*HEADER   PROTEINASE INHIBITOR                    17-SEP-95   1PMC    
*TITLE    PROTEINASE INHIBITOR PMP-C (NMR, 36 STRUCTURES)             
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: PROTEINASE INHIBITOR PMP-C;                      
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: LMCI II;                                          
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: LOCUSTA MIGRATORIA;                   
*SOURCE  4 ORGANISM_COMMON: MIGRATORY LOCUST;                         
*SOURCE  5 ORGAN: BRAIN;                                              
*SOURCE  6 TISSUE: HEMOLYMPH AND FAT BODY                             
*KEYWDS   CALCIUM CHANNEL BLOCKER                                     
*EXPDTA   NMR, 36 STRUCTURES                                          
*AUTHOR   G.MER,H.HIETTER,J.-F.LEFEVRE                                
*REVDAT  1   29-JAN-96 1PMC    0                                      


remarks   Distance information for PMP-C
remarks   NOEs are classified as upper distances
remarks   Strong NOE : between 1.8 A and 2.7 A
remarks   Medium NOE : between 1.8 A and 3.5 A
remarks   Weak NOE   : between 1.8 A and 5.0 A


remarks   ** Intraresidual NOEs **

assign (resid    9 and name   HN )(resid   9 and name   HA )   3.3  1.5  0.2
assign (resid    9 and name   HN )(resid   9 and name   HB )   2.5  0.7  0.2
assign (resid   10 and name   HN )(resid  10 and name   HA )   4.8  3.0  0.2
assign (resid   13 and name   HN )(resid  13 and name   HA )   2.5  0.7  0.2
assign (resid   15 and name HD21 )(resid  15 and name  HB2 )   2.5  0.7  0.2
assign (resid   15 and name HD22 )(resid  15 and name  HB2 )   3.3  1.5  0.2
assign (resid   16 and name   HN )(resid  16 and name   HB )   3.3  1.5  0.2
assign (resid   17 and name   HN )(resid  17 and name   HA )   4.8  3.0  0.2
assign (resid   17 and name   HN )(resid  17 and name  HB1 )   4.8  3.0  0.2 
assign (resid   17 and name   HN )(resid  17 and name  HB2 )   2.5  0.7  0.2 
assign (resid   19 and name   HN )(resid  19 and name   HA )   4.8  3.0  0.2
assign (resid   19 and name   HN )(resid  19 and name  HB1 )   2.5  0.7  0.2
assign (resid   19 and name   HN )(resid  19 and name  HB2 )   2.5  0.7  0.2
assign (resid   20 and name   HN )(resid  20 and name  HA1 )   2.5  0.7  0.2
assign (resid   20 and name   HN )(resid  20 and name  HA2 )   3.3  1.5  0.2
assign (resid   28 and name   HN )(resid  28 and name   HA )   3.3  1.5  0.2
assign (resid   28 and name   HN )(resid  28 and name  HB1 )   2.5  0.7  0.2 
assign (resid   28 and name   HN )(resid  28 and name  HB2 )   4.8  3.0  0.2 
assign (resid   29 and name   HN )(resid  29 and name   HB )   3.3  1.5  0.2
assign (resid   32 and name   HN )(resid  32 and name  HB* )   2.5  0.7  0.2


remarks   ** Sequential backbone - backbone NOEs **

assign (resid    2 and name   HA )(resid    3 and name  HN )   2.5  0.7  0.2
assign (resid    3 and name   HA )(resid    4 and name  HN )   2.5  0.7  0.2
assign (resid    6 and name   HA )(resid    7 and name  HN )   2.5  0.7  0.2
assign (resid    8 and name   HA )(resid    9 and name  HN )   3.3  1.5  0.2
assign (resid    9 and name   HA )(resid   10 and name  HN )   2.5  0.7  0.2
assign (resid   10 and name   HA )(resid   11 and name  HN )   2.5  0.7  0.2
assign (resid   12 and name   HA )(resid   13 and name  HN )   3.3  1.5  0.2
assign (resid   13 and name   HA )(resid   14 and name  HN )   3.3  1.5  0.2
assign (resid   14 and name   HA )(resid   15 and name  HN )   4.8  3.0  0.2
assign (resid   16 and name   HA )(resid   17 and name  HN )   2.5  0.7  0.2
assign (resid   17 and name   HA )(resid   18 and name  HN )   2.5  0.7  0.2
assign (resid   22 and name   HA )(resid   23 and name  HN )   3.3  1.5  0.2
assign (resid   23 and name   HA*)(resid   24 and name  HN )   3.3  1.5  0.2
assign (resid   24 and name   HA )(resid   25 and name  HN )   3.3  1.5  0.2
assign (resid   25 and name   HA )(resid   26 and name  HN )   3.3  1.5  0.2
assign (resid   26 and name   HA )(resid   27 and name  HN )   2.5  0.7  0.2
assign (resid   28 and name   HA )(resid   29 and name  HN )   2.5  0.7  0.2
assign (resid   29 and name   HA )(resid   30 and name  HN )   2.5  0.7  0.2
assign (resid   30 and name   HA )(resid   31 and name  HN )   3.3  1.5  0.2
assign (resid   31 and name   HA )(resid   32 and name  HN )   2.5  0.7  0.2
assign (resid   32 and name   HA )(resid   33 and name  HN )   2.5  0.7  0.2
assign (resid   34 and name   HA )(resid   35 and name  HN )   2.5  0.7  0.2

remarks HN - HN
assign (resid    7 and name   HN )(resid   8 and name   HN )   3.3  1.5  0.2
assign (resid   15 and name   HN )(resid  16 and name   HN )   3.3  1.5  0.2
assign (resid   21 and name   HN )(resid  22 and name   HN )   3.3  1.5  0.2
assign (resid   24 and name   HN )(resid  25 and name   HN )   2.5  0.7  0.2


remarks   ** Sequential backbone - side chain NOEs **

assign (resid    1 and name  HB* )(resid   2 and name   HN )   3.3  1.5  0.2 
assign (resid    2 and name   HB )(resid   3 and name   HN )   3.3  1.5  0.2
assign (resid    2 and name HG2* )(resid   3 and name   HN )   3.3  1.5  0.2
assign (resid    3 and name  HB* )(resid   4 and name   HN )   3.3  1.5  0.2
assign (resid    4 and name  HB1 )(resid   5 and name   HN )   3.3  1.5  0.2 
assign (resid    4 and name  HB2 )(resid   5 and name   HN )   3.3  1.5  0.2 
assign (resid    5 and name   HA )(resid   6 and name  HD1 )   2.5  0.7  0.2
assign (resid    5 and name   HA )(resid   6 and name  HD2 )   2.5  0.7  0.2
assign (resid    6 and name  HB1 )(resid   7 and name   HN )   4.8  3.0  0.2
assign (resid    6 and name  HB2 )(resid   7 and name   HN )   4.8  3.0  0.2
assign (resid    8 and name  HB* )(resid   9 and name   HN )   2.5  0.7  0.2
assign (resid    9 and name   HB )(resid  10 and name   HN )   3.3  1.5  0.2
assign (resid    9 and name HG2* )(resid  10 and name   HN )   3.3  1.5  0.2
assign (resid   10 and name  HB* )(resid  11 and name   HN )   2.5  0.7  0.2
assign (resid   11 and name  HB1 )(resid  12 and name   HN )   3.3  1.5  0.2
assign (resid   11 and name  HB2 )(resid  12 and name   HN )   3.3  1.5  0.2
assign (resid   12 and name  HB2 )(resid  13 and name   HN )   4.8  3.0  0.2
assign (resid   13 and name  HB1 )(resid  14 and name   HN )   2.5  0.7  0.2
assign (resid   13 and name  HB2 )(resid  14 and name   HN )   2.5  0.7  0.2
assign (resid   15 and name  HB1 )(resid  16 and name   HN )   3.3  1.5  0.2
assign (resid   15 and name  HB2 )(resid  16 and name   HN )   3.3  1.5  0.2
assign (resid   16 and name   HB )(resid  17 and name   HN )   3.3  1.5  0.2
assign (resid   17 and name  HB1 )(resid  18 and name   HN )   3.3  1.5  0.2
assign (resid   17 and name  HB2 )(resid  18 and name   HN )   4.8  3.0  0.2
assign (resid   18 and name  HG1 )(resid  19 and name   HN )   4.8  3.0  0.2
assign (resid   18 and name  HG2 )(resid  19 and name   HN )   4.8  3.0  0.2
assign (resid   21 and name  HB* )(resid  22 and name   HN )   3.3  1.5  0.2
assign (resid   25 and name  HB1 )(resid  26 and name   HN )   3.3  1.5  0.2
assign (resid   25 and name  HB2 )(resid  26 and name   HN )   3.3  1.5  0.2
assign (resid   27 and name  HB* )(resid  28 and name   HN )   3.3  1.5  0.2
assign (resid   28 and name  HB1 )(resid  29 and name   HN )   3.3  1.5  0.2
assign (resid   28 and name  HB2 )(resid  29 and name   HN )   3.3  1.5  0.2
assign (resid   29 and name   HA )(resid  30 and name HD1* )   4.8  3.0  0.2
assign (resid   29 and name   HA )(resid  30 and name HD2* )   4.8  3.0  0.2
assign (resid   29 and name   HA )(resid  30 and name   HG )   4.8  3.0  0.2
assign (resid   29 and name HG2* )(resid  30 and name   HN )   3.3  1.5  0.2
assign (resid   31 and name  HB* )(resid  32 and name   HN )   3.3  1.5  0.2
assign (resid   32 and name  HB* )(resid  33 and name   HN )   3.3  1.5  0.2
assign (resid   33 and name   HA )(resid  34 and name  HD1 )   2.5  0.7  0.2
assign (resid   33 and name   HA )(resid  34 and name  HD2 )   2.5  0.7  0.2


remarks   ** Long range backbone - backbone NOEs **

remarks HA - HA
assign (resid    3 and name   HA )(resid  23 and name  HA* )   4.8  3.0  0.2
assign (resid    3 and name   HA )(resid  25 and name   HA )   4.8  3.0  0.2
assign (resid    9 and name   HA )(resid  18 and name   HA )   2.5  0.7  0.2
assign (resid   11 and name   HA )(resid  16 and name   HA )   3.3  1.5  0.2
assign (resid   17 and name   HA )(resid  28 and name   HA )   2.5  0.7  0.2
assign (resid   19 and name   HA )(resid  26 and name   HA )   2.5  0.7  0.2
remarks HN - HA
assign (resid    6 and name   HA )(resid   8 and name   HN )   4.8  3.0  0.2
assign (resid   18 and name   HN )(resid  28 and name   HA )   3.3  1.5  0.2 
assign (resid   19 and name   HN )(resid   9 and name   HA )   4.8  3.0  0.2
assign (resid   20 and name   HA )(resid  22 and name   HN )   4.8  3.0  0.2
assign (resid   20 and name   HN )(resid  26 and name   HA )   3.3  1.5  0.2
assign (resid   29 and name   HN )(resid  17 and name   HA )   3.3  1.5  0.2
remarks HN - HN
assign (resid    8 and name   HN )(resid  19 and name   HN )   4.8  3.0  0.2
assign (resid   18 and name   HN )(resid  27 and name   HN )   3.3  1.5  0.2
assign (resid   20 and name   HN )(resid  25 and name   HN )   3.3  1.5  0.2


remarks   ** Long range backbone - side chain NOEs **

assign (resid    7 and name   HN )(resid  19 and name  HB1 )   3.3  1.5  0.2
assign (resid    7 and name   HN )(resid  19 and name  HB2 )   4.8  3.0  0.2
assign (resid    6 and name   HA )(resid  19 and name  HB1 )   3.3  1.5  0.2
assign (resid    6 and name   HA )(resid  19 and name  HB2 )   4.8  3.0  0.2
assign (resid    8 and name   HN )(resid  19 and name  HB1 )   3.3  1.5  0.2
assign (resid    8 and name   HN )(resid  19 and name  HB2 )   4.8  3.0  0.2
assign (resid    9 and name   HA )(resid  10 and name  HD* )   4.8  3.0  0.2
assign (resid    9 and name   HA )(resid  18 and name  HB2 )   4.8  3.0  0.2
assign (resid   10 and name   HN )(resid  17 and name  HB2 )   3.3  1.5  0.2
assign (resid   11 and name   HA )(resid  16 and name HG2* )   3.3  1.5  0.2
assign (resid   11 and name   HN )(resid  10 and name  HD* )   3.3  1.5  0.2
assign (resid   15 and name   HN )(resid  13 and name  HB1 )   4.8  3.0  0.2
assign (resid   15 and name   HN )(resid  13 and name  HB2 )   4.8  3.0  0.2
assign (resid   16 and name   HN )(resid  29 and name HG2* )   3.3  1.5  0.2
assign (resid   17 and name   HA )(resid  26 and name  HB* )   4.8  3.0  0.2
assign (resid   17 and name  HB1 )(resid  26 and name  HB* )   3.3  1.5  0.2
assign (resid   18 and name   HA )(resid   9 and name HG2* )   3.3  1.5  0.2
assign (resid   19 and name   HA )(resid  10 and name  HE* )   3.3  1.5  0.2
assign (resid   19 and name   HN )(resid  10 and name  HD* )   3.3  1.5  0.2
assign (resid   19 and name   HN )(resid  10 and name  HE* )   4.8  3.0  0.2
assign (resid   20 and name   HN )(resid  26 and name  HB* )   3.3  1.5  0.2
assign (resid   23 and name   HN )(resid   6 and name  HB1 )   4.8  3.0  0.2 
assign (resid   23 and name   HN )(resid   6 and name  HG1 )   3.3  1.5  0.2
assign (resid   23 and name  HA1 )(resid   6 and name  HD1 )   3.3  1.5  0.2
assign (resid   23 and name  HA2 )(resid   6 and name  HD1 )   3.3  1.5  0.2
assign (resid   24 and name   HA )(resid   2 and name   HB )   3.3  1.5  0.2
assign (resid   24 and name   HA )(resid   2 and name HG2* )   3.3  1.5  0.2
assign (resid   25 and name   HA )(resid   2 and name HG11 )   4.8  3.0  0.2
assign (resid   25 and name   HA )(resid   2 and name HG2* )   4.8  3.0  0.2
assign (resid   25 and name   HA )(resid   2 and name  HD* )   3.3  1.5  0.2
assign (resid   25 and name   HN )(resid   2 and name HG2* )   4.8  3.0  0.2
assign (resid   26 and name   HN )(resid   2 and name  HD* )   4.8  3.0  0.2
assign (resid   29 and name   HN )(resid  15 and name  HB1 )   3.3  1.5  0.2
assign (resid   30 and name   HA )(resid  15 and name  HB1 )   4.8  3.0  0.2
assign (resid   30 and name   HN )(resid  29 and name HG2* )   3.3  1.5  0.2
assign (resid   31 and name   HN )(resid  15 and name HD21 )   4.8  3.0  0.2
assign (resid   31 and name   HN )(resid  15 and name HD22 )   4.8  3.0  0.2


remarks   ** Long range side chain - side chain NOEs **

assign (resid   10 and name  HD* )(resid  12 and name  HB2 )   3.3  1.5  0.2
assign (resid   10 and name  HD* )(resid  17 and name  HB1 )   4.8  3.0  0.2
assign (resid   10 and name  HD* )(resid  17 and name  HB2 )   4.8  3.0  0.2
assign (resid   10 and name  HD* )(resid  26 and name  HB* )   4.8  3.0  0.2
assign (resid   10 and name  HE* )(resid  12 and name  HB2 )   3.3  1.5  0.2
assign (resid   10 and name  HE* )(resid  17 and name  HB1 )   3.3  1.5  0.2
assign (resid   10 and name  HE* )(resid  17 and name  HB2 )   3.3  1.5  0.2
assign (resid   10 and name  HE* )(resid  19 and name  HB1 )   4.8  3.0  0.2
assign (resid   10 and name  HE* )(resid  19 and name  HB2 )   2.5  0.7  0.2
assign (resid   10 and name  HE* )(resid  26 and name  HB* )   3.3  1.5  0.2
assign (resid   10 and name   HZ )(resid   2 and name HG2* )   4.8  3.0  0.2
assign (resid   10 and name   HZ )(resid   2 and name  HD* )   4.8  3.0  0.2 
assign (resid   10 and name   HZ )(resid  17 and name  HB1 )   3.3  1.5  0.2
assign (resid   10 and name   HZ )(resid  17 and name  HB2 )   3.3  1.5  0.2
assign (resid   10 and name   HZ )(resid  26 and name  HB* )   2.5  0.7  0.2
assign (resid   16 and name   HB )(resid  29 and name HG2* )   3.3  1.5  0.2
assign (resid   28 and name  HB1 )(resid  30 and name HD2* )   4.8  3.0  0.2
remarks   ** NOEs between cysteines (disulfide bridges) **
assign (resid   14 and name   HN )(resid  33 and name  HB1 )   4.8  3.0  0.2
assign (resid   14 and name  HB1 )(resid  33 and name  HB1 )   3.3  1.5  0.2
assign (resid   14 and name  HB1 )(resid  33 and name  HB2 )   3.3  1.5  0.2
assign (resid   17 and name   HA )(resid  28 and name  HB2 )   3.3  1.5  0.2
assign (resid   17 and name   HA )(resid  28 and name  HB1 )   4.8  3.0  0.2
assign (resid   28 and name   HA )(resid  17 and name  HB1 )   3.3  1.5  0.2
assign (resid   33 and name   HA )(resid  14 and name  HB1 )   3.3  1.5  0.2
assign (resid   33 and name   HN )(resid  14 and name  HB2 )   4.8  3.0  0.2




remarks H-bond information

assign (resid    5 and name     O)(resid   8 and name    N )   3.0  1.2  0.3
assign (resid    5 and name     O)(resid   8 and name   HN )   2.0  0.2  0.3
assign (resid    8 and name     O)(resid  19 and name    N )   3.0  1.2  0.3
assign (resid    8 and name     O)(resid  19 and name   HN )   2.0  0.2  0.3
assign (resid   10 and name     O)(resid  17 and name    N )   3.0  1.2  0.3
assign (resid   10 and name     O)(resid  17 and name   HN )   2.0  0.2  0.3
assign (resid   17 and name     O)(resid  10 and name    N )   3.0  1.2  0.3
assign (resid   17 and name     O)(resid  10 and name   HN )   2.0  0.2  0.3
assign (resid   16 and name     O)(resid  29 and name    N )   3.0  1.2  0.3
assign (resid   16 and name     O)(resid  29 and name   HN )   2.0  0.2  0.3
assign (resid   29 and name     O)(resid  16 and name    N )   3.0  1.2  0.3
assign (resid   29 and name     O)(resid  16 and name   HN )   2.0  0.2  0.3
assign (resid   18 and name     O)(resid  27 and name    N )   3.0  1.2  0.3
assign (resid   18 and name     O)(resid  27 and name   HN )   2.0  0.2  0.3
assign (resid   27 and name     O)(resid  18 and name    N )   3.0  1.2  0.3
assign (resid   27 and name     O)(resid  18 and name   HN )   2.0  0.2  0.3
assign (resid   25 and name     O)(resid  20 and name    N )   3.0  1.2  0.3
assign (resid   25 and name     O)(resid  20 and name   HN )   2.0  0.2  0.3




