR  68  -9.442  -4.392  -4.392
  477   3HG2  THR  68          3HG2      THR  68  -8.045  -4.932  -4.932
  478    H    SER  69           H        SER  69  -7.026  -5.457  -5.457
  479    HA   SER  69           HA       SER  69  -6.189  -3.002  -3.002
  480   1HB   SER  69          2HB       SER  69  -8.082  -3.305  -3.305
  481   2HB   SER  69          1HB       SER  69  -6.738  -4.464  -4.464
  482    HG   SER  69           HG       SER  69  -8.251  -5.701  -5.701
  483    H    LEU  70           H        LEU  70  -7.453  -1.074  -1.074
  484    HA   LEU  70           HA       LEU  70  -8.883   0.634   0.634
  485   1HB   LEU  70          2HB       LEU  70 -11.012   0.157   0.157
  486   2HB   LEU  70          1HB       LEU  70 -10.477  -1.534  -1.534
  487    HG   LEU  70           HG       LEU  70 -10.426  -1.143  -1.143
  488   1HD1  LEU  70          1HD1      LEU  70 -12.420   0.989   0.989
  489   2HD1  LEU  70          3HD1      LEU  70 -12.222   0.387   0.387
  490   3HD1  LEU  70          2HD1      LEU  70 -10.894   1.248   1.248
  491   1HD2  LEU  70          1HD2      LEU  70 -11.878  -2.785  -2.785
  492   2HD2  LEU  70          3HD2      LEU  70 -12.786  -1.936  -1.936
  493   3HD2  LEU  70          2HD2      LEU  70 -13.042  -1.514  -1.514

  Start of MODEL    9
    1    H    SER   2           H        SER   2 -13.285  -0.737  -0.737
    2    HA   SER   2           HA       SER   2 -13.119  -0.241  -0.241
    3   1HB   SER   2          2HB       SER   2 -11.314   0.628   0.628
    4   2HB   SER   2          1HB       SER   2 -10.872   0.783   0.783
    5    HG   SER   2           HG       SER   2 -13.183   1.939   1.939
    6    H    GLY   3           H        GLY   3 -10.234  -0.620  -0.620
    7   1HA   GLY   3          1HA       GLY   3  -9.002  -2.796  -2.796
    8   2HA   GLY   3          2HA       GLY   3 -10.211  -3.575  -3.575
    9    H    LYS   4           H        LYS   4 -10.340  -1.555  -1.555
   10    HA   LYS   4           HA       LYS   4  -7.629  -1.907  -1.907
   11   1HB   LYS   4          2HB       LYS   4 -10.367  -2.009  -2.009
   12   2HB   LYS   4          1HB       LYS   4  -8.949  -1.615  -1.615
   13   1HG   LYS   4          2HG       LYS   4  -8.895  -3.907  -3.907
   14   2HG   LYS   4          1HG       LYS   4  -7.971  -3.773  -3.773
   15   1HD   LYS   4          2HD       LYS   4 -10.591  -3.809  -3.809
   16   2HD   LYS   4          1HD       LYS   4 -10.666  -4.893  -4.893
   17   1HE   LYS   4          2HE       LYS   4  -8.783  -6.214  -6.214
   18   2HE   LYS   4          1HE       LYS   4  -8.687  -5.109  -5.109
   19   1HZ   LYS   4          1HZ       LYS   4 -11.017  -6.778  -6.778
   20   2HZ   LYS   4          3HZ       LYS   4  -9.933  -7.084  -7.084
   21   3HZ   LYS   4          2HZ       LYS   4 -10.930  -5.759  -5.759
   22    H    MET   5           H        MET   5  -6.814  -0.152  -0.152
   23    HA   MET   5           HA       MET   5  -8.135   2.471   2.471
   24   1HB   MET   5          2HB       MET   5  -5.876   3.448   3.448
   25   2HB   MET   5          1HB       MET   5  -6.499   2.367   2.367
   26   1HG   MET   5          2HG       MET   5  -5.051   0.563   0.563
   27   2HG   MET   5          1HG       MET   5  -4.581   1.476   1.476
   28   1HE   MET   5          1HE       MET   5  -5.007   2.360   2.360
   29   2HE   MET   5          3HE       MET   5  -3.748   3.622   3.622
   30   3HE   MET   5          2HE       MET   5  -5.134   3.841   3.841
   31    H    THR   6           H        THR   6  -7.666   4.023   4.023
   32    HA   THR   6           HA       THR   6  -7.193   2.964   2.964
   33    HB   THR   6           HB       THR   6  -7.322   5.343   5.343
   34    HG1  THR   6           HG1      THR   6  -7.228   6.790   6.790
   35   1HG2  THR   6          2HG2      THR   6  -9.004   4.442   4.442
   36   2HG2  THR   6          1HG2      THR   6  -9.051   6.163   6.163
   37   3HG2  THR   6          3HG2      THR   6  -9.552   4.946   4.946
   38    H    GLY   7           H        GLY   7  -5.388   2.986   2.986
   39   1HA   GLY   7          1HA       GLY   7  -2.888   4.224   4.224
   40   2HA   GLY   7          2HA       GLY   7  -2.852   2.522   2.522
   41    H    ILE   8           H        ILE   8  -2.025   4.551   4.551
   42    HA   ILE   8           HA       ILE   8  -2.798   2.655   2.655
   43    HB   ILE   8           HB       ILE   8  -2.752   4.296   4.296
   44   1HG1  ILE   8          2HG1      ILE   8  -0.592   5.765   5.765
   45   2HG1  ILE   8          1HG1      ILE   8  -0.310   4.670   4.670
   46   1HG2  ILE   8          1HG2      ILE   8  -2.985   5.896   5.896
   47   2HG2  ILE   8          3HG2      ILE   8  -3.491   6.468   6.468
   48   3HG2  ILE   8          2HG2      ILE   8  -4.298   5.075   5.075
   49   1HD1  ILE   8          1HD1      ILE   8  -1.930   7.265   7.265
   50   2HD1  ILE   8          3HD1      ILE   8  -0.274   7.039   7.039
   51   3HD1  ILE   8          2HD1      ILE   8  -1.638   6.186   6.186
   52    H    VAL   9           H        VAL   9  -1.314   1.392   1.392
   53    HA   VAL   9           HA       VAL   9   1.265   1.082   1.082
   54    HB   VAL   9           HB       VAL   9  -0.155  -0.727  -0.727
   55   1HG1  VAL   9          1HG1      VAL   9   0.793   0.297   0.297
   56   2HG1  VAL   9          3HG1      VAL   9  -0.034  -1.260  -1.260
   57   3HG1  VAL   9          2HG1      VAL   9  -0.879   0.270   0.270
   58   1HG2  VAL   9          1HG2      VAL   9   2.217  -1.122  -1.122
   59   2HG2  VAL   9          3HG2      VAL   9   1.730  -2.065  -2.065
   60   3HG2  VAL   9          2HG2      VAL   9   2.682  -0.579  -0.579
   61    H    LYS  10           H        LYS  10   3.196   1.984   1.984
   62    HA   LYS  10           HA       LYS  10   3.164   3.849   3.849
   63   1HB   LYS  10          2HB       LYS  10   4.463   3.723   3.723
   64   2HB   LYS  10          1HB       LYS  10   5.702   3.840   3.840
   65   1HG   LYS  10          2HG       LYS  10   3.375   5.716   5.716
   66   2HG   LYS  10          1HG       LYS  10   5.109   6.091   6.091
   67   1HD   LYS  10          2HD       LYS  10   4.573   5.056   5.056
   68   2HD   LYS  10          1HD       LYS  10   3.194   6.111   6.111
   69   1HE   LYS  10          2HE       LYS  10   5.856   7.224   7.224
   70   2HE   LYS  10          1HE       LYS  10   5.610   6.965   6.965
   71   1HZ   LYS  10          1HZ       LYS  10   3.814   8.475   8.475
   72   2HZ   LYS  10          3HZ       LYS  10   4.888   9.133   9.133
   73   3HZ   LYS  10          2HZ       LYS  10   3.584   8.252   8.252
   74    H    TRP  11           H        TRP  11   5.844   1.713   1.713
   75    HA   TRP  11           HA       TRP  11   5.917   0.504   0.504
   76   1HB   TRP  11          2HB       TRP  11   8.593   0.891   0.891
   77   2HB   TRP  11          1HB       TRP  11   7.791   1.477   1.477
   78    HD1  TRP  11           HD1      TRP  11   6.101   3.932   3.932
   79    HE1  TRP  11           HE1      TRP  11   6.878   5.924   5.924
   80    HE3  TRP  11           HE3      TRP  11  10.315   1.779   1.779
   81    HZ2  TRP  11           HZ2      TRP  11   9.201   6.623   6.623
   82    HZ3  TRP  11           HZ3      TRP  11  11.734   3.257   3.257
   83    HH2  TRP  11           HH2      TRP  11  11.232   5.561   5.561
   84    H    PHE  12           H        PHE  12   7.591  -1.415  -1.415
   85    HA   PHE  12           HA       PHE  12   8.260  -2.699  -2.699
   86   1HB   PHE  12          2HB       PHE  12   6.559  -4.509  -4.509
   87   2HB   PHE  12          1HB       PHE  12   5.930  -2.949  -2.949
   88    HD1  PHE  12           HD1      PHE  12   5.972  -5.417  -5.417
   89    HD2  PHE  12           HD2      PHE  12   4.295  -1.719  -1.719
   90    HE1  PHE  12           HE1      PHE  12   4.208  -5.510  -5.510
   91    HE2  PHE  12           HE2      PHE  12   2.535  -1.818  -1.818
   92    HZ   PHE  12           HZ       PHE  12   2.488  -3.713  -3.713
   93    H    ASN  13           H        ASN  13  10.090  -3.659  -3.659
   94    HA   ASN  13           HA       ASN  13  10.264  -4.601  -4.601
   95   1HB   ASN  13          2HB       ASN  13  12.094  -4.180  -4.180
   96   2HB   ASN  13          1HB       ASN  13  12.489  -5.585  -5.585
   97   1HD2  ASN  13          1HD2      ASN  13  13.080  -2.410  -2.410
   98   2HD2  ASN  13          2HD2      ASN  13  13.561  -1.882  -1.882
   99    H    ALA  14           H        ALA  14   9.529  -6.550  -6.550
  100    HA   ALA  14           HA       ALA  14   9.139  -8.692  -8.692
  101   1HB   ALA  14          3HB       ALA  14   7.283  -8.104  -8.104
  102   2HB   ALA  14          2HB       ALA  14   8.357  -8.495  -8.495
  103   3HB   ALA  14          1HB       ALA  14   7.860  -9.777  -9.777
  104    H    ASP  15           H        ASP  15  11.751  -7.647  -7.647
  105    HA   ASP  15           HA       ASP  15  12.533 -10.300 -10.300
  106   1HB   ASP  15          2HB       ASP  15  12.782  -7.860  -7.860
  107   2HB   ASP  15          1HB       ASP  15  14.282  -7.894  -7.894
  108    H    LYS  16           H        LYS  16  13.585  -7.605  -7.605
  109    HA   LYS  16           HA       LYS  16  15.769  -9.256  -9.256
  110   1HB   LYS  16          2HB       LYS  16  15.892  -7.127  -7.127
  111   2HB   LYS  16          1HB       LYS  16  16.532  -7.124  -7.124
  112   1HG   LYS  16          2HG       LYS  16  14.391  -6.149  -6.149
  113   2HG   LYS  16          1HG       LYS  16  13.768  -6.158  -6.158
  114   1HD   LYS  16          2HD       LYS  16  15.942  -4.454  -4.454
  115   2HD   LYS  16          1HD       LYS  16  14.539  -3.948  -3.948
  116   1HE   LYS  16          2HE       LYS  16  16.305  -3.706  -3.706
  117   2HE   LYS  16          1HE       LYS  16  15.706  -5.331  -5.331
  118   1HZ   LYS  16          1HZ       LYS  16  17.978  -4.702  -4.702
  119   2HZ   LYS  16          3HZ       LYS  16  18.086  -5.275  -5.275
  120   3HZ   LYS  16          2HZ       LYS  16  17.436  -6.226  -6.226
  121    H    GLY  17           H        GLY  17  12.527  -8.132  -8.132
  122   1HA   GLY  17          1HA       GLY  17  11.182  -9.559  -9.559
  123   2HA   GLY  17          2HA       GLY  17  12.654 -10.069 -10.069
  124    H    PHE  18           H        PHE  18  10.758  -7.082  -7.082
  125    HA   PHE  18           HA       PHE  18  10.748  -6.220  -6.220
  126   1HB   PHE  18          2HB       PHE  18  12.390  -4.731  -4.731
  127   2HB   PHE  18          1HB       PHE  18  11.877  -4.057  -4.057
  128    HD1  PHE  18           HD2      PHE  18  12.851  -4.782  -4.782
  129    HD2  PHE  18           HD1      PHE  18  14.180  -6.474  -6.474
  130    HE1  PHE  18           HE2      PHE  18  14.861  -5.716  -5.716
  131    HE2  PHE  18           HE1      PHE  18  16.185  -7.404  -7.404
  132    HZ   PHE  18           HZ       PHE  18  16.530  -7.026  -7.026
  133    H    GLY  19           H        GLY  19   9.193  -4.583  -4.583
  134   1HA   GLY  19          1HA       GLY  19   7.723  -3.606  -3.606
  135   2HA   GLY  19          2HA       GLY  19   6.840  -4.422  -4.422
  136    H    PHE  20           H        PHE  20   6.481  -1.650  -1.650
  137    HA   PHE  20           HA       PHE  20   7.045  -0.264  -0.264
  138   1HB   PHE  20          2HB       PHE  20   7.856   0.693   0.693
  139   2HB   PHE  20          1HB       PHE  20   7.645   1.772   1.772
  140    HD1  PHE  20           HD2      PHE  20   9.723  -1.014  -1.014
  141    HD2  PHE  20           HD1      PHE  20   9.269   1.924   1.924
  142    HE1  PHE  20           HE2      PHE  20  12.057  -1.440  -1.440
  143    HE2  PHE  20           HE1      PHE  20  11.602   1.492   1.492
  144    HZ   PHE  20           HZ       PHE  20  13.000  -0.190  -0.190
  145    H    ILE  21           H        ILE  21   5.151   0.526   0.526
  146    HA   ILE  21           HA       ILE  21   3.135   1.258   1.258
  147    HB   ILE  21           HB       ILE  21   2.762   0.044   0.044
  148   1HG1  ILE  21          2HG1      ILE  21   2.833  -0.991  -0.991
  149   2HG1  ILE  21          1HG1      ILE  21   2.981  -1.853  -1.853
  150   1HG2  ILE  21          1HG2      ILE  21   0.640   1.081   1.081
  151   2HG2  ILE  21          3HG2      ILE  21   0.317   0.097   0.097
  152   3HG2  ILE  21          2HG2      ILE  21   1.021   1.718   1.718
  153   1HD1  ILE  21          1HD1      ILE  21   0.363  -0.937  -0.937
  154   2HD1  ILE  21          3HD1      ILE  21   0.991  -2.608  -2.608
  155   3HD1  ILE  21          2HD1      ILE  21   0.499  -1.814  -1.814
  156    H    THR  22           H        THR  22   1.918   3.187   3.187
  157    HA   THR  22           HA       THR  22   3.132   4.985   4.985
  158    HB   THR  22           HB       THR  22   3.642   5.649   5.649
  159    HG1  THR  22           HG1      THR  22   3.125   7.696   7.696
  160   1HG2  THR  22          2HG2      THR  22   0.613   5.486   5.486
  161   2HG2  THR  22          1HG2      THR  22   1.389   6.856   6.856
  162   3HG2  THR  22          3HG2      THR  22   1.781   5.200   5.200
  163    HA   PRO  23           HA       PRO  23  -0.901   5.138   5.138
  164   1HB   PRO  23          2HB       PRO  23  -0.478   7.420   7.420
  165   2HB   PRO  23          1HB       PRO  23   0.032   5.779   5.779
  166   1HG   PRO  23          2HG       PRO  23   1.635   8.073   8.073
  167   2HG   PRO  23          1HG       PRO  23   2.140   6.590   6.590
  168   1HD   PRO  23          2HD       PRO  23   2.476   7.226   7.226
  169   2HD   PRO  23          1HD       PRO  23   2.878   5.708   5.708
  170    H    ASP  24           H        ASP  24  -2.236   7.520   7.520
  171    HA   ASP  24           HA       ASP  24  -2.634   8.923   8.923
  172   1HB   ASP  24          2HB       ASP  24  -4.634   7.698   7.698
  173   2HB   ASP  24          1HB       ASP  24  -5.078   9.076   9.076
  174    H    ASP  25           H        ASP  25  -2.874   8.899   8.899
  175    HA   ASP  25           HA       ASP  25  -3.295  11.840  11.840
  176   1HB   ASP  25          2HB       ASP  25  -3.158   9.844   9.844
  177   2HB   ASP  25          1HB       ASP  25  -3.574  11.564  11.564
  178    H    GLY  26           H        GLY  26  -0.915   9.295   9.295
  179   1HA   GLY  26          1HA       GLY  26   0.913  10.999  10.999
  180   2HA   GLY  26          2HA       GLY  26   1.262   9.403   9.403
  181    H    SER  27           H        SER  27   2.707   9.384   9.384
  182    HA   SER  27           HA       SER  27   2.600  11.017  11.017
  183   1HB   SER  27          2HB       SER  27   4.890  12.275  12.275
  184   2HB   SER  27          1HB       SER  27   3.285  13.008  13.008
  185    HG   SER  27           HG       SER  27   3.356  12.537  12.537
  186    H    LYS  28           H        LYS  28   5.392  10.178  10.178
  187    HA   LYS  28           HA       LYS  28   6.974   9.097   9.097
  188   1HB   LYS  28          2HB       LYS  28   6.903   8.299   8.299
  189   2HB   LYS  28          1HB       LYS  28   8.238   7.998   7.998
  190   1HG   LYS  28          2HG       LYS  28   9.056  10.010  10.010
  191   2HG   LYS  28          1HG       LYS  28   7.720  10.735  10.735
  192   1HD   LYS  28          2HD       LYS  28   7.855  11.579  11.579
  193   2HD   LYS  28          1HD       LYS  28   6.318  10.761  10.761
  194   1HE   LYS  28          2HE       LYS  28   8.223   8.801   8.801
  195   2HE   LYS  28          1HE       LYS  28   8.255  10.174  10.174
  196   1HZ   LYS  28          1HZ       LYS  28   5.841   8.710   8.710
  197   2HZ   LYS  28          3HZ       LYS  28   6.602   8.556   8.556
  198   3HZ   LYS  28          2HZ       LYS  28   5.863   9.986   9.986
  199    H    ASP  29           H        ASP  29   7.614   6.740   6.740
  200    HA   ASP  29           HA       ASP  29   5.118   5.114   5.114
  201   1HB   ASP  29          2HB       ASP  29   6.505   3.723   3.723
  202   2HB   ASP  29          1HB       ASP  29   6.092   5.355   5.355
  203    H    VAL  30           H        VAL  30   4.977   3.126   3.126
  204    HA   VAL  30           HA       VAL  30   7.150   2.530   2.530
  205    HB   VAL  30           HB       VAL  30   5.555   0.920   0.920
  206   1HG1  VAL  30          1HG1      VAL  30   4.516   3.771   3.771
  207   2HG1  VAL  30          3HG1      VAL  30   3.980   2.612   2.612
  208   3HG1  VAL  30          2HG1      VAL  30   5.657   3.193   3.193
  209   1HG2  VAL  30          1HG2      VAL  30   4.262   0.382   0.382
  210   2HG2  VAL  30          3HG2      VAL  30   3.178   0.997   0.997
  211   3HG2  VAL  30          2HG2      VAL  30   3.645   2.045   2.045
  212    H    PHE  31           H        PHE  31   8.054   0.346   0.346
  213    HA   PHE  31           HA       PHE  31   8.495  -0.891  -0.891
  214   1HB   PHE  31          2HB       PHE  31  10.255  -2.103  -2.103
  215   2HB   PHE  31          1HB       PHE  31  10.404  -0.379  -0.379
  216    HD1  PHE  31           HD2      PHE  31   9.078  -3.522  -3.522
  217    HD2  PHE  31           HD1      PHE  31  10.611   0.478   0.478
  218    HE1  PHE  31           HE2      PHE  31   9.155  -3.913  -3.913
  219    HE2  PHE  31           HE1      PHE  31  10.684   0.077   0.077
  220    HZ   PHE  31           HZ       PHE  31   9.957  -2.116  -2.116
  221    H    VAL  32           H        VAL  32   7.820  -2.935  -2.935
  222    HA   VAL  32           HA       VAL  32   6.732  -4.755  -4.755
  223    HB   VAL  32           HB       VAL  32   4.736  -3.827  -3.827
  224   1HG1  VAL  32          1HG1      VAL  32   5.224  -2.680  -2.680
  225   2HG1  VAL  32          3HG1      VAL  32   3.777  -2.378  -2.378
  226   3HG1  VAL  32          2HG1      VAL  32   5.371  -1.813  -1.813
  227   1HG2  VAL  32          1HG2      VAL  32   4.341  -5.978  -5.978
  228   2HG2  VAL  32          3HG2      VAL  32   3.179  -4.758  -4.758
  229   3HG2  VAL  32          2HG2      VAL  32   4.569  -5.222  -5.222
  230    H    HIS  33           H        HIS  33   5.895  -6.811  -6.811
  231    HA   HIS  33           HA       HIS  33   7.511  -7.158  -7.158
  232   1HB   HIS  33          2HB       HIS  33   7.898  -8.438  -8.438
  233   2HB   HIS  33          1HB       HIS  33   6.690  -9.521  -9.521
  234    HD1  HIS  33           HD1      HIS  33   8.304  -8.460  -8.460
  235    HD2  HIS  33           HD2      HIS  33   9.684 -10.897 -10.897
  236    HE1  HIS  33           HE1      HIS  33  10.122  -9.738  -9.738
  237    H    PHE  34           H        PHE  34   5.745  -6.374  -6.374
  238    HA   PHE  34           HA       PHE  34   4.028  -6.920  -6.920
  239   1HB   PHE  34          2HB       PHE  34   3.406  -9.461  -9.461
  240   2HB   PHE  34          1HB       PHE  34   3.289  -9.088  -9.088
  241    HD1  PHE  34           HD2      PHE  34   5.931  -8.092  -8.092
  242    HD2  PHE  34           HD1      PHE  34   4.892 -11.289 -11.289
  243    HE1  PHE  34           HE2      PHE  34   8.129  -9.174  -9.174
  244    HE2  PHE  34           HE1      PHE  34   7.090 -12.363 -12.363
  245    HZ   PHE  34           HZ       PHE  34   8.711 -11.310 -11.310
  246    H    SER  35           H        SER  35   3.718  -7.239  -7.239
  247    HA   SER  35           HA       SER  35   2.144  -6.367  -6.367
  248   1HB   SER  35          2HB       SER  35   1.870  -4.506  -4.506
  249   2HB   SER  35          1HB       SER  35   0.640  -5.469  -5.469
  250    HG   SER  35           HG       SER  35  -0.687  -4.542  -4.542
  251    H    ALA  36           H        ALA  36   2.104  -9.047  -9.047
  252    HA   ALA  36           HA       ALA  36   0.727 -10.925 -10.925
  253   1HB   ALA  36          3HB       ALA  36   0.716 -10.540 -10.540
  254   2HB   ALA  36          2HB       ALA  36  -0.697  -9.485  -9.485
  255   3HB   ALA  36          1HB       ALA  36  -0.834 -11.210 -11.210
  256    H    ILE  37           H        ILE  37   0.050  -9.267  -9.267
  257    HA   ILE  37           HA       ILE  37  -2.479  -8.112  -8.112
  258    HB   ILE  37           HB       ILE  37  -2.474  -8.432  -8.432
  259   1HG1  ILE  37          2HG1      ILE  37  -1.063 -10.705 -10.705
  260   2HG1  ILE  37          1HG1      ILE  37  -1.101  -9.849  -9.849
  261   1HG2  ILE  37          1HG2      ILE  37   0.145  -7.464  -7.464
  262   2HG2  ILE  37          3HG2      ILE  37  -0.417  -7.096  -7.096
  263   3HG2  ILE  37          2HG2      ILE  37  -1.332  -6.512  -6.512
  264   1HD1  ILE  37          1HD1      ILE  37   1.013  -9.494  -9.494
  265   2HD1  ILE  37          3HD1      ILE  37   1.218 -10.407 -10.407
  266   3HD1  ILE  37          2HD1      ILE  37   0.991  -8.647  -8.647
  267    H    GLN  38           H        GLN  38  -4.286  -9.131  -9.131
  268    HA   GLN  38           HA       GLN  38  -4.856 -11.826 -11.826
  269   1HB   GLN  38          2HB       GLN  38  -6.622  -9.428  -9.428
  270   2HB   GLN  38          1HB       GLN  38  -7.328 -11.046 -11.046
  271   1HG   GLN  38          2HG       GLN  38  -7.293  -9.827  -9.827
  272   2HG   GLN  38          1HG       GLN  38  -6.982 -11.570 -11.570
  273   1HE2  GLN  38          1HE2      GLN  38  -5.369  -8.395  -8.395
  274   2HE2  GLN  38          2HE2      GLN  38  -3.891  -8.861  -8.861
  275    H    ASN  39           H        ASN  39  -3.371 -12.186 -12.186
  276    HA   ASN  39           HA       ASN  39  -5.236 -12.609 -12.609
  277   1HB   ASN  39          2HB       ASN  39  -3.142 -10.823 -10.823
  278   2HB   ASN  39          1HB       ASN  39  -2.328 -12.315 -12.315
  279   1HD2  ASN  39          1HD2      ASN  39  -4.980 -10.073 -10.073
  280   2HD2  ASN  39          2HD2      ASN  39  -5.222 -10.451 -10.451
  281    H    ASP  40           H        ASP  40  -4.568 -14.434 -14.434
  282    HA   ASP  40           HA       ASP  40  -3.028 -16.479 -16.479
  283   1HB   ASP  40          2HB       ASP  40  -4.449 -18.035 -18.035
  284   2HB   ASP  40          1HB       ASP  40  -5.119 -17.425 -17.425
  285    H    GLY  41           H        GLY  41  -4.012 -15.277 -15.277
  286   1HA   GLY  41          1HA       GLY  41  -2.100 -16.916 -16.916
  287   2HA   GLY  41          2HA       GLY  41  -2.988 -15.517 -15.517
  288    H    TYR  42           H        TYR  42  -1.329 -14.315 -14.315
  289    HA   TYR  42           HA       TYR  42   1.287 -14.138 -14.138
  290   1HB   TYR  42          1HB       TYR  42  -0.372 -12.492 -12.492
  291   2HB   TYR  42          2HB       TYR  42   1.105 -11.771 -11.771
  292    HD1  TYR  42           HD1      TYR  42   2.945 -14.143 -14.143
  293    HD2  TYR  42           HD2      TYR  42   0.132 -12.952 -12.952
  294    HE1  TYR  42           HE1      TYR  42   4.288 -15.342 -15.342
  295    HE2  TYR  42           HE2      TYR  42   1.478 -14.151 -14.151
  296    HH   TYR  42           HH       TYR  42   3.419 -15.331 -15.331
  297    H    LYS  43           H        LYS  43   2.053 -13.301 -13.301
  298    HA   LYS  43           HA       LYS  43   0.329 -11.861 -11.861
  299   1HB   LYS  43          2HB       LYS  43   2.659 -13.286 -13.286
  300   2HB   LYS  43          1HB       LYS  43   3.202 -11.621 -11.621
  301   1HG   LYS  43          2HG       LYS  43   2.491 -12.049 -12.049
  302   2HG   LYS  43          1HG       LYS  43   0.894 -11.658 -11.658
  303   1HD   LYS  43          2HD       LYS  43   2.044 -14.475 -14.475
  304   2HD   LYS  43          1HD       LYS  43   1.090 -13.842 -13.842
  305   1HE   LYS  43          2HE       LYS  43  -0.713 -13.275 -13.275
  306   2HE   LYS  43          1HE       LYS  43   0.222 -14.282 -14.282
  307   1HZ   LYS  43          1HZ       LYS  43  -0.876 -15.152 -15.152
  308   2HZ   LYS  43          3HZ       LYS  43  -1.502 -15.520 -15.520
  309   3HZ   LYS  43          2HZ       LYS  43  -0.017 -16.106 -16.106
  310    H    SER  44           H        SER  44   2.735  -9.988  -9.988
  311    HA   SER  44           HA       SER  44   3.263  -7.813  -7.813
  312   1HB   SER  44          2HB       SER  44   3.304  -8.986  -8.986
  313   2HB   SER  44          1HB       SER  44   2.805  -7.284  -7.284
  314    HG   SER  44           HG       SER  44   5.105  -7.551  -7.551
  315    H    LEU  45           H        LEU  45   2.357  -5.613  -5.613
  316    HA   LEU  45           HA       LEU  45  -0.595  -5.807  -5.807
  317   1HB   LEU  45          2HB       LEU  45   0.860  -4.703  -4.703
  318   2HB   LEU  45          1HB       LEU  45   0.981  -3.358  -3.358
  319    HG   LEU  45           HG       LEU  45  -1.110  -2.679  -2.679
  320   1HD1  LEU  45          1HD1      LEU  45  -1.983  -5.555  -5.555
  321   2HD1  LEU  45          3HD1      LEU  45  -3.073  -4.141  -4.141
  322   3HD1  LEU  45          2HD1      LEU  45  -2.197  -4.615  -4.615
  323   1HD2  LEU  45          1HD2      LEU  45  -0.151  -2.709  -2.709
  324   2HD2  LEU  45          3HD2      LEU  45  -1.903  -3.037  -3.037
  325   3HD2  LEU  45          2HD2      LEU  45  -0.740  -4.365  -4.365
  326    H    ASP  46           H        ASP  46  -0.390  -2.716  -2.716
  327    HA   ASP  46           HA       ASP  46  -0.061  -3.061  -3.061
  328   1HB   ASP  46          2HB       ASP  46  -2.462  -2.770  -2.770
  329   2HB   ASP  46          1HB       ASP  46  -1.957  -1.071  -1.071
  330    H    GLU  47           H        GLU  47   1.738  -2.069  -2.069
  331    HA   GLU  47           HA       GLU  47   2.915  -0.190  -0.190
  332   1HB   GLU  47          2HB       GLU  47   4.331  -0.815  -0.815
  333   2HB   GLU  47          1HB       GLU  47   3.122  -0.460  -0.460
  334   1HG   GLU  47          2HG       GLU  47   3.692   1.760   1.760
  335   2HG   GLU  47          1HG       GLU  47   3.973   1.860   1.860
  336    H    GLY  48           H        GLY  48   1.210   1.065   1.065
  337   1HA   GLY  48          1HA       GLY  48   0.513   3.347   3.347
  338   2HA   GLY  48          2HA       GLY  48   0.565   3.494   3.494
  339    H    GLN  49           H        GLN  49  -1.267   2.317   2.317
  340    HA   GLN  49           HA       GLN  49  -3.730   2.567   2.567
  341   1HB   GLN  49          2HB       GLN  49  -3.320   0.361   0.361
  342   2HB   GLN  49          1HB       GLN  49  -2.726  -0.179  -0.179
  343   1HG   GLN  49          2HG       GLN  49  -4.890  -0.276  -0.276
  344   2HG   GLN  49          1HG       GLN  49  -5.549   0.864   0.864
  345   1HE2  GLN  49          1HE2      GLN  49  -6.859  -1.454  -1.454
  346   2HE2  GLN  49          2HE2      GLN  49  -6.787  -2.582  -2.582
  347    H    LYS  50           H        LYS  50  -5.555   2.731   2.731
  348    HA   LYS  50           HA       LYS  50  -4.769   3.204   3.204
  349   1HB   LYS  50          2HB       LYS  50  -6.162   4.785   4.785
  350   2HB   LYS  50          1HB       LYS  50  -7.517   3.706   3.706
  351   1HG   LYS  50          2HG       LYS  50  -7.769   4.764   4.764
  352   2HG   LYS  50          1HG       LYS  50  -6.136   4.250   4.250
  353   1HD   LYS  50          2HD       LYS  50  -5.758   6.506   6.506
  354   2HD   LYS  50          1HD       LYS  50  -5.534   6.332   6.332
  355   1HE   LYS  50          2HE       LYS  50  -7.671   7.204   7.204
  356   2HE   LYS  50          1HE       LYS  50  -8.298   6.810   6.810
  357   1HZ   LYS  50          1HZ       LYS  50  -6.289   8.890   8.890
  358   2HZ   LYS  50          3HZ       LYS  50  -7.903   9.151   9.151
  359   3HZ   LYS  50          2HZ       LYS  50  -6.884   8.540   8.540
  360    H    VAL  51           H        VAL  51  -5.136   1.790   1.790
  361    HA   VAL  51           HA       VAL  51  -7.392  -0.067  -0.067
  362    HB   VAL  51           HB       VAL  51  -6.294  -2.002  -2.002
  363   1HG1  VAL  51          1HG1      VAL  51  -4.353  -0.123  -0.123
  364   2HG1  VAL  51          3HG1      VAL  51  -4.460  -1.886  -1.886
  365   3HG1  VAL  51          2HG1      VAL  51  -5.826  -0.835  -0.835
  366   1HG2  VAL  51          1HG2      VAL  51  -4.887  -1.704  -1.704
  367   2HG2  VAL  51          3HG2      VAL  51  -3.923  -2.394  -2.394
  368   3HG2  VAL  51          2HG2      VAL  51  -3.765  -0.677  -0.677
  369    H    SER  52           H        SER  52  -7.361  -1.518  -1.518
  370    HA   SER  52           HA       SER  52  -6.822   0.395   0.395
  371   1HB   SER  52          2HB       SER  52  -8.904  -1.566  -1.566
  372   2HB   SER  52          1HB       SER  52  -8.196  -1.825  -1.825
  373    HG   SER  52           HG       SER  52  -9.796  -0.335  -0.335
  374    H    PHE  53           H        PHE  53  -4.807   0.155   0.155
  375    HA   PHE  53           HA       PHE  53  -3.655  -2.604  -2.604
  376   1HB   PHE  53          2HB       PHE  53  -1.592  -1.626  -1.626
  377   2HB   PHE  53          1HB       PHE  53  -2.499  -0.527  -0.527
  378    HD1  PHE  53           HD1      PHE  53  -3.892   1.327   1.327
  379    HD2  PHE  53           HD2      PHE  53   0.002  -0.455  -0.455
  380    HE1  PHE  53           HE1      PHE  53  -3.219   3.256   3.256
  381    HE2  PHE  53           HE2      PHE  53   0.666   1.477   1.477
  382    HZ   PHE  53           HZ       PHE  53  -0.942   3.333   3.333
  383    H    THR  54           H        THR  54  -2.563  -3.155  -3.155
  384    HA   THR  54           HA       THR  54  -3.733  -1.731  -1.731
  385    HB   THR  54           HB       THR  54  -4.499  -3.787  -3.787
  386    HG1  THR  54           HG1      THR  54  -2.786  -5.045  -5.045
  387   1HG2  THR  54          2HG2      THR  54  -4.708  -3.804  -3.804
  388   2HG2  THR  54          1HG2      THR  54  -5.091  -5.309  -5.309
  389   3HG2  THR  54          3HG2      THR  54  -6.028  -3.842  -3.842
  390    H    ILE  55           H        ILE  55  -1.907  -0.645  -0.645
  391    HA   ILE  55           HA       ILE  55   0.705  -1.355  -1.355
  392    HB   ILE  55           HB       ILE  55  -0.811   0.157   0.157
  393   1HG1  ILE  55          2HG1      ILE  55   1.635   1.015   1.015
  394   2HG1  ILE  55          1HG1      ILE  55   0.019   0.961   0.961
  395   1HG2  ILE  55          1HG2      ILE  55   2.138  -0.510  -0.510
  396   2HG2  ILE  55          3HG2      ILE  55   1.253   0.755   0.755
  397   3HG2  ILE  55          2HG2      ILE  55   0.807  -0.952  -0.952
  398   1HD1  ILE  55          1HD1      ILE  55   0.806   2.562   2.562
  399   2HD1  ILE  55          3HD1      ILE  55   0.550   3.225   3.225
  400   3HD1  ILE  55          2HD1      ILE  55  -0.809   2.528   2.528
  401    H    GLU  56           H        GLU  56   2.328  -2.334  -2.334
  402    HA   GLU  56           HA       GLU  56   1.127  -4.397  -4.397
  403   1HB   GLU  56          2HB       GLU  56   3.074  -4.797  -4.797
  404   2HB   GLU  56          1HB       GLU  56   3.143  -5.862  -5.862
  405   1HG   GLU  56          2HG       GLU  56   0.713  -5.358  -5.358
  406   2HG   GLU  56          1HG       GLU  56   1.711  -6.826  -6.826
  407    H    SER  57           H        SER  57   2.037  -4.460  -4.460
  408    HA   SER  57           HA       SER  57   4.690  -3.144  -3.144
  409   1HB   SER  57          2HB       SER  57   2.935  -1.721  -1.721
  410   2HB   SER  57          1HB       SER  57   2.338  -3.083  -3.083
  411    HG   SER  57           HG       SER  57   4.017  -2.867  -2.867
  412    H    GLY  58           H        GLY  58   6.205  -4.637  -4.637
  413   1HA   GLY  58          1HA       GLY  58   6.312  -6.218  -6.218
  414   2HA   GLY  58          2HA       GLY  58   5.457  -7.241  -7.241
  415    H    ALA  59           H        ALA  59   6.713  -6.333  -6.333
  416    HA   ALA  59           HA       ALA  59   8.949  -7.991  -7.991
  417   1HB   ALA  59          3HB       ALA  59   7.771  -6.786  -6.786
  418   2HB   ALA  59          2HB       ALA  59   8.494  -5.261  -5.261
  419   3HB   ALA  59          1HB       ALA  59   9.540  -6.556  -6.556
  420    H    LYS  60           H        LYS  60   9.297  -4.394  -4.394
  421    HA   LYS  60           HA       LYS  60  11.090  -4.301  -4.301
  422   1HB   LYS  60          2HB       LYS  60  12.748  -5.441  -5.441
  423   2HB   LYS  60          1HB       LYS  60  12.321  -4.723  -4.723
  424   1HG   LYS  60          2HG       LYS  60  13.161  -2.773  -2.773
  425   2HG   LYS  60          1HG       LYS  60  14.425  -3.927  -3.927
  426   1HD   LYS  60          2HD       LYS  60  12.915  -2.824  -2.824
  427   2HD   LYS  60          1HD       LYS  60  13.768  -1.584  -1.584
  428   1HE   LYS  60          2HE       LYS  60  15.021  -2.777  -2.777
  429   2HE   LYS  60          1HE       LYS  60  15.878  -2.542  -2.542
  430   1HZ   LYS  60          1HZ       LYS  60  14.467  -4.999  -4.999
  431   2HZ   LYS  60          3HZ       LYS  60  16.120  -4.766  -4.766
  432   3HZ   LYS  60          2HZ       LYS  60  15.280  -4.795  -4.795
  433    H    GLY  61           H        GLY  61  10.095  -2.962  -2.962
  434   1HA   GLY  61          1HA       GLY  61   9.983  -0.261  -0.261
  435   2HA   GLY  61          2HA       GLY  61  10.648  -0.483  -0.483
  436    HA   PRO  62           HA       PRO  62   6.070   0.131   0.131
  437   1HB   PRO  62          2HB       PRO  62   6.247   2.409   2.409
  438   2HB   PRO  62          1HB       PRO  62   6.062   2.473   2.473
  439   1HG   PRO  62          2HG       PRO  62   8.418   3.029   3.029
  440   2HG   PRO  62          1HG       PRO  62   8.086   3.480   3.480
  441   1HD   PRO  62          2HD       PRO  62   9.824   1.406   1.406
  442   2HD   PRO  62          1HD       PRO  62   9.399   1.801   1.801
  443    H    ALA  63           H        ALA  63   5.082  -1.174  -1.174
  444    HA   ALA  63           HA       ALA  63   5.985  -1.179  -1.179
  445   1HB   ALA  63          3HB       ALA  63   7.063  -3.116  -3.116
  446   2HB   ALA  63          2HB       ALA  63   5.460  -3.639  -3.639
  447   3HB   ALA  63          1HB       ALA  63   5.841  -3.666  -3.666
  448    H    ALA  64           H        ALA  64   4.345  -2.746  -2.746
  449    HA   ALA  64           HA       ALA  64   1.617  -1.779  -1.779
  450   1HB   ALA  64          3HB       ALA  64   2.492  -1.497  -1.497
  451   2HB   ALA  64          2HB       ALA  64   2.697  -3.257  -3.257
  452   3HB   ALA  64          1HB       ALA  64   1.068  -2.572  -2.572
  453    H    GLY  65           H        GLY  65   0.343  -3.909  -3.909
  454   1HA   GLY  65          1HA       GLY  65   0.710  -6.510  -6.510
  455   2HA   GLY  65          2HA       GLY  65   0.301  -5.980  -5.980
  456    H    ASN  66           H        ASN  66  -1.073  -7.570  -7.570
  457    HA   ASN  66           HA       ASN  66  -3.205  -7.853  -7.853
  458   1HB   ASN  66          2HB       ASN  66  -3.716  -6.341  -6.341
  459   2HB   ASN  66          1HB       ASN  66  -5.056  -6.789  -6.789
  460   1HD2  ASN  66          1HD2      ASN  66  -4.180  -7.609  -7.609
  461   2HD2  ASN  66          2HD2      ASN  66  -4.120  -9.374  -9.374
  462    H    VAL  67           H        VAL  67  -3.571  -6.856  -6.856
  463    HA   VAL  67           HA       VAL  67  -4.530  -4.062  -4.062
  464    HB   VAL  67           HB       VAL  67  -3.197  -3.758  -3.758
  465   1HG1  VAL  67          1HG1      VAL  67  -1.862  -3.693  -3.693
  466   2HG1  VAL  67          3HG1      VAL  67  -1.279  -2.831  -2.831
  467   3HG1  VAL  67          2HG1      VAL  67  -2.845  -2.407  -2.407
  468   1HG2  VAL  67          1HG2      VAL  67  -2.342  -6.054  -6.054
  469   2HG2  VAL  67          3HG2      VAL  67  -0.989  -4.910  -4.910
  470   3HG2  VAL  67          2HG2      VAL  67  -1.534  -5.913  -5.913
  471    H    THR  68           H        THR  68  -6.464  -3.926  -3.926
  472    HA   THR  68           HA       THR  68  -7.036  -5.948  -5.948
  473    HB   THR  68           HB       THR  68  -8.639  -6.626  -6.626
  474    HG1  THR  68           HG1      THR  68 -10.485  -5.555  -5.555
  475   1HG2  THR  68          2HG2      THR  68  -8.147  -3.845  -3.845
  476   2HG2  THR  68          1HG2      THR  68  -9.733  -4.582  -4.582
  477   3HG2  THR  68          3HG2      THR  68  -8.263  -5.389  -5.389
  478    H    SER  69           H        SER  69  -7.198  -5.067  -5.067