remarks   Angle information

assign (residue  2 and name c) (residue  3 and name n)
        (residue  3 and name ca) (residue  3 and name c) 1 -115.0 60.0 2
assign (residue  5 and name c) (residue  6 and name n)
        (residue  6 and name ca) (residue  6 and name c) 1  -60.0 00.0 2
assign (residue  6 and name c) (residue  7 and name n)
        (residue  7 and name ca) (residue  7 and name c) 1   85.0 25.0 2
assign (residue  7 and name c) (residue  8 and name n)
        (residue  8 and name ca) (residue  8 and name c) 1  -65.0 40.0 2
assign (residue  8 and name c) (residue  9 and name n)
        (residue  9 and name ca) (residue  9 and name c) 1 -120.0 40.0 2
assign (residue  9 and name c) (residue 10 and name n)
	(residue 10 and name ca) (residue 10 and name c) 1 -115.0 60.0 2
assign (residue 13 and name c) (residue 14 and name n)
        (residue 14 and name ca) (residue 14 and name c) 1 -115.0 60.0 2
assign (residue 15 and name c) (residue 16 and name n)
        (residue 16 and name ca) (residue 16 and name c) 1 -120.0 20.0 2
assign (residue 16 and name c) (residue 17 and name n)
	(residue 17 and name ca) (residue 17 and name c) 1 -120.0 20.0 2
assign (residue 17 and name c) (residue 18 and name n)
        (residue 18 and name ca) (residue 18 and name c) 1 -120.0 20.0 2
assign (residue 20 and name c) (residue 21 and name n)
	(residue 21 and name ca) (residue 21 and name c) 1  -65.0 25.0 2 
assign (residue 21 and name c) (residue 22 and name n)
	(residue 22 and name ca) (residue 22 and name c) 1 -115.0 60.0 2
assign (residue 23 and name c) (residue 24 and name n)
        (residue 24 and name ca) (residue 24 and name c) 1 -115.0 60.0 2
assign (residue 24 and name c) (residue 25 and name n)
        (residue 25 and name ca) (residue 25 and name c) 1 -115.0 60.0 2
assign (residue 25 and name c) (residue 26 and name n)
        (residue 26 and name ca) (residue 26 and name c) 1 -115.0 60.0 2
assign (residue 27 and name c) (residue 28 and name n)
        (residue 28 and name ca) (residue 28 and name c) 1 -120.0 20.0 2
assign (residue 28 and name c) (residue 29 and name n)
        (residue 29 and name ca) (residue 29 and name c) 1 -115.0 60.0 2
assign (residue 29 and name c) (residue 30 and name n)
        (residue 30 and name ca) (residue 30 and name c) 1 -120.0 40.0 2
assign (residue 32 and name c) (residue 33 and name n)
        (residue 33 and name ca) (residue 33 and name c) 1 -115.0 60.0 2
assign (residue 33 and name c) (residue 34 and name n)
        (residue 34 and name ca) (residue 34 and name c) 1  -60.0 00.0 2
assign (residue 35 and name c) (residue 36 and name n)
        (residue 36 and name ca) (residue 36 and name c) 1 -115.0 60.0 2
assign (residue 14 and name n) (residue 14 and name ca)
        (residue 14 and name cb) (residue 14 and name sg) 1  60.0 30.0 2
assign (residue 25 and name n) (residue 25 and name ca)
        (residue 25 and name cb) (residue 25 and name og) 1  60.0 30.0 2
assign (residue 17 and name n) (residue 17 and name ca)
        (residue 17 and name cb) (residue 17 and name sg) 1 -60.0 30.0 2
assign (residue 33 and name n) (residue 33 and name ca)
        (residue 33 and name cb) (residue 33 and name sg) 1 -60.0 30.0 2
assign (residue 24 and name n) (residue 24 and name ca)
        (residue 24 and name cb) (residue 24 and name cg) 1 -60.0 30.0 2
assign (residue 15 and name n) (residue 15 and name ca)
        (residue 15 and name cb) (residue 15 and name cg) 1 -60.0 30.0 2
assign (residue 30 and name n) (residue 30 and name ca)
        (residue 30 and name cb) (residue 30 and name cg) 1 -60.0 30.0 2
assign (residue 13 and name n) (residue 13 and name ca)
        (residue 13 and name cb) (residue 13 and name cg) 1 -60.0 30.0 2
assign (residue 28 and name n) (residue 28 and name ca)
        (residue 28 and name cb) (residue 28 and name sg) 1 180.0 30.0 2
assign (residue 29 and name n) (residue 29 and name ca)
        (residue 29 and name cb) (residue 29 and name og1) 1  180.0 30.0 2
assign (residue 12 and name n) (residue 12 and name ca)
        (residue 12 and name cb) (residue 12 and name cg) 1   180.0 30.0 2
assign (residue 18 and name n) (residue 18 and name ca)
        (residue 18 and name cb) (residue 18 and name cg) 1   180.0 30.0 2
assign (residue 19 and name n) (residue 19 and name ca)
        (residue 19 and name cb) (residue 19 and name sg) 1   180.0 30.0 2
assign (residue 11 and name n) (residue 11 and name ca)
        (residue 11 and name cb) (residue 11 and name cg) 1   180.0 30.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1           HT2      GLU   1  19.651   7.406   9.567
    2   2H    GLU   1           HT1      GLU   1  19.637   8.990  10.181
    3   3H    GLU   1           HT3      GLU   1  18.178   8.228   9.773
    4    HA   GLU   1           HA       GLU   1  18.469   9.540   7.922
    5   1HB   GLU   1           HB2      GLU   1  20.790  10.009   7.106
    6   2HB   GLU   1           HB1      GLU   1  20.559  10.467   8.794
    7   1HG   GLU   1           HG2      GLU   1  21.863   8.728   9.591
    8   2HG   GLU   1           HG1      GLU   1  21.524   7.698   8.200
    9    H    ILE   2           HN       ILE   2  19.973   8.910   5.672
   10    HA   ILE   2           HA       ILE   2  20.029   7.326   3.912
   11    HB   ILE   2           HB       ILE   2  20.701   5.791   6.411
   12   1HG1  ILE   2          HG12      ILE   2  22.181   7.074   4.138
   13   2HG1  ILE   2          HG11      ILE   2  22.518   7.152   5.865
   14   1HG2  ILE   2          HG22      ILE   2  20.684   4.715   3.586
   15   2HG2  ILE   2          HG21      ILE   2  21.420   3.906   4.963
   16   3HG2  ILE   2          HG23      ILE   2  19.677   4.161   4.925
   17   1HD1  ILE   2          HD13      ILE   2  22.990   4.568   5.588
   18   2HD1  ILE   2          HD12      ILE   2  23.220   4.996   3.893
   19   3HD1  ILE   2          HD11      ILE   2  24.228   5.740   5.135
   20    H    SER   3           HN       SER   3  18.999   5.250   3.173
   21    HA   SER   3           HA       SER   3  16.832   4.031   4.547
   22   1HB   SER   3           HB2      SER   3  16.293   6.453   2.859
   23   2HB   SER   3           HB1      SER   3  15.102   5.156   2.863
   24    HG   SER   3           HG       SER   3  15.594   5.398   5.327
   25    H    CYS   4           HN       CYS   4  15.949   2.313   3.290
   26    HA   CYS   4           HA       CYS   4  16.191   2.002   0.467
   27   1HB   CYS   4           HB2      CYS   4  18.199   0.413   0.559
   28   2HB   CYS   4           HB1      CYS   4  18.567   2.121   0.780
   29    H    GLU   5           HN       GLU   5  16.369  -0.560   0.001
   30    HA   GLU   5           HA       GLU   5  14.170  -1.792   1.441
   31   1HB   GLU   5           HB2      GLU   5  16.229  -2.864  -0.523
   32   2HB   GLU   5           HB1      GLU   5  14.748  -3.702  -0.059
   33   1HG   GLU   5           HG2      GLU   5  13.553  -1.508  -0.804
   34   2HG   GLU   5           HG1      GLU   5  15.057  -1.171  -1.661
   35    HA   PRO   6           HA       PRO   6  16.979  -3.003   4.731
   36   1HB   PRO   6           HB2      PRO   6  15.015  -4.188   6.254
   37   2HB   PRO   6           HB1      PRO   6  15.349  -2.443   6.256
   38   1HG   PRO   6           HG2      PRO   6  13.254  -3.971   4.772
   39   2HG   PRO   6           HG1      PRO   6  13.126  -2.425   5.636
   40   1HD   PRO   6           HD2      PRO   6  13.331  -2.516   2.962
   41   2HD   PRO   6           HD1      PRO   6  14.105  -1.224   3.910
   42    H    GLY   7           HN       GLY   7  18.181  -4.832   4.718
   43   1HA   GLY   7           HA2      GLY   7  18.493  -7.225   4.803
   44   2HA   GLY   7           HA1      GLY   7  16.883  -7.431   4.107
   45    H    LYS   8           HN       LYS   8  18.030  -5.015   2.308
   46    HA   LYS   8           HA       LYS   8  19.075  -6.888   0.231
   47   1HB   LYS   8           HB2      LYS   8  18.102  -4.052  -0.130
   48   2HB   LYS   8           HB1      LYS   8  18.191  -5.335  -1.338
   49   1HG   LYS   8           HG2      LYS   8  16.328  -5.232   1.054
   50   2HG   LYS   8           HG1      LYS   8  15.872  -5.088  -0.643
   51   1HD   LYS   8           HD2      LYS   8  17.199  -7.526   0.578
   52   2HD   LYS   8           HD1      LYS   8  15.469  -7.378   0.264
   53   1HE   LYS   8           HE2      LYS   8  15.921  -7.064  -2.146
   54   2HE   LYS   8           HE1      LYS   8  17.662  -7.216  -1.836
   55   1HZ   LYS   8           HZ1      LYS   8  15.797  -9.261  -0.827
   56   2HZ   LYS   8           HZ3      LYS   8  16.315  -9.325  -2.441
   57   3HZ   LYS   8           HZ2      LYS   8  17.453  -9.404  -1.181
   58    H    THR   9           HN       THR   9  20.651  -5.759  -1.316
   59    HA   THR   9           HA       THR   9  22.574  -4.046   0.216
   60    HB   THR   9           HB       THR   9  23.243  -6.245  -1.742
   61    HG1  THR   9           HG1      THR   9  23.603  -6.566   0.996
   62   1HG2  THR   9          HG21      THR   9  24.929  -4.429  -1.229
   63   2HG2  THR   9          HG23      THR   9  24.950  -5.030   0.429
   64   3HG2  THR   9          HG22      THR   9  25.465  -6.074  -0.894
   65    H    PHE  10           HN       PHE  10  23.963  -2.726  -1.174
   66    HA   PHE  10           HA       PHE  10  23.359  -2.565  -4.035
   67   1HB   PHE  10           HB2      PHE  10  22.601  -0.130  -3.742
   68   2HB   PHE  10           HB1      PHE  10  21.450  -1.379  -3.279
   69    HD1  PHE  10           HD1      PHE  10  24.374   0.350  -1.631
   70    HD2  PHE  10           HD2      PHE  10  20.279  -0.911  -1.336
   71    HE1  PHE  10           HE1      PHE  10  24.198   1.345   0.631
   72    HE2  PHE  10           HE2      PHE  10  20.140   0.088   0.921
   73    HZ   PHE  10           HZ       PHE  10  22.145   1.211   1.893
   74    H    LYS  11           HN       LYS  11  24.306   0.005  -4.483
   75    HA   LYS  11           HA       LYS  11  27.171  -0.342  -3.729
   76   1HB   LYS  11           HB2      LYS  11  26.179  -0.085  -6.119
   77   2HB   LYS  11           HB1      LYS  11  25.999   1.620  -5.706
   78   1HG   LYS  11           HG2      LYS  11  28.155   1.911  -6.287
   79   2HG   LYS  11           HG1      LYS  11  28.599   0.935  -4.886
   80   1HD   LYS  11           HD2      LYS  11  28.329  -1.118  -6.297
   81   2HD   LYS  11           HD1      LYS  11  28.054  -0.074  -7.692
   82   1HE   LYS  11           HE2      LYS  11  30.422   0.846  -6.366
   83   2HE   LYS  11           HE1      LYS  11  30.565  -0.905  -6.617
   84   1HZ   LYS  11           HZ1      LYS  11  29.570  -0.386  -8.912
   85   2HZ   LYS  11           HZ3      LYS  11  30.062   1.210  -8.614
   86   3HZ   LYS  11           HZ2      LYS  11  31.213  -0.039  -8.654
   87    H    ASP  12           HN       ASP  12  24.776   2.321  -4.024
   88    HA   ASP  12           HA       ASP  12  24.575   4.326  -2.797
   89   1HB   ASP  12           HB2      ASP  12  24.403   2.570  -1.019
   90   2HB   ASP  12           HB1      ASP  12  26.148   2.687  -0.784
   91    H    LYS  13           HN       LYS  13  27.421   4.026  -0.904
   92    HA   LYS  13           HA       LYS  13  28.676   6.322  -1.944
   93   1HB   LYS  13           HB2      LYS  13  30.031   3.948  -0.641
   94   2HB   LYS  13           HB1      LYS  13  30.518   5.640  -0.546
   95   1HG   LYS  13           HG2      LYS  13  28.073   5.952   0.427
   96   2HG   LYS  13           HG1      LYS  13  28.250   4.243   0.826
   97   1HD   LYS  13           HD2      LYS  13  30.069   4.631   2.253
   98   2HD   LYS  13           HD1      LYS  13  30.442   6.187   1.512
   99   1HE   LYS  13           HE2      LYS  13  27.831   5.738   2.976
  100   2HE   LYS  13           HE1      LYS  13  29.297   6.269   3.824
  101   1HZ   LYS  13           HZ1      LYS  13  28.637   7.603   1.311
  102   2HZ   LYS  13           HZ3      LYS  13  27.675   7.984   2.655
  103   3HZ   LYS  13           HZ2      LYS  13  29.355   8.233   2.715
  104    H    CYS  14           HN       CYS  14  31.368   5.486  -2.443
  105    HA   CYS  14           HA       CYS  14  31.109   4.666  -5.258
  106   1HB   CYS  14           HB2      CYS  14  33.349   5.427  -5.420
  107   2HB   CYS  14           HB1      CYS  14  32.626   6.492  -4.218
  108    H    ASN  15           HN       ASN  15  31.410   3.011  -2.325
  109    HA   ASN  15           HA       ASN  15  32.951   0.800  -3.592
  110   1HB   ASN  15           HB2      ASN  15  32.447   1.774  -0.783
  111   2HB   ASN  15           HB1      ASN  15  33.059   0.139  -1.069
  112   1HD2  ASN  15          HD22      ASN  15  35.716   3.065  -1.133
  113   2HD2  ASN  15          HD21      ASN  15  34.247   3.079  -0.274
  114    H    THR  16           HN       THR  16  31.354  -0.426  -0.950
  115    HA   THR  16           HA       THR  16  28.867  -1.011  -2.509
  116    HB   THR  16           HB       THR  16  29.789  -3.430  -1.340
  117    HG1  THR  16           HG1      THR  16  31.811  -3.558  -1.966
  118   1HG2  THR  16          HG21      THR  16  28.367  -2.783  -3.459
  119   2HG2  THR  16          HG23      THR  16  29.932  -2.821  -4.271
  120   3HG2  THR  16          HG22      THR  16  29.323  -4.265  -3.461
  121    H    CYS  17           HN       CYS  17  27.139  -0.855  -1.181
  122    HA   CYS  17           HA       CYS  17  27.585  -1.184   1.738
  123   1HB   CYS  17           HB2      CYS  17  25.491   0.297   0.195
  124   2HB   CYS  17           HB1      CYS  17  25.518   0.159   1.947
  125    H    ARG  18           HN       ARG  18  25.438  -1.787   2.878
  126    HA   ARG  18           HA       ARG  18  23.919  -3.857   1.391
  127   1HB   ARG  18           HB2      ARG  18  25.689  -5.117   2.378
  128   2HB   ARG  18           HB1      ARG  18  25.613  -4.185   3.874
  129   1HG   ARG  18           HG2      ARG  18  23.405  -5.121   4.377
  130   2HG   ARG  18           HG1      ARG  18  23.416  -6.009   2.852
  131   1HD   ARG  18           HD2      ARG  18  25.818  -6.777   3.988
  132   2HD   ARG  18           HD1      ARG  18  24.737  -6.674   5.392
  133    HE   ARG  18           HE       ARG  18  23.601  -8.009   3.023
  134   1HH1  ARG  18          HH11      ARG  18  22.178  -8.930   5.147
  135   2HH1  ARG  18          HH12      ARG  18  23.044 -10.271   5.820
  136   1HH2  ARG  18          HH21      ARG  18  26.040  -9.451   4.280
  137   2HH2  ARG  18          HH22      ARG  18  25.230 -10.566   5.329
  138    H    CYS  19           HN       CYS  19  22.037  -2.469   1.586
  139    HA   CYS  19           HA       CYS  19  21.135  -0.950   3.699
  140   1HB   CYS  19           HB2      CYS  19  20.062  -1.494   1.495
  141   2HB   CYS  19           HB1      CYS  19  19.456  -2.985   2.219
  142    H    GLY  20           HN       GLY  20  20.973  -1.351   5.854
  143   1HA   GLY  20           HA2      GLY  20  21.161  -4.015   6.946
  144   2HA   GLY  20           HA1      GLY  20  20.854  -2.549   7.870
  145    H    ALA  21           HN       ALA  21  19.519  -4.708   8.700
  146    HA   ALA  21           HA       ALA  21  17.079  -5.487   7.571
  147   1HB   ALA  21           HB2      ALA  21  18.293  -6.204   9.720
  148   2HB   ALA  21           HB1      ALA  21  17.501  -4.831  10.494
  149   3HB   ALA  21           HB3      ALA  21  16.533  -6.135   9.806
  150    H    ASP  22           HN       ASP  22  17.971  -2.402   8.891
  151    HA   ASP  22           HA       ASP  22  15.136  -1.510   9.052
  152   1HB   ASP  22           HB2      ASP  22  17.754  -0.779  10.182
  153   2HB   ASP  22           HB1      ASP  22  16.793   0.616   9.688
  154    H    GLY  23           HN       GLY  23  14.362   0.182   7.694
  155   1HA   GLY  23           HA2      GLY  23  15.775   0.440   5.130
  156   2HA   GLY  23           HA1      GLY  23  14.175   1.086   5.502
  157    H    LYS  24           HN       LYS  24  17.369   1.579   7.042
  158    HA   LYS  24           HA       LYS  24  17.393   4.410   6.215
  159   1HB   LYS  24           HB2      LYS  24  17.078   3.493   9.091
  160   2HB   LYS  24           HB1      LYS  24  17.395   5.157   8.600
  161   1HG   LYS  24           HG2      LYS  24  15.295   5.025   7.180
  162   2HG   LYS  24           HG1      LYS  24  14.946   3.490   7.976
  163   1HD   LYS  24           HD2      LYS  24  15.638   5.489   9.945
  164   2HD   LYS  24           HD1      LYS  24  14.323   6.073   8.923
  165   1HE   LYS  24           HE2      LYS  24  13.544   3.474   9.367
  166   2HE   LYS  24           HE1      LYS  24  14.313   3.893  10.911
  167   1HZ   LYS  24           HZ1      LYS  24  13.059   6.055  10.750
  168   2HZ   LYS  24           HZ3      LYS  24  12.150   5.352   9.503
  169   3HZ   LYS  24           HZ2      LYS  24  12.110   4.682  11.064
  170    H    SER  25           HN       SER  25  19.090   1.747   6.341
  171    HA   SER  25           HA       SER  25  21.582   3.197   6.645
  172   1HB   SER  25           HB2      SER  25  22.251   1.438   8.504
  173   2HB   SER  25           HB1      SER  25  21.350   2.884   8.951
  174    HG   SER  25           HG       SER  25  20.639   0.315   9.171
  175    H    ALA  26           HN       ALA  26  23.432   1.303   6.692
  176    HA   ALA  26           HA       ALA  26  22.809  -1.201   5.426
  177   1HB   ALA  26           HB1      ALA  26  22.175   0.585   3.697
  178   2HB   ALA  26           HB3      ALA  26  23.898   0.928   3.570
  179   3HB   ALA  26           HB2      ALA  26  23.284  -0.665   3.138
  180    H    ALA  27           HN       ALA  27  24.577  -2.363   6.236
  181    HA   ALA  27           HA       ALA  27  27.063  -1.128   7.001
  182   1HB   ALA  27           HB2      ALA  27  26.272  -3.966   6.316
  183   2HB   ALA  27           HB1      ALA  27  27.863  -3.536   6.945
  184   3HB   ALA  27           HB3      ALA  27  26.424  -3.254   7.923
  185    H    CYS  28           HN       CYS  28  28.840  -0.654   5.727
  186    HA   CYS  28           HA       CYS  28  28.645  -1.521   2.887
  187   1HB   CYS  28           HB2      CYS  28  28.266   0.925   3.768
  188   2HB   CYS  28           HB1      CYS  28  30.015   0.982   3.749
  189    H    THR  29           HN       THR  29  30.893  -0.857   1.804
  190    HA   THR  29           HA       THR  29  33.158  -1.847   3.442
  191    HB   THR  29           HB       THR  29  31.689  -3.527   1.837
  192    HG1  THR  29           HG1      THR  29  34.373  -3.455   2.632
  193   1HG2  THR  29          HG22      THR  29  32.408  -2.171  -0.167
  194   2HG2  THR  29          HG21      THR  29  34.064  -2.679   0.163
  195   3HG2  THR  29          HG23      THR  29  32.840  -3.879  -0.251
  196    H    LEU  30           HN       LEU  30  35.213  -1.312   2.338
  197    HA   LEU  30           HA       LEU  30  34.874   1.053   0.539
  198   1HB   LEU  30           HB2      LEU  30  37.007   0.448   2.605
  199   2HB   LEU  30           HB1      LEU  30  36.838   1.949   1.697
  200    HG   LEU  30           HG       LEU  30  35.814   2.422   3.774
  201   1HD1  LEU  30          HD11      LEU  30  34.342   2.557   1.515
  202   2HD1  LEU  30          HD13      LEU  30  33.309   1.497   2.474
  203   3HD1  LEU  30          HD12      LEU  30  33.739   3.095   3.082
  204   1HD2  LEU  30          HD22      LEU  30  35.625  -0.287   4.069
  205   2HD2  LEU  30          HD21      LEU  30  34.848   0.878   5.141
  206   3HD2  LEU  30          HD23      LEU  30  33.932   0.145   3.824
  207    H    LYS  31           HN       LYS  31  36.635   1.498  -0.872
  208    HA   LYS  31           HA       LYS  31  38.904   0.041  -1.501
  209   1HB   LYS  31           HB2      LYS  31  37.957  -1.411  -3.394
  210   2HB   LYS  31           HB1      LYS  31  37.594  -1.963  -1.762
  211   1HG   LYS  31           HG2      LYS  31  35.393  -0.727  -1.935
  212   2HG   LYS  31           HG1      LYS  31  35.761  -0.450  -3.637
  213   1HD   LYS  31           HD2      LYS  31  36.105  -3.246  -2.788
  214   2HD   LYS  31           HD1      LYS  31  34.446  -2.660  -2.661
  215   1HE   LYS  31           HE2      LYS  31  34.189  -2.685  -4.915
  216   2HE   LYS  31           HE1      LYS  31  35.708  -1.798  -5.154
  217   1HZ   LYS  31           HZ2      LYS  31  36.924  -3.848  -4.705
  218   2HZ   LYS  31           HZ1      LYS  31  35.461  -4.696  -4.539
  219   3HZ   LYS  31           HZ3      LYS  31  35.892  -4.037  -6.041
  220    H    ALA  32           HN       ALA  32  39.319   0.322  -4.073
  221    HA   ALA  32           HA       ALA  32  39.373   2.995  -4.745
  222   1HB   ALA  32           HB2      ALA  32  39.798   0.506  -5.989
  223   2HB   ALA  32           HB1      ALA  32  38.731   1.395  -7.076
  224   3HB   ALA  32           HB3      ALA  32  40.281   2.088  -6.601
  225    H    CYS  33           HN       CYS  33  38.005   4.428  -5.917
  226    HA   CYS  33           HA       CYS  33  35.097   3.747  -5.793
  227   1HB   CYS  33           HB2      CYS  33  36.627   6.359  -6.063
  228   2HB   CYS  33           HB1      CYS  33  34.874   6.240  -5.957
  229    HA   PRO  34           HA       PRO  34  35.909   3.244 -10.254
  230   1HB   PRO  34           HB2      PRO  34  33.541   1.918 -10.710
  231   2HB   PRO  34           HB1      PRO  34  35.022   1.118 -10.141
  232   1HG   PRO  34           HG2      PRO  34  32.669   2.075  -8.563
  233   2HG   PRO  34           HG1      PRO  34  33.557   0.545  -8.441
  234   1HD   PRO  34           HD2      PRO  34  33.997   2.537  -6.710
  235   2HD   PRO  34           HD1      PRO  34  35.331   1.513  -7.291
  236    H    ASN  35           HN       ASN  35  35.310   4.719 -11.798
  237    HA   ASN  35           HA       ASN  35  32.668   6.095 -11.534
  238   1HB   ASN  35           HB2      ASN  35  35.405   7.143 -11.220
  239   2HB   ASN  35           HB1      ASN  35  34.408   8.082 -12.331
  240   1HD2  ASN  35          HD22      ASN  35  33.853   9.204  -8.745
  241   2HD2  ASN  35          HD21      ASN  35  35.266   8.972  -9.657
  242    H    GLN  36           HN       GLN  36  35.611   6.144 -13.584
  243    HA   GLN  36           HA       GLN  36  35.768   6.327 -15.952
  244   1HB   GLN  36           HB2      GLN  36  34.980   4.263 -16.920
  245   2HB   GLN  36           HB1      GLN  36  35.450   3.907 -15.258
  246   1HG   GLN  36           HG2      GLN  36  33.175   3.905 -14.516
  247   2HG   GLN  36           HG1      GLN  36  32.610   4.599 -16.036
  248   1HE2  GLN  36          HE22      GLN  36  33.761   0.642 -16.043
  249   2HE2  GLN  36          HE21      GLN  36  34.496   1.710 -14.948
   