  479    HA   SER  69           HA       SER  69  -6.998  -2.378  -2.378
  480   1HB   SER  69          2HB       SER  69  -8.190  -2.969  -2.969
  481   2HB   SER  69          1HB       SER  69  -6.726  -3.893  -3.893
  482    HG   SER  69           HG       SER  69  -9.435  -4.697  -4.697
  483    H    LEU  70           H        LEU  70  -8.341  -0.605  -0.605
  484    HA   LEU  70           HA       LEU  70 -11.230  -1.070  -1.070
  485   1HB   LEU  70          2HB       LEU  70 -11.569  -0.141  -0.141
  486   2HB   LEU  70          1HB       LEU  70  -9.938  -0.786  -0.786
  487    HG   LEU  70           HG       LEU  70  -9.213   1.582   1.582
  488   1HD1  LEU  70          1HD1      LEU  70 -12.024   2.153   2.153
  489   2HD1  LEU  70          3HD1      LEU  70 -10.772   3.386   3.386
  490   3HD1  LEU  70          2HD1      LEU  70 -11.414   2.417   2.417
  491   1HD2  LEU  70          1HD2      LEU  70  -8.705   0.699   0.699
  492   2HD2  LEU  70          3HD2      LEU  70  -9.207   2.406   2.406
  493   3HD2  LEU  70          2HD2      LEU  70 -10.336   1.112   1.112

  Start of MODEL   10
    1    H    SER   2           H        SER   2  -7.827   3.240   3.240
    2    HA   SER   2           HA       SER   2  -8.279   1.952   1.952
    3   1HB   SER   2          2HB       SER   2 -10.755   2.428   2.428
    4   2HB   SER   2          1HB       SER   2 -10.850   1.040   1.040
    5    HG   SER   2           HG       SER   2  -9.561   0.380   0.380
    6    H    GLY   3           H        GLY   3 -10.026   0.027   0.027
    7   1HA   GLY   3          1HA       GLY   3  -8.175  -2.185  -2.185
    8   2HA   GLY   3          2HA       GLY   3  -9.506  -2.052  -2.052
    9    H    LYS   4           H        LYS   4  -8.931  -1.868  -1.868
   10    HA   LYS   4           HA       LYS   4  -6.118  -1.339  -1.339
   11   1HB   LYS   4          2HB       LYS   4  -8.445  -2.421  -2.421
   12   2HB   LYS   4          1HB       LYS   4  -7.001  -1.836  -1.836
   13   1HG   LYS   4          2HG       LYS   4  -6.428  -4.066  -4.066
   14   2HG   LYS   4          1HG       LYS   4  -5.746  -3.345  -3.345
   15   1HD   LYS   4          2HD       LYS   4  -8.219  -3.850  -3.850
   16   2HD   LYS   4          1HD       LYS   4  -8.177  -5.078  -5.078
   17   1HE   LYS   4          2HE       LYS   4  -7.371  -6.137  -6.137
   18   2HE   LYS   4          1HE       LYS   4  -5.947  -5.847  -5.847
   19   1HZ   LYS   4          1HZ       LYS   4  -6.858  -4.132  -4.132
   20   2HZ   LYS   4          3HZ       LYS   4  -5.575  -5.202  -5.202
   21   3HZ   LYS   4          2HZ       LYS   4  -5.515  -3.862  -3.862
   22    H    MET   5           H        MET   5  -6.379  -0.156  -0.156
   23    HA   MET   5           HA       MET   5  -7.975   2.254   2.254
   24   1HB   MET   5          2HB       MET   5  -5.893   3.758   3.758
   25   2HB   MET   5          1HB       MET   5  -6.350   3.080   3.080
   26   1HG   MET   5          2HG       MET   5  -4.655   1.281   1.281
   27   2HG   MET   5          1HG       MET   5  -4.214   1.964   1.964
   28   1HE   MET   5          1HE       MET   5  -4.088   2.270   2.270
   29   2HE   MET   5          3HE       MET   5  -3.520   3.941   3.941
   30   3HE   MET   5          2HE       MET   5  -5.147   3.641   3.641
   31    H    THR   6           H        THR   6  -7.703   3.597   3.597
   32    HA   THR   6           HA       THR   6  -6.820   1.926   1.926
   33    HB   THR   6           HB       THR   6  -8.182   3.512   3.512
   34    HG1  THR   6           HG1      THR   6  -8.323   5.467   5.467
   35   1HG2  THR   6          2HG2      THR   6  -9.281   2.562   2.562
   36   2HG2  THR   6          1HG2      THR   6 -10.233   3.757   3.757
   37   3HG2  THR   6          3HG2      THR   6  -9.873   2.185   2.185
   38    H    GLY   7           H        GLY   7  -5.321   2.660   2.660
   39   1HA   GLY   7          1HA       GLY   7  -3.850   5.158   5.158
   40   2HA   GLY   7          2HA       GLY   7  -2.920   3.690   3.690
   41    H    ILE   8           H        ILE   8  -1.493   4.183   4.183
   42    HA   ILE   8           HA       ILE   8  -2.575   3.109   3.109
   43    HB   ILE   8           HB       ILE   8  -2.396   4.858   4.858
   44   1HG1  ILE   8          2HG1      ILE   8  -0.856   6.927   6.927
   45   2HG1  ILE   8          1HG1      ILE   8  -0.065   5.633   5.633
   46   1HG2  ILE   8          1HG2      ILE   8  -2.780   6.249   6.249
   47   2HG2  ILE   8          3HG2      ILE   8  -3.166   6.961   6.961
   48   3HG2  ILE   8          2HG2      ILE   8  -4.044   5.528   5.528
   49   1HD1  ILE   8          1HD1      ILE   8  -0.588   5.623   5.623
   50   2HD1  ILE   8          3HD1      ILE   8   0.982   5.929   5.929
   51   3HD1  ILE   8          2HD1      ILE   8   0.220   4.330   4.330
   52    H    VAL   9           H        VAL   9  -1.008   2.038   2.038
   53    HA   VAL   9           HA       VAL   9   1.594   1.771   1.771
   54    HB   VAL   9           HB       VAL   9   0.734  -0.290  -0.290
   55   1HG1  VAL   9          1HG1      VAL   9  -0.316   0.477   0.477
   56   2HG1  VAL   9          3HG1      VAL   9  -0.495  -1.129  -1.129
   57   3HG1  VAL   9          2HG1      VAL   9  -1.275   0.292   0.292
   58   1HG2  VAL   9          1HG2      VAL   9   2.973  -0.270  -0.270
   59   2HG2  VAL   9          3HG2      VAL   9   1.933  -1.461  -1.461
   60   3HG2  VAL   9          2HG2      VAL   9   2.278   0.105   0.105
   61    H    LYS  10           H        LYS  10   3.541   2.356   2.356
   62    HA   LYS  10           HA       LYS  10   3.292   3.717   3.717
   63   1HB   LYS  10          2HB       LYS  10   4.551   4.465   4.465
   64   2HB   LYS  10          1HB       LYS  10   5.699   4.537   4.537
   65   1HG   LYS  10          2HG       LYS  10   2.920   5.791   5.791
   66   2HG   LYS  10          1HG       LYS  10   4.394   6.673   6.673
   67   1HD   LYS  10          2HD       LYS  10   5.079   6.839   6.839
   68   2HD   LYS  10          1HD       LYS  10   4.583   5.179   5.179
   69   1HE   LYS  10          2HE       LYS  10   2.435   5.829   5.829
   70   2HE   LYS  10          1HE       LYS  10   2.433   7.226   7.226
   71   1HZ   LYS  10          1HZ       LYS  10   3.969   7.000   7.000
   72   2HZ   LYS  10          3HZ       LYS  10   2.568   7.881   7.881
   73   3HZ   LYS  10          2HZ       LYS  10   3.962   8.318   8.318
   74    H    TRP  11           H        TRP  11   5.828   2.016   2.016
   75    HA   TRP  11           HA       TRP  11   6.558   0.571   0.571
   76   1HB   TRP  11          2HB       TRP  11   8.775   0.907   0.907
   77   2HB   TRP  11          1HB       TRP  11   8.666   1.218   1.218
   78    HD1  TRP  11           HD1      TRP  11   8.343   3.097   3.097
   79    HE1  TRP  11           HE1      TRP  11   8.328   5.509   5.509
   80    HE3  TRP  11           HE3      TRP  11   8.060   3.011   3.011
   81    HZ2  TRP  11           HZ2      TRP  11   8.202   7.379   7.379
   82    HZ3  TRP  11           HZ3      TRP  11   8.000   5.221   5.221
   83    HH2  TRP  11           HH2      TRP  11   8.066   7.313   7.313
   84    H    PHE  12           H        PHE  12   7.717  -1.541  -1.541
   85    HA   PHE  12           HA       PHE  12   7.517  -2.753  -2.753
   86   1HB   PHE  12          2HB       PHE  12   5.675  -4.141  -4.141
   87   2HB   PHE  12          1HB       PHE  12   5.094  -2.578  -2.578
   88    HD1  PHE  12           HD1      PHE  12   6.476  -2.632  -2.632
   89    HD2  PHE  12           HD2      PHE  12   4.063  -5.504  -5.504
   90    HE1  PHE  12           HE1      PHE  12   5.728  -3.622  -3.622
   91    HE2  PHE  12           HE2      PHE  12   3.320  -6.488  -6.488
   92    HZ   PHE  12           HZ       PHE  12   4.152  -5.551  -5.551
   93    H    ASN  13           H        ASN  13   8.627  -4.724  -4.724
   94    HA   ASN  13           HA       ASN  13   9.724  -5.637  -5.637
   95   1HB   ASN  13          2HB       ASN  13  11.108  -4.684  -4.684
   96   2HB   ASN  13          1HB       ASN  13  11.443  -6.415  -6.415
   97   1HD2  ASN  13          1HD2      ASN  13  11.553  -6.886  -6.886
   98   2HD2  ASN  13          2HD2      ASN  13  12.779  -5.926  -5.926
   99    H    ALA  14           H        ALA  14   9.972  -7.899  -7.899
  100    HA   ALA  14           HA       ALA  14   8.397  -9.535  -9.535
  101   1HB   ALA  14          3HB       ALA  14   7.663  -9.516  -9.516
  102   2HB   ALA  14          2HB       ALA  14   9.275 -10.084 -10.084
  103   3HB   ALA  14          1HB       ALA  14   8.232 -11.130 -11.130
  104    H    ASP  15           H        ASP  15  11.292  -9.685  -9.685
  105    HA   ASP  15           HA       ASP  15  12.369 -12.039 -12.039
  106   1HB   ASP  15          2HB       ASP  15  13.389  -9.810  -9.810
  107   2HB   ASP  15          1HB       ASP  15  14.576 -10.847 -10.847
  108    H    LYS  16           H        LYS  16  11.902  -8.953  -8.953
  109    HA   LYS  16           HA       LYS  16  14.019  -9.486  -9.486
  110   1HB   LYS  16          2HB       LYS  16  13.586  -6.651  -6.651
  111   2HB   LYS  16          1HB       LYS  16  15.086  -7.585  -7.585
  112   1HG   LYS  16          2HG       LYS  16  14.596  -8.020  -8.020
  113   2HG   LYS  16          1HG       LYS  16  13.003  -7.252  -7.252
  114   1HD   LYS  16          2HD       LYS  16  14.485  -5.650  -5.650
  115   2HD   LYS  16          1HD       LYS  16  14.208  -5.110  -5.110
  116   1HE   LYS  16          2HE       LYS  16  16.522  -6.942  -6.942
  117   2HE   LYS  16          1HE       LYS  16  16.684  -5.374  -5.374
  118   1HZ   LYS  16          1HZ       LYS  16  16.032  -5.784  -5.784
  119   2HZ   LYS  16          3HZ       LYS  16  17.514  -5.316  -5.316
  120   3HZ   LYS  16          2HZ       LYS  16  16.198  -4.312  -4.312
  121    H    GLY  17           H        GLY  17  10.750  -8.693  -8.693
  122   1HA   GLY  17          1HA       GLY  17   8.866  -8.301  -8.301
  123   2HA   GLY  17          2HA       GLY  17   9.683  -9.230  -9.230
  124    H    PHE  18           H        PHE  18   9.549  -5.948  -5.948
  125    HA   PHE  18           HA       PHE  18  10.005  -4.743  -4.743
  126   1HB   PHE  18          2HB       PHE  18  11.554  -4.446  -4.446
  127   2HB   PHE  18          1HB       PHE  18  11.027  -2.927  -2.927
  128    HD1  PHE  18           HD2      PHE  18  12.910  -6.074  -6.074
  129    HD2  PHE  18           HD1      PHE  18  12.108  -1.969  -1.969
  130    HE1  PHE  18           HE2      PHE  18  14.777  -6.142  -6.142
  131    HE2  PHE  18           HE1      PHE  18  13.979  -2.046  -2.046
  132    HZ   PHE  18           HZ       PHE  18  15.314  -4.131  -4.131
  133    H    GLY  19           H        GLY  19   7.507  -5.429  -5.429
  134   1HA   GLY  19          1HA       GLY  19   6.301  -3.475  -3.475
  135   2HA   GLY  19          2HA       GLY  19   5.462  -4.316  -4.316
  136    H    PHE  20           H        PHE  20   6.861  -1.326  -1.326
  137    HA   PHE  20           HA       PHE  20   6.693  -0.038  -0.038
  138   1HB   PHE  20          2HB       PHE  20   8.369   0.245   0.245
  139   2HB   PHE  20          1HB       PHE  20   7.448   1.728   1.728
  140    HD1  PHE  20           HD1      PHE  20   9.489  -0.657  -0.657
  141    HD2  PHE  20           HD2      PHE  20   8.223   3.418   3.418
  142    HE1  PHE  20           HE1      PHE  20  11.014   0.133   0.133
  143    HE2  PHE  20           HE2      PHE  20   9.754   4.200   4.200
  144    HZ   PHE  20           HZ       PHE  20  11.151   2.560   2.560
  145    H    ILE  21           H        ILE  21   4.637   0.562   0.562
  146    HA   ILE  21           HA       ILE  21   2.953   1.605   1.605
  147    HB   ILE  21           HB       ILE  21   1.896   1.172   1.172
  148   1HG1  ILE  21          2HG1      ILE  21   2.573  -1.103  -1.103
  149   2HG1  ILE  21          1HG1      ILE  21   3.305  -0.803  -0.803
  150   1HG2  ILE  21          1HG2      ILE  21   0.806   0.654   0.654
  151   2HG2  ILE  21          3HG2      ILE  21  -0.087   0.370   0.370
  152   3HG2  ILE  21          2HG2      ILE  21   0.404   2.015   2.015
  153   1HD1  ILE  21          1HD1      ILE  21   0.356  -1.439  -1.439
  154   2HD1  ILE  21          3HD1      ILE  21   1.577  -2.572  -2.572
  155   3HD1  ILE  21          2HD1      ILE  21   1.084  -1.157  -1.157
  156    H    THR  22           H        THR  22   1.317   3.415   3.415
  157    HA   THR  22           HA       THR  22   2.830   5.293   5.293
  158    HB   THR  22           HB       THR  22   2.378   5.642   5.642
  159    HG1  THR  22           HG1      THR  22   4.197   7.109   7.109
  160   1HG2  THR  22          2HG2      THR  22   1.691   7.678   7.678
  161   2HG2  THR  22          1HG2      THR  22   2.698   8.221   8.221
  162   3HG2  THR  22          3HG2      THR  22   1.074   7.578   7.578
  163    HA   PRO  23           HA       PRO  23  -1.477   5.302   5.302
  164   1HB   PRO  23          2HB       PRO  23  -0.878   6.163   6.163
  165   2HB   PRO  23          1HB       PRO  23  -0.929   4.461   4.461
  166   1HG   PRO  23          2HG       PRO  23   1.379   6.183   6.183
  167   2HG   PRO  23          1HG       PRO  23   1.270   4.413   4.413
  168   1HD   PRO  23          2HD       PRO  23   2.412   6.187   6.187
  169   2HD   PRO  23          1HD       PRO  23   2.200   4.429   4.429
  170    H    ASP  24           H        ASP  24  -2.427   7.190   7.190
  171    HA   ASP  24           HA       ASP  24  -1.664   9.798   9.798
  172   1HB   ASP  24          2HB       ASP  24  -4.406   8.541   8.541
  173   2HB   ASP  24          1HB       ASP  24  -4.192  10.302  10.302
  174    H    ASP  25           H        ASP  25  -2.001   7.885   7.885
  175    HA   ASP  25           HA       ASP  25  -3.416   9.269   9.269
  176   1HB   ASP  25          2HB       ASP  25  -1.882   8.426   8.426
  177   2HB   ASP  25          1HB       ASP  25  -2.059   7.204   7.204
  178    H    GLY  26           H        GLY  26  -0.106  10.017  10.017
  179   1HA   GLY  26          1HA       GLY  26  -0.345  12.812  12.812
  180   2HA   GLY  26          2HA       GLY  26   0.347  12.256  12.256
  181    H    SER  27           H        SER  27   0.717  10.923  10.923
  182    HA   SER  27           HA       SER  27   2.539  10.749  10.749
  183   1HB   SER  27          2HB       SER  27   4.381  12.341  12.341
  184   2HB   SER  27          1HB       SER  27   4.145  12.378  12.378
  185    HG   SER  27           HG       SER  27   3.201  14.231  14.231
  186    H    LYS  28           H        LYS  28   3.757   8.930   8.930
  187    HA   LYS  28           HA       LYS  28   5.798   8.212   8.212
  188   1HB   LYS  28          2HB       LYS  28   3.263   7.799   7.799
  189   2HB   LYS  28          1HB       LYS  28   4.060   6.233   6.233
  190   1HG   LYS  28          2HG       LYS  28   5.813   6.756   6.756
  191   2HG   LYS  28          1HG       LYS  28   5.769   8.480   8.480
  192   1HD   LYS  28          2HD       LYS  28   3.473   8.454   8.454
  193   2HD   LYS  28          1HD       LYS  28   4.074   6.934   6.934
  194   1HE   LYS  28          2HE       LYS  28   5.122   8.232   8.232
  195   2HE   LYS  28          1HE       LYS  28   6.249   8.672   8.672
  196   1HZ   LYS  28          1HZ       LYS  28   3.748  10.095  10.095
  197   2HZ   LYS  28          3HZ       LYS  28   5.297  10.592  10.592
  198   3HZ   LYS  28          2HZ       LYS  28   4.807  10.524  10.524
  199    H    ASP  29           H        ASP  29   5.813   5.452   5.452
  200    HA   ASP  29           HA       ASP  29   4.763   4.438   4.438
  201   1HB   ASP  29          2HB       ASP  29   7.241   3.643   3.643
  202   2HB   ASP  29          1HB       ASP  29   6.632   5.188   5.188
  203    H    VAL  30           H        VAL  30   4.182   2.363   2.363
  204    HA   VAL  30           HA       VAL  30   5.444   1.012   1.012
  205    HB   VAL  30           HB       VAL  30   3.473  -0.551  -0.551
  206   1HG1  VAL  30          1HG1      VAL  30   3.020   2.339   2.339
  207   2HG1  VAL  30          3HG1      VAL  30   1.963   0.962   0.962
  208   3HG1  VAL  30          2HG1      VAL  30   3.632   1.016   1.016
  209   1HG2  VAL  30          1HG2      VAL  30   2.785   0.174   0.174
  210   2HG2  VAL  30          3HG2      VAL  30   1.471   0.471   0.471
  211   3HG2  VAL  30          2HG2      VAL  30   2.477   1.816   1.816
  212    H    PHE  31           H        PHE  31   7.133  -0.274  -0.274
  213    HA   PHE  31           HA       PHE  31   7.309  -1.485  -1.485
  214   1HB   PHE  31          2HB       PHE  31   9.537  -1.640  -1.640
  215   2HB   PHE  31          1HB       PHE  31   9.172  -0.295  -0.295
  216    HD1  PHE  31           HD2      PHE  31   9.560  -4.043  -4.043
  217    HD2  PHE  31           HD1      PHE  31   9.736  -0.363  -0.363
  218    HE1  PHE  31           HE2      PHE  31  10.516  -5.274  -5.274
  219    HE2  PHE  31           HE1      PHE  31  10.693  -1.603  -1.603
  220    HZ   PHE  31           HZ       PHE  31  11.084  -4.059  -4.059
  221    H    VAL  32           H        VAL  32   6.596  -3.505  -3.505
  222    HA   VAL  32           HA       VAL  32   6.932  -5.603  -5.603
  223    HB   VAL  32           HB       VAL  32   5.021  -4.888  -4.888
  224   1HG1  VAL  32          1HG1      VAL  32   3.798  -4.364  -4.364
  225   2HG1  VAL  32          3HG1      VAL  32   2.954  -4.159  -4.159
  226   3HG1  VAL  32          2HG1      VAL  32   4.353  -3.142  -3.142
  227   1HG2  VAL  32          1HG2      VAL  32   4.848  -7.278  -7.278
  228   2HG2  VAL  32          3HG2      VAL  32   3.232  -6.522  -6.522
  229   3HG2  VAL  32          2HG2      VAL  32   4.077  -6.892  -6.892
  230    H    HIS  33           H        HIS  33   6.442  -7.750  -7.750
  231    HA   HIS  33           HA       HIS  33   7.196  -7.853  -7.853
  232   1HB   HIS  33          2HB       HIS  33   7.862  -9.630  -9.630
  233   2HB   HIS  33          1HB       HIS  33   6.216  -9.898  -9.898
  234    HD1  HIS  33           HD1      HIS  33   7.939 -10.010 -10.010
  235    HD2  HIS  33           HD2      HIS  33   5.112 -12.202 -12.202
  236    HE1  HIS  33           HE1      HIS  33   7.259 -11.863 -11.863
  237    H    PHE  34           H        PHE  34   5.659  -6.509  -6.509
  238    HA   PHE  34           HA       PHE  34   3.661  -6.078  -6.078
  239   1HB   PHE  34          2HB       PHE  34   3.704  -9.112  -9.112
  240   2HB   PHE  34          1HB       PHE  34   2.593  -8.127  -8.127
  241    HD1  PHE  34           HD1      PHE  34   5.269  -6.038  -6.038
  242    HD2  PHE  34           HD2      PHE  34   4.175  -9.997  -9.997
  243    HE1  PHE  34           HE1      PHE  34   6.916  -5.865  -5.865
  244    HE2  PHE  34           HE2      PHE  34   5.827  -9.815  -9.815
  245    HZ   PHE  34           HZ       PHE  34   7.199  -7.751  -7.751
  246    H    SER  35           H        SER  35   3.623  -6.329  -6.329
  247    HA   SER  35           HA       SER  35   2.128  -6.710  -6.710
  248   1HB   SER  35          2HB       SER  35   1.160  -4.787  -4.787
  249   2HB   SER  35          1HB       SER  35  -0.237  -5.693  -5.693
  250    HG   SER  35           HG       SER  35   0.292  -3.858  -3.858
  251    H    ALA  36           H        ALA  36   2.397  -8.999  -8.999
  252    HA   ALA  36           HA       ALA  36   1.263 -10.949 -10.949
  253   1HB   ALA  36          3HB       ALA  36   1.243 -11.081 -11.081
  254   2HB   ALA  36          2HB       ALA  36  -0.307 -10.215 -10.215
  255   3HB   ALA  36          1HB       ALA  36  -0.212 -11.830 -11.830
  256    H    ILE  37           H        ILE  37   0.338  -9.290  -9.290
  257    HA   ILE  37           HA       ILE  37  -2.211  -8.266  -8.266
  258    HB   ILE  37           HB       ILE  37  -2.328  -8.572  -8.572
  259   1HG1  ILE  37          2HG1      ILE  37  -0.194 -10.532 -10.532
  260   2HG1  ILE  37          1HG1      ILE  37  -1.340 -10.449 -10.449
  261   1HG2  ILE  37          1HG2      ILE  37   0.326  -7.548  -7.548
  262   2HG2  ILE  37          3HG2      ILE  37  -0.330  -7.185  -7.185
  263   3HG2  ILE  37          2HG2      ILE  37  -1.183  -6.630  -6.630
  264   1HD1  ILE  37          1HD1      ILE  37   1.192  -8.755  -8.755
  265   2HD1  ILE  37          3HD1      ILE  37   0.994 -10.160 -10.160
  266   3HD1  ILE  37          2HD1      ILE  37   0.061  -8.678  -8.678
  267    H    GLN  38           H        GLN  38  -4.107  -9.286  -9.286
  268    HA   GLN  38           HA       GLN  38  -4.650 -11.918 -11.918
  269   1HB   GLN  38          2HB       GLN  38  -6.748 -10.183 -10.183
  270   2HB   GLN  38          1HB       GLN  38  -6.951 -11.436 -11.436
  271   1HG   GLN  38          2HG       GLN  38  -5.955  -8.596  -8.596
  272   2HG   GLN  38          1HG       GLN  38  -7.175  -9.452  -9.452
  273   1HE2  GLN  38          1HE2      GLN  38  -4.185  -8.158  -8.158
  274   2HE2  GLN  38          2HE2      GLN  38  -3.394  -9.142  -9.142
  275    H    ASN  39           H        ASN  39  -2.924 -11.574 -11.574
  276    HA   ASN  39           HA       ASN  39  -4.533 -12.352 -12.352
  277   1HB   ASN  39          2HB       ASN  39  -2.448 -12.395 -12.395
  278   2HB   ASN  39          1HB       ASN  39  -2.333 -11.017 -11.017
  279   1HD2  ASN  39          1HD2      ASN  39  -0.468 -13.116 -13.116
  280   2HD2  ASN  39          2HD2      ASN  39   0.608 -13.622 -13.622
  281    H    ASP  40           H        ASP  40  -3.282 -14.354 -14.354
  282    HA   ASP  40           HA       ASP  40  -2.718 -16.566 -16.566
  283   1HB   ASP  40          2HB       ASP  40  -4.447 -17.992 -17.992
  284   2HB   ASP  40          1HB       ASP  40  -5.066 -16.823 -16.823
  285    H    GLY  41           H        GLY  41  -1.299 -15.021 -15.021
  286   1HA   GLY  41          1HA       GLY  41   0.126 -16.977 -16.977
  287   2HA   GLY  41          2HA       GLY  41  -1.232 -16.650 -16.650
  288    H    TYR  42           H        TYR  42  -1.530 -13.803 -13.803
  289    HA   TYR  42           HA       TYR  42   0.883 -12.838 -12.838
  290   1HB   TYR  42          1HB       TYR  42  -1.970 -11.852 -11.852
  291   2HB   TYR  42          2HB       TYR  42  -0.699 -10.702 -10.702
  292    HD1  TYR  42           HD1      TYR  42  -1.340 -14.250 -14.250
  293    HD2  TYR  42           HD2      TYR  42  -0.752 -10.100 -10.100
  294    HE1  TYR  42           HE1      TYR  42  -1.442 -14.850 -14.850
  295    HE2  TYR  42           HE2      TYR  42  -0.853 -10.703 -10.703
  296    HH   TYR  42           HH       TYR  42  -1.086 -12.396 -12.396
  297    H    LYS  43           H        LYS  43   2.345 -12.788 -12.788
  298    HA   LYS  43           HA       LYS  43   1.629 -11.448 -11.448
  299   1HB   LYS  43          2HB       LYS  43   3.932 -11.774 -11.774
  300   2HB   LYS  43          1HB       LYS  43   3.310 -13.243 -13.243
  301   1HG   LYS  43          2HG       LYS  43   4.917 -11.096 -11.096
  302   2HG   LYS  43          1HG       LYS  43   5.646 -12.541 -12.541
  303   1HD   LYS  43          2HD       LYS  43   5.321 -13.364 -13.364
  304   2HD   LYS  43          1HD       LYS  43   3.714 -13.731 -13.731
  305   1HE   LYS  43          2HE       LYS  43   2.872 -12.491 -12.491
  306   2HE   LYS  43          1HE       LYS  43   3.522 -11.066 -11.066
  307   1HZ   LYS  43          1HZ       LYS  43   4.959 -12.709 -12.709
  308   2HZ   LYS  43          3HZ       LYS  43   4.278 -11.209 -11.209
  309   3HZ   LYS  43          2HZ       LYS  43   5.568 -11.368 -11.368
  310    H    SER  44           H        SER  44   1.417 -10.059 -10.059
  311    HA   SER  44           HA       SER  44   3.170  -7.738  -7.738
  312   1HB   SER  44          2HB       SER  44   2.165  -8.999  -8.999
  313   2HB   SER  44          1HB       SER  44   1.730  -7.280  -7.280
  314    HG   SER  44           HG       SER  44   3.805  -7.646  -7.646
  315    H    LEU  45           H        LEU  45   2.320  -5.638  -5.638
  316    HA   LEU  45           HA       LEU  45  -0.609  -5.618  -5.618
  317   1HB   LEU  45          2HB       LEU  45   0.958  -5.501  -5.501
  318   2HB   LEU  45          1HB       LEU  45   1.384  -3.876  -3.876
  319    HG   LEU  45           HG       LEU  45  -0.922  -3.178  -3.178
  320   1HD1  LEU  45          1HD1      LEU  45  -1.456  -5.981  -5.981
  321   2HD1  LEU  45          3HD1      LEU  45  -2.608  -4.619  -4.619
  322   3HD1  LEU  45          2HD1      LEU  45  -2.089  -5.272  -5.272
  323   1HD2  LEU  45          1HD2      LEU  45   0.560  -2.852  -2.852
  324   2HD2  LEU  45          3HD2      LEU  45  -1.094  -3.218  -3.218
  325   3HD2  LEU  45          2HD2      LEU  45   0.165  -4.469  -4.469
  326    H    ASP  46           H        ASP  46  -1.428  -3.161  -3.161
  327    HA   ASP  46           HA       ASP  46  -0.765  -2.163  -2.163
  328   1HB   ASP  46          2HB       ASP  46  -2.764  -1.562  -1.562
  329   2HB   ASP  46          1HB       ASP  46  -2.389  -0.284  -0.284
  330    H    GLU  47           H        GLU  47   1.411  -1.436  -1.436
  331    HA   GLU  47           HA       GLU  47   2.457   0.131   0.131
  332   1HB   GLU  47          2HB       GLU  47   4.119   0.916   0.916
  333   2HB   GLU  47          1HB       GLU  47   3.785  -0.809  -0.809
  334   1HG   GLU  47          2HG       GLU  47   1.954   0.231   0.231
  335   2HG   GLU  47          1HG       GLU  47   3.124   1.565   1.565
  336    H    GLY  48           H        GLY  48   1.212   1.749   1.749
  337   1HA   GLY  48          1HA       GLY  48   0.708   4.059   4.059
  338   2HA   GLY  48          2HA       GLY  48   0.795   4.148   4.148
  339    H    GLN  49           H        GLN  49  -1.118   2.680   2.680
  340    HA   GLN  49           HA       GLN  49  -3.571   3.507   3.507
  341   1HB   GLN  49          2HB       GLN  49  -3.268   1.382   1.382
  342   2HB   GLN  49          1HB       GLN  49  -2.946   0.561   0.561
  343   1HG   GLN  49          2HG       GLN  49  -5.209   0.796   0.796
  344   2HG   GLN  49          1HG       GLN  49  -5.548   2.037   2.037
  345   1HE2  GLN  49          1HE2      GLN  49  -5.795  -1.186  -1.186
  346   2HE2  GLN  49          2HE2      GLN  49  -6.186  -1.903  -1.903
  347    H    LYS  50           H        LYS  50  -5.464   3.306   3.306
  348    HA   LYS  50           HA       LYS  50  -4.650   3.714   3.714
  349   1HB   LYS  50          2HB       LYS  50  -6.458   4.978   4.978
  350   2HB   LYS  50          1HB       LYS  50  -7.495   3.565   3.565
  351   1HG   LYS  50          2HG       LYS  50  -8.030   4.720   4.720
  352   2HG   LYS  50          1HG       LYS  50  -6.545   3.959   3.959
  353   1HD   LYS  50          2HD       LYS  50  -5.844   6.071   6.071
  354   2HD   LYS  50          1HD       LYS  50  -5.604   6.231   6.231
  355   1HE   LYS  50          2HE       LYS  50  -6.968   8.094   8.094
  356   2HE   LYS  50          1HE       LYS  50  -7.865   7.160   7.160
  357   1HZ   LYS  50          1HZ       LYS  50  -8.049   6.818   6.818
  358   2HZ   LYS  50          3HZ       LYS  50  -9.170   7.583   7.583
  359   3HZ   LYS  50          2HZ       LYS  50  -8.904   5.951   5.951
  360    H    VAL  51           H        VAL  51  -4.243   2.083   2.083
  361    HA   VAL  51           HA       VAL  51  -6.085  -0.228  -0.228
  362    HB   VAL  51           HB       VAL  51  -4.505  -1.822  -1.822
  363   1HG1  VAL  51          1HG1      VAL  51  -3.417   0.470   0.470
  364   2HG1  VAL  51          3HG1      VAL  51  -3.048  -1.259  -1.259
  365   3HG1  VAL  51          2HG1      VAL  51  -4.705  -0.662  -0.662
  366   1HG2  VAL  51          1HG2      VAL  51  -2.970  -1.053  -1.053
  367   2HG2  VAL  51          3HG2      VAL  51  -2.052  -1.494  -1.494
  368   3HG2  VAL  51          2HG2      VAL  51  -2.338   0.214   0.214
  369    H    SER  52           H        SER  52  -6.374  -1.223  -1.223
  370    HA   SER  52           HA       SER  52  -5.494   0.506   0.506
  371   1HB   SER  52          2HB       SER  52  -7.176  -1.831  -1.831
  372   2HB   SER  52          1HB       SER  52  -7.377  -0.124  -0.124
  373    HG   SER  52           HG       SER  52  -7.991  -1.280  -1.280
  374    H    PHE  53           H        PHE  53  -5.102  -0.868  -0.868
  375    HA   PHE  53           HA       PHE  53  -3.766  -3.438  -3.438
  376   1HB   PHE  53          2HB       PHE  53  -1.506  -2.332  -2.332
  377   2HB   PHE  53          1HB       PHE  53  -1.915  -2.525  -2.525
  378    HD1  PHE  53           HD1      PHE  53  -2.216   0.045   0.045
  379    HD2  PHE  53           HD2      PHE  53  -1.752  -0.712  -0.712
  380    HE1  PHE  53           HE1      PHE  53  -1.908   2.476   2.476
  381    HE2  PHE  53           HE2      PHE  53  -1.444   1.722   1.722
  382    HZ   PHE  53           HZ       PHE  53  -1.521   3.319   3.319
  383    H    THR  54           H        THR  54  -2.265  -3.662  -3.662
  384    HA   THR  54           HA       THR  54  -3.925  -2.547  -2.547
  385    HB   THR  54           HB       THR  54  -4.263  -4.962  -4.962
  386    HG1  THR  54           HG1      THR  54  -3.952  -4.441  -4.441
  387   1HG2  THR  54          2HG2      THR  54  -1.268  -4.914  -4.914
  388   2HG2  THR  54          1HG2      THR  54  -1.919  -6.232  -6.232
  389   3HG2  THR  54          3HG2      THR  54  -2.482  -6.034  -6.034
  390    H    ILE  55           H        ILE  55  -2.377  -0.631  -0.631
  391    HA   ILE  55           HA       ILE  55   0.285  -0.552  -0.552
  392    HB   ILE  55           HB       ILE  55  -1.857   1.111   1.111
  393   1HG1  ILE  55          2HG1      ILE  55   0.013   1.190   1.190
  394   2HG1  ILE  55          1HG1      ILE  55  -1.671   1.736   1.736
  395   1HG2  ILE  55          1HG2      ILE  55   1.110   1.607   1.607
  396   2HG2  ILE  55          3HG2      ILE  55  -0.190   2.790   2.790
  397   3HG2  ILE  55          2HG2      ILE  55  -0.123   1.276   1.276
  398   1HD1  ILE  55          1HD1      ILE  55   0.773   3.194   3.194
  399   2HD1  ILE  55          3HD1      ILE  55  -0.125   3.642   3.642
  400   3HD1  ILE  55          2HD1      ILE  55  -0.906   3.758   3.758
  401    H    GLU  56           H        GLU  56   1.791  -1.498  -1.498
  402    HA   GLU  56           HA       GLU  56   1.319  -1.660  -1.660
  403   1HB   GLU  56          2HB       GLU  56   0.936  -3.968  -3.968
  404   2HB   GLU  56          1HB       GLU  56   2.283  -4.243  -4.243
  405   1HG   GLU  56          2HG       GLU  56   0.434  -3.103  -3.103
  406   2HG   GLU  56          1HG       GLU  56  -0.634  -3.933  -3.933
  407    H    SER  57           H        SER  57   3.245  -1.644  -1.644
  408    HA   SER  57           HA       SER  57   5.498  -1.637  -1.637
  409   1HB   SER  57          2HB       SER  57   5.400  -3.376  -3.376
  410   2HB   SER  57          1HB       SER  57   6.374  -2.064  -2.064
  411    HG   SER  57           HG       SER  57   7.986  -2.799  -2.799
  412    H    GLY  58           H        GLY  58   6.956   0.083   0.083
  413   1HA   GLY  58          1HA       GLY  58   7.153   1.997   1.997
  414   2HA   GLY  58          2HA       GLY  58   6.190   2.609   2.609
  415    H    ALA  59           H        ALA  59   8.087   4.209   4.209
  416    HA   ALA  59           HA       ALA  59  10.006   4.991   4.991
  417   1HB   ALA  59          3HB       ALA  59   8.915   3.946   3.946
  418   2HB   ALA  59          2HB       ALA  59   9.699   2.404   2.404
  419   3HB   ALA  59          1HB       ALA  59  10.693   3.803   3.803
  420    H    LYS  60           H        LYS  60  11.615   4.884   4.884
  421    HA   LYS  60           HA       LYS  60  13.748   4.141   4.141
  422   1HB   LYS  60          2HB       LYS  60  13.455   2.490   2.490
  423   2HB   LYS  60          1HB       LYS  60  13.120   1.296   1.296
  424   1HG   LYS  60          2HG       LYS  60  15.412   1.062   1.062
  425   2HG   LYS  60          1HG       LYS  60  15.340   2.399   2.399
  426   1HD   LYS  60          2HD       LYS  60  16.133   3.932   3.932
  427   2HD   LYS  60          1HD       LYS  60  15.320   3.147   3.147
  428   1HE   LYS  60          2HE       LYS  60  17.646   2.785   2.785
  429   2HE   LYS  60          1HE       LYS  60  17.059   1.251   1.251
  430   1HZ   LYS  60          1HZ       LYS  60  18.388   3.409   3.409
  431   2HZ   LYS  60          3HZ       LYS  60  19.085   1.971   1.971
  432   3HZ   LYS  60          2HZ       LYS  60  17.856   1.967   1.967
  433    H    GLY  61           H        GLY  61  10.898   2.040   2.040
  434   1HA   GLY  61          1HA       GLY  61  10.880   2.541   2.541
  435   2HA   GLY  61          2HA       GLY  61  11.755   1.021   1.021
  436    HA   PRO  62           HA       PRO  62   7.138   0.617   0.617
  437   1HB   PRO  62          2HB       PRO  62   5.453   2.154   2.154
  438   2HB   PRO  62          1HB       PRO  62   5.971   2.649   2.649
  439   1HG   PRO  62          2HG       PRO  62   6.830   3.632   3.632
  440   2HG   PRO  62          1HG       PRO  62   7.004   4.373   4.373
  441   1HD   PRO  62          2HD       PRO  62   9.031   3.061   3.061
  442   2HD   PRO  62          1HD       PRO  62   9.161   3.712   3.712
  443    H    ALA  63           H        ALA  63   5.288  -0.567  -0.567
  444    HA   ALA  63           HA       ALA  63   5.821  -1.413  -1.413
  445   1HB   ALA  63          3HB       ALA  63   7.179  -2.952  -2.952
  446   2HB   ALA  63          2HB       ALA  63   5.715  -3.327  -3.327
  447   3HB   ALA  63          1HB       ALA  63   5.818  -3.807  -3.807
  448    H    ALA  64           H        ALA  64   4.118  -3.459  -3.459
  449    HA   ALA  64           HA       ALA  64   1.570  -2.934  -2.934
  450   1HB   ALA  64          3HB       ALA  64   1.611  -1.260  -1.260
  451   2HB   ALA  64          2HB       ALA  64   1.908  -2.584  -2.584
  452   3HB   ALA  64          1HB       ALA  64   0.373  -2.520  -2.520
  453    H    GLY  65           H        GLY  65  -0.051  -4.205  -4.205
  454   1HA   GLY  65          1HA       GLY  65   0.956  -6.595  -6.595
  455   2HA   GLY  65          2HA       GLY  65   0.494  -6.965  -6.965
  456    H    ASN  66           H        ASN  66  -0.919  -8.295  -8.295
  457    HA   ASN  66           HA       ASN  66  -2.970  -8.549  -8.549
  458   1HB   ASN  66          2HB       ASN  66  -3.593  -7.251  -7.251
  459   2HB   ASN  66          1HB       ASN  66  -4.896  -7.690  -7.690
  460   1HD2  ASN  66          1HD2      ASN  66  -4.004  -8.659  -8.659
  461   2HD2  ASN  66          2HD2      ASN  66  -3.852 -10.412 -10.412
  462    H    VAL  67           H        VAL  67  -2.351  -7.003  -7.003
  463    HA   VAL  67           HA       VAL  67  -3.568  -4.333  -4.333
  464    HB   VAL  67           HB       VAL  67  -1.493  -5.593  -5.593
  465   1HG1  VAL  67          1HG1      VAL  67  -3.305  -3.489  -3.489
  466   2HG1  VAL  67          3HG1      VAL  67  -1.726  -4.011  -4.011
  467   3HG1  VAL  67          2HG1      VAL  67  -3.077  -5.158  -5.158
  468   1HG2  VAL  67          1HG2      VAL  67  -0.993  -3.909  -3.909
  469   2HG2  VAL  67          3HG2      VAL  67  -0.525  -3.300  -3.300
  470   3HG2  VAL  67          2HG2      VAL  67  -2.011  -2.718  -2.718
  471    H    THR  68           H        THR  68  -4.948  -3.504  -3.504
  472    HA   THR  68           HA       THR  68  -6.400  -5.625  -5.625
  473    HB   THR  68           HB       THR  68  -8.034  -5.663  -5.663
  474    HG1  THR  68           HG1      THR  68  -9.274  -4.611  -4.611
  475   1HG2  THR  68          2HG2      THR  68  -6.684  -3.068  -3.068
  476   2HG2  THR  68          1HG2      THR  68  -8.386  -3.285  -3.285
  477   3HG2  THR  68          3HG2      THR  68  -7.168  -4.434  -4.434
  478    H    SER  69           H        SER  69  -6.469  -4.974  -4.974
  479    HA   SER  69           HA       SER  69  -5.961  -2.185  -2.185
  480   1HB   SER  69          2HB       SER  69  -6.574  -3.225  -3.225