  No H/Q in entry =         249
  Start of MODEL    2
    1   1H    GLU   1           HT1      GLU   1  18.298   8.765   8.025
    2   2H    GLU   1           HT3      GLU   1  19.814   9.134   8.688
    3   3H    GLU   1           HT2      GLU   1  18.513  10.205   8.900
    4    HA   GLU   1           HA       GLU   1  18.569  10.940   6.704
    5   1HB   GLU   1           HB2      GLU   1  21.146  10.477   8.121
    6   2HB   GLU   1           HB1      GLU   1  21.260  11.034   6.450
    7   1HG   GLU   1           HG2      GLU   1  19.366  12.403   8.340
    8   2HG   GLU   1           HG1      GLU   1  21.085  12.798   8.393
    9    H    ILE   2           HN       ILE   2  19.860   7.749   7.161
   10    HA   ILE   2           HA       ILE   2  20.466   7.412   4.266
   11    HB   ILE   2           HB       ILE   2  20.913   5.896   6.815
   12   1HG1  ILE   2          HG12      ILE   2  22.561   7.163   4.655
   13   2HG1  ILE   2          HG11      ILE   2  22.740   7.288   6.403
   14   1HG2  ILE   2          HG23      ILE   2  21.233   4.731   4.045
   15   2HG2  ILE   2          HG22      ILE   2  21.787   3.981   5.536
   16   3HG2  ILE   2          HG21      ILE   2  20.063   4.212   5.259
   17   1HD1  ILE   2          HD12      ILE   2  23.357   4.805   4.767
   18   2HD1  ILE   2          HD11      ILE   2  24.562   5.940   5.374
   19   3HD1  ILE   2          HD13      ILE   2  23.597   4.988   6.504
   20    H    SER   3           HN       SER   3  19.664   5.284   3.362
   21    HA   SER   3           HA       SER   3  17.389   3.956   4.412
   22   1HB   SER   3           HB2      SER   3  16.984   6.455   2.871
   23   2HB   SER   3           HB1      SER   3  15.959   5.109   2.378
   24    HG   SER   3           HG       SER   3  15.681   6.690   4.474
   25    H    CYS   4           HN       CYS   4  16.548   2.346   2.867
   26    HA   CYS   4           HA       CYS   4  17.297   2.054   0.162
   27   1HB   CYS   4           HB2      CYS   4  19.245   0.380   0.628
   28   2HB   CYS   4           HB1      CYS   4  19.588   2.103   0.710
   29    H    GLU   5           HN       GLU   5  17.271  -0.349  -0.503
   30    HA   GLU   5           HA       GLU   5  14.954  -1.658   0.429
   31   1HB   GLU   5           HB2      GLU   5  17.115  -2.077  -1.392
   32   2HB   GLU   5           HB1      GLU   5  16.897  -3.567  -0.475
   33   1HG   GLU   5           HG2      GLU   5  15.459  -3.610  -2.453
   34   2HG   GLU   5           HG1      GLU   5  14.463  -3.499  -1.001
   35    HA   PRO   6           HA       PRO   6  16.743  -2.695   4.443
   36   1HB   PRO   6           HB2      PRO   6  14.355  -3.556   5.497
   37   2HB   PRO   6           HB1      PRO   6  14.851  -1.852   5.444
   38   1HG   PRO   6           HG2      PRO   6  13.045  -3.359   3.608
   39   2HG   PRO   6           HG1      PRO   6  12.866  -1.727   4.280
   40   1HD   PRO   6           HD2      PRO   6  13.711  -2.131   1.761
   41   2HD   PRO   6           HD1      PRO   6  14.330  -0.792   2.756
   42    H    GLY   7           HN       GLY   7  17.862  -4.589   4.571
   43   1HA   GLY   7           HA2      GLY   7  17.826  -6.976   5.080
   44   2HA   GLY   7           HA1      GLY   7  16.370  -7.123   4.099
   45    H    LYS   8           HN       LYS   8  17.729  -5.331   2.007
   46    HA   LYS   8           HA       LYS   8  19.261  -7.566   0.749
   47   1HB   LYS   8           HB2      LYS   8  17.974  -5.095  -0.443
   48   2HB   LYS   8           HB1      LYS   8  18.644  -6.455  -1.343
   49   1HG   LYS   8           HG2      LYS   8  16.631  -7.143   0.725
   50   2HG   LYS   8           HG1      LYS   8  16.021  -6.272  -0.682
   51   1HD   LYS   8           HD2      LYS   8  17.416  -8.004  -2.052
   52   2HD   LYS   8           HD1      LYS   8  17.378  -8.957  -0.569
   53   1HE   LYS   8           HE2      LYS   8  15.034  -9.196  -0.632
   54   2HE   LYS   8           HE1      LYS   8  14.831  -7.804  -1.713
   55   1HZ   LYS   8           HZ3      LYS   8  16.246 -10.321  -2.418
   56   2HZ   LYS   8           HZ2      LYS   8  14.672  -9.920  -2.917
   57   3HZ   LYS   8           HZ1      LYS   8  15.996  -8.995  -3.445
   58    H    THR   9           HN       THR   9  20.914  -6.648  -0.923
   59    HA   THR   9           HA       THR   9  22.690  -4.753   0.539
   60    HB   THR   9           HB       THR   9  23.387  -6.510  -1.813
   61    HG1  THR   9           HG1      THR   9  23.810  -7.431   0.767
   62   1HG2  THR   9          HG22      THR   9  24.942  -5.457   0.564
   63   2HG2  THR   9          HG21      THR   9  25.598  -6.529  -0.671
   64   3HG2  THR   9          HG23      THR   9  25.077  -4.901  -1.104
   65    H    PHE  10           HN       PHE  10  23.907  -3.172  -0.853
   66    HA   PHE  10           HA       PHE  10  22.841  -2.653  -3.521
   67   1HB   PHE  10           HB2      PHE  10  21.901  -0.448  -2.921
   68   2HB   PHE  10           HB1      PHE  10  21.066  -1.758  -2.104
   69    HD1  PHE  10           HD2      PHE  10  22.760  -2.342   0.267
   70    HD2  PHE  10           HD1      PHE  10  21.818   1.418  -1.588
   71    HE1  PHE  10           HE2      PHE  10  23.157  -1.181   2.393
   72    HE2  PHE  10           HE1      PHE  10  22.183   2.558   0.572
   73    HZ   PHE  10           HZ       PHE  10  22.872   1.269   2.562
   74    H    LYS  11           HN       LYS  11  23.667  -0.091  -3.906
   75    HA   LYS  11           HA       LYS  11  26.610  -0.410  -3.646
   76   1HB   LYS  11           HB2      LYS  11  25.662   0.042  -5.832
   77   2HB   LYS  11           HB1      LYS  11  24.782   1.439  -5.212
   78   1HG   LYS  11           HG2      LYS  11  26.612   2.784  -5.288
   79   2HG   LYS  11           HG1      LYS  11  27.689   1.509  -4.711
   80   1HD   LYS  11           HD2      LYS  11  27.887   0.553  -6.886
   81   2HD   LYS  11           HD1      LYS  11  26.538   1.505  -7.507
   82   1HE   LYS  11           HE2      LYS  11  27.828   3.565  -7.307
   83   2HE   LYS  11           HE1      LYS  11  29.163   2.688  -6.531
   84   1HZ   LYS  11           HZ2      LYS  11  29.312   1.273  -8.501
   85   2HZ   LYS  11           HZ1      LYS  11  28.085   2.175  -9.254
   86   3HZ   LYS  11           HZ3      LYS  11  29.575   2.905  -8.899
   87    H    ASP  12           HN       ASP  12  24.931   2.692  -3.808
   88    HA   ASP  12           HA       ASP  12  25.011   4.567  -2.367
   89   1HB   ASP  12           HB2      ASP  12  24.249   2.472  -0.885
   90   2HB   ASP  12           HB1      ASP  12  25.813   2.756  -0.121
   91    H    LYS  13           HN       LYS  13  26.664   6.006  -1.646
   92    HA   LYS  13           HA       LYS  13  28.885   6.786  -1.379
   93   1HB   LYS  13           HB2      LYS  13  29.443   3.886  -0.690
   94   2HB   LYS  13           HB1      LYS  13  30.318   5.307  -0.124
   95   1HG   LYS  13           HG2      LYS  13  27.561   5.675   0.514
   96   2HG   LYS  13           HG1      LYS  13  28.031   4.063   1.055
   97   1HD   LYS  13           HD2      LYS  13  29.551   4.865   2.585
   98   2HD   LYS  13           HD1      LYS  13  29.933   6.289   1.615
   99   1HE   LYS  13           HE2      LYS  13  28.702   7.059   3.555
  100   2HE   LYS  13           HE1      LYS  13  27.588   7.146   2.176
  101   1HZ   LYS  13           HZ2      LYS  13  27.036   4.739   2.784
  102   2HZ   LYS  13           HZ1      LYS  13  27.743   5.087   4.290
  103   3HZ   LYS  13           HZ3      LYS  13  26.390   5.966   3.767
  104    H    CYS  14           HN       CYS  14  31.242   4.986  -1.907
  105    HA   CYS  14           HA       CYS  14  30.942   4.813  -4.889
  106   1HB   CYS  14           HB2      CYS  14  33.232   5.535  -5.026
  107   2HB   CYS  14           HB1      CYS  14  32.432   6.615  -3.886
  108    H    ASN  15           HN       ASN  15  30.917   2.807  -2.345
  109    HA   ASN  15           HA       ASN  15  32.601   0.772  -3.741
  110   1HB   ASN  15           HB2      ASN  15  32.288   1.534  -0.839
  111   2HB   ASN  15           HB1      ASN  15  32.892  -0.065  -1.292
  112   1HD2  ASN  15          HD22      ASN  15  35.450   2.985  -1.370
  113   2HD2  ASN  15          HD21      ASN  15  34.005   2.956  -0.479
  114    H    THR  16           HN       THR  16  31.197  -0.643  -1.078
  115    HA   THR  16           HA       THR  16  28.598  -1.115  -2.480
  116    HB   THR  16           HB       THR  16  29.633  -3.614  -1.569
  117    HG1  THR  16           HG1      THR  16  31.451  -3.723  -2.897
  118   1HG2  THR  16          HG21      THR  16  27.904  -3.152  -3.318
  119   2HG2  THR  16          HG23      THR  16  29.186  -2.547  -4.367
  120   3HG2  THR  16          HG22      THR  16  29.175  -4.240  -3.873
  121    H    CYS  17           HN       CYS  17  26.967  -1.133  -1.044
  122    HA   CYS  17           HA       CYS  17  27.622  -1.566   1.825
  123   1HB   CYS  17           HB2      CYS  17  25.366  -0.106   0.477
  124   2HB   CYS  17           HB1      CYS  17  25.562  -0.276   2.221
  125    H    ARG  18           HN       ARG  18  25.554  -2.204   3.062
  126    HA   ARG  18           HA       ARG  18  23.988  -4.332   1.699
  127   1HB   ARG  18           HB2      ARG  18  26.051  -5.273   2.813
  128   2HB   ARG  18           HB1      ARG  18  25.466  -4.616   4.342
  129   1HG   ARG  18           HG2      ARG  18  23.351  -5.946   4.019
  130   2HG   ARG  18           HG1      ARG  18  24.113  -6.713   2.624
  131   1HD   ARG  18           HD2      ARG  18  25.737  -7.800   3.953
  132   2HD   ARG  18           HD1      ARG  18  25.474  -6.704   5.325
  133    HE   ARG  18           HE       ARG  18  23.553  -8.817   4.446
  134   1HH1  ARG  18          HH11      ARG  18  22.590  -6.214   5.860
  135   2HH1  ARG  18          HH12      ARG  18  22.443  -6.794   7.485
  136   1HH2  ARG  18          HH21      ARG  18  24.271  -9.683   6.901
  137   2HH2  ARG  18          HH22      ARG  18  23.396  -8.758   8.075
  138    H    CYS  19           HN       CYS  19  22.109  -2.987   1.912
  139    HA   CYS  19           HA       CYS  19  21.513  -1.388   4.167
  140   1HB   CYS  19           HB2      CYS  19  20.558  -1.371   1.834
  141   2HB   CYS  19           HB1      CYS  19  19.544  -2.748   2.313
  142    H    GLY  20           HN       GLY  20  20.686  -1.811   6.147
  143   1HA   GLY  20           HA2      GLY  20  20.505  -4.588   7.011
  144   2HA   GLY  20           HA1      GLY  20  20.244  -3.173   8.025
  145    H    ALA  21           HN       ALA  21  18.585  -5.177   8.514
  146    HA   ALA  21           HA       ALA  21  16.247  -5.630   7.059
  147   1HB   ALA  21           HB3      ALA  21  16.743  -5.240  10.024
  148   2HB   ALA  21           HB2      ALA  21  15.241  -5.899   9.375
  149   3HB   ALA  21           HB1      ALA  21  16.760  -6.760   9.132
  150    H    ASP  22           HN       ASP  22  17.279  -2.706   8.631
  151    HA   ASP  22           HA       ASP  22  14.571  -1.484   8.349
  152   1HB   ASP  22           HB2      ASP  22  15.652   0.320   9.715
  153   2HB   ASP  22           HB1      ASP  22  15.743  -1.260  10.495
  154    H    GLY  23           HN       GLY  23  14.257   0.230   6.872
  155   1HA   GLY  23           HA2      GLY  23  16.302   0.502   4.779
  156   2HA   GLY  23           HA1      GLY  23  14.691   1.219   4.752
  157    H    LYS  24           HN       LYS  24  17.525   1.499   6.947
  158    HA   LYS  24           HA       LYS  24  17.646   4.409   6.377
  159   1HB   LYS  24           HB2      LYS  24  17.159   3.229   9.135
  160   2HB   LYS  24           HB1      LYS  24  17.397   4.937   8.784
  161   1HG   LYS  24           HG2      LYS  24  15.131   3.254   7.671
  162   2HG   LYS  24           HG1      LYS  24  14.993   4.338   9.050
  163   1HD   LYS  24           HD2      LYS  24  16.159   5.502   6.577
  164   2HD   LYS  24           HD1      LYS  24  14.438   5.123   6.531
  165   1HE   LYS  24           HE2      LYS  24  15.655   6.669   8.834
  166   2HE   LYS  24           HE1      LYS  24  15.041   7.475   7.377
  167   1HZ   LYS  24           HZ3      LYS  24  13.371   5.400   8.579
  168   2HZ   LYS  24           HZ2      LYS  24  13.461   6.887   9.397
  169   3HZ   LYS  24           HZ1      LYS  24  12.917   6.831   7.789
  170    H    SER  25           HN       SER  25  19.325   1.573   6.776
  171    HA   SER  25           HA       SER  25  21.796   3.061   7.099
  172   1HB   SER  25           HB2      SER  25  22.275   1.486   9.204
  173   2HB   SER  25           HB1      SER  25  21.466   3.038   9.395
  174    HG   SER  25           HG       SER  25  20.507   0.482   9.684
  175    H    ALA  26           HN       ALA  26  23.688   1.343   7.278
  176    HA   ALA  26           HA       ALA  26  23.144  -1.369   6.433
  177   1HB   ALA  26           HB2      ALA  26  22.429   0.184   4.500
  178   2HB   ALA  26           HB1      ALA  26  24.156   0.456   4.259
  179   3HB   ALA  26           HB3      ALA  26  23.490  -1.165   4.116
  180    H    ALA  27           HN       ALA  27  25.094  -2.587   6.316
  181    HA   ALA  27           HA       ALA  27  27.538  -1.157   7.220
  182   1HB   ALA  27           HB2      ALA  27  26.422  -3.778   7.442
  183   2HB   ALA  27           HB1      ALA  27  27.956  -3.922   6.584
  184   3HB   ALA  27           HB3      ALA  27  27.906  -3.171   8.178
  185    H    CYS  28           HN       CYS  28  29.311  -0.847   5.781
  186    HA   CYS  28           HA       CYS  28  28.773  -1.766   2.998
  187   1HB   CYS  28           HB2      CYS  28  28.475   0.707   3.831
  188   2HB   CYS  28           HB1      CYS  28  30.214   0.768   3.623
  189    H    THR  29           HN       THR  29  30.902  -1.110   1.667
  190    HA   THR  29           HA       THR  29  33.307  -2.125   3.088
  191    HB   THR  29           HB       THR  29  31.705  -3.712   1.508
  192    HG1  THR  29           HG1      THR  29  33.414  -5.087   1.578
  193   1HG2  THR  29          HG21      THR  29  32.437  -2.145  -0.426
  194   2HG2  THR  29          HG23      THR  29  33.991  -2.969  -0.307
  195   3HG2  THR  29          HG22      THR  29  32.533  -3.886  -0.689
  196    H    LEU  30           HN       LEU  30  35.263  -1.521   1.879
  197    HA   LEU  30           HA       LEU  30  34.816   0.993   0.332
  198   1HB   LEU  30           HB2      LEU  30  37.147   0.048   2.025
  199   2HB   LEU  30           HB1      LEU  30  37.000   1.637   1.277
  200    HG   LEU  30           HG       LEU  30  36.264   1.974   3.502
  201   1HD1  LEU  30          HD12      LEU  30  34.686   2.782   1.685
  202   2HD1  LEU  30          HD11      LEU  30  33.697   1.363   2.027
  203   3HD1  LEU  30          HD13      LEU  30  33.955   2.579   3.276
  204   1HD2  LEU  30          HD22      LEU  30  35.876  -0.717   3.588
  205   2HD2  LEU  30          HD21      LEU  30  35.288   0.394   4.825
  206   3HD2  LEU  30          HD23      LEU  30  34.205  -0.151   3.543
  207    H    LYS  31           HN       LYS  31  36.526   1.541  -1.184
  208    HA   LYS  31           HA       LYS  31  38.488  -0.088  -2.330
  209   1HB   LYS  31           HB2      LYS  31  35.890  -1.167  -2.669
  210   2HB   LYS  31           HB1      LYS  31  36.314  -0.462  -4.226
  211   1HG   LYS  31           HG2      LYS  31  37.726  -2.154  -4.657
  212   2HG   LYS  31           HG1      LYS  31  38.603  -1.843  -3.159
  213   1HD   LYS  31           HD2      LYS  31  37.061  -3.225  -1.898
  214   2HD   LYS  31           HD1      LYS  31  36.021  -3.424  -3.310
  215   1HE   LYS  31           HE2      LYS  31  37.305  -5.423  -3.272
  216   2HE   LYS  31           HE1      LYS  31  38.160  -4.409  -4.452
  217   1HZ   LYS  31           HZ3      LYS  31  39.345  -3.513  -2.344
  218   2HZ   LYS  31           HZ2      LYS  31  38.858  -4.985  -1.650
  219   3HZ   LYS  31           HZ1      LYS  31  39.858  -4.980  -3.024
  220    H    ALA  32           HN       ALA  32  38.768   0.653  -4.794
  221    HA   ALA  32           HA       ALA  32  39.003   3.426  -4.965
  222   1HB   ALA  32           HB1      ALA  32  39.897   1.679  -6.531
  223   2HB   ALA  32           HB3      ALA  32  38.281   1.534  -7.224
  224   3HB   ALA  32           HB2      ALA  32  39.168   3.051  -7.368
  225    H    CYS  33           HN       CYS  33  37.661   5.097  -5.800
  226    HA   CYS  33           HA       CYS  33  34.735   4.452  -5.822
  227   1HB   CYS  33           HB2      CYS  33  36.222   7.072  -5.419
  228   2HB   CYS  33           HB1      CYS  33  34.490   6.833  -5.214
  229    HA   PRO  34           HA       PRO  34  35.716   5.175 -10.230
  230   1HB   PRO  34           HB2      PRO  34  33.495   3.814 -11.113
  231   2HB   PRO  34           HB1      PRO  34  35.037   3.028 -10.716
  232   1HG   PRO  34           HG2      PRO  34  32.577   3.309  -9.043
  233   2HG   PRO  34           HG1      PRO  34  33.616   1.893  -9.285
  234   1HD   PRO  34           HD2      PRO  34  33.812   3.401  -7.079
  235   2HD   PRO  34           HD1      PRO  34  35.251   2.679  -7.835
  236    H    ASN  35           HN       ASN  35  34.525   6.439 -11.845
  237    HA   ASN  35           HA       ASN  35  33.291   8.764 -11.022
  238   1HB   ASN  35           HB2      ASN  35  32.267   8.738 -13.326
  239   2HB   ASN  35           HB1      ASN  35  33.979   8.313 -13.311
  240   1HD2  ASN  35          HD22      ASN  35  31.375   5.681 -14.814
  241   2HD2  ASN  35          HD21      ASN  35  31.005   7.312 -14.526
  242    H    GLN  36           HN       GLN  36  31.244   9.358 -10.312
  243    HA   GLN  36           HA       GLN  36  29.429   7.359  -9.312
  244   1HB   GLN  36           HB2      GLN  36  28.049   9.349  -8.811
  245   2HB   GLN  36           HB1      GLN  36  29.737   9.639  -8.394
  246   1HG   GLN  36           HG2      GLN  36  29.915  10.582 -10.827
  247   2HG   GLN  36           HG1      GLN  36  28.159  10.711 -10.718
  248   1HE2  GLN  36          HE22      GLN  36  29.191  13.946  -9.419
  249   2HE2  GLN  36          HE21      GLN  36  28.919  13.153 -10.896
   
  No H/Q in entry =         249
  Start of MODEL    3
    1   1H    GLU   1           HT3      GLU   1  21.021  11.339   5.679
    2   2H    GLU   1           HT2      GLU   1  21.158  11.807   7.306
    3   3H    GLU   1           HT1      GLU   1  22.341  10.811   6.603
    4    HA   GLU   1           HA       GLU   1  21.012   9.367   7.898
    5   1HB   GLU   1           HB2      GLU   1  18.509   9.523   7.609
    6   2HB   GLU   1           HB1      GLU   1  19.237  10.982   8.282
    7   1HG   GLU   1           HG2      GLU   1  19.149  12.107   6.163
    8   2HG   GLU   1           HG1      GLU   1  18.714  10.618   5.323
    9    H    ILE   2           HN       ILE   2  20.037   7.330   7.097
   10    HA   ILE   2           HA       ILE   2  20.381   7.006   4.130
   11    HB   ILE   2           HB       ILE   2  20.920   5.262   6.523
   12   1HG1  ILE   2          HG12      ILE   2  22.523   6.404   4.241
   13   2HG1  ILE   2          HG11      ILE   2  22.829   6.542   5.971
   14   1HG2  ILE   2          HG21      ILE   2  20.742   4.382   3.638
   15   2HG2  ILE   2          HG23      ILE   2  21.419   3.410   4.940
   16   3HG2  ILE   2          HG22      ILE   2  19.712   3.843   4.966
   17   1HD1  ILE   2          HD11      ILE   2  23.337   4.114   6.061
   18   2HD1  ILE   2          HD13      ILE   2  23.073   4.007   4.320
   19   3HD1  ILE   2          HD12      ILE   2  24.414   4.962   4.952
   20    H    SER   3           HN       SER   3  19.104   5.101   3.313
   21    HA   SER   3           HA       SER   3  16.852   4.050   4.685
   22   1HB   SER   3           HB2      SER   3  15.217   5.483   3.132
   23   2HB   SER   3           HB1      SER   3  15.767   6.113   4.681
   24    HG   SER   3           HG       SER   3  16.147   7.128   2.270
   25    H    CYS   4           HN       CYS   4  15.938   2.383   3.433
   26    HA   CYS   4           HA       CYS   4  15.866   2.247   0.599
   27   1HB   CYS   4           HB2      CYS   4  18.094   2.117   0.181
   28   2HB   CYS   4           HB1      CYS   4  18.448   1.900   1.875
   29    H    GLU   5           HN       GLU   5  15.925  -0.212  -0.072
   30    HA   GLU   5           HA       GLU   5  13.864  -1.589   1.380
   31   1HB   GLU   5           HB2      GLU   5  15.906  -2.468  -0.690
   32   2HB   GLU   5           HB1      GLU   5  14.529  -3.452  -0.192
   33   1HG   GLU   5           HG2      GLU   5  13.460  -0.914  -0.765
   34   2HG   GLU   5           HG1      GLU   5  14.605  -1.244  -2.065
   35    HA   PRO   6           HA       PRO   6  16.765  -2.900   4.571
   36   1HB   PRO   6           HB2      PRO   6  14.819  -4.032   6.148
   37   2HB   PRO   6           HB1      PRO   6  15.198  -2.297   6.149
   38   1HG   PRO   6           HG2      PRO   6  13.023  -3.762   4.716
   39   2HG   PRO   6           HG1      PRO   6  12.952  -2.228   5.605
   40   1HD   PRO   6           HD2      PRO   6  13.073  -2.280   2.928
   41   2HD   PRO   6           HD1      PRO   6  13.908  -1.023   3.872
   42    H    GLY   7           HN       GLY   7  17.852  -4.824   4.668
   43   1HA   GLY   7           HA2      GLY   7  17.996  -7.231   4.776
   44   2HA   GLY   7           HA1      GLY   7  16.410  -7.333   4.010
   45    H    LYS   8           HN       LYS   8  17.798  -5.050   2.210
   46    HA   LYS   8           HA       LYS   8  18.803  -7.066   0.247
   47   1HB   LYS   8           HB2      LYS   8  18.149  -4.186  -0.334
   48   2HB   LYS   8           HB1      LYS   8  18.064  -5.577  -1.413
   49   1HG   LYS   8           HG2      LYS   8  16.198  -4.905   0.877
   50   2HG   LYS   8           HG1      LYS   8  15.798  -5.025  -0.836
   51   1HD   LYS   8           HD2      LYS   8  16.813  -7.491  -0.469
   52   2HD   LYS   8           HD1      LYS   8  16.222  -7.186   1.165
   53   1HE   LYS   8           HE2      LYS   8  14.238  -7.962   0.298
   54   2HE   LYS   8           HE1      LYS   8  14.097  -6.306  -0.323
   55   1HZ   LYS   8           HZ2      LYS   8  15.732  -8.213  -1.827
   56   2HZ   LYS   8           HZ1      LYS   8  14.044  -8.358  -1.945
   57   3HZ   LYS   8           HZ3      LYS   8  14.802  -6.908  -2.390
   58    H    THR   9           HN       THR   9  20.561  -6.182  -1.215
   59    HA   THR   9           HA       THR   9  22.529  -4.564   0.365
   60    HB   THR   9           HB       THR   9  23.197  -6.743  -1.612
   61    HG1  THR   9           HG1      THR   9  22.190  -7.971  -0.213
   62   1HG2  THR   9          HG23      THR   9  24.896  -5.040  -0.706
   63   2HG2  THR   9          HG22      THR   9  24.709  -5.861   0.844
   64   3HG2  THR   9          HG21      THR   9  25.317  -6.746  -0.556
   65    H    PHE  10           HN       PHE  10  24.067  -3.365  -1.013
   66    HA   PHE  10           HA       PHE  10  23.544  -3.117  -3.876
   67   1HB   PHE  10           HB2      PHE  10  22.838  -0.666  -3.566
   68   2HB   PHE  10           HB1      PHE  10  21.641  -1.888  -3.161
   69    HD1  PHE  10           HD2      PHE  10  24.338  -1.746  -0.751
   70    HD2  PHE  10           HD1      PHE  10  20.626   0.100  -1.876
   71    HE1  PHE  10           HE2      PHE  10  24.097  -0.835   1.514
   72    HE2  PHE  10           HE1      PHE  10  20.426   1.046   0.401
   73    HZ   PHE  10           HZ       PHE  10  22.192   0.587   2.080
   74    H    LYS  11           HN       LYS  11  24.543  -0.558  -4.238
   75    HA   LYS  11           HA       LYS  11  27.360  -0.915  -3.315
   76   1HB   LYS  11           HB2      LYS  11  26.711  -0.830  -5.761
   77   2HB   LYS  11           HB1      LYS  11  26.209   0.841  -5.504
   78   1HG   LYS  11           HG2      LYS  11  28.581   1.193  -4.529
   79   2HG   LYS  11           HG1      LYS  11  28.980  -0.332  -5.320
   80   1HD   LYS  11           HD2      LYS  11  27.500   1.463  -7.083
   81   2HD   LYS  11           HD1      LYS  11  29.009   2.180  -6.519
   82   1HE   LYS  11           HE2      LYS  11  30.263   0.201  -7.274
   83   2HE   LYS  11           HE1      LYS  11  28.751  -0.563  -7.806
   84   1HZ   LYS  11           HZ1      LYS  11  29.375   2.165  -8.701
   85   2HZ   LYS  11           HZ3      LYS  11  30.136   0.861  -9.474
   86   3HZ   LYS  11           HZ2      LYS  11  28.440   0.970  -9.464
   87    H    ASP  12           HN       ASP  12  25.144   1.807  -4.054
   88    HA   ASP  12           HA       ASP  12  24.984   3.946  -3.054
   89   1HB   ASP  12           HB2      ASP  12  24.333   2.034  -1.283
   90   2HB   ASP  12           HB1      ASP  12  25.761   2.669  -0.464
   91    H    LYS  13           HN       LYS  13  26.325   5.474  -1.454
   92    HA   LYS  13           HA       LYS  13  28.390   6.660  -1.344
   93   1HB   LYS  13           HB2      LYS  13  29.284   3.849  -0.626
   94   2HB   LYS  13           HB1      LYS  13  29.983   5.361  -0.048
   95   1HG   LYS  13           HG2      LYS  13  27.201   4.310   0.540
   96   2HG   LYS  13           HG1      LYS  13  28.530   4.480   1.687
   97   1HD   LYS  13           HD2      LYS  13  27.049   6.705   0.263
   98   2HD   LYS  13           HD1      LYS  13  27.070   6.376   1.995
   99   1HE   LYS  13           HE2      LYS  13  29.494   6.870   2.069
  100   2HE   LYS  13           HE1      LYS  13  29.470   7.213   0.327
  101   1HZ   LYS  13           HZ1      LYS  13  27.631   8.535   2.238
  102   2HZ   LYS  13           HZ3      LYS  13  29.142   9.193   1.839
  103   3HZ   LYS  13           HZ2      LYS  13  27.966   8.978   0.632
  104    H    CYS  14           HN       CYS  14  30.960   4.969  -1.726
  105    HA   CYS  14           HA       CYS  14  30.923   4.985  -4.723
  106   1HB   CYS  14           HB2      CYS  14  33.154   5.884  -4.602
  107   2HB   CYS  14           HB1      CYS  14  32.170   6.821  -3.478
  108    H    ASN  15           HN       ASN  15  30.968   2.895  -2.172
  109    HA   ASN  15           HA       ASN  15  32.809   1.019  -3.602
  110   1HB   ASN  15           HB2      ASN  15  32.491   1.785  -0.722
  111   2HB   ASN  15           HB1      ASN  15  33.052   0.153  -1.108
  112   1HD2  ASN  15          HD22      ASN  15  35.698   3.117  -1.316
  113   2HD2  ASN  15          HD21      ASN  15  34.253   3.173  -0.425
  114    H    THR  16           HN       THR  16  31.378  -0.435  -0.892
  115    HA   THR  16           HA       THR  16  28.984  -1.278  -2.486
  116    HB   THR  16           HB       THR  16  29.950  -3.609  -1.339
  117    HG1  THR  16           HG1      THR  16  32.087  -2.402  -2.712
  118   1HG2  THR  16          HG22      THR  16  29.087  -2.737  -3.771
  119   2HG2  THR  16          HG21      THR  16  30.787  -3.053  -4.116
  120   3HG2  THR  16          HG23      THR  16  29.761  -4.341  -3.487
  121    H    CYS  17           HN       CYS  17  27.238  -1.124  -1.172
  122    HA   CYS  17           HA       CYS  17  27.647  -1.448   1.757
  123   1HB   CYS  17           HB2      CYS  17  25.448  -0.050   0.257
  124   2HB   CYS  17           HB1      CYS  17  25.673  -0.067   2.005
  125    H    ARG  18           HN       ARG  18  25.510  -2.074   2.861
  126    HA   ARG  18           HA       ARG  18  24.034  -4.203   1.397
  127   1HB   ARG  18           HB2      ARG  18  25.994  -5.207   2.555
  128   2HB   ARG  18           HB1      ARG  18  25.458  -4.482   4.072
  129   1HG   ARG  18           HG2      ARG  18  23.187  -5.790   3.209
  130   2HG   ARG  18           HG1      ARG  18  24.473  -6.885   2.699
  131   1HD   ARG  18           HD2      ARG  18  25.113  -7.360   4.865
  132   2HD   ARG  18           HD1      ARG  18  24.674  -5.744   5.456
  133    HE   ARG  18           HE       ARG  18  22.266  -6.462   5.206
  134   1HH1  ARG  18          HH11      ARG  18  24.539  -8.346   6.704
  135   2HH1  ARG  18          HH12      ARG  18  23.639  -9.826   6.646
  136   1HH2  ARG  18          HH21      ARG  18  21.196  -8.567   4.533
  137   2HH2  ARG  18          HH22      ARG  18  21.748  -9.951   5.418
  138    H    CYS  19           HN       CYS  19  22.107  -2.930   1.539
  139    HA   CYS  19           HA       CYS  19  21.214  -1.306   3.604
  140   1HB   CYS  19           HB2      CYS  19  20.338  -2.079   1.250
  141   2HB   CYS  19           HB1      CYS  19  19.380  -3.220   2.199
  142    H    GLY  20           HN       GLY  20  20.669  -1.679   5.718
  143   1HA   GLY  20           HA2      GLY  20  20.831  -4.411   6.756
  144   2HA   GLY  20           HA1      GLY  20  20.603  -2.953   7.715
  145    H    ALA  21           HN       ALA  21  19.151  -5.068   8.462
  146    HA   ALA  21           HA       ALA  21  16.652  -5.618   7.285
  147   1HB   ALA  21           HB1      ALA  21  17.996  -5.808   9.865
  148   2HB   ALA  21           HB3      ALA  21  16.265  -5.535  10.057
  149   3HB   ALA  21           HB2      ALA  21  16.843  -6.921   9.130
  150    H    ASP  22           HN       ASP  22  17.793  -2.722   8.782
  151    HA   ASP  22           HA       ASP  22  15.049  -1.639   9.154
  152   1HB   ASP  22           HB2      ASP  22  17.536  -1.384  10.442
  153   2HB   ASP  22           HB1      ASP  22  17.285   0.164   9.634
  154    H    GLY  23           HN       GLY  23  14.287   0.103   7.874
  155   1HA   GLY  23           HA2      GLY  23  15.634   0.430   5.280
  156   2HA   GLY  23           HA1      GLY  23  14.062   1.098   5.723
  157    H    LYS  24           HN       LYS  24  17.410   1.445   6.978
  158    HA   LYS  24           HA       LYS  24  17.472   4.284   6.326
  159   1HB   LYS  24           HB2      LYS  24  16.637   3.254   8.999
  160   2HB   LYS  24           HB1      LYS  24  17.669   4.684   8.964
  161   1HG   LYS  24           HG2      LYS  24  15.903   5.396   7.062
  162   2HG   LYS  24           HG1      LYS  24  14.862   4.351   8.030
  163   1HD   LYS  24           HD2      LYS  24  16.021   5.756  10.015
  164   2HD   LYS  24           HD1      LYS  24  16.103   6.963   8.730
  165   1HE   LYS  24           HE2      LYS  24  13.548   5.471   9.408
  166   2HE   LYS  24           HE1      LYS  24  13.968   7.047  10.110
  167   1HZ   LYS  24           HZ3      LYS  24  14.140   6.599   7.198
  168   2HZ   LYS  24           HZ2      LYS  24  12.657   7.013   7.914
  169   3HZ   LYS  24           HZ1      LYS  24  13.986   8.063   8.040
  170    H    SER  25           HN       SER  25  19.154   1.642   6.350
  171    HA   SER  25           HA       SER  25  21.635   3.040   6.722
  172   1HB   SER  25           HB2      SER  25  22.264   1.381   8.680
  173   2HB   SER  25           HB1      SER  25  21.356   2.848   9.035
  174    HG   SER  25           HG       SER  25  20.175   1.274   9.951
  175    H    ALA  26           HN       ALA  26  23.497   1.211   6.815
  176    HA   ALA  26           HA       ALA  26  22.909  -1.391   5.731
  177   1HB   ALA  26           HB3      ALA  26  22.197   0.234   3.898
  178   2HB   ALA  26           HB2      ALA  26  23.900   0.658   3.732
  179   3HB   ALA  26           HB1      ALA  26  23.366  -0.987   3.404
  180    H    ALA  27           HN       ALA  27  24.775  -2.596   6.144
  181    HA   ALA  27           HA       ALA  27  27.210  -1.235   7.005
  182   1HB   ALA  27           HB2      ALA  27  26.523  -4.103   6.322
  183   2HB   ALA  27           HB1      ALA  27  28.092  -3.607   6.955
  184   3HB   ALA  27           HB3      ALA  27  26.640  -3.387   7.931
  185    H    CYS  28           HN       CYS  28  28.961  -0.722   5.715
  186    HA   CYS  28           HA       CYS  28  28.813  -1.649   2.887
  187   1HB   CYS  28           HB2      CYS  28  28.180   0.771   3.633
  188   2HB   CYS  28           HB1      CYS  28  29.914   1.009   3.706
  189    H    THR  29           HN       THR  29  30.990  -0.900   1.776
  190    HA   THR  29           HA       THR  29  33.325  -1.558   3.486
  191    HB   THR  29           HB       THR  29  32.062  -3.525   2.137
  192    HG1  THR  29           HG1      THR  29  34.068  -4.569   2.124
  193   1HG2  THR  29          HG22      THR  29  32.555  -2.070  -0.001
  194   2HG2  THR  29          HG21      THR  29  34.162  -2.786   0.127
  195   3HG2  THR  29          HG23      THR  29  32.747  -3.822  -0.066
  196    H    LEU  30           HN       LEU  30  35.347  -1.131   2.216
  197    HA   LEU  30           HA       LEU  30  34.916   1.263   0.496
  198   1HB   LEU  30           HB2      LEU  30  37.159   0.355   2.316
  199   2HB   LEU  30           HB1      LEU  30  37.215   1.827   1.346
  200    HG   LEU  30           HG       LEU  30  36.448   2.488   3.516
  201   1HD1  LEU  30          HD13      LEU  30  35.160   3.272   1.424
  202   2HD1  LEU  30          HD12      LEU  30  33.889   2.170   1.953
  203   3HD1  LEU  30          HD11      LEU  30  34.380   3.512   2.986
  204   1HD2  LEU  30          HD22      LEU  30  35.594  -0.070   3.824
  205   2HD2  LEU  30          HD21      LEU  30  35.086   1.253   4.875
  206   3HD2  LEU  30          HD23      LEU  30  34.053   0.741   3.539
  207    H    LYS  31           HN       LYS  31  36.730   1.669  -1.034
  208    HA   LYS  31           HA       LYS  31  38.597  -0.068  -2.113
  209   1HB   LYS  31           HB2      LYS  31  35.835  -0.971  -2.453
  210   2HB   LYS  31           HB1      LYS  31  36.644  -0.771  -4.007
  211   1HG   LYS  31           HG2      LYS  31  38.265  -2.371  -3.525
  212   2HG   LYS  31           HG1      LYS  31  38.088  -2.174  -1.782
  213   1HD   LYS  31           HD2      LYS  31  35.595  -3.031  -2.404
  214   2HD   LYS  31           HD1      LYS  31  36.521  -3.850  -3.664
  215   1HE   LYS  31           HE2      LYS  31  37.881  -4.994  -2.066
  216   2HE   LYS  31           HE1      LYS  31  37.323  -3.953  -0.741
  217   1HZ   LYS  31           HZ3      LYS  31  35.021  -4.746  -1.313
  218   2HZ   LYS  31           HZ2      LYS  31  35.747  -5.936  -2.283
  219   3HZ   LYS  31           HZ1      LYS  31  36.034  -5.910  -0.610
  220    H    ALA  32           HN       ALA  32  38.499   0.297  -4.783
  221    HA   ALA  32           HA       ALA  32  39.040   2.953  -5.336
  222   1HB   ALA  32           HB3      ALA  32  39.075   0.745  -6.763
  223   2HB   ALA  32           HB2      ALA  32  37.488   1.291  -7.304
  224   3HB   ALA  32           HB1      ALA  32  38.909   2.298  -7.582
  225    H    CYS  33           HN       CYS  33  37.803   4.741  -6.121
  226    HA   CYS  33           HA       CYS  33  34.832   4.515  -6.036
  227   1HB   CYS  33           HB2      CYS  33  36.594   6.343  -4.376
  228   2HB   CYS  33           HB1      CYS  33  34.858   6.592  -4.566
  229    HA   PRO  34           HA       PRO  34  35.481   6.995  -9.659
  230   1HB   PRO  34           HB2      PRO  34  32.854   7.737 -10.003
  231   2HB   PRO  34           HB1      PRO  34  33.493   6.146 -10.468
  232   1HG   PRO  34           HG2      PRO  34  32.027   6.938  -7.986
  233   2HG   PRO  34           HG1      PRO  34  31.806   5.510  -9.014
  234   1HD   PRO  34           HD2      PRO  34  33.164   5.357  -6.712
  235   2HD   PRO  34           HD1      PRO  34  33.673   4.430  -8.145
  236    H    ASN  35           HN       ASN  35  34.475   9.346 -10.304
  237    HA   ASN  35           HA       ASN  35  34.496  11.650  -9.773
  238   1HB   ASN  35           HB2      ASN  35  33.590  10.606  -7.074
  239   2HB   ASN  35           HB1      ASN  35  33.251  12.193  -7.766
  240   1HD2  ASN  35          HD22      ASN  35  30.878   9.067  -8.718
  241   2HD2  ASN  35          HD21      ASN  35  32.123   8.935  -7.571
  242    H    GLN  36           HN       GLN  36  36.949  11.371  -9.863
  243    HA   GLN  36           HA       GLN  36  38.119  12.103  -7.212
  244   1HB   GLN  36           HB2      GLN  36  38.314   9.606  -8.106
  245   2HB   GLN  36           HB1      GLN  36  39.607  10.298  -9.087
  246   1HG   GLN  36           HG2      GLN  36  40.449   9.413  -6.921
  247   2HG   GLN  36           HG1      GLN  36  40.714  11.150  -7.077
  248   1HE2  GLN  36          HE22      GLN  36  37.984   9.776  -4.339
  249   2HE2  GLN  36          HE21      GLN  36  38.527   8.743  -5.571
   