  481   2HB   SER  69          1HB       SER  69  -4.988  -3.453  -3.453
  482    HG   SER  69           HG       SER  69  -6.068  -5.413  -5.413
  483    H    LEU  70           H        LEU  70  -7.442  -0.610  -0.610
  484    HA   LEU  70           HA       LEU  70 -10.264  -1.449  -1.449
  485   1HB   LEU  70          2HB       LEU  70  -8.752   0.842   0.842
  486   2HB   LEU  70          1HB       LEU  70 -10.213   1.301   1.301
  487    HG   LEU  70           HG       LEU  70 -10.272  -0.726  -0.726
  488   1HD1  LEU  70          1HD1      LEU  70 -10.474   2.290   2.290
  489   2HD1  LEU  70          3HD1      LEU  70 -10.874   1.069   1.069
  490   3HD1  LEU  70          2HD1      LEU  70  -9.212   1.217   1.217
  491   1HD2  LEU  70          1HD2      LEU  70 -12.277  -0.568  -0.568
  492   2HD2  LEU  70          3HD2      LEU  70 -12.639   0.034   0.034
  493   3HD2  LEU  70          2HD2      LEU  70 -12.388   1.176   1.176

  Start of MODEL   11
    1    H    SER   2           H        SER   2 -10.132   3.605   3.605
    2    HA   SER   2           HA       SER   2 -10.019   1.332   1.332
    3   1HB   SER   2          2HB       SER   2 -11.600   0.979   0.979
    4   2HB   SER   2          1HB       SER   2 -12.923   1.673   1.673
    5    HG   SER   2           HG       SER   2 -13.342  -0.287  -0.287
    6    H    GLY   3           H        GLY   3 -10.001  -0.302  -0.302
    7   1HA   GLY   3          1HA       GLY   3 -11.101  -1.343  -1.343
    8   2HA   GLY   3          2HA       GLY   3 -11.660   0.267   0.267
    9    H    LYS   4           H        LYS   4 -10.121  -1.527  -1.527
   10    HA   LYS   4           HA       LYS   4  -7.367  -1.056  -1.056
   11   1HB   LYS   4          2HB       LYS   4  -9.335  -1.916  -1.916
   12   2HB   LYS   4          1HB       LYS   4  -7.734  -1.398  -1.398
   13   1HG   LYS   4          2HG       LYS   4  -6.785  -3.312  -3.312
   14   2HG   LYS   4          1HG       LYS   4  -7.516  -3.119  -3.119
   15   1HD   LYS   4          2HD       LYS   4  -9.130  -4.095  -4.095
   16   2HD   LYS   4          1HD       LYS   4  -8.148  -5.217  -5.217
   17   1HE   LYS   4          2HE       LYS   4  -9.679  -5.228  -5.228
   18   2HE   LYS   4          1HE       LYS   4  -9.778  -3.456  -3.456
   19   1HZ   LYS   4          1HZ       LYS   4 -11.167  -5.257  -5.257
   20   2HZ   LYS   4          3HZ       LYS   4 -11.859  -4.471  -4.471
   21   3HZ   LYS   4          2HZ       LYS   4 -11.278  -3.600  -3.600
   22    H    MET   5           H        MET   5  -6.060   0.304   0.304
   23    HA   MET   5           HA       MET   5  -7.377   2.971   2.971
   24   1HB   MET   5          2HB       MET   5  -4.666   3.461   3.461
   25   2HB   MET   5          1HB       MET   5  -5.718   3.635   3.635
   26   1HG   MET   5          2HG       MET   5  -4.496   0.944   0.944
   27   2HG   MET   5          1HG       MET   5  -3.516   2.177   2.177
   28   1HE   MET   5          1HE       MET   5  -3.874  -0.529  -0.529
   29   2HE   MET   5          3HE       MET   5  -5.378  -0.798  -0.798
   30   3HE   MET   5          2HE       MET   5  -5.390  -0.887  -0.887
   31    H    THR   6           H        THR   6  -6.648   4.255   4.255
   32    HA   THR   6           HA       THR   6  -6.338   2.582   2.582
   33    HB   THR   6           HB       THR   6  -6.680   4.727   4.727
   34    HG1  THR   6           HG1      THR   6  -5.831   6.401   6.401
   35   1HG2  THR   6          2HG2      THR   6  -8.260   4.230   4.230
   36   2HG2  THR   6          1HG2      THR   6  -8.460   5.803   5.803
   37   3HG2  THR   6          3HG2      THR   6  -8.861   4.317   4.317
   38    H    GLY   7           H        GLY   7  -4.567   2.554   2.554
   39   1HA   GLY   7          1HA       GLY   7  -2.126   4.036   4.036
   40   2HA   GLY   7          2HA       GLY   7  -2.013   2.315   2.315
   41    H    ILE   8           H        ILE   8  -1.831   4.667   4.667
   42    HA   ILE   8           HA       ILE   8  -2.383   2.764   2.764
   43    HB   ILE   8           HB       ILE   8  -2.481   4.475   4.475
   44   1HG1  ILE   8          2HG1      ILE   8  -0.352   5.974   5.974
   45   2HG1  ILE   8          1HG1      ILE   8  -0.074   5.008   5.008
   46   1HG2  ILE   8          1HG2      ILE   8  -2.730   5.918   5.918
   47   2HG2  ILE   8          3HG2      ILE   8  -3.326   6.540   6.540
   48   3HG2  ILE   8          2HG2      ILE   8  -4.016   5.060   5.060
   49   1HD1  ILE   8          1HD1      ILE   8  -1.844   7.497   7.497
   50   2HD1  ILE   8          3HD1      ILE   8  -0.212   7.421   7.421
   51   3HD1  ILE   8          2HD1      ILE   8  -1.558   6.546   6.546
   52    H    VAL   9           H        VAL   9  -0.909   1.440   1.440
   53    HA   VAL   9           HA       VAL   9   1.738   1.292   1.292
   54    HB   VAL   9           HB       VAL   9   0.251  -0.483  -0.483
   55   1HG1  VAL   9          1HG1      VAL   9   1.544   0.593   0.593
   56   2HG1  VAL   9          3HG1      VAL   9   0.668  -0.957  -0.957
   57   3HG1  VAL   9          2HG1      VAL   9  -0.189   0.579   0.579
   58   1HG2  VAL   9          1HG2      VAL   9   2.534  -0.933  -0.933
   59   2HG2  VAL   9          3HG2      VAL   9   2.218  -1.830  -1.830
   60   3HG2  VAL   9          2HG2      VAL   9   3.207  -0.357  -0.357
   61    H    LYS  10           H        LYS  10   3.754   1.895   1.895
   62    HA   LYS  10           HA       LYS  10   3.567   3.688   3.688
   63   1HB   LYS  10          2HB       LYS  10   4.966   4.194   4.194
   64   2HB   LYS  10          1HB       LYS  10   5.404   5.058   5.058
   65   1HG   LYS  10          2HG       LYS  10   2.585   4.925   4.925
   66   2HG   LYS  10          1HG       LYS  10   3.718   6.256   6.256
   67   1HD   LYS  10          2HD       LYS  10   3.724   5.910   5.910
   68   2HD   LYS  10          1HD       LYS  10   2.023   5.727   5.727
   69   1HE   LYS  10          2HE       LYS  10   2.144   7.892   7.892
   70   2HE   LYS  10          1HE       LYS  10   3.849   8.057   8.057
   71   1HZ   LYS  10          1HZ       LYS  10   1.552   7.901   7.901
   72   2HZ   LYS  10          3HZ       LYS  10   2.395   9.284   9.284
   73   3HZ   LYS  10          2HZ       LYS  10   3.143   8.071   8.071
   74    H    TRP  11           H        TRP  11   6.093   2.212   2.212
   75    HA   TRP  11           HA       TRP  11   7.277   1.041   1.041
   76   1HB   TRP  11          2HB       TRP  11   9.312   1.525   1.525
   77   2HB   TRP  11          1HB       TRP  11   9.156   2.137   2.137
   78    HD1  TRP  11           HD1      TRP  11   9.311   3.464   3.464
   79    HE1  TRP  11           HE1      TRP  11   8.615   5.783   5.783
   80    HE3  TRP  11           HE3      TRP  11   7.153   3.815   3.815
   81    HZ2  TRP  11           HZ2      TRP  11   7.189   7.758   7.758
   82    HZ3  TRP  11           HZ3      TRP  11   6.151   6.012   6.012
   83    HH2  TRP  11           HH2      TRP  11   6.153   7.904   7.904
   84    H    PHE  12           H        PHE  12   5.813  -0.772  -0.772
   85    HA   PHE  12           HA       PHE  12   6.930  -2.274  -2.274
   86   1HB   PHE  12          2HB       PHE  12   4.866  -3.177  -3.177
   87   2HB   PHE  12          1HB       PHE  12   4.401  -1.631  -1.631
   88    HD1  PHE  12           HD2      PHE  12   4.322  -1.613  -1.613
   89    HD2  PHE  12           HD1      PHE  12   3.805  -5.092  -5.092
   90    HE1  PHE  12           HE2      PHE  12   3.080  -2.756  -2.756
   91    HE2  PHE  12           HE1      PHE  12   2.566  -6.226  -6.226
   92    HZ   PHE  12           HZ       PHE  12   2.199  -5.061  -5.061
   93    H    ASN  13           H        ASN  13   8.700  -2.252  -2.252
   94    HA   ASN  13           HA       ASN  13   8.509  -3.915  -3.915
   95   1HB   ASN  13          2HB       ASN  13  10.619  -2.876  -2.876
   96   2HB   ASN  13          1HB       ASN  13  10.822  -4.616  -4.616
   97   1HD2  ASN  13          1HD2      ASN  13  12.683  -3.082  -3.082
   98   2HD2  ASN  13          2HD2      ASN  13  12.733  -3.559  -3.559
   99    H    ALA  14           H        ALA  14   7.076  -5.644  -5.644
  100    HA   ALA  14           HA       ALA  14   7.069  -7.599  -7.599
  101   1HB   ALA  14          3HB       ALA  14   5.097  -7.118  -7.118
  102   2HB   ALA  14          2HB       ALA  14   6.018  -7.746  -7.746
  103   3HB   ALA  14          1HB       ALA  14   5.570  -8.838  -8.838
  104    H    ASP  15           H        ASP  15   9.656  -7.623  -7.623
  105    HA   ASP  15           HA       ASP  15  10.178 -10.221 -10.221
  106   1HB   ASP  15          2HB       ASP  15  10.365  -8.437  -8.437
  107   2HB   ASP  15          1HB       ASP  15  11.774  -7.839  -7.839
  108    H    LYS  16           H        LYS  16  12.190  -7.281  -7.281
  109    HA   LYS  16           HA       LYS  16  13.313  -8.750  -8.750
  110   1HB   LYS  16          2HB       LYS  16  15.576  -7.786  -7.786
  111   2HB   LYS  16          1HB       LYS  16  14.948  -9.127  -9.127
  112   1HG   LYS  16          2HG       LYS  16  14.388  -7.690  -7.690
  113   2HG   LYS  16          1HG       LYS  16  14.436  -6.242  -6.242
  114   1HD   LYS  16          2HD       LYS  16  16.958  -7.847  -7.847
  115   2HD   LYS  16          1HD       LYS  16  16.437  -6.909  -6.909
  116   1HE   LYS  16          2HE       LYS  16  16.646  -4.855  -4.855
  117   2HE   LYS  16          1HE       LYS  16  16.526  -5.624  -5.624
  118   1HZ   LYS  16          1HZ       LYS  16  18.792  -5.882  -5.882
  119   2HZ   LYS  16          3HZ       LYS  16  18.758  -4.937  -4.937
  120   3HZ   LYS  16          2HZ       LYS  16  18.695  -6.592  -6.592
  121    H    GLY  17           H        GLY  17  12.754  -5.638  -5.638
  122   1HA   GLY  17          1HA       GLY  17  13.650  -3.833  -3.833
  123   2HA   GLY  17          2HA       GLY  17  12.293  -3.543  -3.543
  124    H    PHE  18           H        PHE  18  11.120  -6.199  -6.199
  125    HA   PHE  18           HA       PHE  18   9.816  -6.764  -6.764
  126   1HB   PHE  18          2HB       PHE  18  10.544  -4.170  -4.170
  127   2HB   PHE  18          1HB       PHE  18  10.116  -5.713  -5.713
  128    HD1  PHE  18           HD2      PHE  18  11.807  -7.749  -7.749
  129    HD2  PHE  18           HD1      PHE  18  12.820  -3.546  -3.546
  130    HE1  PHE  18           HE2      PHE  18  14.208  -8.331  -8.331
  131    HE2  PHE  18           HE1      PHE  18  15.216  -4.138  -4.138
  132    HZ   PHE  18           HZ       PHE  18  15.914  -6.527  -6.527
  133    H    GLY  19           H        GLY  19   8.220  -5.011  -5.011
  134   1HA   GLY  19          1HA       GLY  19   6.469  -3.848  -3.848
  135   2HA   GLY  19          2HA       GLY  19   5.901  -4.518  -4.518
  136    H    PHE  20           H        PHE  20   5.719  -1.736  -1.736
  137    HA   PHE  20           HA       PHE  20   6.390  -0.171  -0.171
  138   1HB   PHE  20          2HB       PHE  20   8.275  -0.253  -0.253
  139   2HB   PHE  20          1HB       PHE  20   7.258   1.032   1.032
  140    HD1  PHE  20           HD2      PHE  20   6.318   2.158   2.158
  141    HD2  PHE  20           HD1      PHE  20  10.216   1.093   1.093
  142    HE1  PHE  20           HE2      PHE  20   7.380   3.798   3.798
  143    HE2  PHE  20           HE1      PHE  20  11.268   2.735   2.735
  144    HZ   PHE  20           HZ       PHE  20   9.854   4.089   4.089
  145    H    ILE  21           H        ILE  21   4.433   0.694   0.694
  146    HA   ILE  21           HA       ILE  21   2.850   1.693   1.693
  147    HB   ILE  21           HB       ILE  21   2.026   0.535   0.535
  148   1HG1  ILE  21          2HG1      ILE  21   1.049  -0.198  -0.198
  149   2HG1  ILE  21          1HG1      ILE  21   2.527  -0.888  -0.888
  150   1HG2  ILE  21          1HG2      ILE  21   0.260   2.049   2.049
  151   2HG2  ILE  21          3HG2      ILE  21  -0.332   1.068   1.068
  152   3HG2  ILE  21          2HG2      ILE  21   0.647   2.518   2.518
  153   1HD1  ILE  21          1HD1      ILE  21  -0.271  -1.047  -1.047
  154   2HD1  ILE  21          3HD1      ILE  21   0.577  -2.366  -2.366
  155   3HD1  ILE  21          2HD1      ILE  21   1.199  -1.756  -1.756
  156    H    THR  22           H        THR  22   1.407   3.634   3.634
  157    HA   THR  22           HA       THR  22   3.011   5.469   5.469
  158    HB   THR  22           HB       THR  22   1.725   5.777   5.777
  159    HG1  THR  22           HG1      THR  22   3.776   7.064   7.064
  160   1HG2  THR  22          2HG2      THR  22   1.436   7.733   7.733
  161   2HG2  THR  22          1HG2      THR  22   1.973   8.378   8.378
  162   3HG2  THR  22          3HG2      THR  22   0.402   7.562   7.562
  163    HA   PRO  23           HA       PRO  23  -0.648   5.240   5.240
  164   1HB   PRO  23          2HB       PRO  23   0.524   6.649   6.649
  165   2HB   PRO  23          1HB       PRO  23   0.673   4.898   4.898
  166   1HG   PRO  23          2HG       PRO  23   2.653   7.034   7.034
  167   2HG   PRO  23          1HG       PRO  23   2.886   5.283   5.283
  168   1HD   PRO  23          2HD       PRO  23   3.002   6.826   6.826
  169   2HD   PRO  23          1HD       PRO  23   3.128   5.064   5.064
  170    H    ASP  24           H        ASP  24  -1.218   7.346   7.346
  171    HA   ASP  24           HA       ASP  24  -1.388   9.781   9.781
  172   1HB   ASP  24          2HB       ASP  24  -3.797   9.968   9.968
  173   2HB   ASP  24          1HB       ASP  24  -3.400   8.530   8.530
  174    H    ASP  25           H        ASP  25  -1.076   8.093   8.093
  175    HA   ASP  25           HA       ASP  25  -1.329  10.670  10.670
  176   1HB   ASP  25          2HB       ASP  25  -2.028   7.881   7.881
  177   2HB   ASP  25          1HB       ASP  25  -2.043   9.359   9.359
  178    H    GLY  26           H        GLY  26  -0.306   7.278   7.278
  179   1HA   GLY  26          1HA       GLY  26   1.960   8.095   8.095
  180   2HA   GLY  26          2HA       GLY  26   1.670   6.473   6.473
  181    H    SER  27           H        SER  27   3.002   9.737   9.737
  182    HA   SER  27           HA       SER  27   4.561  10.458  10.458
  183   1HB   SER  27          2HB       SER  27   6.479   9.157   9.157
  184   2HB   SER  27          1HB       SER  27   5.809   8.526   8.526
  185    HG   SER  27           HG       SER  27   6.487   7.016   7.016
  186    H    LYS  28           H        LYS  28   5.759   8.795   8.795
  187    HA   LYS  28           HA       LYS  28   3.359   8.351   8.351
  188   1HB   LYS  28          2HB       LYS  28   4.483  10.745  10.745
  189   2HB   LYS  28          1HB       LYS  28   5.592   9.881   9.881
  190   1HG   LYS  28          2HG       LYS  28   3.489   8.987   8.987
  191   2HG   LYS  28          1HG       LYS  28   2.573  10.176  10.176
  192   1HD   LYS  28          2HD       LYS  28   3.044  11.211  11.211
  193   2HD   LYS  28          1HD       LYS  28   4.154  11.951  11.951
  194   1HE   LYS  28          2HE       LYS  28   5.860  11.354  11.354
  195   2HE   LYS  28          1HE       LYS  28   5.495   9.657   9.657
  196   1HZ   LYS  28          1HZ       LYS  28   4.279  11.258  11.258
  197   2HZ   LYS  28          3HZ       LYS  28   5.464  10.095  10.095
  198   3HZ   LYS  28          2HZ       LYS  28   3.942   9.666   9.666
  199    H    ASP  29           H        ASP  29   4.741   6.309   6.309
  200    HA   ASP  29           HA       ASP  29   5.787   4.913   4.913
  201   1HB   ASP  29          2HB       ASP  29   7.862   4.277   4.277
  202   2HB   ASP  29          1HB       ASP  29   7.913   5.649   5.649
  203    H    VAL  30           H        VAL  30   5.754   2.651   2.651
  204    HA   VAL  30           HA       VAL  30   5.449   1.524   1.524
  205    HB   VAL  30           HB       VAL  30   3.306   2.109   2.109
  206   1HG1  VAL  30          1HG1      VAL  30   3.027   1.899   1.899
  207   2HG1  VAL  30          3HG1      VAL  30   1.726   2.382   2.382
  208   3HG1  VAL  30          2HG1      VAL  30   3.175   3.393   3.393
  209   1HG2  VAL  30          1HG2      VAL  30   3.330  -0.348  -0.348
  210   2HG2  VAL  30          3HG2      VAL  30   1.807   0.247   0.247
  211   3HG2  VAL  30          2HG2      VAL  30   3.095  -0.386  -0.386
  212    H    PHE  31           H        PHE  31   6.807  -0.167  -0.167
  213    HA   PHE  31           HA       PHE  31   7.273  -1.431  -1.431
  214   1HB   PHE  31          2HB       PHE  31   8.867  -2.630  -2.630
  215   2HB   PHE  31          1HB       PHE  31   8.747  -1.231  -1.231
  216    HD1  PHE  31           HD2      PHE  31   7.156  -4.645  -4.645
  217    HD2  PHE  31           HD1      PHE  31   8.595  -1.564  -1.564
  218    HE1  PHE  31           HE2      PHE  31   6.681  -6.109  -6.109
  219    HE2  PHE  31           HE1      PHE  31   8.117  -3.035  -3.035
  220    HZ   PHE  31           HZ       PHE  31   7.159  -5.307  -5.307
  221    H    VAL  32           H        VAL  32   6.500  -3.364  -3.364
  222    HA   VAL  32           HA       VAL  32   4.598  -4.909  -4.909
  223    HB   VAL  32           HB       VAL  32   2.951  -3.703  -3.703
  224   1HG1  VAL  32          1HG1      VAL  32   4.614  -3.168  -3.168
  225   2HG1  VAL  32          3HG1      VAL  32   2.984  -2.510  -2.510
  226   3HG1  VAL  32          2HG1      VAL  32   4.348  -2.050  -2.050
  227   1HG2  VAL  32          1HG2      VAL  32   2.601  -5.964  -5.964
  228   2HG2  VAL  32          3HG2      VAL  32   1.973  -4.743  -4.743
  229   3HG2  VAL  32          2HG2      VAL  32   3.522  -5.552  -5.552
  230    H    HIS  33           H        HIS  33   3.878  -6.942  -6.942
  231    HA   HIS  33           HA       HIS  33   6.049  -7.725  -7.725
  232   1HB   HIS  33          2HB       HIS  33   5.548  -8.805  -8.805
  233   2HB   HIS  33          1HB       HIS  33   5.580 -10.048 -10.048
  234    HD1  HIS  33           HD1      HIS  33   7.948  -9.804  -9.804
  235    HD2  HIS  33           HD2      HIS  33   8.132  -8.180  -8.180
  236    HE1  HIS  33           HE1      HIS  33  10.249  -9.530  -9.530
  237    H    PHE  34           H        PHE  34   5.420  -9.172  -9.172
  238    HA   PHE  34           HA       PHE  34   2.700  -9.123  -9.123
  239   1HB   PHE  34          2HB       PHE  34   3.389 -10.684 -10.684
  240   2HB   PHE  34          1HB       PHE  34   4.678  -9.515  -9.515
  241    HD1  PHE  34           HD2      PHE  34   6.644 -10.177 -10.177
  242    HD2  PHE  34           HD1      PHE  34   3.909 -13.017 -13.017
  243    HE1  PHE  34           HE2      PHE  34   8.288 -12.004 -12.004
  244    HE2  PHE  34           HE1      PHE  34   5.558 -14.835 -14.835
  245    HZ   PHE  34           HZ       PHE  34   7.749 -14.333 -14.333
  246    H    SER  35           H        SER  35   1.819 -11.586 -11.586
  247    HA   SER  35           HA       SER  35   0.762 -13.429 -13.429
  248   1HB   SER  35          2HB       SER  35   2.661 -13.336 -13.336
  249   2HB   SER  35          1HB       SER  35   1.681 -14.720 -14.720
  250    HG   SER  35           HG       SER  35   3.332 -13.673 -13.673
  251    H    ALA  36           H        ALA  36   0.587 -10.438 -10.438
  252    HA   ALA  36           HA       ALA  36  -1.412 -11.169 -11.169
  253   1HB   ALA  36          3HB       ALA  36   0.579  -9.839  -9.839
  254   2HB   ALA  36          2HB       ALA  36   0.217  -8.599  -8.599
  255   3HB   ALA  36          1HB       ALA  36  -0.934  -8.896  -8.896
  256    H    ILE  37           H        ILE  37  -0.741  -9.673  -9.673
  257    HA   ILE  37           HA       ILE  37  -2.953  -7.849  -7.849
  258    HB   ILE  37           HB       ILE  37  -1.271  -7.274  -7.274
  259   1HG1  ILE  37          2HG1      ILE  37  -2.751  -8.399  -8.399
  260   2HG1  ILE  37          1HG1      ILE  37  -3.799  -7.682  -7.682
  261   1HG2  ILE  37          1HG2      ILE  37  -1.306 -10.077 -10.077
  262   2HG2  ILE  37          3HG2      ILE  37  -0.284  -8.730  -8.730
  263   3HG2  ILE  37          2HG2      ILE  37  -0.065  -9.386  -9.386
  264   1HD1  ILE  37          1HD1      ILE  37  -1.415  -6.307  -6.307
  265   2HD1  ILE  37          3HD1      ILE  37  -3.140  -6.009  -6.009
  266   3HD1  ILE  37          2HD1      ILE  37  -2.470  -5.574  -5.574
  267    H    GLN  38           H        GLN  38  -4.271  -9.787  -9.787
  268    HA   GLN  38           HA       GLN  38  -5.747 -11.530 -11.530
  269   1HB   GLN  38          2HB       GLN  38  -6.780  -9.638  -9.638
  270   2HB   GLN  38          1HB       GLN  38  -7.726 -10.873 -10.873
  271   1HG   GLN  38          2HG       GLN  38  -6.392  -8.414  -8.414
  272   2HG   GLN  38          1HG       GLN  38  -8.135  -8.673  -8.673
  273   1HE2  GLN  38          1HE2      GLN  38  -5.568  -8.803  -8.803
  274   2HE2  GLN  38          2HE2      GLN  38  -6.208  -9.892  -9.892
  275    H    ASN  39           H        ASN  39  -3.364 -12.142 -12.142
  276    HA   ASN  39           HA       ASN  39  -2.519 -13.346 -13.346
  277   1HB   ASN  39          2HB       ASN  39  -3.774 -15.416 -15.416
  278   2HB   ASN  39          1HB       ASN  39  -3.781 -15.090 -15.090
  279   1HD2  ASN  39          1HD2      ASN  39  -5.586 -15.272 -15.272
  280   2HD2  ASN  39          2HD2      ASN  39  -7.210 -15.112 -15.112
  281    H    ASP  40           H        ASP  40  -3.883 -14.744 -14.744
  282    HA   ASP  40           HA       ASP  40  -5.743 -13.745 -13.745
  283   1HB   ASP  40          2HB       ASP  40  -5.329 -11.457 -11.457
  284   2HB   ASP  40          1HB       ASP  40  -3.568 -11.680 -11.680
  285    H    GLY  41           H        GLY  41  -2.120 -13.625 -13.625
  286   1HA   GLY  41          1HA       GLY  41  -1.052 -15.600 -15.600
  287   2HA   GLY  41          2HA       GLY  41  -2.311 -15.500 -15.500
  288    H    TYR  42           H        TYR  42  -2.418 -13.392 -13.392
  289    HA   TYR  42           HA       TYR  42   0.247 -12.760 -12.760
  290   1HB   TYR  42          1HB       TYR  42  -1.651 -12.703 -12.703
  291   2HB   TYR  42          2HB       TYR  42  -2.455 -11.475 -11.475
  292    HD1  TYR  42           HD2      TYR  42   0.969 -11.876 -11.876
  293    HD2  TYR  42           HD1      TYR  42  -2.459  -9.327  -9.327
  294    HE1  TYR  42           HE2      TYR  42   2.044 -10.079 -10.079
  295    HE2  TYR  42           HE1      TYR  42  -1.382  -7.533  -7.533
  296    HH   TYR  42           HH       TYR  42   0.869  -6.815  -6.815
  297    H    LYS  43           H        LYS  43   1.698 -11.427 -11.427
  298    HA   LYS  43           HA       LYS  43   1.365 -10.078 -10.078
  299   1HB   LYS  43          2HB       LYS  43   3.118  -9.310  -9.310
  300   2HB   LYS  43          1HB       LYS  43   3.265  -8.606  -8.606
  301   1HG   LYS  43          2HG       LYS  43   3.971 -11.336 -11.336
  302   2HG   LYS  43          1HG       LYS  43   4.769 -10.335 -10.335
  303   1HD   LYS  43          2HD       LYS  43   2.875 -10.838 -10.838
  304   2HD   LYS  43          1HD       LYS  43   2.163 -11.890 -11.890
  305   1HE   LYS  43          2HE       LYS  43   4.455 -12.362 -12.362
  306   2HE   LYS  43          1HE       LYS  43   3.357 -13.528 -13.528
  307   1HZ   LYS  43          1HZ       LYS  43   5.603 -12.136 -12.136
  308   2HZ   LYS  43          3HZ       LYS  43   5.593 -13.727 -13.727
  309   3HZ   LYS  43          2HZ       LYS  43   4.591 -13.239 -13.239
  310    H    SER  44           H        SER  44  -0.423  -8.873  -8.873
  311    HA   SER  44           HA       SER  44  -1.672  -7.142  -7.142
  312   1HB   SER  44          2HB       SER  44  -1.907  -7.354  -7.354
  313   2HB   SER  44          1HB       SER  44  -2.900  -6.263  -6.263
  314    HG   SER  44           HG       SER  44  -3.956  -8.273  -8.273
  315    H    LEU  45           H        LEU  45  -2.117  -4.845  -4.845
  316    HA   LEU  45           HA       LEU  45  -1.244  -2.720  -2.720
  317   1HB   LEU  45          2HB       LEU  45   0.392  -4.311  -4.311
  318   2HB   LEU  45          1HB       LEU  45   0.783  -2.603  -2.603
  319    HG   LEU  45           HG       LEU  45  -1.086  -1.852  -1.852
  320   1HD1  LEU  45          1HD1      LEU  45  -2.484  -4.495  -4.495
  321   2HD1  LEU  45          3HD1      LEU  45  -3.218  -3.110  -3.110
  322   3HD1  LEU  45          2HD1      LEU  45  -2.728  -2.953  -2.953
  323   1HD2  LEU  45          1HD2      LEU  45   0.208  -3.042  -3.042
  324   2HD2  LEU  45          3HD2      LEU  45  -1.534  -3.150  -3.150
  325   3HD2  LEU  45          2HD2      LEU  45  -0.682  -4.541  -4.541
  326    H    ASP  46           H        ASP  46  -0.296  -1.655  -1.655
  327    HA   ASP  46           HA       ASP  46   2.289  -2.755  -2.755
  328   1HB   ASP  46          2HB       ASP  46   0.501  -0.925  -0.925
  329   2HB   ASP  46          1HB       ASP  46   1.685  -2.112  -2.112
  330    H    GLU  47           H        GLU  47   2.414  -1.107  -1.107
  331    HA   GLU  47           HA       GLU  47   3.548   0.723   0.723
  332   1HB   GLU  47          2HB       GLU  47   5.014   0.379   0.379
  333   2HB   GLU  47          1HB       GLU  47   3.940   1.446   1.446
  334   1HG   GLU  47          2HG       GLU  47   4.885   3.301   3.301
  335   2HG   GLU  47          1HG       GLU  47   4.755   2.653   2.653
  336    H    GLY  48           H        GLY  48   1.659   1.569   1.569
  337   1HA   GLY  48          1HA       GLY  48   0.573   3.722   3.722
  338   2HA   GLY  48          2HA       GLY  48   0.465   3.862   3.862
  339    H    GLN  49           H        GLN  49  -1.015   2.660   2.660
  340    HA   GLN  49           HA       GLN  49  -3.511   2.256   2.256
  341   1HB   GLN  49          2HB       GLN  49  -2.865   0.185   0.185
  342   2HB   GLN  49          1HB       GLN  49  -1.846  -0.202  -0.202
  343   1HG   GLN  49          2HG       GLN  49  -3.590  -1.119  -1.119
  344   2HG   GLN  49          1HG       GLN  49  -4.690   0.196   0.196
  345   1HE2  GLN  49          1HE2      GLN  49  -6.098  -1.804  -1.804
  346   2HE2  GLN  49          2HE2      GLN  49  -6.262  -2.641  -2.641
  347    H    LYS  50           H        LYS  50  -5.049   2.656   2.656
  348    HA   LYS  50           HA       LYS  50  -4.178   2.966   2.966
  349   1HB   LYS  50          2HB       LYS  50  -5.826   4.432   4.432
  350   2HB   LYS  50          1HB       LYS  50  -7.026   3.162   3.162
  351   1HG   LYS  50          2HG       LYS  50  -7.272   3.813   3.813
  352   2HG   LYS  50          1HG       LYS  50  -5.517   3.876   3.876
  353   1HD   LYS  50          2HD       LYS  50  -5.564   6.101   6.101
  354   2HD   LYS  50          1HD       LYS  50  -7.332   6.029   6.029
  355   1HE   LYS  50          2HE       LYS  50  -6.193   7.396   7.396
  356   2HE   LYS  50          1HE       LYS  50  -7.223   6.087   6.087
  357   1HZ   LYS  50          1HZ       LYS  50  -4.288   5.970   5.970
  358   2HZ   LYS  50          3HZ       LYS  50  -5.109   6.162   6.162
  359   3HZ   LYS  50          2HZ       LYS  50  -5.243   4.744   4.744
  360    H    VAL  51           H        VAL  51  -4.199   1.464   1.464
  361    HA   VAL  51           HA       VAL  51  -6.211  -0.681  -0.681
  362    HB   VAL  51           HB       VAL  51  -4.807  -2.437  -2.437
  363   1HG1  VAL  51          1HG1      VAL  51  -3.361  -0.321  -0.321
  364   2HG1  VAL  51          3HG1      VAL  51  -3.171  -2.085  -2.085
  365   3HG1  VAL  51          2HG1      VAL  51  -4.735  -1.313  -1.313
  366   1HG2  VAL  51          1HG2      VAL  51  -3.313  -1.798  -1.798
  367   2HG2  VAL  51          3HG2      VAL  51  -2.358  -2.373  -2.373
  368   3HG2  VAL  51          2HG2      VAL  51  -2.475  -0.636  -0.636
  369    H    SER  52           H        SER  52  -6.726  -1.557  -1.557
  370    HA   SER  52           HA       SER  52  -5.847   0.164   0.164
  371   1HB   SER  52          2HB       SER  52  -7.710  -2.128  -2.128
  372   2HB   SER  52          1HB       SER  52  -7.752  -0.478  -0.478
  373    HG   SER  52           HG       SER  52  -8.177  -0.082  -0.082
  374    H    PHE  53           H        PHE  53  -4.611  -0.494  -0.494
  375    HA   PHE  53           HA       PHE  53  -3.636  -3.347  -3.347
  376   1HB   PHE  53          2HB       PHE  53  -1.440  -2.371  -2.371
  377   2HB   PHE  53          1HB       PHE  53  -1.860  -2.132  -2.132
  378    HD1  PHE  53           HD1      PHE  53  -3.417  -0.084  -0.084
  379    HD2  PHE  53           HD2      PHE  53  -0.368  -0.254  -0.254
  380    HE1  PHE  53           HE1      PHE  53  -3.067   2.367   2.367
  381    HE2  PHE  53           HE2      PHE  53  -0.025   2.198   2.198
  382    HZ   PHE  53           HZ       PHE  53  -1.371   3.511   3.511
  383    H    THR  54           H        THR  54  -2.041  -3.162  -3.162
  384    HA   THR  54           HA       THR  54  -3.956  -2.267  -2.267
  385    HB   THR  54           HB       THR  54  -4.235  -4.691  -4.691
  386    HG1  THR  54           HG1      THR  54  -2.542  -4.880  -4.880
  387   1HG2  THR  54          2HG2      THR  54  -1.217  -4.574  -4.574
  388   2HG2  THR  54          1HG2      THR  54  -1.899  -5.907  -5.907
  389   3HG2  THR  54          3HG2      THR  54  -2.358  -5.721  -5.721
  390    H    ILE  55           H        ILE  55  -2.330  -0.352  -0.352
  391    HA   ILE  55           HA       ILE  55   0.313  -0.339  -0.339
  392    HB   ILE  55           HB       ILE  55  -1.891   1.511   1.511
  393   1HG1  ILE  55          2HG1      ILE  55   0.734   1.952   1.952
  394   2HG1  ILE  55          1HG1      ILE  55  -0.717   1.264   1.264
  395   1HG2  ILE  55          1HG2      ILE  55   0.920   1.974   1.974
  396   2HG2  ILE  55          3HG2      ILE  55  -0.356   3.217   3.217
  397   3HG2  ILE  55          2HG2      ILE  55  -0.571   1.809   1.809
  398   1HD1  ILE  55          1HD1      ILE  55  -0.523   4.017   4.017
  399   2HD1  ILE  55          3HD1      ILE  55  -0.544   3.696   3.696
  400   3HD1  ILE  55          2HD1      ILE  55  -1.975   3.345   3.345
  401    H    GLU  56           H        GLU  56   1.538  -1.332  -1.332
  402    HA   GLU  56           HA       GLU  56   0.624  -1.167  -1.167
  403   1HB   GLU  56          2HB       GLU  56   0.730  -3.601  -3.601
  404   2HB   GLU  56          1HB       GLU  56   1.870  -3.692  -3.692
  405   1HG   GLU  56          2HG       GLU  56  -0.015  -2.958  -2.958
  406   2HG   GLU  56          1HG       GLU  56  -1.113  -3.076  -3.076
  407    H    SER  57           H        SER  57   2.462  -1.730  -1.730
  408    HA   SER  57           HA       SER  57   4.984  -0.712  -0.712
  409   1HB   SER  57          2HB       SER  57   3.988   0.645   0.645
  410   2HB   SER  57          1HB       SER  57   4.097  -0.760  -0.760
  411    HG   SER  57           HG       SER  57   6.219  -0.462  -0.462
  412    H    GLY  58           H        GLY  58   6.867  -1.904  -1.904
  413   1HA   GLY  58          1HA       GLY  58   7.037  -4.245  -4.245
  414   2HA   GLY  58          2HA       GLY  58   6.960  -4.615  -4.615
  415    H    ALA  59           H        ALA  59   9.233  -5.247  -5.247
  416    HA   ALA  59           HA       ALA  59  11.551  -5.023  -5.023
  417   1HB   ALA  59          3HB       ALA  59  11.195  -4.937  -4.937
  418   2HB   ALA  59          2HB       ALA  59  10.970  -3.180  -3.180
  419   3HB   ALA  59          1HB       ALA  59  12.545  -3.890  -3.890
  420    H    LYS  60           H        LYS  60  11.069  -1.831  -1.831
  421    HA   LYS  60           HA       LYS  60  11.367  -0.504  -0.504
  422   1HB   LYS  60          2HB       LYS  60  13.652  -1.114  -1.114
  423   2HB   LYS  60          1HB       LYS  60  13.325   0.572   0.572
  424   1HG   LYS  60          2HG       LYS  60  14.635   0.777   0.777
  425   2HG   LYS  60          1HG       LYS  60  12.980   0.938   0.938
  426   1HD   LYS  60          2HD       LYS  60  13.778  -1.863  -1.863
  427   2HD   LYS  60          1HD       LYS  60  14.966  -0.917  -0.917
  428   1HE   LYS  60          2HE       LYS  60  11.951  -1.015  -1.015
  429   2HE   LYS  60          1HE       LYS  60  13.197  -1.766  -1.766
  430   1HZ   LYS  60          1HZ       LYS  60  12.901   1.128   1.128
  431   2HZ   LYS  60          3HZ       LYS  60  12.460   0.329   0.329
  432   3HZ   LYS  60          2HZ       LYS  60  14.060   0.435   0.435
  433    H    GLY  61           H        GLY  61  11.109  -0.294  -0.294
  434   1HA   GLY  61          1HA       GLY  61   9.780   2.358   2.358
  435   2HA   GLY  61          2HA       GLY  61  10.359   1.599   1.599
  436    HA   PRO  62           HA       PRO  62   5.837   0.796   0.796
  437   1HB   PRO  62          2HB       PRO  62   5.281   1.740   1.740
  438   2HB   PRO  62          1HB       PRO  62   5.160   2.732   2.732
  439   1HG   PRO  62          2HG       PRO  62   7.186   2.760   2.760
  440   2HG   PRO  62          1HG       PRO  62   6.807   3.986   3.986
  441   1HD   PRO  62          2HD       PRO  62   9.028   2.180   2.180
  442   2HD   PRO  62          1HD       PRO  62   8.577   3.337   3.337
  443    H    ALA  63           H        ALA  63   4.392  -0.314  -0.314
  444    HA   ALA  63           HA       ALA  63   5.873  -2.132  -2.132
  445   1HB   ALA  63          3HB       ALA  63   6.266  -3.198  -3.198
  446   2HB   ALA  63          2HB       ALA  63   4.515  -3.226  -3.226
  447   3HB   ALA  63          1HB       ALA  63   5.213  -4.202  -4.202
  448    H    ALA  64           H        ALA  64   4.376  -3.625  -3.625
  449    HA   ALA  64           HA       ALA  64   1.564  -2.544  -2.544
  450   1HB   ALA  64          3HB       ALA  64   2.892  -2.263  -2.263
  451   2HB   ALA  64          2HB       ALA  64   3.170  -4.016  -4.016
  452   3HB   ALA  64          1HB       ALA  64   1.520  -3.386  -3.386
  453    H    GLY  65           H        GLY  65   0.870  -4.820  -4.820
  454   1HA   GLY  65          1HA       GLY  65   1.060  -7.342  -7.342
  455   2HA   GLY  65          2HA       GLY  65   0.576  -6.911  -6.911
  456    H    ASN  66           H        ASN  66  -1.032  -8.684  -8.684
  457    HA   ASN  66           HA       ASN  66  -3.051  -8.909  -8.909
  458   1HB   ASN  66          2HB       ASN  66  -3.528  -7.249  -7.249
  459   2HB   ASN  66          1HB       ASN  66  -4.882  -7.726  -7.726
  460   1HD2  ASN  66          1HD2      ASN  66  -4.153  -8.421  -8.421
  461   2HD2  ASN  66          2HD2      ASN  66  -4.077 -10.185 -10.185
  462    H    VAL  67           H        VAL  67  -2.453  -7.690  -7.690
  463    HA   VAL  67           HA       VAL  67  -3.589  -4.949  -4.949
  464    HB   VAL  67           HB       VAL  67  -1.364  -6.311  -6.311
  465   1HG1  VAL  67          1HG1      VAL  67  -3.086  -4.368  -4.368
  466   2HG1  VAL  67          3HG1      VAL  67  -1.448  -4.916  -4.916
  467   3HG1  VAL  67          2HG1      VAL  67  -2.788  -6.078  -6.078
  468   1HG2  VAL  67          1HG2      VAL  67  -1.037  -4.468  -4.468
  469   2HG2  VAL  67          3HG2      VAL  67  -0.436  -3.999  -3.999
  470   3HG2  VAL  67          2HG2      VAL  67  -1.991  -3.379  -3.379
  471    H    THR  68           H        THR  68  -4.998  -4.323  -4.323
  472    HA   THR  68           HA       THR  68  -6.102  -6.485  -6.485
  473    HB   THR  68           HB       THR  68  -7.685  -6.980  -6.980
  474    HG1  THR  68           HG1      THR  68  -9.235  -4.936  -4.936
  475   1HG2  THR  68          2HG2      THR  68  -6.977  -4.187  -4.187
  476   2HG2  THR  68          1HG2      THR  68  -8.603  -4.794  -4.794
  477   3HG2  THR  68          3HG2      THR  68  -7.182  -5.669  -5.669
  478    H    SER  69           H        SER  69  -6.326  -5.639  -5.639
  479    HA   SER  69           HA       SER  69  -5.878  -2.962  -2.962
  480   1HB   SER  69          2HB       SER  69  -7.416  -3.645  -3.645
  481   2HB   SER  69          1HB       SER  69  -5.744  -4.209  -4.209
  482    HG   SER  69           HG       SER  69  -6.674  -6.119  -6.119