  No H/Q in entry =         249
  Start of MODEL    4
    1   1H    GLU   1           HT2      GLU   1  18.560   8.912   7.725
    2   2H    GLU   1           HT1      GLU   1  20.038   9.051   8.552
    3   3H    GLU   1           HT3      GLU   1  18.940  10.344   8.557
    4    HA   GLU   1           HA       GLU   1  19.445  10.992   6.424
    5   1HB   GLU   1           HB2      GLU   1  21.478  10.407   8.252
    6   2HB   GLU   1           HB1      GLU   1  22.086   9.783   6.718
    7   1HG   GLU   1           HG2      GLU   1  20.800  12.471   6.668
    8   2HG   GLU   1           HG1      GLU   1  22.388  12.355   7.428
    9    H    ILE   2           HN       ILE   2  20.077   7.567   6.977
   10    HA   ILE   2           HA       ILE   2  20.389   7.101   4.044
   11    HB   ILE   2           HB       ILE   2  20.895   5.538   6.564
   12   1HG1  ILE   2          HG12      ILE   2  22.542   6.665   4.308
   13   2HG1  ILE   2          HG11      ILE   2  22.762   6.881   6.043
   14   1HG2  ILE   2          HG22      ILE   2  20.926   4.477   3.734
   15   2HG2  ILE   2          HG21      ILE   2  21.583   3.629   5.130
   16   3HG2  ILE   2          HG23      ILE   2  19.855   3.961   5.039
   17   1HD1  ILE   2          HD13      ILE   2  23.240   4.353   6.129
   18   2HD1  ILE   2          HD12      ILE   2  23.384   4.437   4.374
   19   3HD1  ILE   2          HD11      ILE   2  24.481   5.369   5.394
   20    H    SER   3           HN       SER   3  19.273   5.092   3.270
   21    HA   SER   3           HA       SER   3  17.027   3.961   4.580
   22   1HB   SER   3           HB2      SER   3  15.554   5.333   2.649
   23   2HB   SER   3           HB1      SER   3  15.592   5.715   4.368
   24    HG   SER   3           HG       SER   3  16.301   7.303   2.515
   25    H    CYS   4           HN       CYS   4  16.139   2.259   3.302
   26    HA   CYS   4           HA       CYS   4  16.369   2.010   0.473
   27   1HB   CYS   4           HB2      CYS   4  18.341   0.322   0.593
   28   2HB   CYS   4           HB1      CYS   4  18.722   2.038   0.672
   29    H    GLU   5           HN       GLU   5  16.344  -0.459  -0.143
   30    HA   GLU   5           HA       GLU   5  14.146  -1.710   1.197
   31   1HB   GLU   5           HB2      GLU   5  16.278  -2.594  -0.757
   32   2HB   GLU   5           HB1      GLU   5  15.019  -3.702  -0.209
   33   1HG   GLU   5           HG2      GLU   5  13.280  -2.225  -1.042
   34   2HG   GLU   5           HG1      GLU   5  14.473  -0.996  -1.460
   35    HA   PRO   6           HA       PRO   6  16.706  -3.002   4.667
   36   1HB   PRO   6           HB2      PRO   6  14.595  -4.069   6.076
   37   2HB   PRO   6           HB1      PRO   6  15.009  -2.342   6.080
   38   1HG   PRO   6           HG2      PRO   6  12.949  -3.794   4.476
   39   2HG   PRO   6           HG1      PRO   6  12.827  -2.240   5.323
   40   1HD   PRO   6           HD2      PRO   6  13.199  -2.350   2.672
   41   2HD   PRO   6           HD1      PRO   6  13.976  -1.093   3.664
   42    H    GLY   7           HN       GLY   7  17.852  -4.867   4.594
   43   1HA   GLY   7           HA2      GLY   7  17.994  -7.288   4.801
   44   2HA   GLY   7           HA1      GLY   7  16.416  -7.411   4.020
   45    H    LYS   8           HN       LYS   8  17.710  -5.149   2.186
   46    HA   LYS   8           HA       LYS   8  18.834  -7.144   0.269
   47   1HB   LYS   8           HB2      LYS   8  17.824  -4.327  -0.199
   48   2HB   LYS   8           HB1      LYS   8  18.150  -5.553  -1.424
   49   1HG   LYS   8           HG2      LYS   8  16.101  -5.889   0.784
   50   2HG   LYS   8           HG1      LYS   8  15.708  -5.326  -0.841
   51   1HD   LYS   8           HD2      LYS   8  16.278  -7.385  -1.828
   52   2HD   LYS   8           HD1      LYS   8  17.233  -7.892  -0.435
   53   1HE   LYS   8           HE2      LYS   8  14.767  -7.551   0.719
   54   2HE   LYS   8           HE1      LYS   8  14.327  -8.142  -0.896
   55   1HZ   LYS   8           HZ3      LYS   8  16.436  -9.675  -0.353
   56   2HZ   LYS   8           HZ2      LYS   8  15.817  -9.472   1.216
   57   3HZ   LYS   8           HZ1      LYS   8  14.841 -10.136  -0.007
   58    H    THR   9           HN       THR   9  20.492  -6.103  -1.256
   59    HA   THR   9           HA       THR   9  22.411  -4.457   0.349
   60    HB   THR   9           HB       THR   9  23.086  -6.484  -1.790
   61    HG1  THR   9           HG1      THR   9  23.374  -7.942  -0.082
   62   1HG2  THR   9          HG23      THR   9  24.786  -4.775  -1.046
   63   2HG2  THR   9          HG22      THR   9  24.697  -5.483   0.567
   64   3HG2  THR   9          HG21      THR   9  25.274  -6.449  -0.790
   65    H    PHE  10           HN       PHE  10  23.877  -3.129  -1.000
   66    HA   PHE  10           HA       PHE  10  23.183  -2.674  -3.804
   67   1HB   PHE  10           HB2      PHE  10  22.510  -0.267  -3.315
   68   2HB   PHE  10           HB1      PHE  10  21.344  -1.496  -2.850
   69    HD1  PHE  10           HD2      PHE  10  24.170  -1.563  -0.632
   70    HD2  PHE  10           HD1      PHE  10  20.531   0.564  -1.464
   71    HE1  PHE  10           HE2      PHE  10  24.128  -0.714   1.673
   72    HE2  PHE  10           HE1      PHE  10  20.535   1.443   0.847
   73    HZ   PHE  10           HZ       PHE  10  22.359   0.811   2.397
   74    H    LYS  11           HN       LYS  11  24.203  -0.123  -4.078
   75    HA   LYS  11           HA       LYS  11  27.073  -0.603  -3.416
   76   1HB   LYS  11           HB2      LYS  11  26.343  -0.308  -5.767
   77   2HB   LYS  11           HB1      LYS  11  25.680   1.274  -5.359
   78   1HG   LYS  11           HG2      LYS  11  27.703   2.234  -5.575
   79   2HG   LYS  11           HG1      LYS  11  28.407   1.090  -4.432
   80   1HD   LYS  11           HD2      LYS  11  27.957   0.573  -7.386
   81   2HD   LYS  11           HD1      LYS  11  29.512   0.925  -6.632
   82   1HE   LYS  11           HE2      LYS  11  29.755  -1.227  -5.952
   83   2HE   LYS  11           HE1      LYS  11  28.110  -1.265  -5.286
   84   1HZ   LYS  11           HZ2      LYS  11  28.745  -1.390  -8.185
   85   2HZ   LYS  11           HZ1      LYS  11  28.403  -2.752  -7.228
   86   3HZ   LYS  11           HZ3      LYS  11  27.214  -1.566  -7.470
   87    H    ASP  12           HN       ASP  12  25.041   2.325  -3.820
   88    HA   ASP  12           HA       ASP  12  25.044   4.352  -2.602
   89   1HB   ASP  12           HB2      ASP  12  24.412   2.337  -0.935
   90   2HB   ASP  12           HB1      ASP  12  25.937   2.821  -0.193
   91    H    LYS  13           HN       LYS  13  26.603   5.801  -1.272
   92    HA   LYS  13           HA       LYS  13  28.772   6.789  -1.257
   93   1HB   LYS  13           HB2      LYS  13  29.633   3.957  -0.635
   94   2HB   LYS  13           HB1      LYS  13  30.262   5.460   0.039
   95   1HG   LYS  13           HG2      LYS  13  27.527   4.255   0.545
   96   2HG   LYS  13           HG1      LYS  13  28.847   4.401   1.705
   97   1HD   LYS  13           HD2      LYS  13  28.739   6.918   1.321
   98   2HD   LYS  13           HD1      LYS  13  27.228   6.631   0.459
   99   1HE   LYS  13           HE2      LYS  13  26.532   7.086   2.687
  100   2HE   LYS  13           HE1      LYS  13  26.524   5.313   2.606
  101   1HZ   LYS  13           HZ2      LYS  13  28.909   6.881   3.411
  102   2HZ   LYS  13           HZ1      LYS  13  27.780   6.289   4.536
  103   3HZ   LYS  13           HZ3      LYS  13  28.662   5.207   3.570
  104    H    CYS  14           HN       CYS  14  31.167   4.911  -1.811
  105    HA   CYS  14           HA       CYS  14  30.875   4.838  -4.797
  106   1HB   CYS  14           HB2      CYS  14  33.188   5.588  -4.894
  107   2HB   CYS  14           HB1      CYS  14  32.285   6.688  -3.849
  108    H    ASN  15           HN       ASN  15  30.902   2.787  -2.301
  109    HA   ASN  15           HA       ASN  15  32.672   0.843  -3.723
  110   1HB   ASN  15           HB2      ASN  15  32.430   1.638  -0.837
  111   2HB   ASN  15           HB1      ASN  15  32.973   0.003  -1.238
  112   1HD2  ASN  15          HD22      ASN  15  35.577   3.026  -1.594
  113   2HD2  ASN  15          HD21      ASN  15  34.121   3.130  -0.723
  114    H    THR  16           HN       THR  16  31.302  -0.579  -0.996
  115    HA   THR  16           HA       THR  16  28.784  -1.253  -2.464
  116    HB   THR  16           HB       THR  16  29.923  -3.621  -1.337
  117    HG1  THR  16           HG1      THR  16  31.897  -2.478  -1.727
  118   1HG2  THR  16          HG23      THR  16  28.503  -2.719  -3.618
  119   2HG2  THR  16          HG22      THR  16  29.935  -3.566  -4.204
  120   3HG2  THR  16          HG21      THR  16  28.805  -4.384  -3.125
  121    H    CYS  17           HN       CYS  17  27.135  -1.149  -1.085
  122    HA   CYS  17           HA       CYS  17  27.635  -1.577   1.826
  123   1HB   CYS  17           HB2      CYS  17  25.463  -0.009   0.452
  124   2HB   CYS  17           HB1      CYS  17  25.780  -0.062   2.184
  125    H    ARG  18           HN       ARG  18  25.482  -2.150   2.965
  126    HA   ARG  18           HA       ARG  18  23.829  -4.068   1.409
  127   1HB   ARG  18           HB2      ARG  18  25.629  -5.388   2.379
  128   2HB   ARG  18           HB1      ARG  18  25.414  -4.602   3.944
  129   1HG   ARG  18           HG2      ARG  18  23.185  -5.577   4.169
  130   2HG   ARG  18           HG1      ARG  18  23.314  -6.299   2.565
  131   1HD   ARG  18           HD2      ARG  18  25.231  -7.664   3.320
  132   2HD   ARG  18           HD1      ARG  18  25.104  -6.941   4.938
  133    HE   ARG  18           HE       ARG  18  22.858  -8.484   3.687
  134   1HH1  ARG  18          HH11      ARG  18  25.256  -8.533   6.046
  135   2HH1  ARG  18          HH12      ARG  18  24.214  -9.015   7.342
  136   1HH2  ARG  18          HH21      ARG  18  21.306  -8.665   5.485
  137   2HH2  ARG  18          HH22      ARG  18  21.976  -9.091   7.024
  138    H    CYS  19           HN       CYS  19  21.929  -2.792   1.697
  139    HA   CYS  19           HA       CYS  19  21.253  -1.211   3.909
  140   1HB   CYS  19           HB2      CYS  19  20.132  -1.480   1.653
  141   2HB   CYS  19           HB1      CYS  19  19.335  -2.923   2.302
  142    H    GLY  20           HN       GLY  20  20.792  -1.663   6.002
  143   1HA   GLY  20           HA2      GLY  20  20.852  -4.410   6.948
  144   2HA   GLY  20           HA1      GLY  20  20.600  -2.981   7.947
  145    H    ALA  21           HN       ALA  21  19.100  -4.998   8.696
  146    HA   ALA  21           HA       ALA  21  16.669  -5.637   7.449
  147   1HB   ALA  21           HB2      ALA  21  17.936  -5.908   9.945
  148   2HB   ALA  21           HB1      ALA  21  16.381  -5.155  10.297
  149   3HB   ALA  21           HB3      ALA  21  16.441  -6.692   9.436
  150    H    ASP  22           HN       ASP  22  17.692  -2.618   8.809
  151    HA   ASP  22           HA       ASP  22  14.903  -1.564   8.851
  152   1HB   ASP  22           HB2      ASP  22  15.846   0.195  10.176
  153   2HB   ASP  22           HB1      ASP  22  16.638  -1.281  10.728
  154    H    GLY  23           HN       GLY  23  14.297   0.149   7.454
  155   1HA   GLY  23           HA2      GLY  23  15.933   0.412   5.023
  156   2HA   GLY  23           HA1      GLY  23  14.320   1.087   5.265
  157    H    LYS  24           HN       LYS  24  17.449   1.477   6.984
  158    HA   LYS  24           HA       LYS  24  17.532   4.329   6.265
  159   1HB   LYS  24           HB2      LYS  24  16.620   3.239   8.895
  160   2HB   LYS  24           HB1      LYS  24  17.604   4.704   8.910
  161   1HG   LYS  24           HG2      LYS  24  15.897   5.394   6.961
  162   2HG   LYS  24           HG1      LYS  24  14.852   4.282   7.846
  163   1HD   LYS  24           HD2      LYS  24  16.341   6.112   9.594
  164   2HD   LYS  24           HD1      LYS  24  15.241   6.939   8.489
  165   1HE   LYS  24           HE2      LYS  24  13.775   6.468  10.238
  166   2HE   LYS  24           HE1      LYS  24  13.582   4.984   9.281
  167   1HZ   LYS  24           HZ2      LYS  24  15.471   4.043  10.556
  168   2HZ   LYS  24           HZ1      LYS  24  15.433   5.409  11.565
  169   3HZ   LYS  24           HZ3      LYS  24  14.104   4.357  11.515
  170    H    SER  25           HN       SER  25  19.227   1.635   6.496
  171    HA   SER  25           HA       SER  25  21.691   3.087   6.885
  172   1HB   SER  25           HB2      SER  25  22.253   1.453   8.897
  173   2HB   SER  25           HB1      SER  25  21.355   2.939   9.191
  174    HG   SER  25           HG       SER  25  20.119   1.409  10.103
  175    H    ALA  26           HN       ALA  26  23.571   1.277   7.048
  176    HA   ALA  26           HA       ALA  26  23.003  -1.349   6.001
  177   1HB   ALA  26           HB1      ALA  26  22.509   0.608   4.203
  178   2HB   ALA  26           HB3      ALA  26  24.219   0.337   3.877
  179   3HB   ALA  26           HB2      ALA  26  23.074  -0.990   3.734
  180    H    ALA  27           HN       ALA  27  24.916  -2.595   6.079
  181    HA   ALA  27           HA       ALA  27  27.346  -1.238   7.073
  182   1HB   ALA  27           HB2      ALA  27  26.186  -3.810   7.206
  183   2HB   ALA  27           HB1      ALA  27  27.682  -4.005   6.292
  184   3HB   ALA  27           HB3      ALA  27  27.723  -3.303   7.909
  185    H    CYS  28           HN       CYS  28  29.176  -0.854   5.763
  186    HA   CYS  28           HA       CYS  28  28.903  -1.738   2.927
  187   1HB   CYS  28           HB2      CYS  28  28.336   0.687   3.691
  188   2HB   CYS  28           HB1      CYS  28  30.076   0.895   3.721
  189    H    THR  29           HN       THR  29  31.029  -1.086   1.737
  190    HA   THR  29           HA       THR  29  33.430  -1.728   3.365
  191    HB   THR  29           HB       THR  29  32.101  -3.674   2.009
  192    HG1  THR  29           HG1      THR  29  33.958  -4.788   2.219
  193   1HG2  THR  29          HG23      THR  29  32.719  -2.150  -0.098
  194   2HG2  THR  29          HG22      THR  29  34.229  -3.054   0.014
  195   3HG2  THR  29          HG21      THR  29  32.703  -3.911  -0.201
  196    H    LEU  30           HN       LEU  30  35.401  -1.199   2.066
  197    HA   LEU  30           HA       LEU  30  34.817   1.120   0.283
  198   1HB   LEU  30           HB2      LEU  30  37.294   0.557   1.923
  199   2HB   LEU  30           HB1      LEU  30  36.797   2.096   1.219
  200    HG   LEU  30           HG       LEU  30  35.050   0.656   3.219
  201   1HD1  LEU  30          HD11      LEU  30  37.474   2.352   3.686
  202   2HD1  LEU  30          HD13      LEU  30  36.112   2.459   4.802
  203   3HD1  LEU  30          HD12      LEU  30  36.929   0.916   4.553
  204   1HD2  LEU  30          HD21      LEU  30  35.194   3.353   1.937
  205   2HD2  LEU  30          HD23      LEU  30  33.783   2.363   2.310
  206   3HD2  LEU  30          HD22      LEU  30  34.595   3.260   3.593
  207    H    LYS  31           HN       LYS  31  36.659   1.621  -1.207
  208    HA   LYS  31           HA       LYS  31  38.618  -0.125  -2.185
  209   1HB   LYS  31           HB2      LYS  31  35.949  -1.097  -2.548
  210   2HB   LYS  31           HB1      LYS  31  36.561  -0.634  -4.135
  211   1HG   LYS  31           HG2      LYS  31  38.524  -2.033  -3.849
  212   2HG   LYS  31           HG1      LYS  31  38.063  -2.405  -2.187
  213   1HD   LYS  31           HD2      LYS  31  37.019  -4.218  -3.055
  214   2HD   LYS  31           HD1      LYS  31  35.792  -3.081  -3.614
  215   1HE   LYS  31           HE2      LYS  31  37.514  -2.769  -5.636
  216   2HE   LYS  31           HE1      LYS  31  37.974  -4.417  -5.164
  217   1HZ   LYS  31           HZ1      LYS  31  35.542  -4.928  -5.104
  218   2HZ   LYS  31           HZ3      LYS  31  35.258  -3.426  -5.836
  219   3HZ   LYS  31           HZ2      LYS  31  36.154  -4.612  -6.657
  220    H    ALA  32           HN       ALA  32  38.838   0.367  -4.765
  221    HA   ALA  32           HA       ALA  32  39.274   3.079  -5.175
  222   1HB   ALA  32           HB2      ALA  32  39.150   0.675  -6.697
  223   2HB   ALA  32           HB1      ALA  32  38.273   1.910  -7.601
  224   3HB   ALA  32           HB3      ALA  32  39.950   2.185  -7.133
  225    H    CYS  33           HN       CYS  33  38.015   4.791  -6.098
  226    HA   CYS  33           HA       CYS  33  35.069   4.313  -6.309
  227   1HB   CYS  33           HB2      CYS  33  36.545   6.453  -4.739
  228   2HB   CYS  33           HB1      CYS  33  34.799   6.442  -4.991
  229    HA   PRO  34           HA       PRO  34  35.632   6.541 -10.074
  230   1HB   PRO  34           HB2      PRO  34  33.021   7.335 -10.423
  231   2HB   PRO  34           HB1      PRO  34  33.601   5.691 -10.761
  232   1HG   PRO  34           HG2      PRO  34  32.221   6.742  -8.327
  233   2HG   PRO  34           HG1      PRO  34  31.933   5.237  -9.220
  234   1HD   PRO  34           HD2      PRO  34  33.342   5.240  -6.945
  235   2HD   PRO  34           HD1      PRO  34  33.790   4.179  -8.302
  236    H    ASN  35           HN       ASN  35  36.114   8.678 -10.568
  237    HA   ASN  35           HA       ASN  35  36.329  10.665  -8.580
  238   1HB   ASN  35           HB2      ASN  35  36.568  10.377 -11.481
  239   2HB   ASN  35           HB1      ASN  35  36.055  11.999 -11.014
  240   1HD2  ASN  35          HD22      ASN  35  39.842  11.674 -10.868
  241   2HD2  ASN  35          HD21      ASN  35  38.717  11.281 -12.077
  242    H    GLN  36           HN       GLN  36  35.147  12.900  -8.845
  243    HA   GLN  36           HA       GLN  36  32.493  13.086  -9.865
  244   1HB   GLN  36           HB2      GLN  36  31.877  11.326  -8.389
  245   2HB   GLN  36           HB1      GLN  36  32.854  11.983  -7.074
  246   1HG   GLN  36           HG2      GLN  36  30.622  13.639  -8.206
  247   2HG   GLN  36           HG1      GLN  36  30.244  12.345  -7.069
  248   1HE2  GLN  36          HE22      GLN  36  30.874  15.386  -5.026
  249   2HE2  GLN  36          HE21      GLN  36  29.716  14.903  -6.169
   