  483    H    LEU  70           H        LEU  70  -7.017  -1.115  -1.115
  484    HA   LEU  70           HA       LEU  70  -8.789  -0.061  -0.061
  485   1HB   LEU  70          2HB       LEU  70  -8.930  -0.358  -0.358
  486   2HB   LEU  70          1HB       LEU  70 -10.533  -0.054  -0.054
  487    HG   LEU  70           HG       LEU  70  -8.182   1.627   1.627
  488   1HD1  LEU  70          1HD1      LEU  70  -9.830   2.028   2.028
  489   2HD1  LEU  70          3HD1      LEU  70  -8.693   3.221   3.221
  490   3HD1  LEU  70          2HD1      LEU  70  -8.098   1.657   1.657
  491   1HD2  LEU  70          1HD2      LEU  70 -10.262   1.934   1.934
  492   2HD2  LEU  70          3HD2      LEU  70  -9.928   3.390   3.390
  493   3HD2  LEU  70          2HD2      LEU  70 -11.165   2.228   2.228

  Start of MODEL   12
    1    H    SER   2           H        SER   2 -17.669  -1.711  -1.711
    2    HA   SER   2           HA       SER   2 -15.750  -0.670  -0.670
    3   1HB   SER   2          2HB       SER   2 -14.651  -3.480  -3.480
    4   2HB   SER   2          1HB       SER   2 -13.776  -2.156  -2.156
    5    HG   SER   2           HG       SER   2 -15.523  -3.829  -3.829
    6    H    GLY   3           H        GLY   3 -12.977  -1.290  -1.290
    7   1HA   GLY   3          1HA       GLY   3 -12.537  -1.440  -1.440
    8   2HA   GLY   3          2HA       GLY   3 -12.829   0.271   0.271
    9    H    LYS   4           H        LYS   4 -10.345  -1.549  -1.549
   10    HA   LYS   4           HA       LYS   4  -8.692  -1.096  -1.096
   11   1HB   LYS   4          2HB       LYS   4  -7.555  -2.066  -2.066
   12   2HB   LYS   4          1HB       LYS   4  -7.154  -2.526  -2.526
   13   1HG   LYS   4          2HG       LYS   4  -9.709  -3.242  -3.242
   14   2HG   LYS   4          1HG       LYS   4  -8.356  -4.341  -4.341
   15   1HD   LYS   4          2HD       LYS   4 -10.134  -2.981  -2.981
   16   2HD   LYS   4          1HD       LYS   4 -10.190  -4.694  -4.694
   17   1HE   LYS   4          2HE       LYS   4  -7.621  -4.630  -4.630
   18   2HE   LYS   4          1HE       LYS   4  -8.109  -3.194  -3.194
   19   1HZ   LYS   4          1HZ       LYS   4  -9.317  -5.882  -5.882
   20   2HZ   LYS   4          3HZ       LYS   4  -8.253  -5.191  -5.191
   21   3HZ   LYS   4          2HZ       LYS   4  -9.770  -4.547  -4.547
   22    H    MET   5           H        MET   5  -6.264  -0.270  -0.270
   23    HA   MET   5           HA       MET   5  -6.683   2.529   2.529
   24   1HB   MET   5          2HB       MET   5  -3.972   2.008   2.008
   25   2HB   MET   5          1HB       MET   5  -4.736   2.473   2.473
   26   1HG   MET   5          2HG       MET   5  -4.624  -0.427  -0.427
   27   2HG   MET   5          1HG       MET   5  -3.257   0.320   0.320
   28   1HE   MET   5          1HE       MET   5  -4.420   2.296   2.296
   29   2HE   MET   5          3HE       MET   5  -4.725   1.256   1.256
   30   3HE   MET   5          2HE       MET   5  -3.254   1.037   1.037
   31    H    THR   6           H        THR   6  -6.797   3.553   3.553
   32    HA   THR   6           HA       THR   6  -6.406   1.968   1.968
   33    HB   THR   6           HB       THR   6  -7.496   3.913   3.913
   34    HG1  THR   6           HG1      THR   6  -7.869   5.608   5.608
   35   1HG2  THR   6          2HG2      THR   6  -8.543   3.001   3.001
   36   2HG2  THR   6          1HG2      THR   6  -9.283   4.443   4.443
   37   3HG2  THR   6          3HG2      THR   6  -9.344   2.896   2.896
   38    H    GLY   7           H        GLY   7  -5.045   2.741   2.741
   39   1HA   GLY   7          1HA       GLY   7  -3.116   4.786   4.786
   40   2HA   GLY   7          2HA       GLY   7  -2.371   3.318   3.318
   41    H    ILE   8           H        ILE   8  -2.106   4.994   4.994
   42    HA   ILE   8           HA       ILE   8  -2.754   2.874   2.874
   43    HB   ILE   8           HB       ILE   8  -2.839   4.399   4.399
   44   1HG1  ILE   8          2HG1      ILE   8  -0.421   4.933   4.933
   45   2HG1  ILE   8          1HG1      ILE   8  -1.409   6.361   6.361
   46   1HG2  ILE   8          1HG2      ILE   8  -3.115   6.173   6.173
   47   2HG2  ILE   8          3HG2      ILE   8  -3.690   6.590   6.590
   48   3HG2  ILE   8          2HG2      ILE   8  -4.393   5.211   5.211
   49   1HD1  ILE   8          1HD1      ILE   8  -0.295   5.616   5.616
   50   2HD1  ILE   8          3HD1      ILE   8   0.344   6.883   6.883
   51   3HD1  ILE   8          2HD1      ILE   8  -1.266   7.057   7.057
   52    H    VAL   9           H        VAL   9  -1.003   2.452   2.452
   53    HA   VAL   9           HA       VAL   9   1.595   2.176   2.176
   54    HB   VAL   9           HB       VAL   9   1.844   0.393   0.393
   55   1HG1  VAL   9          1HG1      VAL   9   0.253  -0.043  -0.043
   56   2HG1  VAL   9          3HG1      VAL   9   1.025  -1.331  -1.331
   57   3HG1  VAL   9          2HG1      VAL   9   2.018  -0.091  -0.091
   58   1HG2  VAL   9          1HG2      VAL   9  -0.315   0.840   0.840
   59   2HG2  VAL   9          3HG2      VAL   9  -0.302  -0.807  -0.807
   60   3HG2  VAL   9          2HG2      VAL   9  -1.174   0.501   0.501
   61    H    LYS  10           H        LYS  10   3.544   2.669   2.669
   62    HA   LYS  10           HA       LYS  10   3.083   4.250   4.250
   63   1HB   LYS  10          2HB       LYS  10   4.979   4.731   4.731
   64   2HB   LYS  10          1HB       LYS  10   5.176   5.517   5.517
   65   1HG   LYS  10          2HG       LYS  10   2.549   5.597   5.597
   66   2HG   LYS  10          1HG       LYS  10   3.838   6.777   6.777
   67   1HD   LYS  10          2HD       LYS  10   3.728   6.912   6.912
   68   2HD   LYS  10          1HD       LYS  10   2.049   6.446   6.446
   69   1HE   LYS  10          2HE       LYS  10   2.385   8.932   8.932
   70   2HE   LYS  10          1HE       LYS  10   1.779   8.379   8.379
   71   1HZ   LYS  10          1HZ       LYS  10   4.599   8.969   8.969
   72   2HZ   LYS  10          3HZ       LYS  10   3.571   9.944   9.944
   73   3HZ   LYS  10          2HZ       LYS  10   4.039   8.468   8.468
   74    H    TRP  11           H        TRP  11   5.680   2.445   2.445
   75    HA   TRP  11           HA       TRP  11   6.476   1.324   1.324
   76   1HB   TRP  11          2HB       TRP  11   8.492   1.642   1.642
   77   2HB   TRP  11          1HB       TRP  11   8.694   1.634   1.634
   78    HD1  TRP  11           HD1      TRP  11   7.463   4.110   4.110
   79    HE1  TRP  11           HE1      TRP  11   7.732   6.425   6.425
   80    HE3  TRP  11           HE3      TRP  11   9.021   3.082   3.082
   81    HZ2  TRP  11           HZ2      TRP  11   8.579   7.838   7.838
   82    HZ3  TRP  11           HZ3      TRP  11   9.530   5.046   5.046
   83    HH2  TRP  11           HH2      TRP  11   9.330   7.317   7.317
   84    H    PHE  12           H        PHE  12   6.564  -0.881  -0.881
   85    HA   PHE  12           HA       PHE  12   6.091  -2.407  -2.407
   86   1HB   PHE  12          2HB       PHE  12   4.428  -3.315  -3.315
   87   2HB   PHE  12          1HB       PHE  12   4.872  -2.425  -2.425
   88    HD1  PHE  12           HD1      PHE  12   7.344  -3.481  -3.481
   89    HD2  PHE  12           HD2      PHE  12   4.131  -5.598  -5.598
   90    HE1  PHE  12           HE1      PHE  12   8.035  -5.585  -5.585
   91    HE2  PHE  12           HE2      PHE  12   4.829  -7.699  -7.699
   92    HZ   PHE  12           HZ       PHE  12   6.781  -7.697  -7.697
   93    H    ASN  13           H        ASN  13   7.279  -4.359  -4.359
   94    HA   ASN  13           HA       ASN  13   9.603  -4.826  -4.826
   95   1HB   ASN  13          2HB       ASN  13   9.679  -3.840  -3.840
   96   2HB   ASN  13          1HB       ASN  13  10.723  -5.233  -5.233
   97   1HD2  ASN  13          1HD2      ASN  13  10.304  -1.883  -1.883
   98   2HD2  ASN  13          2HD2      ASN  13  11.683  -1.451  -1.451
   99    H    ALA  14           H        ALA  14   9.098  -6.876  -6.876
  100    HA   ALA  14           HA       ALA  14   8.167  -8.826  -8.826
  101   1HB   ALA  14          3HB       ALA  14   6.799  -8.561  -8.561
  102   2HB   ALA  14          2HB       ALA  14   8.234  -8.973  -8.973
  103   3HB   ALA  14          1HB       ALA  14   7.525 -10.187 -10.187
  104    H    ASP  15           H        ASP  15  11.025  -7.674  -7.674
  105    HA   ASP  15           HA       ASP  15  12.320 -10.149 -10.149
  106   1HB   ASP  15          2HB       ASP  15  13.287  -8.149  -8.149
  107   2HB   ASP  15          1HB       ASP  15  13.230  -7.377  -7.377
  108    H    LYS  16           H        LYS  16  11.752  -8.336  -8.336
  109    HA   LYS  16           HA       LYS  16  13.071 -10.568 -10.568
  110   1HB   LYS  16          2HB       LYS  16  13.838  -8.873  -8.873
  111   2HB   LYS  16          1HB       LYS  16  14.674  -8.846  -8.846
  112   1HG   LYS  16          2HG       LYS  16  13.204  -6.964  -6.964
  113   2HG   LYS  16          1HG       LYS  16  12.410  -6.993  -6.993
  114   1HD   LYS  16          2HD       LYS  16  14.602  -6.495  -6.495
  115   2HD   LYS  16          1HD       LYS  16  15.365  -6.447  -6.447
  116   1HE   LYS  16          2HE       LYS  16  14.042  -4.512  -4.512
  117   2HE   LYS  16          1HE       LYS  16  13.043  -4.654  -4.654
  118   1HZ   LYS  16          1HZ       LYS  16  15.938  -4.061  -4.061
  119   2HZ   LYS  16          3HZ       LYS  16  14.714  -2.960  -2.960
  120   3HZ   LYS  16          2HZ       LYS  16  15.007  -4.176  -4.176
  121    H    GLY  17           H        GLY  17  10.402  -8.401  -8.401
  122   1HA   GLY  17          1HA       GLY  17   8.234  -8.725  -8.725
  123   2HA   GLY  17          2HA       GLY  17   8.868  -9.833  -9.833
  124    H    PHE  18           H        PHE  18   9.180  -6.353  -6.353
  125    HA   PHE  18           HA       PHE  18   8.651  -5.509  -5.509
  126   1HB   PHE  18          2HB       PHE  18  11.233  -5.269  -5.269
  127   2HB   PHE  18          1HB       PHE  18  10.667  -3.837  -3.837
  128    HD1  PHE  18           HD1      PHE  18  11.174  -7.531  -7.531
  129    HD2  PHE  18           HD2      PHE  18  11.201  -3.512  -3.512
  130    HE1  PHE  18           HE1      PHE  18  12.043  -8.392  -8.392
  131    HE2  PHE  18           HE2      PHE  18  12.070  -4.382  -4.382
  132    HZ   PHE  18           HZ       PHE  18  12.493  -6.822  -6.822
  133    H    GLY  19           H        GLY  19   7.071  -5.492  -5.492
  134   1HA   GLY  19          1HA       GLY  19   7.027  -3.324  -3.324
  135   2HA   GLY  19          2HA       GLY  19   5.554  -3.894  -3.894
  136    H    PHE  20           H        PHE  20   7.090  -1.132  -1.132
  137    HA   PHE  20           HA       PHE  20   7.081   0.122   0.122
  138   1HB   PHE  20          2HB       PHE  20   8.360   0.569   0.569
  139   2HB   PHE  20          1HB       PHE  20   7.446   1.996   1.996
  140    HD1  PHE  20           HD2      PHE  20   9.718  -0.487  -0.487
  141    HD2  PHE  20           HD1      PHE  20   8.597   3.651   3.651
  142    HE1  PHE  20           HE2      PHE  20  11.527   0.223   0.223
  143    HE2  PHE  20           HE1      PHE  20  10.409   4.350   4.350
  144    HZ   PHE  20           HZ       PHE  20  11.875   2.640   2.640
  145    H    ILE  21           H        ILE  21   5.088   0.602   0.602
  146    HA   ILE  21           HA       ILE  21   3.058   1.541   1.541
  147    HB   ILE  21           HB       ILE  21   2.693   0.767   0.767
  148   1HG1  ILE  21          2HG1      ILE  21   2.981  -0.885  -0.885
  149   2HG1  ILE  21          1HG1      ILE  21   3.261  -1.304  -1.304
  150   1HG2  ILE  21          1HG2      ILE  21   0.697   1.113   1.113
  151   2HG2  ILE  21          3HG2      ILE  21   0.305   0.482   0.482
  152   3HG2  ILE  21          2HG2      ILE  21   0.876   2.151   2.151
  153   1HD1  ILE  21          1HD1      ILE  21   0.529  -1.073  -1.073
  154   2HD1  ILE  21          3HD1      ILE  21   1.372  -2.591  -2.591
  155   3HD1  ILE  21          2HD1      ILE  21   0.799  -1.510  -1.510
  156    H    THR  22           H        THR  22   1.608   3.387   3.387
  157    HA   THR  22           HA       THR  22   3.201   5.326   5.326
  158    HB   THR  22           HB       THR  22   2.146   5.610   5.610
  159    HG1  THR  22           HG1      THR  22   4.339   5.380   5.380
  160   1HG2  THR  22          2HG2      THR  22   1.961   7.649   7.649
  161   2HG2  THR  22          1HG2      THR  22   2.640   8.189   8.189
  162   3HG2  THR  22          3HG2      THR  22   0.986   7.551   7.551
  163    HA   PRO  23           HA       PRO  23  -0.764   5.185   5.185
  164   1HB   PRO  23          2HB       PRO  23   0.198   6.460   6.460
  165   2HB   PRO  23          1HB       PRO  23   0.275   4.709   4.709
  166   1HG   PRO  23          2HG       PRO  23   2.414   6.727   6.727
  167   2HG   PRO  23          1HG       PRO  23   2.520   4.961   4.961
  168   1HD   PRO  23          2HD       PRO  23   3.039   6.557   6.557
  169   2HD   PRO  23          1HD       PRO  23   3.037   4.787   4.787
  170    H    ASP  24           H        ASP  24  -1.876   7.049   7.049
  171    HA   ASP  24           HA       ASP  24  -2.014   9.361   9.361
  172   1HB   ASP  24          2HB       ASP  24  -4.003   9.952   9.952
  173   2HB   ASP  24          1HB       ASP  24  -4.136   8.412   8.412
  174    H    ASP  25           H        ASP  25  -1.375   8.487   8.487
  175    HA   ASP  25           HA       ASP  25   0.293  10.831  10.831
  176   1HB   ASP  25          2HB       ASP  25  -0.970  11.836  11.836
  177   2HB   ASP  25          1HB       ASP  25  -1.910  11.871  11.871
  178    H    GLY  26           H        GLY  26  -0.702   7.696   7.696
  179   1HA   GLY  26          1HA       GLY  26   0.237   7.490   7.490
  180   2HA   GLY  26          2HA       GLY  26  -0.311   6.169   6.169
  181    H    SER  27           H        SER  27   2.388   8.507   8.507
  182    HA   SER  27           HA       SER  27   4.638   8.154   8.154
  183   1HB   SER  27          2HB       SER  27   3.878   5.656   5.656
  184   2HB   SER  27          1HB       SER  27   4.410   5.384   5.384
  185    HG   SER  27           HG       SER  27   6.458   5.830   5.830
  186    H    LYS  28           H        LYS  28   6.225   6.771   6.771
  187    HA   LYS  28           HA       LYS  28   5.301   8.184   8.184
  188   1HB   LYS  28          2HB       LYS  28   8.151   7.339   7.339
  189   2HB   LYS  28          1HB       LYS  28   7.496   8.669   8.669
  190   1HG   LYS  28          2HG       LYS  28   7.519   8.507   8.507
  191   2HG   LYS  28          1HG       LYS  28   8.598   9.508   9.508
  192   1HD   LYS  28          2HD       LYS  28   5.777   9.941   9.941
  193   2HD   LYS  28          1HD       LYS  28   6.091  10.238  10.238
  194   1HE   LYS  28          2HE       LYS  28   7.425  12.067  12.067
  195   2HE   LYS  28          1HE       LYS  28   8.082  11.364  11.364
  196   1HZ   LYS  28          1HZ       LYS  28   5.374  12.505  12.505
  197   2HZ   LYS  28          3HZ       LYS  28   6.664  13.238  13.238
  198   3HZ   LYS  28          2HZ       LYS  28   5.985  11.864  11.864
  199    H    ASP  29           H        ASP  29   6.912   6.958   6.958
  200    HA   ASP  29           HA       ASP  29   5.449   4.794   4.794
  201   1HB   ASP  29          2HB       ASP  29   7.750   3.991   3.991
  202   2HB   ASP  29          1HB       ASP  29   6.987   5.482   5.482
  203    H    VAL  30           H        VAL  30   5.133   2.708   2.708
  204    HA   VAL  30           HA       VAL  30   7.088   1.586   1.586
  205    HB   VAL  30           HB       VAL  30   5.040   0.202   0.202
  206   1HG1  VAL  30          1HG1      VAL  30   5.310   3.152   3.152
  207   2HG1  VAL  30          3HG1      VAL  30   4.413   1.932   1.932
  208   3HG1  VAL  30          2HG1      VAL  30   6.172   1.793   1.793
  209   1HG2  VAL  30          1HG2      VAL  30   3.504   0.937   0.937
  210   2HG2  VAL  30          3HG2      VAL  30   2.883   1.436   1.436
  211   3HG2  VAL  30          2HG2      VAL  30   3.659   2.624   2.624
  212    H    PHE  31           H        PHE  31   7.800  -0.538  -0.538
  213    HA   PHE  31           HA       PHE  31   7.339  -1.620  -1.620
  214   1HB   PHE  31          2HB       PHE  31   9.199  -3.073  -3.073
  215   2HB   PHE  31          1HB       PHE  31   9.619  -1.396  -1.396
  216    HD1  PHE  31           HD1      PHE  31   8.434  -4.487  -4.487
  217    HD2  PHE  31           HD2      PHE  31  10.530  -0.712  -0.712
  218    HE1  PHE  31           HE1      PHE  31   9.148  -5.027  -5.027
  219    HE2  PHE  31           HE2      PHE  31  11.240  -1.262  -1.262
  220    HZ   PHE  31           HZ       PHE  31  10.552  -3.419  -3.419
  221    H    VAL  32           H        VAL  32   6.619  -3.774  -3.774
  222    HA   VAL  32           HA       VAL  32   5.623  -5.321  -5.321
  223    HB   VAL  32           HB       VAL  32   3.690  -4.237  -4.237
  224   1HG1  VAL  32          1HG1      VAL  32   4.063  -3.697  -3.697
  225   2HG1  VAL  32          3HG1      VAL  32   2.690  -3.125  -3.125
  226   3HG1  VAL  32          2HG1      VAL  32   4.334  -2.548  -2.548
  227   1HG2  VAL  32          1HG2      VAL  32   3.140  -6.545  -6.545
  228   2HG2  VAL  32          3HG2      VAL  32   1.998  -5.407  -5.407
  229   3HG2  VAL  32          2HG2      VAL  32   3.306  -6.134  -6.134
  230    H    HIS  33           H        HIS  33   5.333  -7.537  -7.537
  231    HA   HIS  33           HA       HIS  33   6.737  -8.309  -8.309
  232   1HB   HIS  33          2HB       HIS  33   7.030  -9.376  -9.376
  233   2HB   HIS  33          1HB       HIS  33   5.424 -10.103 -10.103
  234    HD1  HIS  33           HD1      HIS  33   6.523 -10.350 -10.350
  235    HD2  HIS  33           HD2      HIS  33   7.878 -12.327 -12.327
  236    HE1  HIS  33           HE1      HIS  33   7.650 -12.318 -12.318
  237    H    PHE  34           H        PHE  34   5.871  -9.086  -9.086
  238    HA   PHE  34           HA       PHE  34   3.025  -8.715  -8.715
  239   1HB   PHE  34          2HB       PHE  34   5.267  -9.966  -9.966
  240   2HB   PHE  34          1HB       PHE  34   3.634  -9.715  -9.715
  241    HD1  PHE  34           HD2      PHE  34   3.321  -6.953  -6.953
  242    HD2  PHE  34           HD1      PHE  34   6.247  -8.545  -8.545
  243    HE1  PHE  34           HE2      PHE  34   3.900  -4.647  -4.647
  244    HE2  PHE  34           HE1      PHE  34   6.819  -6.237  -6.237
  245    HZ   PHE  34           HZ       PHE  34   5.648  -4.286  -4.286
  246    H    SER  35           H        SER  35   3.298 -10.463 -10.463
  247    HA   SER  35           HA       SER  35   2.629 -13.097 -13.097
  248   1HB   SER  35          2HB       SER  35   4.504 -12.771 -12.771
  249   2HB   SER  35          1HB       SER  35   3.135 -12.671 -12.671
  250    HG   SER  35           HG       SER  35   2.547 -14.754 -14.754
  251    H    ALA  36           H        ALA  36   1.219 -10.278 -10.278
  252    HA   ALA  36           HA       ALA  36  -1.298 -11.721 -11.721
  253   1HB   ALA  36          3HB       ALA  36  -0.190 -10.683 -10.683
  254   2HB   ALA  36          2HB       ALA  36  -0.166  -9.119  -9.119
  255   3HB   ALA  36          1HB       ALA  36  -1.719  -9.862  -9.862
  256    H    ILE  37           H        ILE  37  -0.099 -10.451 -10.451
  257    HA   ILE  37           HA       ILE  37  -1.609  -8.023  -8.023
  258    HB   ILE  37           HB       ILE  37   0.440  -8.303  -8.303
  259   1HG1  ILE  37          2HG1      ILE  37  -1.983  -7.600  -7.600
  260   2HG1  ILE  37          1HG1      ILE  37  -0.345  -7.002  -7.002
  261   1HG2  ILE  37          1HG2      ILE  37  -0.782 -10.708 -10.708
  262   2HG2  ILE  37          3HG2      ILE  37   0.792  -9.967  -9.967
  263   3HG2  ILE  37          2HG2      ILE  37   0.541 -10.725 -10.725
  264   1HD1  ILE  37          1HD1      ILE  37  -1.618  -9.514  -9.514
  265   2HD1  ILE  37          3HD1      ILE  37  -1.399  -7.948  -7.948
  266   3HD1  ILE  37          2HD1      ILE  37   0.013  -8.914  -8.914
  267    H    GLN  38           H        GLN  38  -3.570  -9.382  -9.382
  268    HA   GLN  38           HA       GLN  38  -4.942 -11.292 -11.292
  269   1HB   GLN  38          2HB       GLN  38  -6.043  -8.842  -8.842
  270   2HB   GLN  38          1HB       GLN  38  -7.066 -10.169 -10.169
  271   1HG   GLN  38          2HG       GLN  38  -6.570 -11.384 -11.384
  272   2HG   GLN  38          1HG       GLN  38  -4.836 -11.262 -11.262
  273   1HE2  GLN  38          1HE2      GLN  38  -4.356  -8.601  -8.601
  274   2HE2  GLN  38          2HE2      GLN  38  -4.615  -8.027  -8.027
  275    H    ASN  39           H        ASN  39  -4.881 -11.334 -11.334
  276    HA   ASN  39           HA       ASN  39  -6.779 -10.128 -10.128
  277   1HB   ASN  39          2HB       ASN  39  -4.746  -8.166  -8.166
  278   2HB   ASN  39          1HB       ASN  39  -4.710  -8.468  -8.468
  279   1HD2  ASN  39          1HD2      ASN  39  -6.038  -7.356  -7.356
  280   2HD2  ASN  39          2HD2      ASN  39  -7.525  -6.555  -6.555
  281    H    ASP  40           H        ASP  40  -6.668 -11.970 -11.970
  282    HA   ASP  40           HA       ASP  40  -4.060 -12.856 -12.856
  283   1HB   ASP  40          2HB       ASP  40  -5.525 -14.610 -14.610
  284   2HB   ASP  40          1HB       ASP  40  -6.911 -13.842 -13.842
  285    H    GLY  41           H        GLY  41  -3.228 -12.170 -12.170
  286   1HA   GLY  41          1HA       GLY  41  -4.542 -11.985 -11.985
  287   2HA   GLY  41          2HA       GLY  41  -4.720 -10.376 -10.376
  288    H    TYR  42           H        TYR  42  -3.269  -9.222  -9.222
  289    HA   TYR  42           HA       TYR  42  -0.759 -10.260 -10.260
  290   1HB   TYR  42          1HB       TYR  42  -0.183  -7.705  -7.705
  291   2HB   TYR  42          2HB       TYR  42  -1.428  -8.379  -8.379
  292    HD1  TYR  42           HD2      TYR  42  -3.897  -8.115  -8.115
  293    HD2  TYR  42           HD1      TYR  42  -0.722  -5.900  -5.900
  294    HE1  TYR  42           HE2      TYR  42  -5.548  -6.454  -6.454
  295    HE2  TYR  42           HE1      TYR  42  -2.374  -4.240  -4.240
  296    HH   TYR  42           HH       TYR  42  -5.881  -4.670  -4.670
  297    H    LYS  43           H        LYS  43   1.008 -10.808 -10.808
  298    HA   LYS  43           HA       LYS  43   1.133 -10.210 -10.210
  299   1HB   LYS  43          2HB       LYS  43   3.411 -11.255 -11.255
  300   2HB   LYS  43          1HB       LYS  43   3.113 -11.514 -11.514
  301   1HG   LYS  43          2HG       LYS  43   1.304 -12.482 -12.482
  302   2HG   LYS  43          1HG       LYS  43   2.510 -13.488 -13.488
  303   1HD   LYS  43          2HD       LYS  43   1.070 -12.397 -12.397
  304   2HD   LYS  43          1HD       LYS  43  -0.182 -12.624 -12.624
  305   1HE   LYS  43          2HE       LYS  43   1.700 -14.721 -14.721
  306   2HE   LYS  43          1HE       LYS  43  -0.066 -14.651 -14.651
  307   1HZ   LYS  43          1HZ       LYS  43   1.429 -15.044 -15.044
  308   2HZ   LYS  43          3HZ       LYS  43   0.628 -16.228 -16.228
  309   3HZ   LYS  43          2HZ       LYS  43  -0.224 -14.997 -14.997
  310    H    SER  44           H        SER  44   0.854  -7.809  -7.809
  311    HA   SER  44           HA       SER  44   3.367  -6.516  -6.516
  312   1HB   SER  44          2HB       SER  44   2.098  -6.318  -6.318
  313   2HB   SER  44          1HB       SER  44   2.775  -4.836  -4.836
  314    HG   SER  44           HG       SER  44   4.075  -6.776  -6.776
  315    H    LEU  45           H        LEU  45   2.998  -4.824  -4.824
  316    HA   LEU  45           HA       LEU  45   0.262  -3.679  -3.679
  317   1HB   LEU  45          2HB       LEU  45   1.637  -5.058  -5.058
  318   2HB   LEU  45          1HB       LEU  45   1.244  -3.398  -3.398
  319    HG   LEU  45           HG       LEU  45  -0.415  -5.152  -5.152
  320   1HD1  LEU  45          1HD1      LEU  45  -1.401  -2.896  -2.896
  321   2HD1  LEU  45          3HD1      LEU  45  -2.413  -3.812  -3.812
  322   3HD1  LEU  45          2HD1      LEU  45  -1.076  -2.808  -2.808
  323   1HD2  LEU  45          1HD2      LEU  45  -0.314  -6.551  -6.551
  324   2HD2  LEU  45          3HD2      LEU  45  -1.983  -5.968  -5.968
  325   3HD2  LEU  45          2HD2      LEU  45  -0.955  -5.225  -5.225
  326    H    ASP  46           H        ASP  46   0.668  -1.631  -1.631
  327    HA   ASP  46           HA       ASP  46   1.438   0.522   0.522
  328   1HB   ASP  46          2HB       ASP  46   3.951  -0.864  -0.864
  329   2HB   ASP  46          1HB       ASP  46   3.890   0.869   0.869
  330    H    GLU  47           H        GLU  47   2.880   2.232   2.232
  331    HA   GLU  47           HA       GLU  47   3.232   3.149   3.149
  332   1HB   GLU  47          2HB       GLU  47   3.113   0.702   0.702
  333   2HB   GLU  47          1HB       GLU  47   1.447   1.122   1.122
  334   1HG   GLU  47          2HG       GLU  47   2.179   2.859   2.859
  335   2HG   GLU  47          1HG       GLU  47   3.812   2.863   2.863
  336    H    GLY  48           H        GLY  48   1.090   3.543   3.543
  337   1HA   GLY  48          1HA       GLY  48  -0.531   5.254   5.254
  338   2HA   GLY  48          2HA       GLY  48  -0.702   5.175   5.175
  339    H    GLN  49           H        GLN  49  -1.291   3.282   3.282
  340    HA   GLN  49           HA       GLN  49  -3.916   2.537   2.537
  341   1HB   GLN  49          2HB       GLN  49  -2.946   0.592   0.592
  342   2HB   GLN  49          1HB       GLN  49  -1.684   0.581   0.581
  343   1HG   GLN  49          2HG       GLN  49  -3.202  -1.225  -1.225
  344   2HG   GLN  49          1HG       GLN  49  -3.506   0.053   0.053
  345   1HE2  GLN  49          1HE2      GLN  49  -4.668  -1.760  -1.760
  346   2HE2  GLN  49          2HE2      GLN  49  -6.331  -1.161  -1.161
  347    H    LYS  50           H        LYS  50  -5.398   2.789   2.789
  348    HA   LYS  50           HA       LYS  50  -4.411   3.265   3.265
  349   1HB   LYS  50          2HB       LYS  50  -6.235   4.578   4.578
  350   2HB   LYS  50          1HB       LYS  50  -7.313   3.236   3.236
  351   1HG   LYS  50          2HG       LYS  50  -5.873   3.909   3.909
  352   2HG   LYS  50          1HG       LYS  50  -6.362   5.449   5.449
  353   1HD   LYS  50          2HD       LYS  50  -8.216   3.094   3.094
  354   2HD   LYS  50          1HD       LYS  50  -8.063   4.538   4.538
  355   1HE   LYS  50          2HE       LYS  50  -9.223   4.272   4.272
  356   2HE   LYS  50          1HE       LYS  50  -9.955   5.000   5.000
  357   1HZ   LYS  50          1HZ       LYS  50  -7.648   6.078   6.078
  358   2HZ   LYS  50          3HZ       LYS  50  -9.216   6.649   6.649
  359   3HZ   LYS  50          2HZ       LYS  50  -8.337   6.775   6.775
  360    H    VAL  51           H        VAL  51  -4.030   1.642   1.642
  361    HA   VAL  51           HA       VAL  51  -5.814  -0.733  -0.733
  362    HB   VAL  51           HB       VAL  51  -4.065  -2.156  -2.156
  363   1HG1  VAL  51          1HG1      VAL  51  -2.991  -0.019  -0.019
  364   2HG1  VAL  51          3HG1      VAL  51  -2.378  -1.692  -1.692
  365   3HG1  VAL  51          2HG1      VAL  51  -4.037  -1.388  -1.388
  366   1HG2  VAL  51          1HG2      VAL  51  -2.956  -0.902  -0.902
  367   2HG2  VAL  51          3HG2      VAL  51  -1.756  -1.426  -1.426
  368   3HG2  VAL  51          2HG2      VAL  51  -2.310   0.259   0.259
  369    H    SER  52           H        SER  52  -5.038  -2.032  -2.032
  370    HA   SER  52           HA       SER  52  -5.239  -0.051  -0.051
  371   1HB   SER  52          2HB       SER  52  -7.559  -1.291  -1.291
  372   2HB   SER  52          1HB       SER  52  -7.150  -2.198  -2.198
  373    HG   SER  52           HG       SER  52  -7.976   0.456   0.456
  374    H    PHE  53           H        PHE  53  -4.360  -0.792  -0.792
  375    HA   PHE  53           HA       PHE  53  -3.457  -3.663  -3.663
  376   1HB   PHE  53          2HB       PHE  53  -1.366  -2.552  -2.552
  377   2HB   PHE  53          1HB       PHE  53  -1.454  -2.768  -2.768
  378    HD1  PHE  53           HD1      PHE  53  -1.853  -0.844  -0.844
  379    HD2  PHE  53           HD2      PHE  53  -1.402  -0.295  -0.295
  380    HE1  PHE  53           HE1      PHE  53  -1.458   1.583   1.583
  381    HE2  PHE  53           HE2      PHE  53  -1.008   2.132   2.132
  382    HZ   PHE  53           HZ       PHE  53  -1.036   3.075   3.075
  383    H    THR  54           H        THR  54  -2.019  -3.261  -3.261
  384    HA   THR  54           HA       THR  54  -4.060  -2.215  -2.215
  385    HB   THR  54           HB       THR  54  -4.782  -4.545  -4.545
  386    HG1  THR  54           HG1      THR  54  -4.339  -3.468  -3.468
  387   1HG2  THR  54          2HG2      THR  54  -1.784  -5.006  -5.006
  388   2HG2  THR  54          1HG2      THR  54  -2.817  -6.173  -6.173
  389   3HG2  THR  54          3HG2      THR  54  -3.025  -5.927  -5.927
  390    H    ILE  55           H        ILE  55  -1.327  -1.429  -1.429
  391    HA   ILE  55           HA       ILE  55   0.672  -0.786  -0.786
  392    HB   ILE  55           HB       ILE  55  -1.304  -0.311  -0.311
  393   1HG1  ILE  55          2HG1      ILE  55   0.084   1.940   1.940
  394   2HG1  ILE  55          1HG1      ILE  55   0.828   1.230   1.230
  395   1HG2  ILE  55          1HG2      ILE  55   1.634  -0.331  -0.331
  396   2HG2  ILE  55          3HG2      ILE  55   0.316   0.414   0.414
  397   3HG2  ILE  55          2HG2      ILE  55   0.339  -1.340  -1.340
  398   1HD1  ILE  55          1HD1      ILE  55  -2.171   1.652   1.652
  399   2HD1  ILE  55          3HD1      ILE  55  -1.112   2.649   2.649
  400   3HD1  ILE  55          2HD1      ILE  55  -1.434   0.956   0.956
  401    H    GLU  56           H        GLU  56   2.482  -1.267  -1.267
  402    HA   GLU  56           HA       GLU  56   2.248  -3.991  -3.991
  403   1HB   GLU  56          2HB       GLU  56   4.321  -3.176  -3.176
  404   2HB   GLU  56          1HB       GLU  56   4.482  -4.606  -4.606
  405   1HG   GLU  56          2HG       GLU  56   1.975  -4.169  -4.169
  406   2HG   GLU  56          1HG       GLU  56   3.430  -4.841  -4.841
  407    H    SER  57           H        SER  57   5.405  -3.787  -3.787
  408    HA   SER  57           HA       SER  57   7.014  -2.844  -2.844
  409   1HB   SER  57          2HB       SER  57   5.501  -0.661  -0.661
  410   2HB   SER  57          1HB       SER  57   5.169  -0.920  -0.920
  411    HG   SER  57           HG       SER  57   7.686  -0.490  -0.490
  412    H    GLY  58           H        GLY  58   7.437  -4.506  -4.506
  413   1HA   GLY  58          1HA       GLY  58   5.621  -4.791  -4.791
  414   2HA   GLY  58          2HA       GLY  58   6.495  -6.136  -6.136
  415    H    ALA  59           H        ALA  59   8.961  -4.572  -4.572
  416    HA   ALA  59           HA       ALA  59   9.971  -4.372  -4.372
  417   1HB   ALA  59          3HB       ALA  59  10.971  -6.200  -6.200
  418   2HB   ALA  59          2HB       ALA  59  11.433  -4.983  -4.983
  419   3HB   ALA  59          1HB       ALA  59  12.172  -4.946  -4.946
  420    H    LYS  60           H        LYS  60  10.093  -3.036  -3.036
  421    HA   LYS  60           HA       LYS  60  10.192  -0.376  -0.376
  422   1HB   LYS  60          2HB       LYS  60  12.623   0.123   0.123
  423   2HB   LYS  60          1HB       LYS  60  12.313  -0.583  -0.583
  424   1HG   LYS  60          2HG       LYS  60  12.622  -2.691  -2.691
  425   2HG   LYS  60          1HG       LYS  60  14.000  -1.577  -1.577
  426   1HD   LYS  60          2HD       LYS  60  14.317  -1.810  -1.810
  427   2HD   LYS  60          1HD       LYS  60  12.976  -2.973  -2.973
  428   1HE   LYS  60          2HE       LYS  60  15.747  -3.262  -3.262
  429   2HE   LYS  60          1HE       LYS  60  14.852  -4.381  -4.381
  430   1HZ   LYS  60          1HZ       LYS  60  14.229  -3.778  -3.778
  431   2HZ   LYS  60          3HZ       LYS  60  14.975  -5.160  -5.160
  432   3HZ   LYS  60          2HZ       LYS  60  13.394  -4.840  -4.840
  433    H    GLY  61           H        GLY  61  11.825  -2.465  -2.465
  434   1HA   GLY  61          1HA       GLY  61  11.481  -0.774  -0.774
  435   2HA   GLY  61          2HA       GLY  61  11.545  -2.545  -2.545
  436    HA   PRO  62           HA       PRO  62   7.016  -0.904  -0.904
  437   1HB   PRO  62          2HB       PRO  62   6.824   1.287   1.287
  438   2HB   PRO  62          1HB       PRO  62   6.913   1.439   1.439
  439   1HG   PRO  62          2HG       PRO  62   8.951   1.995   1.995
  440   2HG   PRO  62          1HG       PRO  62   8.864   2.523   2.523
  441   1HD   PRO  62          2HD       PRO  62  10.532   0.472   0.472
  442   2HD   PRO  62          1HD       PRO  62  10.354   0.941   0.941
  443    H    ALA  63           H        ALA  63   5.330  -1.171  -1.171
  444    HA   ALA  63           HA       ALA  63   6.040  -1.699  -1.699
  445   1HB   ALA  63          3HB       ALA  63   7.171  -3.679  -3.679
  446   2HB   ALA  63          2HB       ALA  63   5.630  -4.116  -4.116
  447   3HB   ALA  63          1HB       ALA  63   5.780  -4.177  -4.177
  448    H    ALA  64           H        ALA  64   4.162  -3.780  -3.780
  449    HA   ALA  64           HA       ALA  64   1.597  -2.847  -2.847
  450   1HB   ALA  64          3HB       ALA  64   1.976  -1.508  -1.508
  451   2HB   ALA  64          2HB       ALA  64   2.189  -3.022  -3.022
  452   3HB   ALA  64          1HB       ALA  64   0.614  -2.649  -2.649
  453    H    GLY  65           H        GLY  65  -0.045  -4.424  -4.424
  454   1HA   GLY  65          1HA       GLY  65   0.785  -7.068  -7.068
  455   2HA   GLY  65          2HA       GLY  65   0.045  -6.919  -6.919
  456    H    ASN  66           H        ASN  66  -1.082  -8.495  -8.495
  457    HA   ASN  66           HA       ASN  66  -2.992  -8.770  -8.770
  458   1HB   ASN  66          2HB       ASN  66  -3.899  -7.046  -7.046
  459   2HB   ASN  66          1HB       ASN  66  -5.047  -7.545  -7.545
  460   1HD2  ASN  66          1HD2      ASN  66  -4.546  -8.168  -8.168
  461   2HD2  ASN  66          2HD2      ASN  66  -4.598  -9.931  -9.931
  462    H    VAL  67           H        VAL  67  -1.631  -7.307  -7.307
  463    HA   VAL  67           HA       VAL  67  -2.893  -4.681  -4.681
  464    HB   VAL  67           HB       VAL  67  -1.212  -4.822  -4.822
  465   1HG1  VAL  67          1HG1      VAL  67  -0.394  -4.367  -4.367
  466   2HG1  VAL  67          3HG1      VAL  67   0.522  -3.812  -3.812
  467   3HG1  VAL  67          2HG1      VAL  67  -1.099  -3.167  -3.167
  468   1HG2  VAL  67          1HG2      VAL  67  -0.564  -7.166  -7.166
  469   2HG2  VAL  67          3HG2      VAL  67   0.835  -6.095  -6.095
  470   3HG2  VAL  67          2HG2      VAL  67  -0.043  -6.806  -6.806
  471    H    THR  68           H        THR  68  -4.784  -4.583  -4.583
  472    HA   THR  68           HA       THR  68  -5.160  -6.512  -6.512
  473    HB   THR  68           HB       THR  68  -6.809  -7.202  -7.202
  474    HG1  THR  68           HG1      THR  68  -8.607  -6.488  -6.488
  475   1HG2  THR  68          2HG2      THR  68  -6.799  -4.253  -4.253
  476   2HG2  THR  68          1HG2      THR  68  -8.333  -5.127  -5.127
  477   3HG2  THR  68          3HG2      THR  68  -6.923  -5.652  -5.652
  478    H    SER  69           H        SER  69  -5.700  -5.673  -5.673
  479    HA   SER  69           HA       SER  69  -5.306  -2.852  -2.852
  480   1HB   SER  69          2HB       SER  69  -5.510  -3.274  -3.274
  481   2HB   SER  69          1HB       SER  69  -4.815  -4.771  -4.771
  482    HG   SER  69           HG       SER  69  -7.621  -4.490  -4.490
  483    H    LEU  70           H        LEU  70  -6.757  -1.202  -1.202
  484    HA   LEU  70           HA       LEU  70  -9.572  -1.962  -1.962
  485   1HB   LEU  70          2HB       LEU  70  -7.867  -0.076  -0.076
  486   2HB   LEU  70          1HB       LEU  70  -9.054   0.850   0.850
  487    HG   LEU  70           HG       LEU  70  -9.575  -1.160  -1.160
  488   1HD1  LEU  70          1HD1      LEU  70  -9.998   1.855   1.855
  489   2HD1  LEU  70          3HD1      LEU  70 -10.522   0.771   0.771
  490   3HD1  LEU  70          2HD1      LEU  70  -8.797   0.967   0.967
  491   1HD2  LEU  70          1HD2      LEU  70 -11.339  -1.327  -1.327
  492   2HD2  LEU  70          3HD2      LEU  70 -11.987  -0.554  -0.554
  493   3HD2  LEU  70          2HD2      LEU  70 -11.592   0.430   0.430

  Start of MODEL   13
    1    H    SER   2           H        SER   2 -13.072   1.108   1.108
    2    HA   SER   2           HA       SER   2 -12.758   2.894   2.894
    3   1HB   SER   2          2HB       SER   2 -10.330   1.798   1.798
    4   2HB   SER   2          1HB       SER   2 -10.784   2.680   2.680
    5    HG   SER   2           HG       SER   2 -10.436   0.878   0.878
    6    H    GLY   3           H        GLY   3 -11.331  -0.317  -0.317
    7   1HA   GLY   3          1HA       GLY   3 -12.239  -1.608  -1.608
    8   2HA   GLY   3          2HA       GLY   3 -12.606  -0.068  -0.068
    9    H    LYS   4           H        LYS   4 -11.271  -0.909  -0.909
   10    HA   LYS   4           HA       LYS   4  -8.407  -1.132  -1.132
   11   1HB   LYS   4          2HB       LYS   4 -10.207  -1.904  -1.904
   12   2HB   LYS   4          1HB       LYS   4  -8.557  -1.435  -1.435
   13   1HG   LYS   4          2HG       LYS   4  -7.829  -3.465  -3.465
   14   2HG   LYS   4          1HG       LYS   4  -8.356  -3.096  -3.096
   15   1HD   LYS   4          2HD       LYS   4 -10.527  -3.878  -3.878
   16   2HD   LYS   4          1HD       LYS   4  -9.335  -5.152  -5.152
   17   1HE   LYS   4          2HE       LYS   4  -9.699  -4.843  -4.843
   18   2HE   LYS   4          1HE       LYS   4 -10.881  -3.565  -3.565
   19   1HZ   LYS   4          1HZ       LYS   4 -11.088  -6.387  -6.387
   20   2HZ   LYS   4          3HZ       LYS   4 -11.926  -5.676  -5.676
   21   3HZ   LYS   4          2HZ       LYS   4 -12.208  -5.202  -5.202
   22    H    MET   5           H        MET   5  -6.828   0.096   0.096
   23    HA   MET   5           HA       MET   5  -7.850   2.880   2.880
   24   1HB   MET   5          2HB       MET   5  -5.345   3.433   3.433
   25   2HB   MET   5          1HB       MET   5  -6.190   2.937   2.937
   26   1HG   MET   5          2HG       MET   5  -5.183   0.586   0.586
   27   2HG   MET   5          1HG       MET   5  -3.866   1.764   1.764
   28   1HE   MET   5          1HE       MET   5  -6.798  -0.147  -0.147
   29   2HE   MET   5          3HE       MET   5  -6.516   0.370   0.370
   30   3HE   MET   5          2HE       MET   5  -7.041   1.547   1.547
   31    H    THR   6           H        THR   6  -7.573   3.871   3.871
   32    HA   THR   6           HA       THR   6  -6.804   2.145   2.145
   33    HB   THR   6           HB       THR   6  -7.679   4.019   4.019
   34    HG1  THR   6           HG1      THR   6  -7.426   5.945   5.945
   35   1HG2  THR   6          2HG2      THR   6  -9.133   3.310   3.310
   36   2HG2  THR   6          1HG2      THR   6  -9.728   4.705   4.705
   37   3HG2  THR   6          3HG2      THR   6  -9.691   3.102   3.102
   38    H    GLY   7           H        GLY   7  -5.216   2.880   2.880
   39   1HA   GLY   7          1HA       GLY   7  -3.278   4.878   4.878
   40   2HA   GLY   7          2HA       GLY   7  -2.662   3.419   3.419
   41    H    ILE   8           H        ILE   8  -2.350   5.096   5.096
   42    HA   ILE   8           HA       ILE   8  -2.574   2.810   2.810
   43    HB   ILE   8           HB       ILE   8  -2.665   4.230   4.230
   44   1HG1  ILE   8          2HG1      ILE   8  -0.857   6.195   6.195
   45   2HG1  ILE   8          1HG1      ILE   8  -0.339   5.017   5.017
   46   1HG2  ILE   8          1HG2      ILE   8  -3.332   6.095   6.095
   47   2HG2  ILE   8          3HG2      ILE   8  -3.796   6.362   6.362
   48   3HG2  ILE   8          2HG2      ILE   8  -4.436   4.966   4.966
   49   1HD1  ILE   8          1HD1      ILE   8  -2.318   7.308   7.308
   50   2HD1  ILE   8          3HD1      ILE   8  -0.615   7.272   7.272
   51   3HD1  ILE   8          2HD1      ILE   8  -1.793   6.145   6.145
   52    H    VAL   9           H        VAL   9  -0.795   1.861   1.861
   53    HA   VAL   9           HA       VAL   9   1.791   2.382   2.382
   54    HB   VAL   9           HB       VAL   9   1.348   0.217   0.217
   55   1HG1  VAL   9          1HG1      VAL   9   0.113  -0.029  -0.029
   56   2HG1  VAL   9          3HG1      VAL   9   0.255  -1.356  -1.356
   57   3HG1  VAL   9          2HG1      VAL   9  -0.762   0.055   0.055
   58   1HG2  VAL   9          1HG2      VAL   9   3.520   0.335   0.335
   59   2HG2  VAL   9          3HG2      VAL   9   2.704  -1.205  -1.205
   60   3HG2  VAL   9          2HG2      VAL   9   2.733   0.115   0.115
   61    H    LYS  10           H        LYS  10   3.788   2.209   2.209
   62    HA   LYS  10           HA       LYS  10   3.443   2.543   2.543
   63   1HB   LYS  10          2HB       LYS  10   3.914   4.918   4.918
   64   2HB   LYS  10          1HB       LYS  10   4.723   4.849   4.849
   65   1HG   LYS  10          2HG       LYS  10   2.143   4.063   4.063
   66   2HG   LYS  10          1HG       LYS  10   1.867   5.245   5.245
   67   1HD   LYS  10          2HD       LYS  10   3.870   6.069   6.069
   68   2HD   LYS  10          1HD       LYS  10   2.231   5.854   5.854
   69   1HE   LYS  10          2HE       LYS  10   1.351   7.399   7.399
   70   2HE   LYS  10          1HE       LYS  10   2.970   7.560   7.560
   71   1HZ   LYS  10          1HZ       LYS  10   2.191   8.338   8.338
   72   2HZ   LYS  10          3HZ       LYS  10   2.438   9.377   9.377
   73   3HZ   LYS  10          2HZ       LYS  10   3.706   8.509   8.509
   74    H    TRP  11           H        TRP  11   5.299   2.204   2.204
   75    HA   TRP  11           HA       TRP  11   7.808   1.907   1.907
   76   1HB   TRP  11          2HB       TRP  11   7.211   1.927   1.927
   77   2HB   TRP  11          1HB       TRP  11   8.822   1.660   1.660
   78    HD1  TRP  11           HD1      TRP  11  10.230   3.949   3.949
   79    HE1  TRP  11           HE1      TRP  11   9.819   6.345   6.345
   80    HE3  TRP  11           HE3      TRP  11   5.116   3.633   3.633
   81    HZ2  TRP  11           HZ2      TRP  11   7.421   8.109   8.109
   82    HZ3  TRP  11           HZ3      TRP  11   3.887   5.790   5.790
   83    HH2  TRP  11           HH2      TRP  11   4.953   7.933   7.933
   84    H    PHE  12           H        PHE  12   5.440   0.051   0.051
   85    HA   PHE  12           HA       PHE  12   6.239  -2.448  -2.448
   86   1HB   PHE  12          2HB       PHE  12   4.096  -2.859  -2.859
   87   2HB   PHE  12          1HB       PHE  12   3.943  -1.377  -1.377
   88    HD1  PHE  12           HD2      PHE  12   4.240  -1.357  -1.357
   89    HD2  PHE  12           HD1      PHE  12   4.259  -5.036  -5.036
   90    HE1  PHE  12           HE2      PHE  12   3.863  -2.653  -2.653
   91    HE2  PHE  12           HE1      PHE  12   3.883  -6.323  -6.323
   92    HZ   PHE  12           HZ       PHE  12   3.683  -5.136  -5.136
   93    H    ASN  13           H        ASN  13   7.471  -4.085  -4.085
   94    HA   ASN  13           HA       ASN  13   8.165  -4.006  -4.006
   95   1HB   ASN  13          2HB       ASN  13  10.212  -3.130  -3.130
   96   2HB   ASN  13          1HB       ASN  13   9.998  -3.449  -3.449
   97   1HD2  ASN  13          1HD2      ASN  13  10.889  -4.781  -4.781
   98   2HD2  ASN  13          2HD2      ASN  13  11.851  -6.142  -6.142
   99    H    ALA  14           H        ALA  14   7.585  -5.977  -5.977
  100    HA   ALA  14           HA       ALA  14   7.772  -8.320  -8.320
  101   1HB   ALA  14          3HB       ALA  14   5.586  -7.854  -7.854
  102   2HB   ALA  14          2HB       ALA  14   6.423  -7.968  -7.968
  103   3HB   ALA  14          1HB       ALA  14   6.305  -9.402  -9.402
  104    H    ASP  15           H        ASP  15  10.022  -6.885  -6.885
  105    HA   ASP  15           HA       ASP  15  10.745  -8.960  -8.960
  106   1HB   ASP  15          2HB       ASP  15  11.209  -6.284  -6.284
  107   2HB   ASP  15          1HB       ASP  15  12.689  -6.893  -6.893
  108    H    LYS  16           H        LYS  16  11.891  -7.619  -7.619
  109    HA   LYS  16           HA       LYS  16  13.666  -9.981  -9.981
  110   1HB   LYS  16          2HB       LYS  16  14.807  -8.628  -8.628
  111   2HB   LYS  16          1HB       LYS  16  14.971  -8.031  -8.031
  112   1HG   LYS  16          2HG       LYS  16  13.313  -6.319  -6.319
  113   2HG   LYS  16          1HG       LYS  16  12.831  -7.042  -7.042
  114   1HD   LYS  16          2HD       LYS  16  14.229  -5.097  -5.097
  115   2HD   LYS  16          1HD       LYS  16  15.142  -6.557  -6.557
  116   1HE   LYS  16          2HE       LYS  16  16.791  -5.829  -5.829
  117   2HE   LYS  16          1HE       LYS  16  15.694  -6.082  -6.082
  118   1HZ   LYS  16          1HZ       LYS  16  15.906  -3.615  -3.615
  119   2HZ   LYS  16          3HZ       LYS  16  16.529  -3.845  -3.845
  120   3HZ   LYS  16          2HZ       LYS  16  14.887  -3.838  -3.838
  121    H    GLY  17           H        GLY  17  10.939  -8.232  -8.232
  122   1HA   GLY  17          1HA       GLY  17   9.288  -9.535  -9.535
  123   2HA   GLY  17          2HA       GLY  17  10.607 -10.481 -10.481
  124    H    PHE  18           H        PHE  18   9.911  -6.940  -6.940
  125    HA   PHE  18           HA       PHE  18   9.601  -6.426  -6.426
  126   1HB   PHE  18          2HB       PHE  18  12.286  -5.999  -5.999
  127   2HB   PHE  18          1HB       PHE  18  11.724  -4.926  -4.926
  128    HD1  PHE  18           HD1      PHE  18  10.669  -6.275  -6.275
  129    HD2  PHE  18           HD2      PHE  18  13.670  -7.766  -7.766
  130    HE1  PHE  18           HE1      PHE  18  11.471  -7.861  -7.861
  131    HE2  PHE  18           HE2      PHE  18  14.464  -9.349  -9.349
  132    HZ   PHE  18           HZ       PHE  18  13.368  -9.399  -9.399
  133    H    GLY  19           H        GLY  19   9.161  -4.153  -4.153
  134   1HA   GLY  19          1HA       GLY  19   9.302  -2.095  -2.095
  135   2HA   GLY  19          2HA       GLY  19   7.730  -2.888  -2.888
  136    H    PHE  20           H        PHE  20   7.354  -0.403  -0.403
  137    HA   PHE  20           HA       PHE  20   6.736  -0.518  -0.518
  138   1HB   PHE  20          2HB       PHE  20   8.349   1.528   1.528
  139   2HB   PHE  20          1HB       PHE  20   7.314   2.037   2.037
  140    HD1  PHE  20           HD2      PHE  20   9.885  -0.660  -0.660
  141    HD2  PHE  20           HD1      PHE  20   8.252   2.198   2.198
  142    HE1  PHE  20           HE2      PHE  20  11.639  -1.272  -1.272
  143    HE2  PHE  20           HE1      PHE  20  10.007   1.580   1.580
  144    HZ   PHE  20           HZ       PHE  20  11.702  -0.155  -0.155
  145    H    ILE  21           H        ILE  21   5.010   1.016   1.016
  146    HA   ILE  21           HA       ILE  21   3.321   1.689   1.689
  147    HB   ILE  21           HB       ILE  21   2.465   0.651   0.651
  148   1HG1  ILE  21          2HG1      ILE  21   2.818  -0.583  -0.583
  149   2HG1  ILE  21          1HG1      ILE  21   3.107  -1.268  -1.268
  150   1HG2  ILE  21          1HG2      ILE  21   0.769   1.511   1.511
  151   2HG2  ILE  21          3HG2      ILE  21   0.157   0.656   0.656
  152   3HG2  ILE  21          2HG2      ILE  21   0.841   2.288   2.288
  153   1HD1  ILE  21          1HD1      ILE  21   0.367  -0.768  -0.768
  154   2HD1  ILE  21          3HD1      ILE  21   1.175  -2.351  -2.351
  155   3HD1  ILE  21          2HD1      ILE  21   0.644  -1.470  -1.470
  156    H    THR  22           H        THR  22   1.801   3.541   3.541
  157    HA   THR  22           HA       THR  22   2.976   5.452   5.452
  158    HB   THR  22           HB       THR  22   2.356   5.750   5.750
  159    HG1  THR  22           HG1      THR  22   4.080   7.410   7.410
  160   1HG2  THR  22          2HG2      THR  22   1.670   7.726   7.726
  161   2HG2  THR  22          1HG2      THR  22   2.557   8.340   8.340
  162   3HG2  THR  22          3HG2      THR  22   0.961   7.596   7.596
  163    HA   PRO  23           HA       PRO  23  -1.223   5.134   5.134
  164   1HB   PRO  23          2HB       PRO  23  -0.660   6.450   6.450
  165   2HB   PRO  23          1HB       PRO  23  -0.458   4.705   4.705
  166   1HG   PRO  23          2HG       PRO  23   1.567   6.828   6.828
  167   2HG   PRO  23          1HG       PRO  23   1.740   5.069   5.069
  168   1HD   PRO  23          2HD       PRO  23   2.499   6.694   6.694
  169   2HD   PRO  23          1HD       PRO  23   2.567   4.926   4.926
  170    H    ASP  24           H        ASP  24  -2.485   6.410   6.410
  171    HA   ASP  24           HA       ASP  24  -2.114   9.098   9.098
  172   1HB   ASP  24          2HB       ASP  24  -4.519   9.217   9.217
  173   2HB   ASP  24          1HB       ASP  24  -3.849   7.699   7.699
  174    H    ASP  25           H        ASP  25  -3.547   7.608   7.608
  175    HA   ASP  25           HA       ASP  25  -4.337  10.210  10.210
  176   1HB   ASP  25          2HB       ASP  25  -5.002   8.958   8.958
  177   2HB   ASP  25          1HB       ASP  25  -5.572   8.111   8.111
  178    H    GLY  26           H        GLY  26  -1.668   7.842   7.842
  179   1HA   GLY  26          1HA       GLY  26  -0.427   9.310   9.310
  180   2HA   GLY  26          2HA       GLY  26   0.205   7.871   7.871
  181    H    SER  27           H        SER  27   2.235   8.480   8.480
  182    HA   SER  27           HA       SER  27   2.435  10.299  10.299
  183   1HB   SER  27          2HB       SER  27   4.010  11.922  11.922
  184   2HB   SER  27          1HB       SER  27   2.327  12.067  12.067
  185    HG   SER  27           HG       SER  27   4.043  10.385  10.385
  186    H    LYS  28           H        LYS  28   4.050   8.601   8.601
  187    HA   LYS  28           HA       LYS  28   6.589   8.395   8.395
  188   1HB   LYS  28          2HB       LYS  28   5.161   6.695   6.695
  189   2HB   LYS  28          1HB       LYS  28   6.834   6.384   6.384
  190   1HG   LYS  28          2HG       LYS  28   7.022   9.034   9.034
  191   2HG   LYS  28          1HG       LYS  28   5.680   8.649   8.649
  192   1HD   LYS  28          2HD       LYS  28   7.388   6.604   6.604
  193   2HD   LYS  28          1HD       LYS  28   8.558   7.853   7.853
  194   1HE   LYS  28          2HE       LYS  28   6.590   7.818   7.818
  195   2HE   LYS  28          1HE       LYS  28   8.310   8.257   8.257
  196   1HZ   LYS  28          1HZ       LYS  28   6.126   9.826   9.826
  197   2HZ   LYS  28          3HZ       LYS  28   6.892  10.167  10.167
  198   3HZ   LYS  28          2HZ       LYS  28   7.731  10.253  10.253
  199    H    ASP  29           H        ASP  29   7.280   5.690   5.690
  200    HA   ASP  29           HA       ASP  29   5.519   4.676   4.676
  201   1HB   ASP  29          2HB       ASP  29   7.518   3.945   3.945
  202   2HB   ASP  29          1HB       ASP  29   7.509   5.708   5.708
  203    H    VAL  30           H        VAL  30   4.659   2.807   2.807
  204    HA   VAL  30           HA       VAL  30   6.035   1.275   1.275
  205    HB   VAL  30           HB       VAL  30   4.131  -0.178  -0.178
  206   1HG1  VAL  30          1HG1      VAL  30   3.371   2.776   2.776
  207   2HG1  VAL  30          3HG1      VAL  30   2.361   1.473   1.473
  208   3HG1  VAL  30          2HG1      VAL  30   3.928   1.870   1.870
  209   1HG2  VAL  30          1HG2      VAL  30   3.712  -0.205  -0.205
  210   2HG2  VAL  30          3HG2      VAL  30   2.232   0.277   0.277
  211   3HG2  VAL  30          2HG2      VAL  30   3.214   1.498   1.498
  212    H    PHE  31           H        PHE  31   7.311  -0.518  -0.518
  213    HA   PHE  31           HA       PHE  31   8.117  -1.268  -1.268
  214   1HB   PHE  31          2HB       PHE  31   9.962  -2.220  -2.220
  215   2HB   PHE  31          1HB       PHE  31   9.625  -0.882  -0.882
  216    HD1  PHE  31           HD1      PHE  31   8.903  -4.574  -4.574
  217    HD2  PHE  31           HD2      PHE  31   9.436  -1.223  -1.223
  218    HE1  PHE  31           HE1      PHE  31   8.798  -6.111  -6.111
  219    HE2  PHE  31           HE2      PHE  31   9.331  -2.770  -2.770
  220    HZ   PHE  31           HZ       PHE  31   9.012  -5.213  -5.213
  221    H    VAL  32           H        VAL  32   7.480  -3.080  -3.080
  222    HA   VAL  32           HA       VAL  32   6.348  -5.311  -5.311
  223    HB   VAL  32           HB       VAL  32   4.246  -5.276  -5.276
  224   1HG1  VAL  32          1HG1      VAL  32   4.966  -2.310  -2.310
  225   2HG1  VAL  32          3HG1      VAL  32   3.313  -2.969  -2.969
  226   3HG1  VAL  32          2HG1      VAL  32   4.509  -3.284  -3.284
  227   1HG2  VAL  32          1HG2      VAL  32   4.760  -5.253  -5.253
  228   2HG2  VAL  32          3HG2      VAL  32   3.446  -4.100  -4.100
  229   3HG2  VAL  32          2HG2      VAL  32   5.094  -3.510  -3.510
  230    H    HIS  33           H        HIS  33   5.865  -7.209  -7.209
  231    HA   HIS  33           HA       HIS  33   7.868  -7.094  -7.094
  232   1HB   HIS  33          2HB       HIS  33   7.901  -9.624  -9.624
  233   2HB   HIS  33          1HB       HIS  33   8.698  -8.617  -8.617
  234    HD1  HIS  33           HD1      HIS  33   5.343 -10.594 -10.594
  235    HD2  HIS  33           HD2      HIS  33   7.764  -9.132  -9.132
  236    HE1  HIS  33           HE1      HIS  33   4.394 -11.414 -11.414
  237    H    PHE  34           H        PHE  34   7.185  -7.421  -7.421
  238    HA   PHE  34           HA       PHE  34   5.695  -7.780  -7.780
  239   1HB   PHE  34          2HB       PHE  34   4.621  -9.893  -9.893
  240   2HB   PHE  34          1HB       PHE  34   4.255  -9.765  -9.765
  241    HD1  PHE  34           HD1      PHE  34   6.125 -10.052 -10.052
  242    HD2  PHE  34           HD2      PHE  34   6.622 -11.022 -11.022
  243    HE1  PHE  34           HE1      PHE  34   8.092 -11.464 -11.464
  244    HE2  PHE  34           HE2      PHE  34   8.589 -12.432 -12.432
  245    HZ   PHE  34           HZ       PHE  34   9.328 -12.654 -12.654
  246    H    SER  35           H        SER  35   5.052  -5.900  -5.900
  247    HA   SER  35           HA       SER  35   3.378  -4.425  -4.425
  248   1HB   SER  35          2HB       SER  35   2.603  -5.524  -5.524
  249   2HB   SER  35          1HB       SER  35   1.153  -5.338  -5.338
  250    HG   SER  35           HG       SER  35   2.945  -3.200  -3.200
  251    H    ALA  36           H        ALA  36   3.726  -7.184  -7.184
  252    HA   ALA  36           HA       ALA  36   2.528  -8.689  -8.689
  253   1HB   ALA  36          3HB       ALA  36   2.811  -6.609  -6.609
  254   2HB   ALA  36          2HB       ALA  36   1.262  -6.003  -6.003
  255   3HB   ALA  36          1HB       ALA  36   1.293  -7.467  -7.467
  256    H    ILE  37           H        ILE  37   1.310  -8.290  -8.290
  257    HA   ILE  37           HA       ILE  37  -1.420  -7.755  -7.755
  258    HB   ILE  37           HB       ILE  37  -1.620  -9.148  -9.148
  259   1HG1  ILE  37          2HG1      ILE  37   1.333  -9.641  -9.641
  260   2HG1  ILE  37          1HG1      ILE  37   0.352 -10.689 -10.689
  261   1HG2  ILE  37          1HG2      ILE  37   0.760  -7.250  -7.250
  262   2HG2  ILE  37          3HG2      ILE  37  -0.079  -7.803  -7.803
  263   3HG2  ILE  37          2HG2      ILE  37  -0.939  -6.820  -6.820
  264   1HD1  ILE  37          1HD1      ILE  37  -0.121 -10.186 -10.186
  265   2HD1  ILE  37          3HD1      ILE  37   0.602 -11.653 -11.653
  266   3HD1  ILE  37          2HD1      ILE  37  -1.097 -11.250 -11.250
  267    H    GLN  38           H        GLN  38  -3.077  -9.748  -9.748
  268    HA   GLN  38           HA       GLN  38  -2.823 -11.562 -11.562
  269   1HB   GLN  38          2HB       GLN  38  -5.035 -10.002 -10.002
  270   2HB   GLN  38          1HB       GLN  38  -5.459 -11.722 -11.722
  271   1HG   GLN  38          2HG       GLN  38  -5.865 -10.163 -10.163
  272   2HG   GLN  38          1HG       GLN  38  -5.133 -11.759 -11.759
  273   1HE2  GLN  38          1HE2      GLN  38  -3.754  -8.791  -8.791
  274   2HE2  GLN  38          2HE2      GLN  38  -2.492  -8.543  -8.543
  275    H    ASN  39           H        ASN  39  -1.329 -12.176 -12.176
  276    HA   ASN  39           HA       ASN  39  -2.463 -14.780 -14.780
  277   1HB   ASN  39          2HB       ASN  39  -3.017 -12.628 -12.628
  278   2HB   ASN  39          1HB       ASN  39  -1.657 -13.503 -13.503
  279   1HD2  ASN  39          1HD2      ASN  39  -1.857 -15.874 -15.874
  280   2HD2  ASN  39          2HD2      ASN  39  -3.434 -16.575 -16.575
  281    H    ASP  40           H        ASP  40  -0.869 -16.203 -16.203
  282    HA   ASP  40           HA       ASP  40   1.841 -15.487 -15.487
  283   1HB   ASP  40          2HB       ASP  40   2.271 -17.718 -17.718
  284   2HB   ASP  40          1HB       ASP  40   1.457 -17.740 -17.740
  285    H    GLY  41           H        GLY  41   3.188 -14.275 -14.275
  286   1HA   GLY  41          1HA       GLY  41   4.246 -13.399 -13.399
  287   2HA   GLY  41          2HA       GLY  41   3.764 -14.862 -14.862
  288    H    TYR  42           H        TYR  42   1.946 -14.802 -14.802
  289    HA   TYR  42           HA       TYR  42   0.747 -13.497 -13.497
  290   1HB   TYR  42          1HB       TYR  42  -0.572 -13.462 -13.462
  291   2HB   TYR  42          2HB       TYR  42  -1.273 -12.457 -12.457
  292    HD1  TYR  42           HD2      TYR  42  -0.022 -16.007 -16.007
  293    HD2  TYR  42           HD1      TYR  42  -2.986 -13.353 -13.353
  294    HE1  TYR  42           HE2      TYR  42  -1.238 -17.959 -17.959
  295    HE2  TYR  42           HE1      TYR  42  -4.201 -15.306 -15.306
  296    HH   TYR  42           HH       TYR  42  -3.547 -18.577 -18.577
  297    H    LYS  43           H        LYS  43   2.650 -11.995 -11.995
  298    HA   LYS  43           HA       LYS  43   2.839  -9.582  -9.582
  299   1HB   LYS  43          2HB       LYS  43   3.620  -9.723  -9.723
  300   2HB   LYS  43          1HB       LYS  43   4.451  -8.951  -8.951
  301   1HG   LYS  43          2HG       LYS  43   4.302 -11.891 -11.891
  302   2HG   LYS  43          1HG       LYS  43   5.744 -10.887 -10.887
  303   1HD   LYS  43          2HD       LYS  43   4.429 -10.696 -10.696
  304   2HD   LYS  43          1HD       LYS  43   4.086 -12.367 -12.367
  305   1HE   LYS  43          2HE       LYS  43   6.902 -11.367 -11.367
  306   2HE   LYS  43          1HE       LYS  43   6.323 -11.677 -11.677
  307   1HZ   LYS  43          1HZ       LYS  43   6.259 -13.596 -13.596
  308   2HZ   LYS  43          3HZ       LYS  43   7.340 -13.605 -13.605
  309   3HZ   LYS  43          2HZ       LYS  43   5.730 -13.901 -13.901
  310    H    SER  44           H        SER  44   0.827  -8.605  -8.605
  311    HA   SER  44           HA       SER  44  -0.521  -7.639  -7.639
  312   1HB   SER  44          2HB       SER  44  -1.548  -8.896  -8.896
  313   2HB   SER  44          1HB       SER  44  -2.260  -7.286  -7.286
  314    HG   SER  44           HG       SER  44  -3.226  -7.956  -7.956
  315    H    LEU  45           H        LEU  45  -2.195  -5.756  -5.756
  316    HA   LEU  45           HA       LEU  45  -1.978  -3.470  -3.470
  317   1HB   LEU  45          2HB       LEU  45  -0.245  -3.970  -3.970
  318   2HB   LEU  45          1HB       LEU  45  -1.654  -2.906  -2.906
  319    HG   LEU  45           HG       LEU  45  -2.876  -5.233  -5.233
  320   1HD1  LEU  45          1HD1      LEU  45  -0.496  -5.938  -5.938
  321   2HD1  LEU  45          3HD1      LEU  45  -1.963  -6.935  -6.935
  322   3HD1  LEU  45          2HD1      LEU  45  -0.896  -6.641  -6.641
  323   1HD2  LEU  45          1HD2      LEU  45  -3.472  -3.543  -3.543
  324   2HD2  LEU  45          3HD2      LEU  45  -3.452  -5.161  -5.161
  325   3HD2  LEU  45          2HD2      LEU  45  -2.108  -4.037  -4.037
  326    H    ASP  46           H        ASP  46  -0.878  -2.018  -2.018
  327    HA   ASP  46           HA       ASP  46   1.973  -2.480  -2.480
  328   1HB   ASP  46          2HB       ASP  46   1.737  -0.547  -0.547
  329   2HB   ASP  46          1HB       ASP  46   0.519  -1.795  -1.795
  330    H    GLU  47           H        GLU  47   2.523   0.414   0.414
  331    HA   GLU  47           HA       GLU  47   3.054   1.036   1.036
  332   1HB   GLU  47          2HB       GLU  47   4.743   2.635   2.635
  333   2HB   GLU  47          1HB       GLU  47   5.039   0.962   0.962
  334   1HG   GLU  47          2HG       GLU  47   3.499   1.780   1.780
  335   2HG   GLU  47          1HG       GLU  47   4.176   3.350   3.350
  336    H    GLY  48           H        GLY  48   0.834   1.742   1.742
  337   1HA   GLY  48          1HA       GLY  48   0.198   4.243   4.243
  338   2HA   GLY  48          2HA       GLY  48   0.067   4.269   4.269
  339    H    GLN  49           H        GLN  49  -0.963   2.232   2.232
  340    HA   GLN  49           HA       GLN  49  -3.676   2.205   2.205
  341   1HB   GLN  49          2HB       GLN  49  -2.197  -0.247  -0.247
  342   2HB   GLN  49          1HB       GLN  49  -3.921  -0.200  -0.200
  343   1HG   GLN  49          2HG       GLN  49  -2.877   0.819   0.819
  344   2HG   GLN  49          1HG       GLN  49  -1.495  -0.164  -0.164
  345   1HE2  GLN  49          1HE2      GLN  49  -3.626  -1.836  -1.836
  346   2HE2  GLN  49          2HE2      GLN  49  -4.245  -2.944  -2.944
  347    H    LYS  50           H        LYS  50  -5.366   2.236   2.236
  348    HA   LYS  50           HA       LYS  50  -4.456   2.916   2.916
  349   1HB   LYS  50          2HB       LYS  50  -6.063   4.337   4.337
  350   2HB   LYS  50          1HB       LYS  50  -7.287   3.100   3.100
  351   1HG   LYS  50          2HG       LYS  50  -5.940   3.755   3.755
  352   2HG   LYS  50          1HG       LYS  50  -6.387   5.276   5.276
  353   1HD   LYS  50          2HD       LYS  50  -8.488   3.176   3.176
  354   2HD   LYS  50          1HD       LYS  50  -8.060   3.763   3.763
  355   1HE   LYS  50          2HE       LYS  50  -8.444   6.104   6.104
  356   2HE   LYS  50          1HE       LYS  50  -8.900   5.480   5.480
  357   1HZ   LYS  50          1HZ       LYS  50 -10.261   4.869   4.869
  358   2HZ   LYS  50          3HZ       LYS  50 -10.805   5.920   5.920
  359   3HZ   LYS  50          2HZ       LYS  50 -10.706   4.292   4.292
  360    H    VAL  51           H        VAL  51  -4.484   1.474   1.474
  361    HA   VAL  51           HA       VAL  51  -6.513  -0.671  -0.671
  362    HB   VAL  51           HB       VAL  51  -5.109  -2.396  -2.396
  363   1HG1  VAL  51          1HG1      VAL  51  -3.430  -0.301  -0.301
  364   2HG1  VAL  51          3HG1      VAL  51  -3.238  -2.068  -2.068
  365   3HG1  VAL  51          2HG1      VAL  51  -4.734  -1.278  -1.278
  366   1HG2  VAL  51          1HG2      VAL  51  -3.867  -1.772  -1.772
  367   2HG2  VAL  51          3HG2      VAL  51  -2.741  -2.362  -2.362
  368   3HG2  VAL  51          2HG2      VAL  51  -2.882  -0.622  -0.622
  369    H    SER  52           H        SER  52  -6.582  -1.856  -1.856
  370    HA   SER  52           HA       SER  52  -6.160   0.188   0.188
  371   1HB   SER  52          2HB       SER  52  -7.674  -2.033  -2.033
  372   2HB   SER  52          1HB       SER  52  -8.209  -0.361  -0.361
  373    HG   SER  52           HG       SER  52  -8.056  -1.688  -1.688
  374    H    PHE  53           H        PHE  53  -4.465  -0.072  -0.072
  375    HA   PHE  53           HA       PHE  53  -3.253  -2.814  -2.814
  376   1HB   PHE  53          2HB       PHE  53  -1.318  -1.424  -1.424
  377   2HB   PHE  53          1HB       PHE  53  -1.630  -1.359  -1.359
  378    HD1  PHE  53           HD1      PHE  53  -3.952   0.499   0.499
  379    HD2  PHE  53           HD2      PHE  53  -0.289   0.743   0.743
  380    HE1  PHE  53           HE1      PHE  53  -4.073   2.980   2.980
  381    HE2  PHE  53           HE2      PHE  53  -0.418   3.225   3.225
  382    HZ   PHE  53           HZ       PHE  53  -2.309   4.346   4.346
  383    H    THR  54           H        THR  54  -1.837  -2.450  -2.450
  384    HA   THR  54           HA       THR  54  -3.990  -1.975  -1.975
  385    HB   THR  54           HB       THR  54  -3.676  -4.399  -4.399
  386    HG1  THR  54           HG1      THR  54  -3.470  -4.407  -4.407
  387   1HG2  THR  54          2HG2      THR  54  -0.763  -3.556  -3.556
  388   2HG2  THR  54          1HG2      THR  54  -1.168  -5.029  -5.029
  389   3HG2  THR  54          3HG2      THR  54  -1.541  -4.934  -4.934
  390    H    ILE  55           H        ILE  55  -1.939  -0.112  -0.112
  391    HA   ILE  55           HA       ILE  55   0.193   0.723   0.723
  392    HB   ILE  55           HB       ILE  55  -2.264   1.893   1.893
  393   1HG1  ILE  55          2HG1      ILE  55  -0.473   2.977   2.977
  394   2HG1  ILE  55          1HG1      ILE  55  -1.852   1.901   1.901
  395   1HG2  ILE  55          1HG2      ILE  55   0.544   3.066   3.066
  396   2HG2  ILE  55          3HG2      ILE  55  -0.957   3.947   3.947
  397   3HG2  ILE  55          2HG2      ILE  55  -0.458   2.549   2.549
  398   1HD1  ILE  55          1HD1      ILE  55  -1.978   4.633   4.633
  399   2HD1  ILE  55          3HD1      ILE  55  -2.478   4.278   4.278
  400   3HD1  ILE  55          2HD1      ILE  55  -3.367   3.571   3.571
  401    H    GLU  56           H        GLU  56   1.480  -0.739  -0.739
  402    HA   GLU  56           HA       GLU  56   1.121  -0.609  -0.609
  403   1HB   GLU  56          2HB       GLU  56   0.946  -3.001  -3.001
  404   2HB   GLU  56          1HB       GLU  56   2.220  -3.139  -3.139
  405   1HG   GLU  56          2HG       GLU  56   0.188  -2.049  -2.049
  406   2HG   GLU  56          1HG       GLU  56  -0.742  -2.995  -2.995
  407    H    SER  57           H        SER  57   3.234  -1.496  -1.496
  408    HA   SER  57           HA       SER  57   5.525  -0.466  -0.466
  409   1HB   SER  57          2HB       SER  57   6.502   0.411   0.411
  410   2HB   SER  57          1HB       SER  57   4.791   0.876   0.876
  411    HG   SER  57           HG       SER  57   5.855  -0.098  -0.098
  412    H    GLY  58           H        GLY  58   7.420  -1.684  -1.684
  413   1HA   GLY  58          1HA       GLY  58   7.125  -4.500  -4.500
  414   2HA   GLY  58          2HA       GLY  58   8.367  -3.833  -3.833
  415    H    ALA  59           H        ALA  59  10.214  -2.727  -2.727
  416    HA   ALA  59           HA       ALA  59  10.535  -3.019  -3.019
  417   1HB   ALA  59          3HB       ALA  59  11.736  -4.868  -4.868
  418   2HB   ALA  59          2HB       ALA  59  12.585  -3.647  -3.647
  419   3HB   ALA  59          1HB       ALA  59  12.877  -3.737  -3.737
  420    H    LYS  60           H        LYS  60  10.055  -0.711  -0.711
  421    HA   LYS  60           HA       LYS  60  10.952   1.350   1.350
  422   1HB   LYS  60          2HB       LYS  60  13.166   1.681   1.681
  423   2HB   LYS  60          1HB       LYS  60  13.258  -0.042  -0.042
  424   1HG   LYS  60          2HG       LYS  60  14.589   0.957   0.957
  425   2HG   LYS  60          1HG       LYS  60  13.018   0.800   0.800
  426   1HD   LYS  60          2HD       LYS  60  13.009   3.029   3.029
  427   2HD   LYS  60          1HD       LYS  60  12.998   3.284   3.284
  428   1HE   LYS  60          2HE       LYS  60  14.907   4.432   4.432
  429   2HE   LYS  60          1HE       LYS  60  15.440   3.274   3.274
  430   1HZ   LYS  60          1HZ       LYS  60  15.274   2.755   2.755
  431   2HZ   LYS  60          3HZ       LYS  60  16.669   3.050   3.050
  432   3HZ   LYS  60          2HZ       LYS  60  15.789   1.669   1.669
  433    H    GLY  61           H        GLY  61  10.904  -0.149  -0.149
  434   1HA   GLY  61          1HA       GLY  61  10.164   2.493   2.493
  435   2HA   GLY  61          2HA       GLY  61  10.824   1.106   1.106
  436    HA   PRO  62           HA       PRO  62   6.142   0.992   0.992
  437   1HB   PRO  62          2HB       PRO  62   5.764   1.720   1.720
  438   2HB   PRO  62          1HB       PRO  62   5.649   2.852   2.852
  439   1HG   PRO  62          2HG       PRO  62   7.759   2.546   2.546
  440   2HG   PRO  62          1HG       PRO  62   7.416   3.903   3.903
  441   1HD   PRO  62          2HD       PRO  62   9.506   1.962   1.962
  442   2HD   PRO  62          1HD       PRO  62   9.084   3.261   3.261
  443    H    ALA  63           H        ALA  63   4.715  -0.176  -0.176
  444    HA   ALA  63           HA       ALA  63   5.955  -2.150  -2.150
  445   1HB   ALA  63          3HB       ALA  63   6.800  -3.033  -3.033
  446   2HB   ALA  63          2HB       ALA  63   5.127  -3.122  -3.122
  447   3HB   ALA  63          1HB       ALA  63   5.641  -4.156  -4.156
  448    H    ALA  64           H        ALA  64   4.366  -3.843  -3.843
  449    HA   ALA  64           HA       ALA  64   1.535  -2.932  -2.932
  450   1HB   ALA  64          3HB       ALA  64   2.388  -2.526  -2.526
  451   2HB   ALA  64          2HB       ALA  64   2.803  -4.247  -4.247
  452   3HB   ALA  64          1HB       ALA  64   1.103  -3.762  -3.762
  453    H    GLY  65           H        GLY  65   0.641  -5.231  -5.231
  454   1HA   GLY  65          1HA       GLY  65   1.095  -7.730  -7.730
  455   2HA   GLY  65          2HA       GLY  65   1.023  -7.377  -7.377
  456    H    ASN  66           H        ASN  66  -0.788  -7.751  -7.751
  457    HA   ASN  66           HA       ASN  66  -3.021  -8.598  -8.598
  458   1HB   ASN  66          2HB       ASN  66  -3.131  -7.043  -7.043
  459   2HB   ASN  66          1HB       ASN  66  -4.609  -7.571  -7.571
  460   1HD2  ASN  66          1HD2      ASN  66  -3.265  -8.275  -8.275
  461   2HD2  ASN  66          2HD2      ASN  66  -3.138 -10.037 -10.037
  462    H    VAL  67           H        VAL  67  -2.425  -7.078  -7.078
  463    HA   VAL  67           HA       VAL  67  -4.010  -4.571  -4.571
  464    HB   VAL  67           HB       VAL  67  -2.560  -4.178  -4.178
  465   1HG1  VAL  67          1HG1      VAL  67  -1.683  -3.607  -3.607
  466   2HG1  VAL  67          3HG1      VAL  67  -1.049  -2.790  -2.790
  467   3HG1  VAL  67          2HG1      VAL  67  -2.754  -2.604  -2.604
  468   1HG2  VAL  67          1HG2      VAL  67  -1.299  -6.280  -6.280
  469   2HG2  VAL  67          3HG2      VAL  67  -0.213  -4.885  -4.885
  470   3HG2  VAL  67          2HG2      VAL  67  -0.774  -5.843  -5.843
  471    H    THR  68           H        THR  68  -5.759  -4.282  -4.282
  472    HA   THR  68           HA       THR  68  -6.212  -6.415  -6.415
  473    HB   THR  68           HB       THR  68  -8.029  -6.836  -6.836
  474    HG1  THR  68           HG1      THR  68  -9.574  -4.922  -4.922
  475   1HG2  THR  68          2HG2      THR  68  -7.469  -3.997  -3.997
  476   2HG2  THR  68          1HG2      THR  68  -9.129  -4.599  -4.599
  477   3HG2  THR  68          3HG2      THR  68  -7.804  -5.433  -5.433
  478    H    SER  69           H        SER  69  -6.088  -5.712  -5.712
  479    HA   SER  69           HA       SER  69  -5.650  -3.061  -3.061
  480   1HB   SER  69          2HB       SER  69  -5.888  -3.741  -3.741
  481   2HB   SER  69          1HB       SER  69  -5.383  -5.217  -5.217
  482    HG   SER  69           HG       SER  69  -7.467  -5.984  -5.984
  483    H    LEU  70           H        LEU  70  -6.968  -1.393  -1.393
  484    HA   LEU  70           HA       LEU  70  -9.827  -1.746  -1.746
  485   1HB   LEU  70          2HB       LEU  70 -10.490  -1.013  -1.013
  486   2HB   LEU  70          1HB       LEU  70  -8.809  -1.176  -1.176