  No H/Q in entry =         249
  Start of MODEL    5
    1   1H    GLU   1           HT2      GLU   1  19.716  11.295   5.961
    2   2H    GLU   1           HT1      GLU   1  19.657  11.833   7.571
    3   3H    GLU   1           HT3      GLU   1  21.135  11.355   6.893
    4    HA   GLU   1           HA       GLU   1  20.573   9.500   8.145
    5   1HB   GLU   1           HB2      GLU   1  18.205   8.795   8.313
    6   2HB   GLU   1           HB1      GLU   1  18.388  10.496   8.745
    7   1HG   GLU   1           HG2      GLU   1  17.796  11.080   6.361
    8   2HG   GLU   1           HG1      GLU   1  17.410   9.378   6.106
    9    H    ILE   2           HN       ILE   2  19.284   7.286   7.276
   10    HA   ILE   2           HA       ILE   2  20.002   7.049   4.367
   11    HB   ILE   2           HB       ILE   2  20.568   5.320   6.762
   12   1HG1  ILE   2          HG12      ILE   2  22.171   6.679   4.606
   13   2HG1  ILE   2          HG11      ILE   2  22.374   6.780   6.353
   14   1HG2  ILE   2          HG21      ILE   2  20.657   4.472   3.864
   15   2HG2  ILE   2          HG23      ILE   2  21.343   3.552   5.199
   16   3HG2  ILE   2          HG22      ILE   2  19.604   3.815   5.118
   17   1HD1  ILE   2          HD12      ILE   2  22.927   4.243   6.221
   18   2HD1  ILE   2          HD11      ILE   2  23.154   4.532   4.497
   19   3HD1  ILE   2          HD13      ILE   2  24.155   5.385   5.672
   20    H    SER   3           HN       SER   3  18.993   5.042   3.435
   21    HA   SER   3           HA       SER   3  16.776   3.728   4.623
   22   1HB   SER   3           HB2      SER   3  14.975   4.926   3.315
   23   2HB   SER   3           HB1      SER   3  15.748   5.943   4.528
   24    HG   SER   3           HG       SER   3  16.012   5.946   1.730
   25    H    CYS   4           HN       CYS   4  15.973   2.086   3.181
   26    HA   CYS   4           HA       CYS   4  16.287   2.026   0.362
   27   1HB   CYS   4           HB2      CYS   4  18.397   0.489   0.426
   28   2HB   CYS   4           HB1      CYS   4  18.621   2.228   0.567
   29    H    GLU   5           HN       GLU   5  16.388  -0.339  -0.462
   30    HA   GLU   5           HA       GLU   5  14.328  -1.913   0.587
   31   1HB   GLU   5           HB2      GLU   5  16.841  -2.469  -0.986
   32   2HB   GLU   5           HB1      GLU   5  15.766  -3.798  -0.549
   33   1HG   GLU   5           HG2      GLU   5  14.483  -3.264  -2.319
   34   2HG   GLU   5           HG1      GLU   5  14.089  -1.745  -1.513
   35    HA   PRO   6           HA       PRO   6  16.480  -2.749   4.468
   36   1HB   PRO   6           HB2      PRO   6  14.264  -3.845   5.683
   37   2HB   PRO   6           HB1      PRO   6  14.573  -2.098   5.591
   38   1HG   PRO   6           HG2      PRO   6  12.834  -3.802   3.858
   39   2HG   PRO   6           HG1      PRO   6  12.506  -2.207   4.561
   40   1HD   PRO   6           HD2      PRO   6  13.235  -2.472   1.997
   41   2HD   PRO   6           HD1      PRO   6  13.791  -1.097   2.981
   42    H    GLY   7           HN       GLY   7  17.801  -4.505   4.455
   43   1HA   GLY   7           HA2      GLY   7  18.089  -6.885   4.910
   44   2HA   GLY   7           HA1      GLY   7  16.567  -7.190   4.071
   45    H    LYS   8           HN       LYS   8  17.854  -5.013   2.093
   46    HA   LYS   8           HA       LYS   8  19.172  -7.121   0.435
   47   1HB   LYS   8           HB2      LYS   8  17.686  -4.561  -0.118
   48   2HB   LYS   8           HB1      LYS   8  18.702  -5.299  -1.357
   49   1HG   LYS   8           HG2      LYS   8  16.376  -6.075  -1.581
   50   2HG   LYS   8           HG1      LYS   8  17.437  -7.411  -1.131
   51   1HD   LYS   8           HD2      LYS   8  16.685  -7.405   1.115
   52   2HD   LYS   8           HD1      LYS   8  15.964  -5.802   0.955
   53   1HE   LYS   8           HE2      LYS   8  14.101  -6.610  -0.202
   54   2HE   LYS   8           HE1      LYS   8  14.967  -8.044  -0.791
   55   1HZ   LYS   8           HZ2      LYS   8  15.134  -8.812   1.518
   56   2HZ   LYS   8           HZ1      LYS   8  14.202  -7.485   2.027
   57   3HZ   LYS   8           HZ3      LYS   8  13.515  -8.666   1.020
   58    H    THR   9           HN       THR   9  20.757  -5.961  -1.210
   59    HA   THR   9           HA       THR   9  22.591  -4.208   0.379
   60    HB   THR   9           HB       THR   9  23.364  -6.331  -1.630
   61    HG1  THR   9           HG1      THR   9  23.669  -6.727   1.103
   62   1HG2  THR   9          HG23      THR   9  25.010  -4.518  -1.057
   63   2HG2  THR   9          HG22      THR   9  24.949  -5.068   0.618
   64   3HG2  THR   9          HG21      THR   9  25.557  -6.141  -0.642
   65    H    PHE  10           HN       PHE  10  24.071  -2.918  -1.000
   66    HA   PHE  10           HA       PHE  10  23.430  -2.568  -3.832
   67   1HB   PHE  10           HB2      PHE  10  22.713  -0.147  -3.401
   68   2HB   PHE  10           HB1      PHE  10  21.549  -1.392  -2.974
   69    HD1  PHE  10           HD1      PHE  10  24.321  -1.343  -0.660
   70    HD2  PHE  10           HD2      PHE  10  20.613   0.602  -1.615
   71    HE1  PHE  10           HE1      PHE  10  24.154  -0.505   1.647
   72    HE2  PHE  10           HE2      PHE  10  20.496   1.476   0.692
   73    HZ   PHE  10           HZ       PHE  10  22.292   0.932   2.307
   74    H    LYS  11           HN       LYS  11  24.392   0.010  -4.138
   75    HA   LYS  11           HA       LYS  11  27.258  -0.343  -3.363
   76   1HB   LYS  11           HB2      LYS  11  26.199  -0.038  -5.777
   77   2HB   LYS  11           HB1      LYS  11  26.207   1.670  -5.336
   78   1HG   LYS  11           HG2      LYS  11  28.602   1.602  -4.913
   79   2HG   LYS  11           HG1      LYS  11  28.635  -0.139  -5.193
   80   1HD   LYS  11           HD2      LYS  11  27.541   0.560  -7.514
   81   2HD   LYS  11           HD1      LYS  11  28.347   2.091  -7.166
   82   1HE   LYS  11           HE2      LYS  11  29.811   0.557  -8.483
   83   2HE   LYS  11           HE1      LYS  11  30.500   0.891  -6.881
   84   1HZ   LYS  11           HZ1      LYS  11  28.601  -1.319  -7.109
   85   2HZ   LYS  11           HZ3      LYS  11  30.154  -1.569  -7.744
   86   3HZ   LYS  11           HZ2      LYS  11  29.962  -1.160  -6.106
   87    H    ASP  12           HN       ASP  12  24.804   2.245  -3.712
   88    HA   ASP  12           HA       ASP  12  24.509   4.255  -2.516
   89   1HB   ASP  12           HB2      ASP  12  24.123   2.734  -0.698
   90   2HB   ASP  12           HB1      ASP  12  25.848   2.415  -0.526
   91    H    LYS  13           HN       LYS  13  27.356   3.735  -0.585
   92    HA   LYS  13           HA       LYS  13  28.569   6.190  -1.252
   93   1HB   LYS  13           HB2      LYS  13  29.801   3.610  -0.238
   94   2HB   LYS  13           HB1      LYS  13  30.524   5.211  -0.090
   95   1HG   LYS  13           HG2      LYS  13  27.783   4.564   1.014
   96   2HG   LYS  13           HG1      LYS  13  29.256   4.379   1.963
   97   1HD   LYS  13           HD2      LYS  13  29.540   6.627   2.202
   98   2HD   LYS  13           HD1      LYS  13  28.995   6.968   0.558
   99   1HE   LYS  13           HE2      LYS  13  26.635   6.484   1.311
  100   2HE   LYS  13           HE1      LYS  13  27.249   6.383   2.973
  101   1HZ   LYS  13           HZ3      LYS  13  27.863   8.682   1.212
  102   2HZ   LYS  13           HZ2      LYS  13  26.474   8.656   2.190
  103   3HZ   LYS  13           HZ1      LYS  13  28.016   8.580   2.898
  104    H    CYS  14           HN       CYS  14  31.297   5.291  -1.784
  105    HA   CYS  14           HA       CYS  14  31.061   4.939  -4.722
  106   1HB   CYS  14           HB2      CYS  14  33.357   5.710  -4.723
  107   2HB   CYS  14           HB1      CYS  14  32.459   6.725  -3.594
  108    H    ASN  15           HN       ASN  15  31.131   2.872  -2.184
  109    HA   ASN  15           HA       ASN  15  32.785   0.884  -3.684
  110   1HB   ASN  15           HB2      ASN  15  32.636   1.672  -0.795
  111   2HB   ASN  15           HB1      ASN  15  33.062   0.003  -1.193
  112   1HD2  ASN  15          HD22      ASN  15  35.896   2.780  -1.532
  113   2HD2  ASN  15          HD21      ASN  15  34.492   2.945  -0.590
  114    H    THR  16           HN       THR  16  31.363  -0.479  -0.925
  115    HA   THR  16           HA       THR  16  28.832  -1.075  -2.405
  116    HB   THR  16           HB       THR  16  29.719  -3.508  -1.331
  117    HG1  THR  16           HG1      THR  16  31.709  -2.674  -3.071
  118   1HG2  THR  16          HG22      THR  16  28.585  -2.549  -3.623
  119   2HG2  THR  16          HG21      THR  16  30.182  -3.022  -4.202
  120   3HG2  THR  16          HG23      THR  16  29.142  -4.209  -3.414
  121    H    CYS  17           HN       CYS  17  27.177  -0.852  -1.020
  122    HA   CYS  17           HA       CYS  17  27.676  -1.259   1.882
  123   1HB   CYS  17           HB2      CYS  17  25.520   0.289   0.459
  124   2HB   CYS  17           HB1      CYS  17  25.755   0.210   2.204
  125    H    ARG  18           HN       ARG  18  25.495  -1.805   3.035
  126    HA   ARG  18           HA       ARG  18  23.920  -3.816   1.519
  127   1HB   ARG  18           HB2      ARG  18  25.700  -5.088   2.532
  128   2HB   ARG  18           HB1      ARG  18  25.522  -4.222   4.058
  129   1HG   ARG  18           HG2      ARG  18  23.344  -5.209   4.439
  130   2HG   ARG  18           HG1      ARG  18  23.351  -5.946   2.836
  131   1HD   ARG  18           HD2      ARG  18  25.668  -6.968   3.787
  132   2HD   ARG  18           HD1      ARG  18  24.769  -6.802   5.308
  133    HE   ARG  18           HE       ARG  18  23.272  -7.987   3.057
  134   1HH1  ARG  18          HH21      ARG  18  22.555  -8.329   5.960
  135   2HH1  ARG  18          HH22      ARG  18  23.088  -9.948   6.269
  136   1HH2  ARG  18          HH11      ARG  18  25.074 -10.120   3.432
  137   2HH2  ARG  18          HH12      ARG  18  24.514 -10.961   4.839
  138    H    CYS  19           HN       CYS  19  21.985  -2.560   1.729
  139    HA   CYS  19           HA       CYS  19  21.193  -0.982   3.904
  140   1HB   CYS  19           HB2      CYS  19  20.141  -1.381   1.611
  141   2HB   CYS  19           HB1      CYS  19  19.352  -2.800   2.327
  142    H    GLY  20           HN       GLY  20  21.143  -1.550   6.018
  143   1HA   GLY  20           HA2      GLY  20  21.152  -4.248   6.963
  144   2HA   GLY  20           HA1      GLY  20  20.878  -2.826   7.965
  145    H    ALA  21           HN       ALA  21  19.440  -4.799   8.811
  146    HA   ALA  21           HA       ALA  21  17.088  -5.726   7.742
  147   1HB   ALA  21           HB3      ALA  21  17.937  -4.731  10.434
  148   2HB   ALA  21           HB2      ALA  21  16.237  -5.140  10.208
  149   3HB   ALA  21           HB1      ALA  21  17.481  -6.361   9.939
  150    H    ASP  22           HN       ASP  22  16.682  -2.955   9.917
  151    HA   ASP  22           HA       ASP  22  14.315  -1.982   8.724
  152   1HB   ASP  22           HB2      ASP  22  15.806  -1.417  10.907
  153   2HB   ASP  22           HB1      ASP  22  16.253  -0.044   9.894
  154    H    GLY  23           HN       GLY  23  13.952  -0.324   7.151
  155   1HA   GLY  23           HA2      GLY  23  16.079  -0.072   5.143
  156   2HA   GLY  23           HA1      GLY  23  14.435   0.550   4.994
  157    H    LYS  24           HN       LYS  24  17.388   1.134   6.946
  158    HA   LYS  24           HA       LYS  24  17.244   4.002   6.333
  159   1HB   LYS  24           HB2      LYS  24  16.355   2.768   8.905
  160   2HB   LYS  24           HB1      LYS  24  17.231   4.296   8.994
  161   1HG   LYS  24           HG2      LYS  24  15.431   4.716   6.922
  162   2HG   LYS  24           HG1      LYS  24  14.499   3.776   8.087
  163   1HD   LYS  24           HD2      LYS  24  16.025   5.720   9.529
  164   2HD   LYS  24           HD1      LYS  24  15.184   6.542   8.215
  165   1HE   LYS  24           HE2      LYS  24  13.482   4.567   9.560
  166   2HE   LYS  24           HE1      LYS  24  14.035   5.858  10.646
  167   1HZ   LYS  24           HZ3      LYS  24  13.422   7.471   8.909
  168   2HZ   LYS  24           HZ2      LYS  24  12.771   6.209   7.978
  169   3HZ   LYS  24           HZ1      LYS  24  12.083   6.604   9.481
  170    H    SER  25           HN       SER  25  19.131   1.500   6.414
  171    HA   SER  25           HA       SER  25  21.473   3.082   6.959
  172   1HB   SER  25           HB2      SER  25  22.132   1.353   8.856
  173   2HB   SER  25           HB1      SER  25  21.116   2.738   9.245
  174    HG   SER  25           HG       SER  25  20.495   0.037   9.063
  175    H    ALA  26           HN       ALA  26  23.461   1.335   7.061
  176    HA   ALA  26           HA       ALA  26  23.039  -1.208   5.786
  177   1HB   ALA  26           HB2      ALA  26  22.635   0.988   4.144
  178   2HB   ALA  26           HB1      ALA  26  24.292   0.511   3.774
  179   3HB   ALA  26           HB3      ALA  26  22.978  -0.647   3.590
  180    H    ALA  27           HN       ALA  27  24.915  -2.376   6.158
  181    HA   ALA  27           HA       ALA  27  27.326  -0.965   7.088
  182   1HB   ALA  27           HB1      ALA  27  26.210  -3.470   7.440
  183   2HB   ALA  27           HB3      ALA  27  27.544  -3.797   6.336
  184   3HB   ALA  27           HB2      ALA  27  27.857  -3.025   7.890
  185    H    CYS  28           HN       CYS  28  29.173  -0.608   5.785
  186    HA   CYS  28           HA       CYS  28  28.878  -1.507   2.960
  187   1HB   CYS  28           HB2      CYS  28  28.495   0.958   3.779
  188   2HB   CYS  28           HB1      CYS  28  30.245   1.031   3.717
  189    H    THR  29           HN       THR  29  31.050  -0.929   1.780
  190    HA   THR  29           HA       THR  29  33.406  -1.767   3.387
  191    HB   THR  29           HB       THR  29  31.942  -3.629   2.076
  192    HG1  THR  29           HG1      THR  29  34.761  -3.627   1.901
  193   1HG2  THR  29          HG22      THR  29  32.512  -2.187  -0.070
  194   2HG2  THR  29          HG21      THR  29  34.033  -3.076   0.004
  195   3HG2  THR  29          HG23      THR  29  32.508  -3.949  -0.151
  196    H    LEU  30           HN       LEU  30  35.396  -1.448   2.029
  197    HA   LEU  30           HA       LEU  30  35.010   0.950   0.298
  198   1HB   LEU  30           HB2      LEU  30  37.490   0.091   1.799
  199   2HB   LEU  30           HB1      LEU  30  37.090   1.701   1.198
  200    HG   LEU  30           HG       LEU  30  35.378   0.287   3.257
  201   1HD1  LEU  30          HD12      LEU  30  37.726   2.140   3.693
  202   2HD1  LEU  30          HD11      LEU  30  36.548   1.715   4.934
  203   3HD1  LEU  30          HD13      LEU  30  37.579   0.468   4.234
  204   1HD2  LEU  30          HD22      LEU  30  35.270   2.782   1.797
  205   2HD2  LEU  30          HD21      LEU  30  34.076   2.088   2.894
  206   3HD2  LEU  30          HD23      LEU  30  35.375   3.097   3.530
  207    H    LYS  31           HN       LYS  31  36.832   1.263  -1.264
  208    HA   LYS  31           HA       LYS  31  38.573  -0.598  -2.366
  209   1HB   LYS  31           HB2      LYS  31  35.768  -1.342  -2.615
  210   2HB   LYS  31           HB1      LYS  31  36.493  -1.132  -4.208
  211   1HG   LYS  31           HG2      LYS  31  38.430  -2.577  -3.352
  212   2HG   LYS  31           HG1      LYS  31  37.379  -2.988  -1.995
  213   1HD   LYS  31           HD2      LYS  31  35.665  -3.814  -3.559
  214   2HD   LYS  31           HD1      LYS  31  36.700  -3.391  -4.923
  215   1HE   LYS  31           HE2      LYS  31  37.969  -5.263  -4.670
  216   2HE   LYS  31           HE1      LYS  31  38.048  -5.068  -2.908
  217   1HZ   LYS  31           HZ3      LYS  31  35.663  -5.742  -2.855
  218   2HZ   LYS  31           HZ2      LYS  31  35.787  -6.152  -4.499
  219   3HZ   LYS  31           HZ1      LYS  31  36.719  -6.977  -3.342
  220    H    ALA  32           HN       ALA  32  38.436  -0.217  -5.044
  221    HA   ALA  32           HA       ALA  32  39.095   2.435  -5.571
  222   1HB   ALA  32           HB1      ALA  32  37.877   0.203  -7.175
  223   2HB   ALA  32           HB3      ALA  32  38.113   1.779  -7.932
  224   3HB   ALA  32           HB2      ALA  32  39.496   0.895  -7.286
  225    H    CYS  33           HN       CYS  33  37.884   4.265  -6.348
  226    HA   CYS  33           HA       CYS  33  34.909   4.083  -6.115
  227   1HB   CYS  33           HB2      CYS  33  36.837   5.940  -4.701
  228   2HB   CYS  33           HB1      CYS  33  35.115   6.292  -4.828
  229    HA   PRO  34           HA       PRO  34  35.598   6.199 -10.007
  230   1HB   PRO  34           HB2      PRO  34  32.927   6.437 -10.615
  231   2HB   PRO  34           HB1      PRO  34  33.865   4.952 -10.882
  232   1HG   PRO  34           HG2      PRO  34  32.069   5.665  -8.600
  233   2HG   PRO  34           HG1      PRO  34  32.184   4.145  -9.507
  234   1HD   PRO  34           HD2      PRO  34  33.336   4.411  -7.106
  235   2HD   PRO  34           HD1      PRO  34  34.121   3.481  -8.405
  236    H    ASN  35           HN       ASN  35  35.836   8.389 -10.303
  237    HA   ASN  35           HA       ASN  35  34.282  10.207  -8.490
  238   1HB   ASN  35           HB2      ASN  35  36.931   9.820  -8.532
  239   2HB   ASN  35           HB1      ASN  35  36.831  11.009  -9.832
  240   1HD2  ASN  35          HD22      ASN  35  35.421  12.237  -6.159
  241   2HD2  ASN  35          HD21      ASN  35  35.104  10.651  -6.674
  242    H    GLN  36           HN       GLN  36  35.522  12.438 -10.178
  243    HA   GLN  36           HA       GLN  36  34.350  12.175 -12.838
  244   1HB   GLN  36           HB2      GLN  36  32.744  12.946 -10.570
  245   2HB   GLN  36           HB1      GLN  36  32.858  14.302 -11.693
  246   1HG   GLN  36           HG2      GLN  36  32.234  11.511 -12.657
  247   2HG   GLN  36           HG1      GLN  36  30.963  12.596 -12.095
  248   1HE2  GLN  36          HE22      GLN  36  31.612  13.030 -15.826
  249   2HE2  GLN  36          HE21      GLN  36  31.366  11.641 -14.882
   