  487    HG   LEU  70           HG       LEU  70  -8.537   1.216   1.216
  488   1HD1  LEU  70          1HD1      LEU  70 -11.567   1.142   1.142
  489   2HD1  LEU  70          3HD1      LEU  70 -10.589   2.623   2.623
  490   3HD1  LEU  70          2HD1      LEU  70 -10.653   1.420   1.420
  491   1HD2  LEU  70          1HD2      LEU  70  -8.398   0.666   0.666
  492   2HD2  LEU  70          3HD2      LEU  70  -9.287   2.199   2.199
  493   3HD2  LEU  70          2HD2      LEU  70 -10.167   0.701   0.701

  Start of MODEL   14
    1    H    SER   2           H        SER   2 -11.124   4.259   4.259
    2    HA   SER   2           HA       SER   2  -9.020   3.364   3.364
    3   1HB   SER   2          2HB       SER   2 -10.657   3.299   3.299
    4   2HB   SER   2          1HB       SER   2 -10.646   1.596   1.596
    5    HG   SER   2           HG       SER   2  -8.749   2.968   2.968
    6    H    GLY   3           H        GLY   3  -9.288   0.515   0.515
    7   1HA   GLY   3          1HA       GLY   3  -9.778  -1.502  -1.502
    8   2HA   GLY   3          2HA       GLY   3 -10.986  -0.679  -0.679
    9    H    LYS   4           H        LYS   4 -10.510  -0.575  -0.575
   10    HA   LYS   4           HA       LYS   4  -7.762  -1.149  -1.149
   11   1HB   LYS   4          2HB       LYS   4 -10.438  -1.260  -1.260
   12   2HB   LYS   4          1HB       LYS   4  -9.081  -0.871  -0.871
   13   1HG   LYS   4          2HG       LYS   4  -8.557  -3.064  -3.064
   14   2HG   LYS   4          1HG       LYS   4  -8.194  -2.981  -2.981
   15   1HD   LYS   4          2HD       LYS   4 -11.082  -3.151  -3.151
   16   2HD   LYS   4          1HD       LYS   4 -10.126  -4.580  -4.580
   17   1HE   LYS   4          2HE       LYS   4 -10.046  -5.234  -5.234
   18   2HE   LYS   4          1HE       LYS   4  -9.385  -3.662  -3.662
   19   1HZ   LYS   4          1HZ       LYS   4 -12.245  -4.282  -4.282
   20   2HZ   LYS   4          3HZ       LYS   4 -11.478  -4.128  -4.128
   21   3HZ   LYS   4          2HZ       LYS   4 -11.636  -2.812  -2.812
   22    H    MET   5           H        MET   5  -6.741   0.197   0.197
   23    HA   MET   5           HA       MET   5  -7.575   3.048   3.048
   24   1HB   MET   5          2HB       MET   5  -4.835   3.238   3.238
   25   2HB   MET   5          1HB       MET   5  -5.853   3.425   3.425
   26   1HG   MET   5          2HG       MET   5  -4.929   0.671   0.671
   27   2HG   MET   5          1HG       MET   5  -3.818   1.733   1.733
   28   1HE   MET   5          1HE       MET   5  -5.572   3.396   3.396
   29   2HE   MET   5          3HE       MET   5  -5.649   2.340   2.340
   30   3HE   MET   5          2HE       MET   5  -4.130   2.508   2.508
   31    H    THR   6           H        THR   6  -7.081   4.233   4.233
   32    HA   THR   6           HA       THR   6  -6.580   2.565   2.565
   33    HB   THR   6           HB       THR   6  -7.273   4.608   4.608
   34    HG1  THR   6           HG1      THR   6  -6.940   6.477   6.477
   35   1HG2  THR   6          2HG2      THR   6  -8.746   3.895   3.895
   36   2HG2  THR   6          1HG2      THR   6  -9.204   5.402   5.402
   37   3HG2  THR   6          3HG2      THR   6  -9.355   3.857   3.857
   38    H    GLY   7           H        GLY   7  -4.930   3.141   3.141
   39   1HA   GLY   7          1HA       GLY   7  -2.788   4.924   4.924
   40   2HA   GLY   7          2HA       GLY   7  -2.322   3.374   3.374
   41    H    ILE   8           H        ILE   8  -1.792   5.103   5.103
   42    HA   ILE   8           HA       ILE   8  -2.362   2.999   2.999
   43    HB   ILE   8           HB       ILE   8  -2.168   4.514   4.514
   44   1HG1  ILE   8          2HG1      ILE   8  -0.079   6.038   6.038
   45   2HG1  ILE   8          1HG1      ILE   8   0.251   4.870   4.870
   46   1HG2  ILE   8          1HG2      ILE   8  -2.551   6.316   6.316
   47   2HG2  ILE   8          3HG2      ILE   8  -2.930   6.766   6.766
   48   3HG2  ILE   8          2HG2      ILE   8  -3.816   5.448   5.448
   49   1HD1  ILE   8          1HD1      ILE   8  -1.295   7.494   7.494
   50   2HD1  ILE   8          3HD1      ILE   8   0.386   7.200   7.200
   51   3HD1  ILE   8          2HD1      ILE   8  -0.955   6.343   6.343
   52    H    VAL   9           H        VAL   9  -0.757   1.832   1.832
   53    HA   VAL   9           HA       VAL   9   1.725   1.519   1.519
   54    HB   VAL   9           HB       VAL   9   0.204  -0.310  -0.310
   55   1HG1  VAL   9          1HG1      VAL   9   1.709   0.311   0.311
   56   2HG1  VAL   9          3HG1      VAL   9   0.733  -1.153  -1.153
   57   3HG1  VAL   9          2HG1      VAL   9  -0.042   0.444   0.444
   58   1HG2  VAL   9          1HG2      VAL   9   2.405  -0.755  -0.755
   59   2HG2  VAL   9          3HG2      VAL   9   2.125  -1.849  -1.849
   60   3HG2  VAL   9          2HG2      VAL   9   3.201  -0.448  -0.448
   61    H    LYS  10           H        LYS  10   3.843   1.799   1.799
   62    HA   LYS  10           HA       LYS  10   3.880   3.447   3.447
   63   1HB   LYS  10          2HB       LYS  10   5.418   3.736   3.736
   64   2HB   LYS  10          1HB       LYS  10   6.022   4.430   4.430
   65   1HG   LYS  10          2HG       LYS  10   3.464   5.312   5.312
   66   2HG   LYS  10          1HG       LYS  10   3.641   5.182   5.182
   67   1HD   LYS  10          2HD       LYS  10   4.883   7.069   7.069
   68   2HD   LYS  10          1HD       LYS  10   5.999   6.421   6.421
   69   1HE   LYS  10          2HE       LYS  10   4.119   7.053   7.053
   70   2HE   LYS  10          1HE       LYS  10   3.471   8.052   8.052
   71   1HZ   LYS  10          1HZ       LYS  10   6.203   8.217   8.217
   72   2HZ   LYS  10          3HZ       LYS  10   4.950   9.278   9.278
   73   3HZ   LYS  10          2HZ       LYS  10   5.601   9.169   9.169
   74    H    TRP  11           H        TRP  11   5.434   0.887   0.887
   75    HA   TRP  11           HA       TRP  11   6.553  -0.220  -0.220
   76   1HB   TRP  11          2HB       TRP  11   8.560  -0.035  -0.035
   77   2HB   TRP  11          1HB       TRP  11   8.747   0.030   0.030
   78    HD1  TRP  11           HD1      TRP  11   8.334   2.385   2.385
   79    HE1  TRP  11           HE1      TRP  11   8.569   4.727   4.727
   80    HE3  TRP  11           HE3      TRP  11   8.333   1.632   1.632
   81    HZ2  TRP  11           HZ2      TRP  11   8.752   6.272   6.272
   82    HZ3  TRP  11           HZ3      TRP  11   8.547   3.667   3.667
   83    HH2  TRP  11           HH2      TRP  11   8.749   5.884   5.884
   84    H    PHE  12           H        PHE  12   6.968  -2.480  -2.480
   85    HA   PHE  12           HA       PHE  12   7.108  -4.030  -4.030
   86   1HB   PHE  12          2HB       PHE  12   5.079  -4.082  -4.082
   87   2HB   PHE  12          1HB       PHE  12   4.564  -2.838  -2.838
   88    HD1  PHE  12           HD2      PHE  12   4.248  -3.954  -3.954
   89    HD2  PHE  12           HD1      PHE  12   3.571  -5.891  -5.891
   90    HE1  PHE  12           HE2      PHE  12   2.665  -5.536  -5.536
   91    HE2  PHE  12           HE1      PHE  12   1.991  -7.468  -7.468
   92    HZ   PHE  12           HZ       PHE  12   1.532  -7.294  -7.294
   93    H    ASN  13           H        ASN  13   7.036  -6.302  -6.302
   94    HA   ASN  13           HA       ASN  13   7.004  -8.172  -8.172
   95   1HB   ASN  13          2HB       ASN  13   5.107  -6.624  -6.624
   96   2HB   ASN  13          1HB       ASN  13   6.347  -6.770  -6.770
   97   1HD2  ASN  13          1HD2      ASN  13   3.819  -7.816  -7.816
   98   2HD2  ASN  13          2HD2      ASN  13   3.881  -9.581  -9.581
   99    H    ALA  14           H        ALA  14   7.877  -8.612  -8.612
  100    HA   ALA  14           HA       ALA  14   9.943  -8.840  -8.840
  101   1HB   ALA  14          3HB       ALA  14   9.075  -6.656  -6.656
  102   2HB   ALA  14          2HB       ALA  14   9.887  -5.794  -5.794
  103   3HB   ALA  14          1HB       ALA  14  10.857  -6.665  -6.665
  104    H    ASP  15           H        ASP  15   9.832  -8.513  -8.513
  105    HA   ASP  15           HA       ASP  15  11.380  -8.567  -8.567
  106   1HB   ASP  15          2HB       ASP  15  13.672  -8.416  -8.416
  107   2HB   ASP  15          1HB       ASP  15  13.502  -9.367  -9.367
  108    H    LYS  16           H        LYS  16  11.407  -6.183  -6.183
  109    HA   LYS  16           HA       LYS  16  13.447  -4.475  -4.475
  110   1HB   LYS  16          2HB       LYS  16  12.346  -2.784  -2.784
  111   2HB   LYS  16          1HB       LYS  16  11.856  -4.304  -4.304
  112   1HG   LYS  16          2HG       LYS  16   9.698  -3.757  -3.757
  113   2HG   LYS  16          1HG       LYS  16   9.998  -3.788  -3.788
  114   1HD   LYS  16          2HD       LYS  16   9.052  -1.604  -1.604
  115   2HD   LYS  16          1HD       LYS  16  10.480  -1.454  -1.454
  116   1HE   LYS  16          2HE       LYS  16  11.848  -0.836  -0.836
  117   2HE   LYS  16          1HE       LYS  16  10.980  -1.851  -1.851
  118   1HZ   LYS  16          1HZ       LYS  16  10.013   0.704   0.704
  119   2HZ   LYS  16          3HZ       LYS  16  10.641   0.478   0.478
  120   3HZ   LYS  16          2HZ       LYS  16   9.201  -0.233  -0.233
  121    H    GLY  17           H        GLY  17  10.543  -5.361  -5.361
  122   1HA   GLY  17          1HA       GLY  17  11.395  -4.070  -4.070
  123   2HA   GLY  17          2HA       GLY  17  10.108  -3.115  -3.115
  124    H    PHE  18           H        PHE  18   9.286  -5.935  -5.935
  125    HA   PHE  18           HA       PHE  18   7.746  -7.616  -7.616
  126   1HB   PHE  18          2HB       PHE  18   9.173  -7.223  -7.223
  127   2HB   PHE  18          1HB       PHE  18   7.749  -8.246  -8.246
  128    HD1  PHE  18           HD1      PHE  18   8.003  -9.626  -9.626
  129    HD2  PHE  18           HD2      PHE  18  11.019  -8.680  -8.680
  130    HE1  PHE  18           HE1      PHE  18   9.379 -11.540 -11.540
  131    HE2  PHE  18           HE2      PHE  18  12.388 -10.597 -10.597
  132    HZ   PHE  18           HZ       PHE  18  11.572 -12.028 -12.028
  133    H    GLY  19           H        GLY  19   7.580  -5.843  -5.843
  134   1HA   GLY  19          1HA       GLY  19   4.828  -4.932  -4.932
  135   2HA   GLY  19          2HA       GLY  19   5.207  -5.606  -5.606
  136    H    PHE  20           H        PHE  20   4.874  -2.756  -2.756
  137    HA   PHE  20           HA       PHE  20   6.081  -1.124  -1.124
  138   1HB   PHE  20          2HB       PHE  20   7.475  -1.650  -1.650
  139   2HB   PHE  20          1HB       PHE  20   6.885   0.000   0.000
  140    HD1  PHE  20           HD1      PHE  20   9.095  -2.325  -2.325
  141    HD2  PHE  20           HD2      PHE  20   7.727   1.754   1.754
  142    HE1  PHE  20           HE1      PHE  20  10.953  -1.544  -1.544
  143    HE2  PHE  20           HE2      PHE  20   9.590   2.526   2.526
  144    HZ   PHE  20           HZ       PHE  20  11.205   0.881   0.881
  145    H    ILE  21           H        ILE  21   4.248  -0.030  -0.030
  146    HA   ILE  21           HA       ILE  21   2.816   1.291   1.291
  147    HB   ILE  21           HB       ILE  21   1.637   0.152   0.152
  148   1HG1  ILE  21          2HG1      ILE  21   0.852  -0.760  -0.760
  149   2HG1  ILE  21          1HG1      ILE  21   2.391  -1.326  -1.326
  150   1HG2  ILE  21          1HG2      ILE  21   0.289   1.604   1.604
  151   2HG2  ILE  21          3HG2      ILE  21  -0.565   0.756   0.756
  152   3HG2  ILE  21          2HG2      ILE  21   0.439   2.174   2.174
  153   1HD1  ILE  21          1HD1      ILE  21  -0.355  -1.604  -1.604
  154   2HD1  ILE  21          3HD1      ILE  21   0.551  -2.904  -2.904
  155   3HD1  ILE  21          2HD1      ILE  21   1.179  -2.189  -2.189
  156    H    THR  22           H        THR  22   1.703   3.358   3.358
  157    HA   THR  22           HA       THR  22   3.064   4.631   4.631
  158    HB   THR  22           HB       THR  22   3.266   5.363   5.363
  159    HG1  THR  22           HG1      THR  22   4.678   6.231   6.231
  160   1HG2  THR  22          2HG2      THR  22   2.406   7.280   7.280
  161   2HG2  THR  22          1HG2      THR  22   3.742   7.784   7.784
  162   3HG2  THR  22          3HG2      THR  22   2.154   7.424   7.424
  163    HA   PRO  23           HA       PRO  23  -1.093   5.745   5.745
  164   1HB   PRO  23          2HB       PRO  23  -0.479   7.585   7.585
  165   2HB   PRO  23          1HB       PRO  23  -0.552   5.826   5.826
  166   1HG   PRO  23          2HG       PRO  23   1.778   7.616   7.616
  167   2HG   PRO  23          1HG       PRO  23   1.647   5.962   5.962
  168   1HD   PRO  23          2HD       PRO  23   2.807   6.787   6.787
  169   2HD   PRO  23          1HD       PRO  23   2.572   5.133   5.133
  170    H    ASP  24           H        ASP  24  -2.311   7.998   7.998
  171    HA   ASP  24           HA       ASP  24  -2.637   9.424   9.424
  172   1HB   ASP  24          2HB       ASP  24  -2.709  10.385  10.385
  173   2HB   ASP  24          1HB       ASP  24  -3.198  11.410  11.410
  174    H    ASP  25           H        ASP  25  -0.064   9.834   9.834
  175    HA   ASP  25           HA       ASP  25   1.811  10.934  10.934
  176   1HB   ASP  25          2HB       ASP  25   1.826  13.303  13.303
  177   2HB   ASP  25          1HB       ASP  25   0.579  12.922  12.922
  178    H    GLY  26           H        GLY  26   1.680  12.996  12.996
  179   1HA   GLY  26          1HA       GLY  26   2.829  13.013  13.013
  180   2HA   GLY  26          2HA       GLY  26   2.558  11.262  11.262
  181    H    SER  27           H        SER  27   4.071   9.832   9.832
  182    HA   SER  27           HA       SER  27   6.284  10.452  10.452
  183   1HB   SER  27          2HB       SER  27   6.634  11.384  11.384
  184   2HB   SER  27          1HB       SER  27   7.954  10.368  10.368
  185    HG   SER  27           HG       SER  27   7.840  11.885  11.885
  186    H    LYS  28           H        LYS  28   8.187   8.806   8.806
  187    HA   LYS  28           HA       LYS  28   8.829   6.664   6.664
  188   1HB   LYS  28          2HB       LYS  28   6.947   6.815   6.815
  189   2HB   LYS  28          1HB       LYS  28   7.809   5.319   5.319
  190   1HG   LYS  28          2HG       LYS  28   9.206   6.435   6.435
  191   2HG   LYS  28          1HG       LYS  28   9.950   6.759   6.759
  192   1HD   LYS  28          2HD       LYS  28   9.357   8.999   8.999
  193   2HD   LYS  28          1HD       LYS  28   7.892   8.701   8.701
  194   1HE   LYS  28          2HE       LYS  28   9.618   8.064   8.064
  195   2HE   LYS  28          1HE       LYS  28  10.761   8.995   8.995
  196   1HZ   LYS  28          1HZ       LYS  28   8.170   9.973   9.973
  197   2HZ   LYS  28          3HZ       LYS  28   9.678  10.351  10.351
  198   3HZ   LYS  28          2HZ       LYS  28   9.241  10.858  10.858
  199    H    ASP  29           H        ASP  29   7.642   4.219   4.219
  200    HA   ASP  29           HA       ASP  29   5.073   4.130   4.130
  201   1HB   ASP  29          2HB       ASP  29   6.742   2.482   2.482
  202   2HB   ASP  29          1HB       ASP  29   5.796   3.895   3.895
  203    H    VAL  30           H        VAL  30   4.026   2.319   2.319
  204    HA   VAL  30           HA       VAL  30   5.403   0.498   0.498
  205    HB   VAL  30           HB       VAL  30   3.164  -0.729  -0.729
  206   1HG1  VAL  30          1HG1      VAL  30   3.329   2.109   2.109
  207   2HG1  VAL  30          3HG1      VAL  30   2.090   0.901   0.901
  208   3HG1  VAL  30          2HG1      VAL  30   3.797   0.617   0.617
  209   1HG2  VAL  30          1HG2      VAL  30   2.390   0.297   0.297
  210   2HG2  VAL  30          3HG2      VAL  30   1.278   0.709   0.709
  211   3HG2  VAL  30          2HG2      VAL  30   2.444   1.909   1.909
  212    H    PHE  31           H        PHE  31   6.632  -1.210  -1.210
  213    HA   PHE  31           HA       PHE  31   6.606  -2.179  -2.179
  214   1HB   PHE  31          2HB       PHE  31   8.248  -3.604  -3.604
  215   2HB   PHE  31          1HB       PHE  31   8.689  -2.854  -2.854
  216    HD1  PHE  31           HD1      PHE  31   8.649  -0.129  -0.129
  217    HD2  PHE  31           HD2      PHE  31   9.220  -2.703  -2.703
  218    HE1  PHE  31           HE1      PHE  31   9.790   1.720   1.720
  219    HE2  PHE  31           HE2      PHE  31  10.362  -0.846  -0.846
  220    HZ   PHE  31           HZ       PHE  31  10.646   1.367   1.367
  221    H    VAL  32           H        VAL  32   6.496  -4.532  -4.532
  222    HA   VAL  32           HA       VAL  32   5.258  -6.239  -6.239
  223    HB   VAL  32           HB       VAL  32   3.202  -5.594  -5.594
  224   1HG1  VAL  32          1HG1      VAL  32   4.040  -4.393  -4.393
  225   2HG1  VAL  32          3HG1      VAL  32   2.426  -4.226  -4.226
  226   3HG1  VAL  32          2HG1      VAL  32   3.851  -3.524  -3.524
  227   1HG2  VAL  32          1HG2      VAL  32   3.191  -7.766  -7.766
  228   2HG2  VAL  32          3HG2      VAL  32   2.039  -6.650  -6.650
  229   3HG2  VAL  32          2HG2      VAL  32   3.610  -6.982  -6.982
  230    H    HIS  33           H        HIS  33   4.656  -8.442  -8.442
  231    HA   HIS  33           HA       HIS  33   6.268  -8.877  -8.877
  232   1HB   HIS  33          2HB       HIS  33   7.744  -9.227  -9.227
  233   2HB   HIS  33          1HB       HIS  33   6.660 -10.529 -10.529
  234    HD1  HIS  33           HD1      HIS  33   8.190  -9.792  -9.792
  235    HD2  HIS  33           HD2      HIS  33   8.079 -12.915 -12.915
  236    HE1  HIS  33           HE1      HIS  33   9.322 -11.651 -11.651
  237    H    PHE  34           H        PHE  34   5.586 -10.684 -10.684
  238    HA   PHE  34           HA       PHE  34   2.894 -11.310 -11.310
  239   1HB   PHE  34          2HB       PHE  34   5.371 -12.896 -12.896
  240   2HB   PHE  34          1HB       PHE  34   3.767 -13.557 -13.557
  241    HD1  PHE  34           HD2      PHE  34   2.209 -11.195 -11.195
  242    HD2  PHE  34           HD1      PHE  34   6.233 -12.439 -12.439
  243    HE1  PHE  34           HE2      PHE  34   2.048 -10.016 -10.016
  244    HE2  PHE  34           HE1      PHE  34   6.063 -11.257 -11.257
  245    HZ   PHE  34           HZ       PHE  34   3.973 -10.045 -10.045
  246    H    SER  35           H        SER  35   1.627 -13.206 -13.206
  247    HA   SER  35           HA       SER  35   1.173 -15.049 -15.049
  248   1HB   SER  35          2HB       SER  35   3.748 -15.108 -15.108
  249   2HB   SER  35          1HB       SER  35   3.293 -14.263 -14.263
  250    HG   SER  35           HG       SER  35   1.619 -16.279 -16.279
  251    H    ALA  36           H        ALA  36   1.551 -11.718 -11.718
  252    HA   ALA  36           HA       ALA  36  -0.536 -11.927 -11.927
  253   1HB   ALA  36          3HB       ALA  36   1.713 -11.191 -11.191
  254   2HB   ALA  36          2HB       ALA  36   1.735  -9.882  -9.882
  255   3HB   ALA  36          1HB       ALA  36   0.506  -9.879  -9.879
  256    H    ILE  37           H        ILE  37  -0.282 -11.402 -11.402
  257    HA   ILE  37           HA       ILE  37  -1.555  -8.740  -8.740
  258    HB   ILE  37           HB       ILE  37   0.298  -9.012  -9.012
  259   1HG1  ILE  37          2HG1      ILE  37  -2.140  -7.945  -7.945
  260   2HG1  ILE  37          1HG1      ILE  37  -0.630  -7.696  -7.696
  261   1HG2  ILE  37          1HG2      ILE  37  -1.265 -11.264 -11.264
  262   2HG2  ILE  37          3HG2      ILE  37   0.241 -10.544 -10.544
  263   3HG2  ILE  37          2HG2      ILE  37   0.249 -11.411 -11.411
  264   1HD1  ILE  37          1HD1      ILE  37  -2.691  -9.891  -9.891
  265   2HD1  ILE  37          3HD1      ILE  37  -2.464  -8.402  -8.402
  266   3HD1  ILE  37          2HD1      ILE  37  -1.192  -9.638  -9.638
  267    H    GLN  38           H        GLN  38  -3.319  -8.690  -8.690
  268    HA   GLN  38           HA       GLN  38  -5.154 -10.950 -10.950
  269   1HB   GLN  38          2HB       GLN  38  -5.543  -8.084  -8.084
  270   2HB   GLN  38          1HB       GLN  38  -6.710  -8.765  -8.765
  271   1HG   GLN  38          2HG       GLN  38  -7.484  -8.761  -8.761
  272   2HG   GLN  38          1HG       GLN  38  -7.491 -10.362 -10.362
  273   1HE2  GLN  38          1HE2      GLN  38  -4.549  -8.691  -8.691
  274   2HE2  GLN  38          2HE2      GLN  38  -4.076  -9.716  -9.716
  275    H    ASN  39           H        ASN  39  -4.853 -12.265 -12.265
  276    HA   ASN  39           HA       ASN  39  -6.060 -11.609 -11.609
  277   1HB   ASN  39          2HB       ASN  39  -4.068 -11.469 -11.469
  278   2HB   ASN  39          1HB       ASN  39  -4.135 -10.089 -10.089
  279   1HD2  ASN  39          1HD2      ASN  39  -1.804 -10.584 -10.584
  280   2HD2  ASN  39          2HD2      ASN  39  -0.631 -11.301 -11.301
  281    H    ASP  40           H        ASP  40  -5.786 -13.364 -13.364
  282    HA   ASP  40           HA       ASP  40  -4.356 -15.756 -15.756
  283   1HB   ASP  40          2HB       ASP  40  -6.443 -17.076 -17.076
  284   2HB   ASP  40          1HB       ASP  40  -6.460 -16.277 -16.277
  285    H    GLY  41           H        GLY  41  -3.175 -16.566 -16.566
  286   1HA   GLY  41          1HA       GLY  41  -2.782 -17.382 -17.382
  287   2HA   GLY  41          2HA       GLY  41  -4.324 -16.696 -16.696
  288    H    TYR  42           H        TYR  42  -1.432 -16.514 -16.514
  289    HA   TYR  42           HA       TYR  42   0.112 -14.803 -14.803
  290   1HB   TYR  42          1HB       TYR  42  -2.039 -14.889 -14.889
  291   2HB   TYR  42          2HB       TYR  42  -2.284 -13.271 -13.271
  292    HD1  TYR  42           HD2      TYR  42   1.036 -13.171 -13.171
  293    HD2  TYR  42           HD1      TYR  42  -1.858 -13.629 -13.629
  294    HE1  TYR  42           HE2      TYR  42   2.669 -12.244 -12.244
  295    HE2  TYR  42           HE1      TYR  42  -0.224 -12.701 -12.701
  296    HH   TYR  42           HH       TYR  42   2.878 -11.304 -11.304
  297    H    LYS  43           H        LYS  43   0.159 -14.450 -14.450
  298    HA   LYS  43           HA       LYS  43  -1.148 -12.054 -12.054
  299   1HB   LYS  43          2HB       LYS  43   0.766 -12.492 -12.492
  300   2HB   LYS  43          1HB       LYS  43  -0.809 -13.308 -13.308
  301   1HG   LYS  43          2HG       LYS  43   1.030 -14.935 -14.935
  302   2HG   LYS  43          1HG       LYS  43   0.202 -15.178 -15.178
  303   1HD   LYS  43          2HD       LYS  43   1.988 -14.118 -14.118
  304   2HD   LYS  43          1HD       LYS  43   2.709 -13.477 -13.477
  305   1HE   LYS  43          2HE       LYS  43   2.759 -16.132 -16.132
  306   2HE   LYS  43          1HE       LYS  43   2.856 -16.221 -16.221
  307   1HZ   LYS  43          1HZ       LYS  43   4.637 -14.643 -14.643
  308   2HZ   LYS  43          3HZ       LYS  43   5.015 -16.092 -16.092
  309   3HZ   LYS  43          2HZ       LYS  43   4.745 -14.734 -14.734
  310    H    SER  44           H        SER  44  -0.632 -10.130 -10.130
  311    HA   SER  44           HA       SER  44   1.975  -9.040  -9.040
  312   1HB   SER  44          2HB       SER  44   1.714  -8.806  -8.806
  313   2HB   SER  44          1HB       SER  44   3.051  -9.496  -9.496
  314    HG   SER  44           HG       SER  44   1.064 -10.747 -10.747
  315    H    LEU  45           H        LEU  45   1.728  -6.859  -6.859
  316    HA   LEU  45           HA       LEU  45  -0.827  -5.771  -5.771
  317   1HB   LEU  45          2HB       LEU  45   0.090  -5.728  -5.728
  318   2HB   LEU  45          1HB       LEU  45   0.900  -4.266  -4.266
  319    HG   LEU  45           HG       LEU  45  -1.259  -3.347  -3.347
  320   1HD1  LEU  45          1HD1      LEU  45  -2.452  -5.842  -5.842
  321   2HD1  LEU  45          3HD1      LEU  45  -3.381  -4.406  -4.406
  322   3HD1  LEU  45          2HD1      LEU  45  -2.517  -5.386  -5.386
  323   1HD2  LEU  45          1HD2      LEU  45  -0.378  -2.775  -2.775
  324   2HD2  LEU  45          3HD2      LEU  45  -2.158  -2.895  -2.895
  325   3HD2  LEU  45          2HD2      LEU  45  -1.148  -4.208  -4.208
  326    H    ASP  46           H        ASP  46  -0.589  -3.238  -3.238
  327    HA   ASP  46           HA       ASP  46   1.638  -3.061  -3.061
  328   1HB   ASP  46          2HB       ASP  46  -1.129  -1.933  -1.933
  329   2HB   ASP  46          1HB       ASP  46   0.106  -0.964  -0.964
  330    H    GLU  47           H        GLU  47   3.313  -1.722  -1.722
  331    HA   GLU  47           HA       GLU  47   3.571  -0.314  -0.314
  332   1HB   GLU  47          2HB       GLU  47   4.996  -0.370  -0.370
  333   2HB   GLU  47          1HB       GLU  47   5.217   1.118   1.118
  334   1HG   GLU  47          2HG       GLU  47   6.263  -0.004  -0.004
  335   2HG   GLU  47          1HG       GLU  47   5.455  -1.543  -1.543
  336    H    GLY  48           H        GLY  48   2.191   1.221   1.221
  337   1HA   GLY  48          1HA       GLY  48   1.566   3.542   3.542
  338   2HA   GLY  48          2HA       GLY  48   1.650   3.546   3.546
  339    H    GLN  49           H        GLN  49  -0.211   2.471   2.471
  340    HA   GLN  49           HA       GLN  49  -2.672   2.744   2.744
  341   1HB   GLN  49          2HB       GLN  49  -2.260   0.524   0.524
  342   2HB   GLN  49          1HB       GLN  49  -1.723  -0.015  -0.015
  343   1HG   GLN  49          2HG       GLN  49  -3.950   0.081   0.081
  344   2HG   GLN  49          1HG       GLN  49  -4.531   1.032   1.032
  345   1HE2  GLN  49          1HE2      GLN  49  -5.736  -1.314  -1.314
  346   2HE2  GLN  49          2HE2      GLN  49  -5.608  -2.579  -2.579
  347    H    LYS  50           H        LYS  50  -4.607   2.366   2.366
  348    HA   LYS  50           HA       LYS  50  -3.843   3.266   3.266
  349   1HB   LYS  50          2HB       LYS  50  -5.623   4.342   4.342
  350   2HB   LYS  50          1HB       LYS  50  -6.682   3.060   3.060
  351   1HG   LYS  50          2HG       LYS  50  -5.486   4.014   4.014
  352   2HG   LYS  50          1HG       LYS  50  -5.634   5.487   5.487
  353   1HD   LYS  50          2HD       LYS  50  -8.098   4.282   4.282
  354   2HD   LYS  50          1HD       LYS  50  -7.721   3.834   3.834
  355   1HE   LYS  50          2HE       LYS  50  -7.093   6.648   6.648
  356   2HE   LYS  50          1HE       LYS  50  -8.799   6.270   6.270
  357   1HZ   LYS  50          1HZ       LYS  50  -7.327   5.692   5.692
  358   2HZ   LYS  50          3HZ       LYS  50  -8.422   6.931   6.931
  359   3HZ   LYS  50          2HZ       LYS  50  -8.929   5.351   5.351
  360    H    VAL  51           H        VAL  51  -3.653   1.859   1.859
  361    HA   VAL  51           HA       VAL  51  -5.356  -0.577  -0.577
  362    HB   VAL  51           HB       VAL  51  -3.610  -1.929  -1.929
  363   1HG1  VAL  51          1HG1      VAL  51  -2.567  -0.112  -0.112
  364   2HG1  VAL  51          3HG1      VAL  51  -1.939  -1.739  -1.739
  365   3HG1  VAL  51          2HG1      VAL  51  -3.603  -1.538  -1.538
  366   1HG2  VAL  51          1HG2      VAL  51  -2.502  -0.398  -0.398
  367   2HG2  VAL  51          3HG2      VAL  51  -1.305  -1.098  -1.098
  368   3HG2  VAL  51          2HG2      VAL  51  -1.872   0.568   0.568
  369    H    SER  52           H        SER  52  -4.433  -1.595  -1.595
  370    HA   SER  52           HA       SER  52  -4.968   0.594   0.594
  371   1HB   SER  52          2HB       SER  52  -6.955  -1.358  -1.358
  372   2HB   SER  52          1HB       SER  52  -6.529  -1.586  -1.586
  373    HG   SER  52           HG       SER  52  -7.032   1.019   1.019
  374    H    PHE  53           H        PHE  53  -4.970  -0.512  -0.512
  375    HA   PHE  53           HA       PHE  53  -3.310  -2.892  -2.892
  376   1HB   PHE  53          2HB       PHE  53  -1.367  -1.656  -1.656
  377   2HB   PHE  53          1HB       PHE  53  -1.502  -1.578  -1.578
  378    HD1  PHE  53           HD1      PHE  53  -2.967   0.456   0.456
  379    HD2  PHE  53           HD2      PHE  53  -0.829   0.446   0.446
  380    HE1  PHE  53           HE1      PHE  53  -2.862   2.937   2.937
  381    HE2  PHE  53           HE2      PHE  53  -0.726   2.927   2.927
  382    HZ   PHE  53           HZ       PHE  53  -1.742   4.177   4.177
  383    H    THR  54           H        THR  54  -2.105  -2.038  -2.038
  384    HA   THR  54           HA       THR  54  -4.294  -0.989  -0.989
  385    HB   THR  54           HB       THR  54  -5.033  -3.319  -3.319
  386    HG1  THR  54           HG1      THR  54  -4.542  -3.762  -3.762
  387   1HG2  THR  54          2HG2      THR  54  -2.054  -3.800  -3.800
  388   2HG2  THR  54          1HG2      THR  54  -3.155  -4.898  -4.898
  389   3HG2  THR  54          3HG2      THR  54  -3.245  -4.768  -4.768
  390    H    ILE  55           H        ILE  55  -1.520  -0.244  -0.244
  391    HA   ILE  55           HA       ILE  55   0.567   0.091   0.091
  392    HB   ILE  55           HB       ILE  55  -1.455   1.364   1.364
  393   1HG1  ILE  55          2HG1      ILE  55   0.363   3.006   3.006
  394   2HG1  ILE  55          1HG1      ILE  55  -0.698   1.907   1.907
  395   1HG2  ILE  55          1HG2      ILE  55   1.560   1.787   1.787
  396   2HG2  ILE  55          3HG2      ILE  55   0.350   2.822   2.822
  397   3HG2  ILE  55          2HG2      ILE  55   0.534   1.122   1.122
  398   1HD1  ILE  55          1HD1      ILE  55  -1.601   3.945   3.945
  399   2HD1  ILE  55          3HD1      ILE  55  -1.761   4.119   4.119
  400   3HD1  ILE  55          2HD1      ILE  55  -2.672   2.861   2.861
  401    H    GLU  56           H        GLU  56   1.431  -1.955  -1.955
  402    HA   GLU  56           HA       GLU  56   0.692  -3.401  -3.401
  403   1HB   GLU  56          2HB       GLU  56   3.180  -3.544  -3.544
  404   2HB   GLU  56          1HB       GLU  56   2.819  -4.685  -4.685
  405   1HG   GLU  56          2HG       GLU  56   0.540  -4.313  -4.313
  406   2HG   GLU  56          1HG       GLU  56   1.986  -4.865  -4.865
  407    H    SER  57           H        SER  57   3.784  -3.783  -3.783
  408    HA   SER  57           HA       SER  57   5.372  -2.847  -2.847
  409   1HB   SER  57          2HB       SER  57   5.593  -0.588  -0.588
  410   2HB   SER  57          1HB       SER  57   4.416  -0.583  -0.583
  411    HG   SER  57           HG       SER  57   2.956   0.222   0.222
  412    H    GLY  58           H        GLY  58   5.542  -3.737  -3.737
  413   1HA   GLY  58          1HA       GLY  58   3.696  -2.993  -2.993
  414   2HA   GLY  58          2HA       GLY  58   3.505  -4.669  -4.669
  415    H    ALA  59           H        ALA  59   6.531  -4.506  -4.506
  416    HA   ALA  59           HA       ALA  59   7.664  -4.887  -4.887
  417   1HB   ALA  59          3HB       ALA  59   7.380  -7.033  -7.033
  418   2HB   ALA  59          2HB       ALA  59   8.335  -6.337  -6.337
  419   3HB   ALA  59          1HB       ALA  59   9.101  -6.630  -6.630
  420    H    LYS  60           H        LYS  60   7.552  -2.479  -2.479
  421    HA   LYS  60           HA       LYS  60   9.091  -0.787  -0.787
  422   1HB   LYS  60          2HB       LYS  60  11.202  -0.927  -0.927
  423   2HB   LYS  60          1HB       LYS  60  10.604  -2.448  -2.448
  424   1HG   LYS  60          2HG       LYS  60  12.503  -3.234  -3.234
  425   2HG   LYS  60          1HG       LYS  60  11.349  -3.384  -3.384
  426   1HD   LYS  60          2HD       LYS  60  12.529  -1.900  -1.900
  427   2HD   LYS  60          1HD       LYS  60  12.435  -0.696  -0.696
  428   1HE   LYS  60          2HE       LYS  60  14.788  -1.226  -1.226
  429   2HE   LYS  60          1HE       LYS  60  14.397  -1.753  -1.753
  430   1HZ   LYS  60          1HZ       LYS  60  14.429  -3.470  -3.470
  431   2HZ   LYS  60          3HZ       LYS  60  15.603  -3.420  -3.420
  432   3HZ   LYS  60          2HZ       LYS  60  14.078  -3.977  -3.977
  433    H    GLY  61           H        GLY  61   8.888  -3.750  -3.750
  434   1HA   GLY  61          1HA       GLY  61  10.081  -2.481  -2.481
  435   2HA   GLY  61          2HA       GLY  61   9.805  -4.218  -4.218
  436    HA   PRO  62           HA       PRO  62   5.733  -1.936  -1.936
  437   1HB   PRO  62          2HB       PRO  62   6.249   0.047   0.047
  438   2HB   PRO  62          1HB       PRO  62   6.010   0.382   0.382
  439   1HG   PRO  62          2HG       PRO  62   8.474   0.415   0.415
  440   2HG   PRO  62          1HG       PRO  62   8.139   1.137   1.137
  441   1HD   PRO  62          2HD       PRO  62   9.643  -1.236  -1.236
  442   2HD   PRO  62          1HD       PRO  62   9.208  -0.559  -0.559
  443    H    ALA  63           H        ALA  63   4.521  -1.789  -1.789
  444    HA   ALA  63           HA       ALA  63   5.686  -2.885  -2.885
  445   1HB   ALA  63          3HB       ALA  63   6.040  -4.906  -4.906
  446   2HB   ALA  63          2HB       ALA  63   4.303  -4.921  -4.921
  447   3HB   ALA  63          1HB       ALA  63   4.852  -5.227  -5.227
  448    H    ALA  64           H        ALA  64   3.569  -4.558  -4.558
  449    HA   ALA  64           HA       ALA  64   1.095  -2.914  -2.914
  450   1HB   ALA  64          3HB       ALA  64   2.273  -2.155  -2.155
  451   2HB   ALA  64          2HB       ALA  64   2.283  -3.834  -3.834
  452   3HB   ALA  64          1HB       ALA  64   0.737  -2.988  -2.988
  453    H    GLY  65           H        GLY  65  -0.071  -4.508  -4.508
  454   1HA   GLY  65          1HA       GLY  65  -0.079  -7.239  -7.239
  455   2HA   GLY  65          2HA       GLY  65  -0.713  -6.771  -6.771
  456    H    ASN  66           H        ASN  66  -2.512  -8.223  -8.223
  457    HA   ASN  66           HA       ASN  66  -4.406  -8.296  -8.296
  458   1HB   ASN  66          2HB       ASN  66  -4.776  -6.156  -6.156
  459   2HB   ASN  66          1HB       ASN  66  -6.093  -6.562  -6.562
  460   1HD2  ASN  66          1HD2      ASN  66  -5.756  -6.867  -6.867
  461   2HD2  ASN  66          2HD2      ASN  66  -6.048  -8.573  -8.573
  462    H    VAL  67           H        VAL  67  -2.733  -7.214  -7.214
  463    HA   VAL  67           HA       VAL  67  -3.578  -4.504  -4.504
  464    HB   VAL  67           HB       VAL  67  -1.452  -6.379  -6.379
  465   1HG1  VAL  67          1HG1      VAL  67  -2.507  -4.445  -4.445
  466   2HG1  VAL  67          3HG1      VAL  67  -0.945  -5.305  -5.305
  467   3HG1  VAL  67          2HG1      VAL  67  -2.468  -6.215  -6.215
  468   1HG2  VAL  67          1HG2      VAL  67  -1.057  -4.399  -4.399
  469   2HG2  VAL  67          3HG2      VAL  67  -0.128  -4.272  -4.272
  470   3HG2  VAL  67          2HG2      VAL  67  -1.620  -3.334  -3.334
  471    H    THR  68           H        THR  68  -4.158  -4.110  -4.110
  472    HA   THR  68           HA       THR  68  -5.459  -6.253  -6.253
  473    HB   THR  68           HB       THR  68  -7.351  -6.237  -6.237
  474    HG1  THR  68           HG1      THR  68  -8.093  -3.921  -3.921
  475   1HG2  THR  68          2HG2      THR  68  -6.459  -3.383  -3.383
  476   2HG2  THR  68          1HG2      THR  68  -8.195  -3.734  -3.734
  477   3HG2  THR  68          3HG2      THR  68  -7.052  -4.584  -4.584
  478    H    SER  69           H        SER  69  -5.435  -5.703  -5.703
  479    HA   SER  69           HA       SER  69  -4.587  -3.000  -3.000
  480   1HB   SER  69          2HB       SER  69  -5.020  -4.128  -4.128
  481   2HB   SER  69          1HB       SER  69  -3.537  -4.388  -4.388
  482    HG   SER  69           HG       SER  69  -4.235  -6.410  -6.410
  483    H    LEU  70           H        LEU  70  -5.843  -1.343  -1.343
  484    HA   LEU  70           HA       LEU  70  -8.659  -2.041  -2.041
  485   1HB   LEU  70          2HB       LEU  70  -7.535   0.240   0.240
  486   2HB   LEU  70          1HB       LEU  70  -9.145   0.313   0.313
  487    HG   LEU  70           HG       LEU  70  -8.212  -1.771  -1.771
  488   1HD1  LEU  70          1HD1      LEU  70  -9.909   0.704   0.704
  489   2HD1  LEU  70          3HD1      LEU  70  -9.632  -0.615  -0.615
  490   3HD1  LEU  70          2HD1      LEU  70  -8.275   0.385   0.385
  491   1HD2  LEU  70          1HD2      LEU  70 -10.027  -2.574  -2.574
  492   2HD2  LEU  70          3HD2      LEU  70 -10.637  -2.323  -2.323
  493   3HD2  LEU  70          2HD2      LEU  70 -11.005  -1.143  -1.143

  Start of MODEL   15
    1    H    SER   2           H        SER   2 -13.894  -2.422  -2.422
    2    HA   SER   2           HA       SER   2 -11.748  -4.398  -4.398
    3   1HB   SER   2          2HB       SER   2 -13.564  -5.953  -5.953
    4   2HB   SER   2          1HB       SER   2 -13.875  -5.137  -5.137
    5    HG   SER   2           HG       SER   2 -15.052  -4.606  -4.606
    6    H    GLY   3           H        GLY   3 -11.414  -2.114  -2.114
    7   1HA   GLY   3          1HA       GLY   3 -11.799  -3.339  -3.339
    8   2HA   GLY   3          2HA       GLY   3 -12.247  -1.646  -1.646
    9    H    LYS   4           H        LYS   4 -10.234  -2.517  -2.517
   10    HA   LYS   4           HA       LYS   4  -7.678  -2.005  -2.005
   11   1HB   LYS   4          2HB       LYS   4  -7.484  -2.125  -2.125
   12   2HB   LYS   4          1HB       LYS   4  -6.823  -3.221  -3.221
   13   1HG   LYS   4          2HG       LYS   4  -9.684  -3.276  -3.276
   14   2HG   LYS   4          1HG       LYS   4  -8.384  -4.354  -4.354
   15   1HD   LYS   4          2HD       LYS   4  -8.343  -4.551  -4.551
   16   2HD   LYS   4          1HD       LYS   4 -10.069  -4.493  -4.493
   17   1HE   LYS   4          2HE       LYS   4  -9.954  -6.466  -6.466
   18   2HE   LYS   4          1HE       LYS   4  -8.210  -6.299  -6.299
   19   1HZ   LYS   4          1HZ       LYS   4  -9.493  -6.949  -6.949
   20   2HZ   LYS   4          3HZ       LYS   4  -8.707  -8.025  -8.025
   21   3HZ   LYS   4          2HZ       LYS   4  -7.858  -6.811  -6.811
   22    H    MET   5           H        MET   5  -6.266  -0.538  -0.538
   23    HA   MET   5           HA       MET   5  -7.768   2.049   2.049
   24   1HB   MET   5          2HB       MET   5  -5.050   2.676   2.676
   25   2HB   MET   5          1HB       MET   5  -6.149   2.806   2.806
   26   1HG   MET   5          2HG       MET   5  -4.758   0.191   0.191
   27   2HG   MET   5          1HG       MET   5  -3.940   1.440   1.440
   28   1HE   MET   5          1HE       MET   5  -6.138   2.807   2.807
   29   2HE   MET   5          3HE       MET   5  -6.186   1.773   1.773
   30   3HE   MET   5          2HE       MET   5  -4.631   2.184   2.184
   31    H    THR   6           H        THR   6  -7.542   3.335   3.335
   32    HA   THR   6           HA       THR   6  -6.670   1.863   1.863
   33    HB   THR   6           HB       THR   6  -7.811   3.710   3.710
   34    HG1  THR   6           HG1      THR   6  -6.942   4.949   4.949
   35   1HG2  THR   6          2HG2      THR   6  -9.092   2.629   2.629
   36   2HG2  THR   6          1HG2      THR   6  -9.883   4.002   4.002
   37   3HG2  THR   6          3HG2      THR   6  -9.667   2.479   2.479
   38    H    GLY   7           H        GLY   7  -4.892   2.320   2.320
   39   1HA   GLY   7          1HA       GLY   7  -3.325   4.719   4.719
   40   2HA   GLY   7          2HA       GLY   7  -2.574   3.402   3.402
   41    H    ILE   8           H        ILE   8  -2.799   4.894   4.894
   42    HA   ILE   8           HA       ILE   8  -2.550   2.547   2.547
   43    HB   ILE   8           HB       ILE   8  -2.631   3.899   3.899
   44   1HG1  ILE   8          2HG1      ILE   8  -0.689   5.611   5.611
   45   2HG1  ILE   8          1HG1      ILE   8  -0.589   4.954   4.954
   46   1HG2  ILE   8          1HG2      ILE   8  -3.527   5.796   5.796
   47   2HG2  ILE   8          3HG2      ILE   8  -3.919   5.976   5.976
   48   3HG2  ILE   8          2HG2      ILE   8  -4.519   4.574   4.574
   49   1HD1  ILE   8          1HD1      ILE   8  -2.399   7.251   7.251
   50   2HD1  ILE   8          3HD1      ILE   8  -0.884   7.413   7.413
   51   3HD1  ILE   8          2HD1      ILE   8  -2.293   6.613   6.613
   52    H    VAL   9           H        VAL   9  -0.704   1.540   1.540
   53    HA   VAL   9           HA       VAL   9   1.775   2.230   2.230
   54    HB   VAL   9           HB       VAL   9   2.398   0.103   0.103
   55   1HG1  VAL   9          1HG1      VAL   9  -0.619  -0.131  -0.131
   56   2HG1  VAL   9          3HG1      VAL   9   0.446  -1.434  -1.434
   57   3HG1  VAL   9          2HG1      VAL   9   0.236   0.049   0.049
   58   1HG2  VAL   9          1HG2      VAL   9   2.568   0.047   0.047
   59   2HG2  VAL   9          3HG2      VAL   9   1.787  -1.444  -1.444
   60   3HG2  VAL   9          2HG2      VAL   9   0.811  -0.159  -0.159
   61    H    LYS  10           H        LYS  10   3.753   2.702   2.702
   62    HA   LYS  10           HA       LYS  10   3.345   3.782   3.782
   63   1HB   LYS  10          2HB       LYS  10   5.549   4.148   4.148
   64   2HB   LYS  10          1HB       LYS  10   5.607   4.827   4.827
   65   1HG   LYS  10          2HG       LYS  10   3.116   5.310   5.310
   66   2HG   LYS  10          1HG       LYS  10   4.580   6.157   6.157
   67   1HD   LYS  10          2HD       LYS  10   3.726   6.174   6.174
   68   2HD   LYS  10          1HD       LYS  10   3.021   7.316   7.316
   69   1HE   LYS  10          2HE       LYS  10   5.259   8.187   8.187
   70   2HE   LYS  10          1HE       LYS  10   6.010   6.971   6.971
   71   1HZ   LYS  10          1HZ       LYS  10   4.146   9.096   9.096
   72   2HZ   LYS  10          3HZ       LYS  10   5.803   9.092   9.092
   73   3HZ   LYS  10          2HZ       LYS  10   4.858   7.972   7.972
   74    H    TRP  11           H        TRP  11   5.541   1.537   1.537
   75    HA   TRP  11           HA       TRP  11   6.157   0.301   0.301
   76   1HB   TRP  11          2HB       TRP  11   8.215  -0.255  -0.255
   77   2HB   TRP  11          1HB       TRP  11   8.311   0.570   0.570
   78    HD1  TRP  11           HD1      TRP  11   6.966   3.406   3.406
   79    HE1  TRP  11           HE1      TRP  11   7.877   5.031   5.031
   80    HE3  TRP  11           HE3      TRP  11   9.829   0.059   0.059
   81    HZ2  TRP  11           HZ2      TRP  11   9.761   4.959   4.959
   82    HZ3  TRP  11           HZ3      TRP  11  11.149   1.002   1.002
   83    HH2  TRP  11           HH2      TRP  11  11.136   3.323   3.323
   84    H    PHE  12           H        PHE  12   6.835  -2.072  -2.072
   85    HA   PHE  12           HA       PHE  12   6.115  -3.582  -3.582
   86   1HB   PHE  12          2HB       PHE  12   3.911  -3.726  -3.726
   87   2HB   PHE  12          1HB       PHE  12   3.915  -2.669  -2.669
   88    HD1  PHE  12           HD1      PHE  12   4.143  -6.273  -6.273
   89    HD2  PHE  12           HD2      PHE  12   3.500  -3.469  -3.469
   90    HE1  PHE  12           HE1      PHE  12   3.395  -8.131  -8.131
   91    HE2  PHE  12           HE2      PHE  12   2.755  -5.335  -5.335
   92    HZ   PHE  12           HZ       PHE  12   2.700  -7.667  -7.667
   93    H    ASN  13           H        ASN  13   7.575  -5.191  -5.191
   94    HA   ASN  13           HA       ASN  13   7.608  -6.696  -6.696
   95   1HB   ASN  13          2HB       ASN  13   9.916  -5.155  -5.155
   96   2HB   ASN  13          1HB       ASN  13  10.245  -6.736  -6.736
   97   1HD2  ASN  13          1HD2      ASN  13   9.552  -3.412  -3.412
   98   2HD2  ASN  13          2HD2      ASN  13   9.508  -3.372  -3.372
   99    H    ALA  14           H        ALA  14   7.971  -8.882  -8.882
  100    HA   ALA  14           HA       ALA  14   8.348  -9.751  -9.751
  101   1HB   ALA  14          3HB       ALA  14   6.244 -10.478 -10.478
  102   2HB   ALA  14          2HB       ALA  14   7.240 -11.222 -11.222
  103   3HB   ALA  14          1HB       ALA  14   7.301 -11.864 -11.864
  104    H    ASP  15           H        ASP  15  10.554  -8.891  -8.891
  105    HA   ASP  15           HA       ASP  15  11.982 -11.513 -11.513
  106   1HB   ASP  15          2HB       ASP  15  12.692  -9.289  -9.289
  107   2HB   ASP  15          1HB       ASP  15  12.925 -11.038 -11.038
  108    H    LYS  16           H        LYS  16  12.427  -7.911  -7.911
  109    HA   LYS  16           HA       LYS  16  15.078  -7.952  -7.952
  110   1HB   LYS  16          2HB       LYS  16  14.036  -5.482  -5.482
  111   2HB   LYS  16          1HB       LYS  16  14.845  -5.878  -5.878
  112   1HG   LYS  16          2HG       LYS  16  11.875  -6.360  -6.360
  113   2HG   LYS  16          1HG       LYS  16  12.494  -4.790  -4.790
  114   1HD   LYS  16          2HD       LYS  16  13.737  -6.837  -6.837
  115   2HD   LYS  16          1HD       LYS  16  11.997  -7.183  -7.183
  116   1HE   LYS  16          2HE       LYS  16  12.026  -5.707  -5.707
  117   2HE   LYS  16          1HE       LYS  16  11.866  -4.534  -4.534
  118   1HZ   LYS  16          1HZ       LYS  16  14.401  -5.390  -5.390
  119   2HZ   LYS  16          3HZ       LYS  16  13.610  -3.943  -3.943
  120   3HZ   LYS  16          2HZ       LYS  16  14.259  -4.277  -4.277
  121    H    GLY  17           H        GLY  17  12.059  -7.054  -7.054
  122   1HA   GLY  17          1HA       GLY  17  12.407  -8.624  -8.624
  123   2HA   GLY  17          2HA       GLY  17  13.416  -7.199  -7.199
  124    H    PHE  18           H        PHE  18  10.146  -7.977  -7.977
  125    HA   PHE  18           HA       PHE  18   8.039  -7.103  -7.103
  126   1HB   PHE  18          2HB       PHE  18   9.119  -5.403  -5.403
  127   2HB   PHE  18          1HB       PHE  18   7.650  -6.359  -6.359
  128    HD1  PHE  18           HD2      PHE  18   8.910  -9.043  -9.043
  129    HD2  PHE  18           HD1      PHE  18   9.971  -6.163  -6.163
  130    HE1  PHE  18           HE2      PHE  18   9.970 -10.846 -10.846
  131    HE2  PHE  18           HE1      PHE  18  11.030  -7.972  -7.972
  132    HZ   PHE  18           HZ       PHE  18  11.030 -10.314 -10.314
  133    H    GLY  19           H        GLY  19   7.391  -4.490  -4.490
  134   1HA   GLY  19          1HA       GLY  19   8.860  -2.598  -2.598
  135   2HA   GLY  19          2HA       GLY  19   7.165  -2.914  -2.914
  136    H    PHE  20           H        PHE  20   7.410  -0.385  -0.385
  137    HA   PHE  20           HA       PHE  20   6.812  -0.016  -0.016
  138   1HB   PHE  20          2HB       PHE  20   8.182   1.712   1.712
  139   2HB   PHE  20          1HB       PHE  20   7.400   2.419   2.419
  140    HD1  PHE  20           HD1      PHE  20   9.497  -0.718  -0.718
  141    HD2  PHE  20           HD2      PHE  20   9.027   3.173   3.173
  142    HE1  PHE  20           HE1      PHE  20  11.512  -1.125  -1.125
  143    HE2  PHE  20           HE2      PHE  20  11.045   2.759   2.759
  144    HZ   PHE  20           HZ       PHE  20  12.292   0.611   0.611
  145    H    ILE  21           H        ILE  21   4.900   0.981   0.981
  146    HA   ILE  21           HA       ILE  21   3.028   1.398   1.398
  147    HB   ILE  21           HB       ILE  21   2.729   0.803   0.803
  148   1HG1  ILE  21          2HG1      ILE  21   2.007  -0.504  -0.504
  149   2HG1  ILE  21          1HG1      ILE  21   2.812  -1.190  -1.190
  150   1HG2  ILE  21          1HG2      ILE  21   0.512   1.841   1.841
  151   2HG2  ILE  21          3HG2      ILE  21   0.265   1.107   1.107
  152   3HG2  ILE  21          2HG2      ILE  21   1.160   2.632   2.632
  153   1HD1  ILE  21          1HD1      ILE  21  -0.146  -0.423  -0.423
  154   2HD1  ILE  21          3HD1      ILE  21   0.515  -2.080  -2.080
  155   3HD1  ILE  21          2HD1      ILE  21   0.646  -1.125  -1.125
  156    H    THR  22           H        THR  22   1.424   3.277   3.277
  157    HA   THR  22           HA       THR  22   2.825   5.615   5.615
  158    HB   THR  22           HB       THR  22   2.027   5.163   5.163
  159    HG1  THR  22           HG1      THR  22   3.803   6.537   6.537
  160   1HG2  THR  22          2HG2      THR  22   1.149   7.556   7.556
  161   2HG2  THR  22          1HG2      THR  22   1.926   7.874   7.874
  162   3HG2  THR  22          3HG2      THR  22   0.428   6.923   6.923
  163    HA   PRO  23           HA       PRO  23  -1.358   5.374   5.374
  164   1HB   PRO  23          2HB       PRO  23  -0.522   6.259   6.259
  165   2HB   PRO  23          1HB       PRO  23  -0.613   4.553   4.553
  166   1HG   PRO  23          2HG       PRO  23   1.735   6.285   6.285
  167   2HG   PRO  23          1HG       PRO  23   1.625   4.514   4.514
  168   1HD   PRO  23          2HD       PRO  23   2.575   6.276   6.276
  169   2HD   PRO  23          1HD       PRO  23   2.359   4.516   4.516
  170    H    ASP  24           H        ASP  24  -2.894   6.958   6.958
  171    HA   ASP  24           HA       ASP  24  -2.290   9.524   9.524
  172   1HB   ASP  24          2HB       ASP  24  -4.513  10.128  10.128
  173   2HB   ASP  24          1HB       ASP  24  -4.532   8.935   8.935
  174    H    ASP  25           H        ASP  25  -3.934   9.456   9.456
  175    HA   ASP  25           HA       ASP  25  -3.608  10.905  10.905
  176   1HB   ASP  25          2HB       ASP  25  -0.837   9.685   9.685
  177   2HB   ASP  25          1HB       ASP  25  -1.497  10.485  10.485
  178    H    GLY  26           H        GLY  26  -0.156  11.165  11.165
  179   1HA   GLY  26          1HA       GLY  26  -0.436  13.826  13.826
  180   2HA   GLY  26          2HA       GLY  26   0.389  13.712  13.712
  181    H    SER  27           H        SER  27   0.395  11.275  11.275
  182    HA   SER  27           HA       SER  27   2.062  10.816  10.816
  183   1HB   SER  27          2HB       SER  27   3.914  12.124  12.124
  184   2HB   SER  27          1HB       SER  27   2.922  13.272  13.272
  185    HG   SER  27           HG       SER  27   4.416  13.228  13.228
  186    H    LYS  28           H        LYS  28   4.849  10.312  10.312
  187    HA   LYS  28           HA       LYS  28   6.155   9.058   9.058
  188   1HB   LYS  28          2HB       LYS  28   4.294   9.554   9.554
  189   2HB   LYS  28          1HB       LYS  28   3.808   7.880   7.880
  190   1HG   LYS  28          2HG       LYS  28   6.507   7.567   7.567
  191   2HG   LYS  28          1HG       LYS  28   6.248   8.950   8.950
  192   1HD   LYS  28          2HD       LYS  28   4.224   7.423   7.423
  193   2HD   LYS  28          1HD       LYS  28   5.233   6.123   6.123
  194   1HE   LYS  28          2HE       LYS  28   7.073   7.635   7.635
  195   2HE   LYS  28          1HE       LYS  28   5.614   7.807   7.807
  196   1HZ   LYS  28          1HZ       LYS  28   6.795   5.257   5.257
  197   2HZ   LYS  28          3HZ       LYS  28   6.911   5.897   5.897
  198   3HZ   LYS  28          2HZ       LYS  28   5.438   5.407   5.407
  199    H    ASP  29           H        ASP  29   6.053   6.406   6.406
  200    HA   ASP  29           HA       ASP  29   4.577   4.915   4.915
  201   1HB   ASP  29          2HB       ASP  29   6.704   3.943   3.943
  202   2HB   ASP  29          1HB       ASP  29   6.311   5.593   5.593
  203    H    VAL  30           H        VAL  30   4.884   2.574   2.574
  204    HA   VAL  30           HA       VAL  30   6.283   1.870   1.870
  205    HB   VAL  30           HB       VAL  30   4.095   0.187   0.187
  206   1HG1  VAL  30          1HG1      VAL  30   4.550   2.656   2.656
  207   2HG1  VAL  30          3HG1      VAL  30   3.378   1.355   1.355
  208   3HG1  VAL  30          2HG1      VAL  30   5.118   1.009   1.009
  209   1HG2  VAL  30          1HG2      VAL  30   2.977   1.693   1.693
  210   2HG2  VAL  30          3HG2      VAL  30   2.145   1.737   1.737
  211   3HG2  VAL  30          2HG2      VAL  30   3.218   3.068   3.068
  212    H    PHE  31           H        PHE  31   7.025  -0.357  -0.357
  213    HA   PHE  31           HA       PHE  31   7.656  -1.457  -1.457
  214   1HB   PHE  31          2HB       PHE  31   9.434  -2.451  -2.451
  215   2HB   PHE  31          1HB       PHE  31   9.234  -1.084  -1.084
  216    HD1  PHE  31           HD2      PHE  31   8.151  -4.684  -4.684
  217    HD2  PHE  31           HD1      PHE  31   9.084  -1.416  -1.416
  218    HE1  PHE  31           HE2      PHE  31   7.943  -6.212  -6.212
  219    HE2  PHE  31           HE1      PHE  31   8.874  -2.949  -2.949
  220    HZ   PHE  31           HZ       PHE  31   8.304  -5.348  -5.348
  221    H    VAL  32           H        VAL  32   6.571  -3.131  -3.131
  222    HA   VAL  32           HA       VAL  32   5.451  -5.214  -5.214
  223    HB   VAL  32           HB       VAL  32   3.633  -3.934  -3.934
  224   1HG1  VAL  32          1HG1      VAL  32   3.818  -2.836  -2.836
  225   2HG1  VAL  32          3HG1      VAL  32   2.556  -2.411  -2.411
  226   3HG1  VAL  32          2HG1      VAL  32   4.251  -1.982  -1.982
  227   1HG2  VAL  32          1HG2      VAL  32   2.906  -6.046  -6.046
  228   2HG2  VAL  32          3HG2      VAL  32   1.780  -4.731  -4.731
  229   3HG2  VAL  32          2HG2      VAL  32   2.972  -5.311  -5.311
  230    H    HIS  33           H        HIS  33   4.577  -7.024  -7.024
  231    HA   HIS  33           HA       HIS  33   5.815  -6.924  -6.924
  232   1HB   HIS  33          2HB       HIS  33   5.802  -9.455  -9.455
  233   2HB   HIS  33          1HB       HIS  33   6.968  -8.533  -8.533
  234    HD1  HIS  33           HD1      HIS  33   3.216  -9.114  -9.114
  235    HD2  HIS  33           HD2      HIS  33   7.082 -10.311 -10.311
  236    HE1  HIS  33           HE1      HIS  33   2.911 -10.276 -10.276
  237    H    PHE  34           H        PHE  34   4.490  -9.449  -9.449
  238    HA   PHE  34           HA       PHE  34   1.686  -8.404  -8.404
  239   1HB   PHE  34          2HB       PHE  34   1.737  -9.110  -9.110
  240   2HB   PHE  34          1HB       PHE  34   3.344  -8.438  -8.438
  241    HD1  PHE  34           HD1      PHE  34   5.078 -10.373 -10.373
  242    HD2  PHE  34           HD2      PHE  34   1.716 -11.047 -11.047
  243    HE1  PHE  34           HE1      PHE  34   6.106 -12.497 -12.497
  244    HE2  PHE  34           HE2      PHE  34   2.753 -13.171 -13.171
  245    HZ   PHE  34           HZ       PHE  34   4.947 -13.899 -13.899
  246    H    SER  35           H        SER  35   2.999 -10.241 -10.241
  247    HA   SER  35           HA       SER  35   1.584 -12.754 -12.754
  248   1HB   SER  35          2HB       SER  35   3.648 -13.402 -13.402
  249   2HB   SER  35          1HB       SER  35   3.797 -11.995 -11.995
  250    HG   SER  35           HG       SER  35   1.868 -14.021 -14.021
  251    H    ALA  36           H        ALA  36   1.273  -9.804  -9.804
  252    HA   ALA  36           HA       ALA  36  -0.684 -10.948 -10.948
  253   1HB   ALA  36          3HB       ALA  36   0.988  -9.200  -9.200
  254   2HB   ALA  36          2HB       ALA  36   0.319  -8.087  -8.087
  255   3HB   ALA  36          1HB       ALA  36  -0.690  -8.614  -8.614
  256    H    ILE  37           H        ILE  37  -0.871 -10.477 -10.477
  257    HA   ILE  37           HA       ILE  37  -2.958  -8.514  -8.514
  258    HB   ILE  37           HB       ILE  37  -3.224  -9.358  -9.358
  259   1HG1  ILE  37          2HG1      ILE  37  -1.165 -10.995 -10.995
  260   2HG1  ILE  37          1HG1      ILE  37  -1.468 -11.534 -11.534
  261   1HG2  ILE  37          1HG2      ILE  37  -0.362  -8.791  -8.791
  262   2HG2  ILE  37          3HG2      ILE  37  -0.966  -8.681  -8.681
  263   3HG2  ILE  37          2HG2      ILE  37  -1.603  -7.596  -7.596
  264   1HD1  ILE  37          1HD1      ILE  37  -3.551 -11.373 -11.373
  265   2HD1  ILE  37          3HD1      ILE  37  -2.775 -12.862 -12.862
  266   3HD1  ILE  37          2HD1      ILE  37  -3.860 -11.931 -11.931
  267    H    GLN  38           H        GLN  38  -5.078  -9.445  -9.445
  268    HA   GLN  38           HA       GLN  38  -6.073 -11.745 -11.745
  269   1HB   GLN  38          2HB       GLN  38  -7.305  -9.018  -9.018
  270   2HB   GLN  38          1HB       GLN  38  -8.361 -10.436 -10.436
  271   1HG   GLN  38          2HG       GLN  38  -7.870  -9.322  -9.322
  272   2HG   GLN  38          1HG       GLN  38  -7.330 -11.011 -11.011
  273   1HE2  GLN  38          1HE2      GLN  38  -6.002  -7.981  -7.981
  274   2HE2  GLN  38          2HE2      GLN  38  -4.431  -8.055  -8.055
  275    H    ASN  39           H        ASN  39  -5.547 -13.031 -13.031
  276    HA   ASN  39           HA       ASN  39  -7.765 -13.265 -13.265
  277   1HB   ASN  39          2HB       ASN  39  -6.105 -11.306 -11.306
  278   2HB   ASN  39          1HB       ASN  39  -5.208 -12.711 -12.711
  279   1HD2  ASN  39          1HD2      ASN  39  -5.572 -12.321 -12.321
  280   2HD2  ASN  39          2HD2      ASN  39  -7.153 -12.469 -12.469
  281    H    ASP  40           H        ASP  40  -7.567 -15.186 -15.186
  282    HA   ASP  40           HA       ASP  40  -5.240 -16.907 -16.907
  283   1HB   ASP  40          2HB       ASP  40  -7.384 -17.511 -17.511
  284   2HB   ASP  40          1HB       ASP  40  -8.119 -17.771 -17.771
  285    H    GLY  41           H        GLY  41  -4.158 -16.487 -16.487
  286   1HA   GLY  41          1HA       GLY  41  -4.319 -18.111 -18.111
  287   2HA   GLY  41          2HA       GLY  41  -5.620 -16.977 -16.977
  288    H    TYR  42           H        TYR  42  -5.084 -14.979 -14.979
  289    HA   TYR  42           HA       TYR  42  -2.344 -14.643 -14.643
  290   1HB   TYR  42          1HB       TYR  42  -4.305 -13.809 -13.809
  291   2HB   TYR  42          2HB       TYR  42  -4.661 -12.654 -12.654
  292    HD1  TYR  42           HD1      TYR  42  -1.165 -13.408 -13.408
  293    HD2  TYR  42           HD2      TYR  42  -4.493 -10.660 -10.660
  294    HE1  TYR  42           HE1      TYR  42   0.314 -11.714 -11.714
  295    HE2  TYR  42           HE2      TYR  42  -3.013  -8.969  -8.969
  296    HH   TYR  42           HH       TYR  42   0.313  -9.668  -9.668
  297    H    LYS  43           H        LYS  43  -1.130 -14.743 -14.743
  298    HA   LYS  43           HA       LYS  43  -1.658 -12.752 -12.752
  299   1HB   LYS  43          2HB       LYS  43  -0.072 -15.154 -15.154
  300   2HB   LYS  43          1HB       LYS  43   0.885 -13.847 -13.847
  301   1HG   LYS  43          2HG       LYS  43  -0.257 -15.070 -15.070
  302   2HG   LYS  43          1HG       LYS  43  -0.993 -13.461 -13.461
  303   1HD   LYS  43          2HD       LYS  43  -2.995 -14.474 -14.474
  304   2HD   LYS  43          1HD       LYS  43  -2.415 -15.133 -15.133
  305   1HE   LYS  43          2HE       LYS  43  -2.827 -17.146 -17.146
  306   2HE   LYS  43          1HE       LYS  43  -1.242 -16.867 -16.867
  307   1HZ   LYS  43          1HZ       LYS  43  -3.856 -16.111 -16.111
  308   2HZ   LYS  43          3HZ       LYS  43  -2.917 -17.411 -17.411
  309   3HZ   LYS  43          2HZ       LYS  43  -2.377 -15.861 -15.861
  310    H    SER  44           H        SER  44  -1.555 -10.765 -10.765
  311    HA   SER  44           HA       SER  44   1.046  -9.591  -9.591
  312   1HB   SER  44          2HB       SER  44  -0.148 -10.360 -10.360
  313   2HB   SER  44          1HB       SER  44   0.975  -8.995  -8.995
  314    HG   SER  44           HG       SER  44   1.789 -11.384 -11.384
  315    H    LEU  45           H        LEU  45   0.936  -7.287  -7.287
  316    HA   LEU  45           HA       LEU  45  -1.863  -6.311  -6.311
  317   1HB   LEU  45          2HB       LEU  45   0.473  -5.210  -5.210
  318   2HB   LEU  45          1HB       LEU  45  -1.132  -4.460  -4.460
  319    HG   LEU  45           HG       LEU  45  -0.352  -7.070  -7.070
  320   1HD1  LEU  45          1HD1      LEU  45  -1.522  -4.520  -4.520
  321   2HD1  LEU  45          3HD1      LEU  45  -1.242  -6.035  -6.035
  322   3HD1  LEU  45          2HD1      LEU  45   0.127  -5.136  -5.136
  323   1HD2  LEU  45          1HD2      LEU  45  -2.504  -7.395  -7.395
  324   2HD2  LEU  45          3HD2      LEU  45  -2.751  -7.344  -7.344
  325   3HD2  LEU  45          2HD2      LEU  45  -3.161  -5.937  -5.937
  326    H    ASP  46           H        ASP  46  -1.160  -3.508  -3.508
  327    HA   ASP  46           HA       ASP  46   0.313  -3.366  -3.366
  328   1HB   ASP  46          2HB       ASP  46  -2.095  -1.662  -1.662
  329   2HB   ASP  46          1HB       ASP  46  -1.311  -1.954  -1.954
  330    H    GLU  47           H        GLU  47   1.824  -1.767  -1.767
  331    HA   GLU  47           HA       GLU  47   2.396  -0.311  -0.311
  332   1HB   GLU  47          2HB       GLU  47   3.546  -0.634  -0.634
  333   2HB   GLU  47          1HB       GLU  47   3.606   1.069   1.069
  334   1HG   GLU  47          2HG       GLU  47   4.455   0.016   0.016
  335   2HG   GLU  47          1HG       GLU  47   4.885  -1.357  -1.357
  336    H    GLY  48           H        GLY  48   1.386   1.429   1.429
  337   1HA   GLY  48          1HA       GLY  48   0.467   3.583   3.583
  338   2HA   GLY  48          2HA       GLY  48   0.436   3.579   3.579
  339    H    GLN  49           H        GLN  49  -1.044   1.856   1.856
  340    HA   GLN  49           HA       GLN  49  -3.685   2.333   2.333
  341   1HB   GLN  49          2HB       GLN  49  -4.285   0.213   0.213
  342   2HB   GLN  49          1HB       GLN  49  -2.537  -0.002  -0.002
  343   1HG   GLN  49          2HG       GLN  49  -2.300  -1.034  -1.034
  344   2HG   GLN  49          1HG       GLN  49  -3.901  -0.478  -0.478
  345   1HE2  GLN  49          1HE2      GLN  49  -5.239  -2.095  -2.095
  346   2HE2  GLN  49          2HE2      GLN  49  -5.408  -3.480  -3.480
  347    H    LYS  50           H        LYS  50  -5.268   2.475   2.475
  348    HA   LYS  50           HA       LYS  50  -4.305   2.702   2.702
  349   1HB   LYS  50          2HB       LYS  50  -6.258   3.921   3.921
  350   2HB   LYS  50          1HB       LYS  50  -7.232   2.572   2.572
  351   1HG   LYS  50          2HG       LYS  50  -7.066   3.291   3.291
  352   2HG   LYS  50          1HG       LYS  50  -5.396   3.856   3.856
  353   1HD   LYS  50          2HD       LYS  50  -6.269   5.830   5.830
  354   2HD   LYS  50          1HD       LYS  50  -7.924   5.259   5.259
  355   1HE   LYS  50          2HE       LYS  50  -7.226   7.032   7.032
  356   2HE   LYS  50          1HE       LYS  50  -7.603   5.498   5.498
  357   1HZ   LYS  50          1HZ       LYS  50  -4.902   6.456   6.456
  358   2HZ   LYS  50          3HZ       LYS  50  -5.577   6.469   6.469
  359   3HZ   LYS  50          2HZ       LYS  50  -5.245   5.029   5.029
  360    H    VAL  51           H        VAL  51  -4.142   1.194   1.194
  361    HA   VAL  51           HA       VAL  51  -5.656  -1.336  -1.336
  362    HB   VAL  51           HB       VAL  51  -3.652  -2.350  -2.350
  363   1HG1  VAL  51          1HG1      VAL  51  -3.459  -1.483  -1.483
  364   2HG1  VAL  51          3HG1      VAL  51  -2.502  -2.788  -2.788
  365   3HG1  VAL  51          2HG1      VAL  51  -4.264  -2.937  -2.937
  366   1HG2  VAL  51          1HG2      VAL  51  -2.481  -0.260  -0.260
  367   2HG2  VAL  51          3HG2      VAL  51  -1.475  -1.266  -1.266
  368   3HG2  VAL  51          2HG2      VAL  51  -2.345   0.141   0.141
  369    H    SER  52           H        SER  52  -6.635  -2.233  -2.233
  370    HA   SER  52           HA       SER  52  -6.882  -0.379  -0.379
  371   1HB   SER  52          2HB       SER  52  -8.659  -1.842  -1.842
  372   2HB   SER  52          1HB       SER  52  -8.874  -1.512  -1.512
  373    HG   SER  52           HG       SER  52  -7.386  -3.687  -3.687
  374    H    PHE  53           H        PHE  53  -4.449  -0.755  -0.755
  375    HA   PHE  53           HA       PHE  53  -3.619  -3.302  -3.302
  376   1HB   PHE  53          2HB       PHE  53  -1.577  -2.200  -2.200
  377   2HB   PHE  53          1HB       PHE  53  -2.134  -1.627  -1.627
  378    HD1  PHE  53           HD2      PHE  53  -3.562   0.627   0.627
  379    HD2  PHE  53           HD1      PHE  53  -0.849  -0.591  -0.591
  380    HE1  PHE  53           HE2      PHE  53  -3.361   2.989   2.989
  381    HE2  PHE  53           HE1      PHE  53  -0.655   1.770   1.770
  382    HZ   PHE  53           HZ       PHE  53  -1.909   3.563   3.563
  383    H    THR  54           H        THR  54  -2.279  -2.504  -2.504
  384    HA   THR  54           HA       THR  54  -4.155  -1.194  -1.194
  385    HB   THR  54           HB       THR  54  -5.298  -3.353  -3.353
  386    HG1  THR  54           HG1      THR  54  -3.412  -2.996  -2.996
  387   1HG2  THR  54          2HG2      THR  54  -2.437  -4.361  -4.361
  388   2HG2  THR  54          1HG2      THR  54  -3.646  -5.260  -5.260
  389   3HG2  THR  54          3HG2      THR  54  -3.849  -5.087  -5.087
  390    H    ILE  55           H        ILE  55  -2.047   0.072   0.072
  391    HA   ILE  55           HA       ILE  55   0.431  -0.519  -0.519
  392    HB   ILE  55           HB       ILE  55  -1.296   1.612   1.612
  393   1HG1  ILE  55          2HG1      ILE  55   1.016   1.210   1.210
  394   2HG1  ILE  55          1HG1      ILE  55   0.302   2.797   2.797
  395   1HG2  ILE  55          1HG2      ILE  55   0.878   1.079   1.079
  396   2HG2  ILE  55          3HG2      ILE  55  -0.023   2.611   2.611
  397   3HG2  ILE  55          2HG2      ILE  55  -0.874   1.120   1.120
  398   1HD1  ILE  55          1HD1      ILE  55   2.425   1.380   1.380
  399   2HD1  ILE  55          3HD1      ILE  55   2.710   2.745   2.745
  400   3HD1  ILE  55          2HD1      ILE  55   1.731   2.976   2.976
  401    H    GLU  56           H        GLU  56   1.640  -1.761  -1.761
  402    HA   GLU  56           HA       GLU  56   0.594  -2.281  -2.281
  403   1HB   GLU  56          2HB       GLU  56   0.671  -4.247  -4.247
  404   2HB   GLU  56          1HB       GLU  56   1.662  -4.754  -4.754
  405   1HG   GLU  56          2HG       GLU  56  -0.259  -4.412  -4.412
  406   2HG   GLU  56          1HG       GLU  56  -1.240  -3.824  -3.824
  407    H    SER  57           H        SER  57   2.517  -4.081  -4.081
  408    HA   SER  57           HA       SER  57   5.144  -3.117  -3.117
  409   1HB   SER  57          2HB       SER  57   3.886  -1.653  -1.653
  410   2HB   SER  57          1HB       SER  57   4.797  -2.847  -2.847
  411    HG   SER  57           HG       SER  57   6.611  -2.147  -2.147
  412    H    GLY  58           H        GLY  58   6.770  -4.600  -4.600
  413   1HA   GLY  58          1HA       GLY  58   5.880  -6.999  -6.999
  414   2HA   GLY  58          2HA       GLY  58   6.852  -7.107  -7.107
  415    H    ALA  59           H        ALA  59   7.097  -4.686  -4.686
  416    HA   ALA  59           HA       ALA  59   8.997  -4.013  -4.013
  417   1HB   ALA  59          3HB       ALA  59   8.232  -6.061  -6.061
  418   2HB   ALA  59          2HB       ALA  59   9.267  -7.066  -7.066
  419   3HB   ALA  59          1HB       ALA  59  10.005  -5.873  -5.873
  420    H    LYS  60           H        LYS  60   9.492  -4.090  -4.090
  421    HA   LYS  60           HA       LYS  60  12.313  -4.171  -4.171
  422   1HB   LYS  60          2HB       LYS  60  12.799  -6.069  -6.069
  423   2HB   LYS  60          1HB       LYS  60  11.999  -6.603  -6.603
  424   1HG   LYS  60          2HG       LYS  60   9.814  -6.283  -6.283
  425   2HG   LYS  60          1HG       LYS  60  10.998  -6.579  -6.579
  426   1HD   LYS  60          2HD       LYS  60  11.049  -8.409  -8.409
  427   2HD   LYS  60          1HD       LYS  60   9.671  -8.566  -8.566
  428   1HE   LYS  60          2HE       LYS  60  11.362 -10.092 -10.092
  429   2HE   LYS  60          1HE       LYS  60  11.379  -8.713  -8.713
  430   1HZ   LYS  60          1HZ       LYS  60  13.210  -9.111  -9.111
  431   2HZ   LYS  60          3HZ       LYS  60  13.580  -9.353  -9.353
  432   3HZ   LYS  60          2HZ       LYS  60  13.244  -7.825  -7.825
  433    H    GLY  61           H        GLY  61  11.013  -2.072  -2.072
  434   1HA   GLY  61          1HA       GLY  61  11.124  -0.553  -0.553
  435   2HA   GLY  61          2HA       GLY  61  11.174  -1.907  -1.907
  436    HA   PRO  62           HA       PRO  62   6.768  -0.316  -0.316
  437   1HB   PRO  62          2HB       PRO  62   6.625   1.735   1.735
  438   2HB   PRO  62          1HB       PRO  62   6.920   2.015   2.015
  439   1HG   PRO  62          2HG       PRO  62   8.773   2.164   2.164
  440   2HG   PRO  62          1HG       PRO  62   8.927   2.829   2.829
  441   1HD   PRO  62          2HD       PRO  62  10.235   0.518   0.518
  442   2HD   PRO  62          1HD       PRO  62  10.294   1.136   1.136
  443    H    ALA  63           H        ALA  63   5.711  -2.008  -2.008
  444    HA   ALA  63           HA       ALA  63   6.007  -2.596  -2.596
  445   1HB   ALA  63          3HB       ALA  63   6.354  -4.452  -4.452
  446   2HB   ALA  63          2HB       ALA  63   4.717  -4.171  -4.171
  447   3HB   ALA  63          1HB       ALA  63   4.933  -4.753  -4.753
  448    H    ALA  64           H        ALA  64   3.835  -3.602  -3.602
  449    HA   ALA  64           HA       ALA  64   1.412  -2.217  -2.217
  450   1HB   ALA  64          3HB       ALA  64   2.489  -0.616  -0.616
  451   2HB   ALA  64          2HB       ALA  64   2.504  -1.901  -1.901
  452   3HB   ALA  64          1HB       ALA  64   0.954  -1.273  -1.273
  453    H    GLY  65           H        GLY  65   0.276  -4.109  -4.109
  454   1HA   GLY  65          1HA       GLY  65   0.449  -6.330  -6.330
  455   2HA   GLY  65          2HA       GLY  65  -0.678  -6.159  -6.159
  456    H    ASN  66           H        ASN  66  -1.649  -7.238  -7.238
  457    HA   ASN  66           HA       ASN  66  -3.340  -7.000  -7.000
  458   1HB   ASN  66          2HB       ASN  66  -3.792  -4.537  -4.537
  459   2HB   ASN  66          1HB       ASN  66  -4.771  -4.822  -4.822
  460   1HD2  ASN  66          1HD2      ASN  66  -5.932  -4.641  -4.641
  461   2HD2  ASN  66          2HD2      ASN  66  -6.544  -6.214  -6.214
  462    H    VAL  67           H        VAL  67  -2.708  -6.725  -6.725
  463    HA   VAL  67           HA       VAL  67  -1.790  -4.002  -4.002
  464    HB   VAL  67           HB       VAL  67  -0.696  -5.971  -5.971
  465   1HG1  VAL  67          1HG1      VAL  67   0.587  -4.055  -4.055
  466   2HG1  VAL  67          3HG1      VAL  67   1.453  -4.925  -4.925
  467   3HG1  VAL  67          2HG1      VAL  67   0.218  -3.717  -3.717
  468   1HG2  VAL  67          1HG2      VAL  67  -0.877  -7.558  -7.558
  469   2HG2  VAL  67          3HG2      VAL  67   0.834  -7.126  -7.126
  470   3HG2  VAL  67          2HG2      VAL  67  -0.059  -6.416  -6.416
  471    H    THR  68           H        THR  68  -4.322  -6.000  -6.000
  472    HA   THR  68           HA       THR  68  -4.850  -6.297  -6.297
  473    HB   THR  68           HB       THR  68  -5.995  -7.718  -7.718
  474    HG1  THR  68           HG1      THR  68  -7.137  -7.385  -7.385
  475   1HG2  THR  68          2HG2      THR  68  -6.855  -4.984  -4.984
  476   2HG2  THR  68          1HG2      THR  68  -8.062  -6.284  -6.284
  477   3HG2  THR  68          3HG2      THR  68  -6.558  -6.463  -6.463
  478    H    SER  69           H        SER  69  -6.816  -5.191  -5.191
  479    HA   SER  69           HA       SER  69  -6.274  -2.409  -2.409
  480   1HB   SER  69          2HB       SER  69  -8.793  -2.624  -2.624
  481   2HB   SER  69          1HB       SER  69  -7.289  -2.953  -2.953
  482    HG   SER  69           HG       SER  69  -9.143  -4.759  -4.759
  483    H    LEU  70           H        LEU  70  -7.838  -0.610  -0.610
  484    HA   LEU  70           HA       LEU  70  -8.477  -0.399  -0.399
  485   1HB   LEU  70          2HB       LEU  70 -10.317   1.241   1.241
  486   2HB   LEU  70          1HB       LEU  70  -8.578   1.592   1.592
  487    HG   LEU  70           HG       LEU  70  -8.399   0.956   0.956
  488   1HD1  LEU  70          1HD1      LEU  70 -11.382   0.349   0.349
  489   2HD1  LEU  70          3HD1      LEU  70 -10.392   0.391   0.391
  490   3HD1  LEU  70          2HD1      LEU  70 -10.062  -0.817  -0.817
  491   1HD2  LEU  70          1HD2      LEU  70  -8.978   3.299   3.299
  492   2HD2  LEU  70          3HD2      LEU  70  -9.762   2.758   2.758
  493   3HD2  LEU  70          2HD2      LEU  70 -10.708   2.905   2.905

  Start of MODEL   16
    1    H    SER   2           H        SER   2 -13.219   2.210   2.210
    2    HA   SER   2           HA       SER   2 -14.883   0.450   0.450
    3   1HB   SER   2          2HB       SER   2 -14.997  -0.244  -0.244
    4   2HB   SER   2          1HB       SER   2 -13.748  -1.371  -1.371
    5    HG   SER   2           HG       SER   2 -15.253  -2.090  -2.090
    6    H    GLY   3           H        GLY   3 -12.434   1.690   1.690
    7   1HA   GLY   3          1HA       GLY   3 -10.690   1.136   1.136
    8   2HA   GLY   3          2HA       GLY   3 -10.995  -0.588  -0.588
    9    H    LYS   4           H        LYS   4 -10.852  -0.721  -0.721
   10    HA   LYS   4           HA       LYS   4  -8.022  -0.731  -0.731
   11   1HB   LYS   4          2HB       LYS   4 -10.402  -1.437  -1.437
   12   2HB   LYS   4          1HB       LYS   4  -8.877  -1.146  -1.146
   13   1HG   LYS   4          2HG       LYS   4  -8.596  -3.387  -3.387
   14   2HG   LYS   4          1HG       LYS   4  -7.939  -2.716  -2.716
   15   1HD   LYS   4          2HD       LYS   4 -10.726  -2.868  -2.868
   16   2HD   LYS   4          1HD       LYS   4 -10.310  -4.370  -4.370
   17   1HE   LYS   4          2HE       LYS   4  -8.852  -5.071  -5.071
   18   2HE   LYS   4          1HE       LYS   4  -8.633  -3.422  -3.422
   19   1HZ   LYS   4          1HZ       LYS   4 -11.114  -5.020  -5.020
   20   2HZ   LYS   4          3HZ       LYS   4 -10.039  -4.736  -4.736
   21   3HZ   LYS   4          2HZ       LYS   4 -10.912  -3.482  -3.482
   22    H    MET   5           H        MET   5  -6.852   0.399   0.399
   23    HA   MET   5           HA       MET   5  -7.990   3.126   3.126
   24   1HB   MET   5          2HB       MET   5  -5.220   3.416   3.416
   25   2HB   MET   5          1HB       MET   5  -6.290   3.906   3.906
   26   1HG   MET   5          2HG       MET   5  -5.219   1.070   1.070
   27   2HG   MET   5          1HG       MET   5  -4.257   2.358   2.358
   28   1HE   MET   5          1HE       MET   5  -5.376   3.990   3.990
   29   2HE   MET   5          3HE       MET   5  -5.804   2.979   2.979
   30   3HE   MET   5          2HE       MET   5  -4.297   2.680   2.680
   31    H    THR   6           H        THR   6  -7.382   4.128   4.128
   32    HA   THR   6           HA       THR   6  -6.746   2.127   2.127
   33    HB   THR   6           HB       THR   6  -7.692   3.827   3.827
   34    HG1  THR   6           HG1      THR   6  -6.560   5.467   5.467
   35   1HG2  THR   6          2HG2      THR   6  -9.101   3.331   3.331
   36   2HG2  THR   6          1HG2      THR   6  -9.749   4.607   4.607
   37   3HG2  THR   6          3HG2      THR   6  -9.666   2.939   2.939
   38    H    GLY   7           H        GLY   7  -5.113   2.563   2.563
   39   1HA   GLY   7          1HA       GLY   7  -3.223   4.720   4.720
   40   2HA   GLY   7          2HA       GLY   7  -2.586   3.235   3.235
   41    H    ILE   8           H        ILE   8  -2.349   4.988   4.988
   42    HA   ILE   8           HA       ILE   8  -2.714   2.790   2.790
   43    HB   ILE   8           HB       ILE   8  -2.790   4.282   4.282
   44   1HG1  ILE   8          2HG1      ILE   8  -0.849   6.098   6.098
   45   2HG1  ILE   8          1HG1      ILE   8  -0.425   4.953   4.953
   46   1HG2  ILE   8          1HG2      ILE   8  -3.299   6.074   6.074
   47   2HG2  ILE   8          3HG2      ILE   8  -3.803   6.436   6.436
   48   3HG2  ILE   8          2HG2      ILE   8  -4.478   5.032   5.032
   49   1HD1  ILE   8          1HD1      ILE   8  -2.308   7.349   7.349
   50   2HD1  ILE   8          3HD1      ILE   8  -0.626   7.260   7.260
   51   3HD1  ILE   8          2HD1      ILE   8  -1.877   6.220   6.220
   52    H    VAL   9           H        VAL   9  -0.940   2.105   2.105
   53    HA   VAL   9           HA       VAL   9   1.651   2.224   2.224
   54    HB   VAL   9           HB       VAL   9   0.608   0.052   0.052
   55   1HG1  VAL   9          1HG1      VAL   9   0.886   0.405   0.405
   56   2HG1  VAL   9          3HG1      VAL   9   0.450  -1.117  -1.117
   57   3HG1  VAL   9          2HG1      VAL   9  -0.629   0.289   0.289
   58   1HG2  VAL   9          1HG2      VAL   9   3.060   0.187   0.187
   59   2HG2  VAL   9          3HG2      VAL   9   2.556  -1.186  -1.186
   60   3HG2  VAL   9          2HG2      VAL   9   3.142   0.315   0.315
   61    H    LYS  10           H        LYS  10   3.625   2.481   2.481
   62    HA   LYS  10           HA       LYS  10   3.226   3.401   3.401
   63   1HB   LYS  10          2HB       LYS  10   4.201   5.087   5.087
   64   2HB   LYS  10          1HB       LYS  10   4.883   5.340   5.340
   65   1HG   LYS  10          2HG       LYS  10   1.957   5.065   5.065
   66   2HG   LYS  10          1HG       LYS  10   2.490   6.405   6.405
   67   1HD   LYS  10          2HD       LYS  10   3.567   6.008   6.008
   68   2HD   LYS  10          1HD       LYS  10   2.065   6.903   6.903
   69   1HE   LYS  10          2HE       LYS  10   3.270   8.499   8.499
   70   2HE   LYS  10          1HE       LYS  10   4.760   7.546   7.546
   71   1HZ   LYS  10          1HZ       LYS  10   3.340   8.877   8.877
   72   2HZ   LYS  10          3HZ       LYS  10   4.740   9.413   9.413
   73   3HZ   LYS  10          2HZ       LYS  10   4.744   7.999   7.999
   74    H    TRP  11           H        TRP  11   4.946   1.718   1.718
   75    HA   TRP  11           HA       TRP  11   7.401   1.604   1.604
   76   1HB   TRP  11          2HB       TRP  11   6.980   0.338   0.338
   77   2HB   TRP  11          1HB       TRP  11   8.506   0.732   0.732
   78    HD1  TRP  11           HD1      TRP  11   5.406   2.915   2.915
   79    HE1  TRP  11           HE1      TRP  11   6.175   4.962   4.962
   80    HE3  TRP  11           HE3      TRP  11  10.435   2.023   2.023
   81    HZ2  TRP  11           HZ2      TRP  11   8.821   6.216   6.216
   82    HZ3  TRP  11           HZ3      TRP  11  11.981   3.763   3.763
   83    HH2  TRP  11           HH2      TRP  11  11.246   5.764   5.764
   84    H    PHE  12           H        PHE  12   7.466  -1.176  -1.176
   85    HA   PHE  12           HA       PHE  12   6.880  -3.417  -3.417
   86   1HB   PHE  12          2HB       PHE  12   4.731  -3.599  -3.599
   87   2HB   PHE  12          1HB       PHE  12   4.691  -1.938  -1.938
   88    HD1  PHE  12           HD2      PHE  12   5.890  -5.302  -5.302
   89    HD2  PHE  12           HD1      PHE  12   3.977  -1.538  -1.538
   90    HE1  PHE  12           HE2      PHE  12   5.500  -6.071  -6.071
   91    HE2  PHE  12           HE1      PHE  12   3.590  -2.315  -2.315
   92    HZ   PHE  12           HZ       PHE  12   4.351  -4.580  -4.580
   93    H    ASN  13           H        ASN  13   8.577  -4.484  -4.484
   94    HA   ASN  13           HA       ASN  13   9.042  -4.154  -4.154
   95   1HB   ASN  13          2HB       ASN  13  10.943  -2.985  -2.985
   96   2HB   ASN  13          1HB       ASN  13  10.914  -3.537  -3.537
   97   1HD2  ASN  13          1HD2      ASN  13  11.700  -5.631  -5.631
   98   2HD2  ASN  13          2HD2      ASN  13  12.919  -6.423  -6.423
   99    H    ALA  14           H        ALA  14   9.477  -6.071  -6.071
  100    HA   ALA  14           HA       ALA  14   9.498  -8.535  -8.535
  101   1HB   ALA  14          3HB       ALA  14   7.708  -8.298  -8.298
  102   2HB   ALA  14          2HB       ALA  14   8.973  -8.120  -8.120
  103   3HB   ALA  14          1HB       ALA  14   8.814  -9.655  -9.655
  104    H    ASP  15           H        ASP  15  11.702  -6.458  -6.458
  105    HA   ASP  15           HA       ASP  15  13.376  -8.403  -8.403
  106   1HB   ASP  15          2HB       ASP  15  13.127  -5.735  -5.735
  107   2HB   ASP  15          1HB       ASP  15  14.403  -5.788  -5.788
  108    H    LYS  16           H        LYS  16  13.907  -6.218  -6.218
  109    HA   LYS  16           HA       LYS  16  15.998  -7.990  -7.990
  110   1HB   LYS  16          2HB       LYS  16  16.426  -6.353  -6.353
  111   2HB   LYS  16          1HB       LYS  16  16.075  -5.492  -5.492
  112   1HG   LYS  16          2HG       LYS  16  14.156  -4.572  -4.572
  113   2HG   LYS  16          1HG       LYS  16  13.708  -6.054  -6.054
  114   1HD   LYS  16          2HD       LYS  16  14.298  -3.982  -3.982
  115   2HD   LYS  16          1HD       LYS  16  15.088  -5.510  -5.510
  116   1HE   LYS  16          2HE       LYS  16  16.573  -3.393  -3.393
  117   2HE   LYS  16          1HE       LYS  16  17.154  -4.832  -4.832
  118   1HZ   LYS  16          1HZ       LYS  16  15.676  -2.576  -2.576
  119   2HZ   LYS  16          3HZ       LYS  16  17.318  -2.859  -2.859
  120   3HZ   LYS  16          2HZ       LYS  16  16.231  -3.912  -3.912
  121    H    GLY  17           H        GLY  17  12.554  -7.573  -7.573
  122   1HA   GLY  17          1HA       GLY  17  11.146  -9.171  -9.171
  123   2HA   GLY  17          2HA       GLY  17  12.537  -9.873  -9.873
  124    H    PHE  18           H        PHE  18  10.602  -6.809  -6.809
  125    HA   PHE  18           HA       PHE  18  10.045  -6.716  -6.716
  126   1HB   PHE  18          2HB       PHE  18  11.694  -5.501  -5.501
  127   2HB   PHE  18          1HB       PHE  18  12.654  -6.084  -6.084
  128    HD1  PHE  18           HD1      PHE  18  11.686  -4.504  -4.504
  129    HD2  PHE  18           HD2      PHE  18  12.421  -3.293  -3.293
  130    HE1  PHE  18           HE1      PHE  18  12.098  -2.175  -2.175
  131    HE2  PHE  18           HE2      PHE  18  12.830  -0.964  -0.964
  132    HZ   PHE  18           HZ       PHE  18  12.670  -0.402  -0.402
  133    H    GLY  19           H        GLY  19   8.947  -4.646  -4.646
  134   1HA   GLY  19          1HA       GLY  19   8.228  -2.869  -2.869
  135   2HA   GLY  19          2HA       GLY  19   6.911  -3.881  -3.881
  136    H    PHE  20           H        PHE  20   6.590  -1.168  -1.168
  137    HA   PHE  20           HA       PHE  20   6.708  -0.758  -0.758
  138   1HB   PHE  20          2HB       PHE  20   8.453   0.597   0.597
  139   2HB   PHE  20          1HB       PHE  20   7.476   1.706   1.706
  140    HD1  PHE  20           HD1      PHE  20   7.556   1.599   1.599
  141    HD2  PHE  20           HD2      PHE  20  10.379  -0.471  -0.471
  142    HE1  PHE  20           HE1      PHE  20   9.133   1.399   1.399
  143    HE2  PHE  20           HE2      PHE  20  11.951  -0.666  -0.666
  144    HZ   PHE  20           HZ       PHE  20  11.332   0.268   0.268
  145    H    ILE  21           H        ILE  21   4.774   0.027   0.027
  146    HA   ILE  21           HA       ILE  21   2.955   0.988   0.988
  147    HB   ILE  21           HB       ILE  21   2.699  -0.046  -0.046
  148   1HG1  ILE  21          2HG1      ILE  21   2.270  -1.044  -1.044
  149   2HG1  ILE  21          1HG1      ILE  21   1.750  -1.798  -1.798
  150   1HG2  ILE  21          1HG2      ILE  21   0.562   1.668   1.668
  151   2HG2  ILE  21          3HG2      ILE  21   0.311   0.652   0.652
  152   3HG2  ILE  21          2HG2      ILE  21   1.433   2.027   2.027
  153   1HD1  ILE  21          1HD1      ILE  21   0.110   0.174   0.174
  154   2HD1  ILE  21          3HD1      ILE  21  -0.132  -1.593  -1.593
  155   3HD1  ILE  21          2HD1      ILE  21  -0.425  -0.590  -0.590
  156    H    THR  22           H        THR  22   1.485   2.930   2.930
  157    HA   THR  22           HA       THR  22   3.042   4.952   4.952
  158    HB   THR  22           HB       THR  22   2.455   4.986   4.986
  159    HG1  THR  22           HG1      THR  22   4.441   4.999   4.999
  160   1HG2  THR  22          2HG2      THR  22   1.849   7.240   7.240
  161   2HG2  THR  22          1HG2      THR  22   2.793   7.635   7.635
  162   3HG2  THR  22          3HG2      THR  22   1.161   6.960   6.960
  163    HA   PRO  23           HA       PRO  23  -1.265   5.017   5.017
  164   1HB   PRO  23          2HB       PRO  23  -0.587   5.756   5.756
  165   2HB   PRO  23          1HB       PRO  23  -0.740   4.078   4.078
  166   1HG   PRO  23          2HG       PRO  23   1.668   5.645   5.645
  167   2HG   PRO  23          1HG       PRO  23   1.458   3.888   3.888
  168   1HD   PRO  23          2HD       PRO  23   2.675   5.656   5.656
  169   2HD   PRO  23          1HD       PRO  23   2.362   3.918   3.918
  170    H    ASP  24           H        ASP  24  -2.552   6.682   6.682
  171    HA   ASP  24           HA       ASP  24  -1.709   9.232   9.232
  172   1HB   ASP  24          2HB       ASP  24  -4.073   9.892   9.892
  173   2HB   ASP  24          1HB       ASP  24  -3.920   8.939   8.939
  174    H    ASP  25           H        ASP  25  -3.374   8.487   8.487
  175    HA   ASP  25           HA       ASP  25  -2.570  10.905  10.905
  176   1HB   ASP  25          2HB       ASP  25  -4.375   9.467   9.467
  177   2HB   ASP  25          1HB       ASP  25  -3.203   8.177   8.177
  178    H    GLY  26           H        GLY  26  -0.987   7.731   7.731
  179   1HA   GLY  26          1HA       GLY  26   1.203   8.516   8.516
  180   2HA   GLY  26          2HA       GLY  26   0.982   6.943   6.943
  181    H    SER  27           H        SER  27   1.673  10.432  10.432
  182    HA   SER  27           HA       SER  27   2.461  10.332  10.332
  183   1HB   SER  27          2HB       SER  27   3.067  11.996  11.996
  184   2HB   SER  27          1HB       SER  27   4.521  11.800  11.800
  185    HG   SER  27           HG       SER  27   2.491  13.419  13.419
  186    H    LYS  28           H        LYS  28   4.139   8.928   8.928
  187    HA   LYS  28           HA       LYS  28   6.637   8.495   8.495
  188   1HB   LYS  28          2HB       LYS  28   5.195   7.274   7.274
  189   2HB   LYS  28          1HB       LYS  28   6.704   6.542   6.542
  190   1HG   LYS  28          2HG       LYS  28   7.466   8.080   8.080
  191   2HG   LYS  28          1HG       LYS  28   7.623   8.999   8.999
  192   1HD   LYS  28          2HD       LYS  28   6.029  10.499  10.499
  193   2HD   LYS  28          1HD       LYS  28   4.960   9.228   9.228
  194   1HE   LYS  28          2HE       LYS  28   5.622   9.657   9.657
  195   2HE   LYS  28          1HE       LYS  28   7.331   9.501   9.501
  196   1HZ   LYS  28          1HZ       LYS  28   5.659  11.913  11.913
  197   2HZ   LYS  28          3HZ       LYS  28   6.812  11.682  11.682
  198   3HZ   LYS  28          2HZ       LYS  28   7.263  11.782  11.782
  199    H    ASP  29           H        ASP  29   7.197   5.751   5.751
  200    HA   ASP  29           HA       ASP  29   5.269   4.513   4.513
  201   1HB   ASP  29          2HB       ASP  29   7.474   3.594   3.594
  202   2HB   ASP  29          1HB       ASP  29   6.799   5.155   5.155
  203    H    VAL  30           H        VAL  30   5.101   2.272   2.272
  204    HA   VAL  30           HA       VAL  30   6.788   1.098   1.098
  205    HB   VAL  30           HB       VAL  30   4.872  -0.419  -0.419
  206   1HG1  VAL  30          1HG1      VAL  30   4.401   2.563   2.563
  207   2HG1  VAL  30          3HG1      VAL  30   3.561   1.245   1.245
  208   3HG1  VAL  30          2HG1      VAL  30   5.311   1.465   1.465
  209   1HG2  VAL  30          1HG2      VAL  30   3.671  -0.136  -0.136
  210   2HG2  VAL  30          3HG2      VAL  30   2.618   0.321   0.321
  211   3HG2  VAL  30          2HG2      VAL  30   3.377   1.576   1.576
  212    H    PHE  31           H        PHE  31   7.556  -1.059  -1.059
  213    HA   PHE  31           HA       PHE  31   8.109  -1.779  -1.779
  214   1HB   PHE  31          2HB       PHE  31   9.200  -3.743  -3.743
  215   2HB   PHE  31          1HB       PHE  31   9.802  -2.176  -2.176
  216    HD1  PHE  31           HD1      PHE  31   8.882  -1.163  -1.163
  217    HD2  PHE  31           HD2      PHE  31   8.473  -5.325  -5.325
  218    HE1  PHE  31           HE1      PHE  31   8.502  -1.764  -1.764
  219    HE2  PHE  31           HE2      PHE  31   8.094  -5.915  -5.915
  220    HZ   PHE  31           HZ       PHE  31   8.107  -4.138  -4.138
  221    H    VAL  32           H        VAL  32   7.294  -3.504  -3.504
  222    HA   VAL  32           HA       VAL  32   5.342  -5.295  -5.295
  223    HB   VAL  32           HB       VAL  32   3.693  -3.870  -3.870
  224   1HG1  VAL  32          1HG1      VAL  32   5.234  -2.662  -2.662
  225   2HG1  VAL  32          3HG1      VAL  32   3.650  -2.093  -2.093
  226   3HG1  VAL  32          2HG1      VAL  32   5.084  -1.981  -1.981
  227   1HG2  VAL  32          1HG2      VAL  32   3.211  -5.763  -5.763
  228   2HG2  VAL  32          3HG2      VAL  32   2.568  -4.252  -4.252
  229   3HG2  VAL  32          2HG2      VAL  32   4.065  -4.962  -4.962
  230    H    HIS  33           H        HIS  33   4.478  -6.868  -6.868
  231    HA   HIS  33           HA       HIS  33   6.489  -7.138  -7.138
  232   1HB   HIS  33          2HB       HIS  33   6.377  -8.757  -8.757
  233   2HB   HIS  33          1HB       HIS  33   5.855  -9.746  -9.746
  234    HD1  HIS  33           HD1      HIS  33   7.708  -9.753  -9.753
  235    HD2  HIS  33           HD2      HIS  33   9.202  -8.490  -8.490
  236    HE1  HIS  33           HE1      HIS  33  10.078  -9.857  -9.857
  237    H    PHE  34           H        PHE  34   5.753  -8.511  -8.511
  238    HA   PHE  34           HA       PHE  34   3.166  -7.952  -7.952
  239   1HB   PHE  34          2HB       PHE  34   3.541  -9.705  -9.705
  240   2HB   PHE  34          1HB       PHE  34   5.013  -8.780  -8.780
  241    HD1  PHE  34           HD1      PHE  34   7.014  -9.749  -9.749
  242    HD2  PHE  34           HD2      PHE  34   3.413 -12.074 -12.074
  243    HE1  PHE  34           HE1      PHE  34   8.285 -11.834 -11.834
  244    HE2  PHE  34           HE2      PHE  34   4.692 -14.157 -14.157
  245    HZ   PHE  34           HZ       PHE  34   7.128 -14.040 -14.040
  246    H    SER  35           H        SER  35   4.177 -10.189 -10.189
  247    HA   SER  35           HA       SER  35   1.727 -11.789 -11.789
  248   1HB   SER  35          2HB       SER  35   3.807 -12.935 -12.935
  249   2HB   SER  35          1HB       SER  35   4.009 -11.879 -11.879
  250    HG   SER  35           HG       SER  35   1.756 -13.587 -13.587
  251    H    ALA  36           H        ALA  36   1.194  -9.052  -9.052
  252    HA   ALA  36           HA       ALA  36  -0.090  -9.120  -9.120
  253   1HB   ALA  36          3HB       ALA  36   2.006  -7.719  -7.719
  254   2HB   ALA  36          2HB       ALA  36   1.425  -6.756  -6.756
  255   3HB   ALA  36          1HB       ALA  36   0.531  -6.725  -6.725
  256    H    ILE  37           H        ILE  37   0.156  -7.973  -7.973
  257    HA   ILE  37           HA       ILE  37  -2.129  -6.286  -6.286
  258    HB   ILE  37           HB       ILE  37  -0.487  -6.036  -6.036
  259   1HG1  ILE  37          2HG1      ILE  37  -3.223  -6.051  -6.051
  260   2HG1  ILE  37          1HG1      ILE  37  -1.987  -5.252  -5.252
  261   1HG2  ILE  37          1HG2      ILE  37  -1.237  -8.814  -8.814
  262   2HG2  ILE  37          3HG2      ILE  37  -0.152  -7.676  -7.676
  263   3HG2  ILE  37          2HG2      ILE  37   0.300  -8.328  -8.328
  264   1HD1  ILE  37          1HD1      ILE  37  -3.009  -8.112  -8.112
  265   2HD1  ILE  37          3HD1      ILE  37  -3.450  -6.700  -6.700
  266   3HD1  ILE  37          2HD1      ILE  37  -1.785  -7.316  -7.316
  267    H    GLN  38           H        GLN  38  -2.214  -9.228  -9.228
  268    HA   GLN  38           HA       GLN  38  -3.861 -10.824 -10.824
  269   1HB   GLN  38          2HB       GLN  38  -3.344 -11.926 -11.926
  270   2HB   GLN  38          1HB       GLN  38  -3.411 -10.452 -10.452
  271   1HG   GLN  38          2HG       GLN  38  -6.045 -11.166 -11.166
  272   2HG   GLN  38          1HG       GLN  38  -5.336 -12.508 -12.508
  273   1HE2  GLN  38          1HE2      GLN  38  -4.400  -9.212  -9.212
  274   2HE2  GLN  38          2HE2      GLN  38  -5.222  -8.989  -8.989
  275    H    ASN  39           H        ASN  39  -5.505  -9.993  -9.993
  276    HA   ASN  39           HA       ASN  39  -7.653  -8.539  -8.539
  277   1HB   ASN  39          2HB       ASN  39  -6.280  -7.173  -7.173
  278   2HB   ASN  39          1HB       ASN  39  -7.029  -8.210  -8.210
  279   1HD2  ASN  39          1HD2      ASN  39  -8.361  -7.014  -7.014
  280   2HD2  ASN  39          2HD2      ASN  39  -9.673  -6.050  -6.050
  281    H    ASP  40           H        ASP  40  -9.591  -8.512  -8.512
  282    HA   ASP  40           HA       ASP  40 -10.891 -10.926 -10.926
  283   1HB   ASP  40          2HB       ASP  40 -11.850 -10.359 -10.359
  284   2HB   ASP  40          1HB       ASP  40 -12.163  -9.262  -9.262
  285    H    GLY  41           H        GLY  41  -8.479  -9.987  -9.987
  286   1HA   GLY  41          1HA       GLY  41  -7.669 -12.746 -12.746
  287   2HA   GLY  41          2HA       GLY  41  -8.634 -12.149 -12.149
  288    H    TYR  42           H        TYR  42  -7.768  -9.325  -9.325
  289    HA   TYR  42           HA       TYR  42  -5.603  -9.326  -9.326
  290   1HB   TYR  42          1HB       TYR  42  -7.136  -7.377  -7.377
  291   2HB   TYR  42          2HB       TYR  42  -5.722  -7.155  -7.155
  292    HD1  TYR  42           HD1      TYR  42  -6.512  -7.562  -7.562
  293    HD2  TYR  42           HD2      TYR  42  -4.075  -5.654  -5.654
  294    HE1  TYR  42           HE1      TYR  42  -5.396  -6.209  -6.209
  295    HE2  TYR  42           HE2      TYR  42  -2.961  -4.302  -4.302
  296    HH   TYR  42           HH       TYR  42  -3.996  -4.332  -4.332
  297    H    LYS  43           H        LYS  43  -3.550 -10.042 -10.042
  298    HA   LYS  43           HA       LYS  43  -2.394 -10.215 -10.215
  299   1HB   LYS  43          2HB       LYS  43  -2.879 -12.308 -12.308
  300   2HB   LYS  43          1HB       LYS  43  -1.258 -11.884 -11.884
  301   1HG   LYS  43          2HG       LYS  43  -0.629 -13.239 -13.239
  302   2HG   LYS  43          1HG       LYS  43  -0.815 -11.731 -11.731
  303   1HD   LYS  43          2HD       LYS  43  -3.251 -13.440 -13.440
  304   2HD   LYS  43          1HD       LYS  43  -2.009 -14.038 -14.038
  305   1HE   LYS  43          2HE       LYS  43  -3.404 -11.324 -11.324
  306   2HE   LYS  43          1HE       LYS  43  -3.703 -12.699 -12.699
  307   1HZ   LYS  43          1HZ       LYS  43  -1.142 -11.253 -11.253
  308   2HZ   LYS  43          3HZ       LYS  43  -2.221 -11.093 -11.093
  309   3HZ   LYS  43          2HZ       LYS  43  -1.417 -12.527 -12.527
  310    H    SER  44           H        SER  44  -0.304  -9.407  -9.407
  311    HA   SER  44           HA       SER  44   1.645  -8.304  -8.304
  312   1HB   SER  44          2HB       SER  44   1.076  -7.853  -7.853
  313   2HB   SER  44          1HB       SER  44   2.601  -8.256  -8.256
  314    HG   SER  44           HG       SER  44   1.430  -9.935  -9.935
  315    H    LEU  45           H        LEU  45   2.035  -6.151  -6.151
  316    HA   LEU  45           HA       LEU  45  -0.193  -4.389  -4.389
  317   1HB   LEU  45          2HB       LEU  45   2.749  -3.878  -3.878
  318   2HB   LEU  45          1HB       LEU  45   1.480  -2.667  -2.667
  319    HG   LEU  45           HG       LEU  45   2.378  -3.712  -3.712
  320   1HD1  LEU  45          1HD1      LEU  45  -0.579  -4.194  -4.194
  321   2HD1  LEU  45          3HD1      LEU  45   0.175  -4.148  -4.148
  322   3HD1  LEU  45          2HD1      LEU  45   0.165  -2.697  -2.697
  323   1HD2  LEU  45          1HD2      LEU  45   2.784  -5.988  -5.988
  324   2HD2  LEU  45          3HD2      LEU  45   1.684  -6.037  -6.037
  325   3HD2  LEU  45          2HD2      LEU  45   1.043  -6.243  -6.243
  326    H    ASP  46           H        ASP  46  -0.140  -2.144  -2.144
  327    HA   ASP  46           HA       ASP  46   0.730  -2.513  -2.513
  328   1HB   ASP  46          2HB       ASP  46  -1.809  -2.093  -2.093
  329   2HB   ASP  46          1HB       ASP  46  -1.258  -0.432  -0.432
  330    H    GLU  47           H        GLU  47   2.207  -1.410  -1.410
  331    HA   GLU  47           HA       GLU  47   3.236   0.533   0.533
  332   1HB   GLU  47          2HB       GLU  47   4.768   1.411   1.411
  333   2HB   GLU  47          1HB       GLU  47   4.788  -0.357  -0.357
  334   1HG   GLU  47          2HG       GLU  47   3.388  -0.594  -0.594
  335   2HG   GLU  47          1HG       GLU  47   3.064   1.150   1.150
  336    H    GLY  48           H        GLY  48   0.605   1.179   1.179
  337   1HA   GLY  48          1HA       GLY  48   0.267   3.808   3.808
  338   2HA   GLY  48          2HA       GLY  48   0.312   3.592   3.592
  339    H    GLN  49           H        GLN  49  -1.387   2.711   2.711
  340    HA   GLN  49           HA       GLN  49  -3.932   2.833   2.833
  341   1HB   GLN  49          2HB       GLN  49  -4.485   0.319   0.319
  342   2HB   GLN  49          1HB       GLN  49  -3.677   0.785   0.785
  343   1HG   GLN  49          2HG       GLN  49  -1.792  -0.368  -0.368
  344   2HG   GLN  49          1HG       GLN  49  -1.800   0.239   0.239
  345   1HE2  GLN  49          1HE2      GLN  49  -4.348  -1.482  -1.482
  346   2HE2  GLN  49          2HE2      GLN  49  -4.387  -2.932  -2.932
  347    H    LYS  50           H        LYS  50  -5.576   2.869   2.869
  348    HA   LYS  50           HA       LYS  50  -4.577   3.101   3.101
  349   1HB   LYS  50          2HB       LYS  50  -6.325   4.580   4.580
  350   2HB   LYS  50          1HB       LYS  50  -7.476   3.279   3.279
  351   1HG   LYS  50          2HG       LYS  50  -7.618   3.933   3.933
  352   2HG   LYS  50          1HG       LYS  50  -5.852   3.914   3.914
  353   1HD   LYS  50          2HD       LYS  50  -6.273   6.168   6.168
  354   2HD   LYS  50          1HD       LYS  50  -6.047   6.179   6.179
  355   1HE   LYS  50          2HE       LYS  50  -8.056   7.457   7.457
  356   2HE   LYS  50          1HE       LYS  50  -8.529   5.979   5.979
  357   1HZ   LYS  50          1HZ       LYS  50  -8.534   6.349   6.349
  358   2HZ   LYS  50          3HZ       LYS  50  -9.875   6.361   6.361
  359   3HZ   LYS  50          2HZ       LYS  50  -8.992   4.968   4.968
  360    H    VAL  51           H        VAL  51  -4.764   1.650   1.650
  361    HA   VAL  51           HA       VAL  51  -6.625  -0.597  -0.597
  362    HB   VAL  51           HB       VAL  51  -5.121  -2.303  -2.303
  363   1HG1  VAL  51          1HG1      VAL  51  -3.867  -0.144  -0.144
  364   2HG1  VAL  51          3HG1      VAL  51  -3.571  -1.897  -1.897
  365   3HG1  VAL  51          2HG1      VAL  51  -5.190  -1.238  -1.238
  366   1HG2  VAL  51          1HG2      VAL  51  -3.617  -1.520  -1.520
  367   2HG2  VAL  51          3HG2      VAL  51  -2.669  -2.070  -2.070
  368   3HG2  VAL  51          2HG2      VAL  51  -2.889  -0.336  -0.336
  369    H    SER  52           H        SER  52  -6.688  -1.918  -1.918
  370    HA   SER  52           HA       SER  52  -6.555  -0.074  -0.074
  371   1HB   SER  52          2HB       SER  52  -8.155  -1.389  -1.389
  372   2HB   SER  52          1HB       SER  52  -8.102  -2.312  -2.312
  373    HG   SER  52           HG       SER  52  -7.766  -3.747  -3.747
  374    H    PHE  53           H        PHE  53  -5.545  -0.770  -0.770
  375    HA   PHE  53           HA       PHE  53  -3.274  -2.652  -2.652
  376   1HB   PHE  53          2HB       PHE  53  -1.527  -1.164  -1.164
  377   2HB   PHE  53          1HB       PHE  53  -2.579  -0.413  -0.413
  378    HD1  PHE  53           HD1      PHE  53  -2.044  -0.324  -0.324
  379    HD2  PHE  53           HD2      PHE  53  -2.984   1.874   1.874
  380    HE1  PHE  53           HE1      PHE  53  -2.078   1.795   1.795
  381    HE2  PHE  53           HE2      PHE  53  -3.015   3.989   3.989
  382    HZ   PHE  53           HZ       PHE  53  -2.561   3.954   3.954
  383    H    THR  54           H        THR  54  -2.592  -3.261  -3.261
  384    HA   THR  54           HA       THR  54  -3.779  -1.780  -1.780
  385    HB   THR  54           HB       THR  54  -4.901  -3.706  -3.706
  386    HG1  THR  54           HG1      THR  54  -3.348  -5.189  -5.189
  387   1HG2  THR  54          2HG2      THR  54  -4.903  -3.686  -3.686
  388   2HG2  THR  54          1HG2      THR  54  -5.555  -5.124  -5.124
  389   3HG2  THR  54          3HG2      THR  54  -6.293  -3.537  -3.537
  390    H    ILE  55           H        ILE  55  -1.192  -1.386  -1.386
  391    HA   ILE  55           HA       ILE  55   0.856  -2.970  -2.970
  392    HB   ILE  55           HB       ILE  55   0.982  -0.466  -0.466
  393   1HG1  ILE  55          2HG1      ILE  55  -0.623   0.139   0.139
  394   2HG1  ILE  55          1HG1      ILE  55   0.928   0.959   0.959
  395   1HG2  ILE  55          1HG2      ILE  55   2.686  -1.684  -1.684
  396   2HG2  ILE  55          3HG2      ILE  55   3.061  -0.172  -0.172
  397   3HG2  ILE  55          2HG2      ILE  55   3.019  -1.717  -1.717
  398   1HD1  ILE  55          1HD1      ILE  55  -0.007  -1.587  -1.587
  399   2HD1  ILE  55          3HD1      ILE  55   0.024   0.054   0.054
  400   3HD1  ILE  55          2HD1      ILE  55   1.541  -0.765  -0.765
  401    H    GLU  56           H        GLU  56   1.866  -4.052  -4.052
  402    HA   GLU  56           HA       GLU  56   0.358  -3.983  -3.983
  403   1HB   GLU  56          2HB       GLU  56   1.764  -6.231  -6.231
  404   2HB   GLU  56          1HB       GLU  56   1.496  -6.310  -6.310
  405   1HG   GLU  56          2HG       GLU  56  -0.990  -5.583  -5.583
  406   2HG   GLU  56          1HG       GLU  56  -0.463  -6.432  -6.432
  407    H    SER  57           H        SER  57   1.606  -4.180  -4.180
  408    HA   SER  57           HA       SER  57   4.224  -2.859  -2.859
  409   1HB   SER  57          2HB       SER  57   4.052  -2.266  -2.266
  410   2HB   SER  57          1HB       SER  57   2.443  -2.008  -2.008
  411    HG   SER  57           HG       SER  57   3.081  -4.483  -4.483
  412    H    GLY  58           H        GLY  58   6.174  -3.810  -3.810
  413   1HA   GLY  58          1HA       GLY  58   6.495  -6.078  -6.078
  414   2HA   GLY  58          2HA       GLY  58   6.403  -6.632  -6.632
  415    H    ALA  59           H        ALA  59   7.949  -4.007  -4.007
  416    HA   ALA  59           HA       ALA  59  10.437  -4.001  -4.001
  417   1HB   ALA  59          3HB       ALA  59  10.667  -5.705  -5.705
  418   2HB   ALA  59          2HB       ALA  59  10.155  -4.474  -4.474
  419   3HB   ALA  59          1HB       ALA  59  11.682  -4.267  -4.267
  420    H    LYS  60           H        LYS  60  11.895  -2.469  -2.469
  421    HA   LYS  60           HA       LYS  60  10.347   0.028   0.028
  422   1HB   LYS  60          2HB       LYS  60  13.217  -0.690  -0.690
  423   2HB   LYS  60          1HB       LYS  60  12.827   0.836   0.836
  424   1HG   LYS  60          2HG       LYS  60  11.897   1.778   1.778
  425   2HG   LYS  60          1HG       LYS  60  11.560   0.194   0.194
  426   1HD   LYS  60          2HD       LYS  60  14.212  -0.025  -0.025
  427   2HD   LYS  60          1HD       LYS  60  14.145   1.747   1.747
  428   1HE   LYS  60          2HE       LYS  60  12.624   1.653   1.653
  429   2HE   LYS  60          1HE       LYS  60  13.008  -0.077  -0.077
  430   1HZ   LYS  60          1HZ       LYS  60  14.964   2.138   2.138
  431   2HZ   LYS  60          3HZ       LYS  60  14.439   1.251   1.251
  432   3HZ   LYS  60          2HZ       LYS  60  15.331   0.523   0.523
  433    H    GLY  61           H        GLY  61   9.565  -1.893  -1.893
  434   1HA   GLY  61          1HA       GLY  61   9.931  -0.241  -0.241
  435   2HA   GLY  61          2HA       GLY  61  10.521  -1.911  -1.911
  436    HA   PRO  62           HA       PRO  62   5.716  -1.727  -1.727
  437   1HB   PRO  62          2HB       PRO  62   4.722   0.353   0.353
  438   2HB   PRO  62          1HB       PRO  62   4.900   0.467   0.467
  439   1HG   PRO  62          2HG       PRO  62   6.501   1.693   1.693
  440   2HG   PRO  62          1HG       PRO  62   6.390   2.113   2.113
  441   1HD   PRO  62          2HD       PRO  62   8.515   0.718   0.718
  442   2HD   PRO  62          1HD       PRO  62   8.337   1.052   1.052
  443    H    ALA  63           H        ALA  63   5.427  -3.558  -3.558
  444    HA   ALA  63           HA       ALA  63   6.063  -3.647  -3.647
  445   1HB   ALA  63          3HB       ALA  63   6.683  -5.535  -5.535
  446   2HB   ALA  63          2HB       ALA  63   4.967  -5.752  -5.752
  447   3HB   ALA  63          1HB       ALA  63   5.535  -6.065  -6.065
  448    H    ALA  64           H        ALA  64   4.534  -4.020  -4.020
  449    HA   ALA  64           HA       ALA  64   1.844  -3.035  -3.035
  450   1HB   ALA  64          3HB       ALA  64   3.066  -2.864  -2.864
  451   2HB   ALA  64          2HB       ALA  64   3.018  -4.633  -4.633
  452   3HB   ALA  64          1HB       ALA  64   1.503  -3.709  -3.709
  453    H    GLY  65           H        GLY  65   0.225  -4.161  -4.161
  454   1HA   GLY  65          1HA       GLY  65   0.227  -7.140  -7.140
  455   2HA   GLY  65          2HA       GLY  65  -0.346  -6.311  -6.311
  456    H    ASN  66           H        ASN  66  -1.519  -8.020  -8.020
  457    HA   ASN  66           HA       ASN  66  -3.501  -8.114  -8.114
  458   1HB   ASN  66          2HB       ASN  66  -4.219  -6.336  -6.336
  459   2HB   ASN  66          1HB       ASN  66  -5.413  -6.679  -6.679
  460   1HD2  ASN  66          1HD2      ASN  66  -5.096  -7.395  -7.395
  461   2HD2  ASN  66          2HD2      ASN  66  -5.312  -9.147  -9.147
  462    H    VAL  67           H        VAL  67  -3.098  -7.226  -7.226
  463    HA   VAL  67           HA       VAL  67  -3.838  -4.366  -4.366
  464    HB   VAL  67           HB       VAL  67  -1.750  -5.325  -5.325
  465   1HG1  VAL  67          1HG1      VAL  67  -2.110  -2.791  -2.791
  466   2HG1  VAL  67          3HG1      VAL  67  -0.827  -3.054  -3.054
  467   3HG1  VAL  67          2HG1      VAL  67  -2.529  -3.002  -3.002
  468   1HG2  VAL  67          1HG2      VAL  67  -0.947  -6.383  -6.383
  469   2HG2  VAL  67          3HG2      VAL  67   0.085  -4.989  -4.989
  470   3HG2  VAL  67          2HG2      VAL  67  -1.117  -4.852  -4.852
  471    H    THR  68           H        THR  68  -5.835  -4.694  -4.694
  472    HA   THR  68           HA       THR  68  -5.988  -6.598  -6.598
  473    HB   THR  68           HB       THR  68  -7.874  -7.141  -7.141
  474    HG1  THR  68           HG1      THR  68  -8.851  -4.675  -4.675
  475   1HG2  THR  68          2HG2      THR  68  -7.449  -4.343  -4.343
  476   2HG2  THR  68          1HG2      THR  68  -9.097  -5.000  -5.000
  477   3HG2  THR  68          3HG2      THR  68  -7.793  -5.842  -5.842
  478    H    SER  69           H        SER  69  -5.757  -5.816  -5.816
  479    HA   SER  69           HA       SER  69  -5.447  -3.093  -3.093
  480   1HB   SER  69          2HB       SER  69  -5.383  -3.700  -3.700
  481   2HB   SER  69          1HB       SER  69  -4.831  -5.156  -5.156
  482    HG   SER  69           HG       SER  69  -7.552  -5.095  -5.095
  483    H    LEU  70           H        LEU  70  -6.816  -1.420  -1.420
  484    HA   LEU  70           HA       LEU  70  -9.638  -2.088  -2.088
  485   1HB   LEU  70          2HB       LEU  70  -8.651  -0.300  -0.300
  486   2HB   LEU  70          1HB       LEU  70 -10.309  -0.253  -0.253
  487    HG   LEU  70           HG       LEU  70  -8.940  -2.635  -2.635
  488   1HD1  LEU  70          1HD1      LEU  70 -11.005  -0.754  -0.754
  489   2HD1  LEU  70          3HD1      LEU  70 -10.443  -2.278  -2.278
  490   3HD1  LEU  70          2HD1      LEU  70  -9.310  -0.935  -0.935
  491   1HD2  LEU  70          1HD2      LEU  70 -10.667  -3.307  -3.307
  492   2HD2  LEU  70          3HD2      LEU  70 -11.219  -3.652  -3.652
  493   3HD2  LEU  70          2HD2      LEU  70 -11.853  -2.245  -2.245