  No H/Q in entry =         249
  Start of MODEL    6
    1   1H    GLU   1           HT2      GLU   1  18.098  10.686   6.121
    2   2H    GLU   1           HT1      GLU   1  17.638  10.219   7.688
    3   3H    GLU   1           HT3      GLU   1  18.650  11.562   7.468
    4    HA   GLU   1           HA       GLU   1  20.508  10.311   7.143
    5   1HB   GLU   1           HB2      GLU   1  18.548   8.544   8.644
    6   2HB   GLU   1           HB1      GLU   1  20.301   8.342   8.679
    7   1HG   GLU   1           HG2      GLU   1  20.302  10.878   9.366
    8   2HG   GLU   1           HG1      GLU   1  18.631  10.556   9.832
    9    H    ILE   2           HN       ILE   2  20.835   7.499   7.045
   10    HA   ILE   2           HA       ILE   2  20.695   6.946   4.253
   11    HB   ILE   2           HB       ILE   2  21.002   5.301   6.753
   12   1HG1  ILE   2          HG12      ILE   2  22.826   6.345   4.587
   13   2HG1  ILE   2          HG11      ILE   2  22.939   6.605   6.328
   14   1HG2  ILE   2          HG23      ILE   2  21.119   4.316   3.899
   15   2HG2  ILE   2          HG22      ILE   2  21.675   3.401   5.297
   16   3HG2  ILE   2          HG21      ILE   2  19.969   3.814   5.140
   17   1HD1  ILE   2          HD13      ILE   2  23.059   3.850   6.121
   18   2HD1  ILE   2          HD12      ILE   2  23.960   4.383   4.702
   19   3HD1  ILE   2          HD11      ILE   2  24.451   4.915   6.311
   20    H    SER   3           HN       SER   3  19.512   5.007   3.382
   21    HA   SER   3           HA       SER   3  17.154   3.972   4.571
   22   1HB   SER   3           HB2      SER   3  15.608   5.332   2.917
   23   2HB   SER   3           HB1      SER   3  16.119   6.075   4.431
   24    HG   SER   3           HG       SER   3  17.728   7.157   3.317
   25    H    CYS   4           HN       CYS   4  16.263   2.327   3.243
   26    HA   CYS   4           HA       CYS   4  16.497   2.122   0.420
   27   1HB   CYS   4           HB2      CYS   4  18.456   0.439   0.459
   28   2HB   CYS   4           HB1      CYS   4  18.862   2.141   0.649
   29    H    GLU   5           HN       GLU   5  16.563  -0.397  -0.199
   30    HA   GLU   5           HA       GLU   5  14.334  -1.642   1.150
   31   1HB   GLU   5           HB2      GLU   5  16.414  -2.687  -0.803
   32   2HB   GLU   5           HB1      GLU   5  14.898  -3.501  -0.413
   33   1HG   GLU   5           HG2      GLU   5  14.124  -2.337  -2.221
   34   2HG   GLU   5           HG1      GLU   5  13.959  -1.036  -1.042
   35    HA   PRO   6           HA       PRO   6  17.013  -3.097   4.458
   36   1HB   PRO   6           HB2      PRO   6  14.960  -4.234   5.892
   37   2HB   PRO   6           HB1      PRO   6  15.373  -2.507   5.962
   38   1HG   PRO   6           HG2      PRO   6  13.251  -3.884   4.373
   39   2HG   PRO   6           HG1      PRO   6  13.166  -2.369   5.294
   40   1HD   PRO   6           HD2      PRO   6  13.437  -2.363   2.626
   41   2HD   PRO   6           HD1      PRO   6  14.247  -1.149   3.643
   42    H    GLY   7           HN       GLY   7  18.149  -4.968   4.299
   43   1HA   GLY   7           HA2      GLY   7  18.221  -7.413   4.424
   44   2HA   GLY   7           HA1      GLY   7  16.690  -7.458   3.550
   45    H    LYS   8           HN       LYS   8  18.050  -5.149   1.872
   46    HA   LYS   8           HA       LYS   8  19.318  -7.062  -0.040
   47   1HB   LYS   8           HB2      LYS   8  18.384  -4.247  -0.592
   48   2HB   LYS   8           HB1      LYS   8  18.582  -5.576  -1.733
   49   1HG   LYS   8           HG2      LYS   8  16.779  -6.795  -0.343
   50   2HG   LYS   8           HG1      LYS   8  16.437  -5.215   0.361
   51   1HD   LYS   8           HD2      LYS   8  15.002  -5.072  -1.421
   52   2HD   LYS   8           HD1      LYS   8  16.463  -4.533  -2.249
   53   1HE   LYS   8           HE2      LYS   8  16.894  -6.972  -2.849
   54   2HE   LYS   8           HE1      LYS   8  15.253  -7.314  -2.264
   55   1HZ   LYS   8           HZ2      LYS   8  14.796  -5.155  -3.731
   56   2HZ   LYS   8           HZ1      LYS   8  16.107  -5.796  -4.600
   57   3HZ   LYS   8           HZ3      LYS   8  14.709  -6.728  -4.367
   58    H    THR   9           HN       THR   9  21.037  -5.982  -1.446
   59    HA   THR   9           HA       THR   9  22.840  -4.307   0.265
   60    HB   THR   9           HB       THR   9  23.704  -6.246  -1.876
   61    HG1  THR   9           HG1      THR   9  23.835  -7.801  -0.232
   62   1HG2  THR   9          HG22      THR   9  25.327  -4.612  -0.903
   63   2HG2  THR   9          HG21      THR   9  25.039  -5.331   0.682
   64   3HG2  THR   9          HG23      THR   9  25.769  -6.292  -0.604
   65    H    PHE  10           HN       PHE  10  24.285  -2.869  -0.973
   66    HA   PHE  10           HA       PHE  10  23.738  -2.431  -3.821
   67   1HB   PHE  10           HB2      PHE  10  22.958  -0.048  -3.334
   68   2HB   PHE  10           HB1      PHE  10  21.812  -1.327  -2.963
   69    HD1  PHE  10           HD1      PHE  10  24.528  -1.303  -0.596
   70    HD2  PHE  10           HD2      PHE  10  20.818   0.629  -1.571
   71    HE1  PHE  10           HE1      PHE  10  24.305  -0.533   1.725
   72    HE2  PHE  10           HE2      PHE  10  20.645   1.436   0.760
   73    HZ   PHE  10           HZ       PHE  10  22.416   0.865   2.389
   74    H    LYS  11           HN       LYS  11  24.662   0.161  -4.017
   75    HA   LYS  11           HA       LYS  11  27.506  -0.150  -3.124
   76   1HB   LYS  11           HB2      LYS  11  26.602   0.061  -5.591
   77   2HB   LYS  11           HB1      LYS  11  26.483   1.776  -5.203
   78   1HG   LYS  11           HG2      LYS  11  28.910   1.603  -4.392
   79   2HG   LYS  11           HG1      LYS  11  28.956   0.040  -5.209
   80   1HD   LYS  11           HD2      LYS  11  28.379   2.737  -6.465
   81   2HD   LYS  11           HD1      LYS  11  29.783   1.709  -6.754
   82   1HE   LYS  11           HE2      LYS  11  28.612   0.816  -8.486
   83   2HE   LYS  11           HE1      LYS  11  27.575   0.048  -7.268
   84   1HZ   LYS  11           HZ1      LYS  11  27.211   2.863  -8.115
   85   2HZ   LYS  11           HZ3      LYS  11  26.421   1.581  -8.895
   86   3HZ   LYS  11           HZ2      LYS  11  26.129   1.881  -7.248
   87    H    ASP  12           HN       ASP  12  24.813   2.169  -3.368
   88    HA   ASP  12           HA       ASP  12  24.435   4.217  -2.249
   89   1HB   ASP  12           HB2      ASP  12  24.544   2.574  -0.382
   90   2HB   ASP  12           HB1      ASP  12  26.285   2.838  -0.272
   91    H    LYS  13           HN       LYS  13  27.452   4.242  -0.560
   92    HA   LYS  13           HA       LYS  13  28.357   6.648  -1.748
   93   1HB   LYS  13           HB2      LYS  13  29.891   4.431  -0.352
   94   2HB   LYS  13           HB1      LYS  13  30.445   6.095  -0.539
   95   1HG   LYS  13           HG2      LYS  13  28.483   6.886   0.746
   96   2HG   LYS  13           HG1      LYS  13  27.956   5.215   0.956
   97   1HD   LYS  13           HD2      LYS  13  29.360   4.932   2.690
   98   2HD   LYS  13           HD1      LYS  13  30.729   5.477   1.722
   99   1HE   LYS  13           HE2      LYS  13  30.760   7.445   2.835
  100   2HE   LYS  13           HE1      LYS  13  29.068   7.745   2.390
  101   1HZ   LYS  13           HZ3      LYS  13  29.839   5.838   4.523
  102   2HZ   LYS  13           HZ2      LYS  13  29.528   7.477   4.846
  103   3HZ   LYS  13           HZ1      LYS  13  28.303   6.488   4.208
  104    H    CYS  14           HN       CYS  14  31.150   5.805  -2.312
  105    HA   CYS  14           HA       CYS  14  30.678   4.803  -5.073
  106   1HB   CYS  14           HB2      CYS  14  32.980   5.639  -5.432
  107   2HB   CYS  14           HB1      CYS  14  31.951   6.884  -4.731
  108    H    ASN  15           HN       ASN  15  31.181   3.387  -2.170
  109    HA   ASN  15           HA       ASN  15  33.099   1.352  -3.202
  110   1HB   ASN  15           HB2      ASN  15  32.323   2.512  -0.550
  111   2HB   ASN  15           HB1      ASN  15  32.946   0.865  -0.574
  112   1HD2  ASN  15          HD22      ASN  15  35.453   3.678  -2.137
  113   2HD2  ASN  15          HD21      ASN  15  33.826   3.675  -2.585
  114    H    THR  16           HN       THR  16  31.504  -0.084  -0.690
  115    HA   THR  16           HA       THR  16  29.096  -0.788  -2.301
  116    HB   THR  16           HB       THR  16  30.028  -3.222  -1.347
  117    HG1  THR  16           HG1      THR  16  32.158  -2.533  -2.832
  118   1HG2  THR  16          HG21      THR  16  29.571  -1.838  -3.889
  119   2HG2  THR  16          HG23      THR  16  30.760  -3.135  -4.007
  120   3HG2  THR  16          HG22      THR  16  29.136  -3.478  -3.410
  121    H    CYS  17           HN       CYS  17  27.393  -0.647  -0.933
  122    HA   CYS  17           HA       CYS  17  27.848  -1.225   1.946
  123   1HB   CYS  17           HB2      CYS  17  25.695   0.365   0.575
  124   2HB   CYS  17           HB1      CYS  17  25.856   0.146   2.317
  125    H    ARG  18           HN       ARG  18  25.663  -1.858   3.029
  126    HA   ARG  18           HA       ARG  18  24.170  -3.864   1.422
  127   1HB   ARG  18           HB2      ARG  18  26.081  -4.992   2.521
  128   2HB   ARG  18           HB1      ARG  18  25.575  -4.332   4.077
  129   1HG   ARG  18           HG2      ARG  18  23.313  -5.489   3.621
  130   2HG   ARG  18           HG1      ARG  18  24.175  -6.393   2.374
  131   1HD   ARG  18           HD2      ARG  18  25.155  -6.237   5.242
  132   2HD   ARG  18           HD1      ARG  18  24.103  -7.538   4.648
  133    HE   ARG  18           HE       ARG  18  25.902  -8.340   3.308
  134   1HH1  ARG  18          HH11      ARG  18  27.331  -6.873   1.724
  135   2HH1  ARG  18          HH12      ARG  18  28.657  -6.161   2.581
  136   1HH2  ARG  18          HH21      ARG  18  27.281  -6.725   5.713
  137   2HH2  ARG  18          HH22      ARG  18  28.628  -6.075   4.839
  138    H    CYS  19           HN       CYS  19  22.212  -2.664   1.621
  139    HA   CYS  19           HA       CYS  19  21.350  -1.140   3.806
  140   1HB   CYS  19           HB2      CYS  19  20.355  -1.446   1.495
  141   2HB   CYS  19           HB1      CYS  19  19.607  -2.934   2.093
  142    H    GLY  20           HN       GLY  20  20.857  -1.647   5.882
  143   1HA   GLY  20           HA2      GLY  20  20.920  -4.438   6.745
  144   2HA   GLY  20           HA1      GLY  20  20.715  -3.037   7.791
  145    H    ALA  21           HN       ALA  21  19.180  -5.121   8.419
  146    HA   ALA  21           HA       ALA  21  16.720  -5.620   7.193
  147   1HB   ALA  21           HB2      ALA  21  17.588  -5.332  10.076
  148   2HB   ALA  21           HB1      ALA  21  15.969  -5.883   9.647
  149   3HB   ALA  21           HB3      ALA  21  17.378  -6.817   9.146
  150    H    ASP  22           HN       ASP  22  17.812  -2.694   8.726
  151    HA   ASP  22           HA       ASP  22  15.065  -1.574   8.867
  152   1HB   ASP  22           HB2      ASP  22  17.494  -1.300  10.287
  153   2HB   ASP  22           HB1      ASP  22  17.243   0.242   9.468
  154    H    GLY  23           HN       GLY  23  14.392   0.110   7.485
  155   1HA   GLY  23           HA2      GLY  23  15.919   0.399   4.991
  156   2HA   GLY  23           HA1      GLY  23  14.321   1.075   5.312
  157    H    LYS  24           HN       LYS  24  17.412   1.454   7.075
  158    HA   LYS  24           HA       LYS  24  17.604   4.277   6.264
  159   1HB   LYS  24           HB2      LYS  24  16.567   3.298   8.893
  160   2HB   LYS  24           HB1      LYS  24  17.574   4.747   8.887
  161   1HG   LYS  24           HG2      LYS  24  15.657   5.858   8.407
  162   2HG   LYS  24           HG1      LYS  24  15.860   5.213   6.778
  163   1HD   LYS  24           HD2      LYS  24  14.657   3.094   7.811
  164   2HD   LYS  24           HD1      LYS  24  14.053   4.274   8.975
  165   1HE   LYS  24           HE2      LYS  24  13.485   5.685   6.814
  166   2HE   LYS  24           HE1      LYS  24  13.528   4.097   6.022
  167   1HZ   LYS  24           HZ3      LYS  24  12.166   4.285   8.601
  168   2HZ   LYS  24           HZ2      LYS  24  11.373   4.965   7.260
  169   3HZ   LYS  24           HZ1      LYS  24  11.801   3.320   7.253
  170    H    SER  25           HN       SER  25  19.239   1.623   6.483
  171    HA   SER  25           HA       SER  25  21.696   3.013   7.100
  172   1HB   SER  25           HB2      SER  25  22.084   1.136   8.984
  173   2HB   SER  25           HB1      SER  25  21.325   2.680   9.362
  174    HG   SER  25           HG       SER  25  19.419   1.722   9.501
  175    H    ALA  26           HN       ALA  26  23.559   1.218   7.156
  176    HA   ALA  26           HA       ALA  26  23.045  -1.335   5.925
  177   1HB   ALA  26           HB2      ALA  26  22.380   0.341   4.142
  178   2HB   ALA  26           HB1      ALA  26  24.069   0.839   4.081
  179   3HB   ALA  26           HB3      ALA  26  23.619  -0.805   3.642
  180    H    ALA  27           HN       ALA  27  24.907  -2.551   6.295
  181    HA   ALA  27           HA       ALA  27  27.322  -1.194   7.273
  182   1HB   ALA  27           HB3      ALA  27  26.190  -3.698   7.537
  183   2HB   ALA  27           HB2      ALA  27  27.526  -4.003   6.425
  184   3HB   ALA  27           HB1      ALA  27  27.840  -3.286   8.005
  185    H    CYS  28           HN       CYS  28  29.171  -0.779   6.007
  186    HA   CYS  28           HA       CYS  28  28.882  -1.545   3.147
  187   1HB   CYS  28           HB2      CYS  28  28.637   0.899   4.106
  188   2HB   CYS  28           HB1      CYS  28  30.390   0.866   4.031
  189    H    THR  29           HN       THR  29  31.124  -0.933   2.047
  190    HA   THR  29           HA       THR  29  33.381  -2.080   3.590
  191    HB   THR  29           HB       THR  29  31.788  -3.621   1.936
  192    HG1  THR  29           HG1      THR  29  34.541  -4.118   2.039
  193   1HG2  THR  29          HG21      THR  29  32.829  -2.116   0.047
  194   2HG2  THR  29          HG23      THR  29  34.243  -3.145   0.274
  195   3HG2  THR  29          HG22      THR  29  32.700  -3.858  -0.197
  196    H    LEU  30           HN       LEU  30  35.398  -1.642   2.505
  197    HA   LEU  30           HA       LEU  30  35.313   0.997   1.226
  198   1HB   LEU  30           HB2      LEU  30  37.428  -0.746   2.491
  199   2HB   LEU  30           HB1      LEU  30  37.771   0.848   1.816
  200    HG   LEU  30           HG       LEU  30  37.347   1.125   4.185
  201   1HD1  LEU  30          HD13      LEU  30  36.204   2.630   2.350
  202   2HD1  LEU  30          HD12      LEU  30  34.719   1.921   2.985
  203   3HD1  LEU  30          HD11      LEU  30  35.782   2.841   4.049
  204   1HD2  LEU  30          HD21      LEU  30  35.913  -1.076   4.212
  205   2HD2  LEU  30          HD23      LEU  30  35.539   0.212   5.357
  206   3HD2  LEU  30          HD22      LEU  30  34.567   0.019   3.898
  207    H    LYS  31           HN       LYS  31  34.522  -0.057  -0.881
  208    HA   LYS  31           HA       LYS  31  36.603  -1.497  -2.424
  209   1HB   LYS  31           HB2      LYS  31  33.790  -1.407  -2.321
  210   2HB   LYS  31           HB1      LYS  31  34.217  -0.656  -3.858
  211   1HG   LYS  31           HG2      LYS  31  35.920  -2.802  -3.814
  212   2HG   LYS  31           HG1      LYS  31  34.503  -3.462  -2.997
  213   1HD   LYS  31           HD2      LYS  31  33.072  -2.778  -4.864
  214   2HD   LYS  31           HD1      LYS  31  34.453  -2.038  -5.674
  215   1HE   LYS  31           HE2      LYS  31  33.895  -4.352  -6.530
  216   2HE   LYS  31           HE1      LYS  31  35.545  -4.219  -5.891
  217   1HZ   LYS  31           HZ2      LYS  31  33.223  -5.021  -4.229
  218   2HZ   LYS  31           HZ1      LYS  31  34.229  -6.146  -5.009
  219   3HZ   LYS  31           HZ3      LYS  31  34.870  -5.116  -3.824
  220    H    ALA  32           HN       ALA  32  36.489  -0.510  -4.908
  221    HA   ALA  32           HA       ALA  32  37.774   2.109  -4.697
  222   1HB   ALA  32           HB2      ALA  32  37.137   0.114  -6.863
  223   2HB   ALA  32           HB1      ALA  32  37.797   1.697  -7.272
  224   3HB   ALA  32           HB3      ALA  32  38.714   0.599  -6.242
  225    H    CYS  33           HN       CYS  33  37.092   3.956  -6.074
  226    HA   CYS  33           HA       CYS  33  34.103   4.169  -6.252
  227   1HB   CYS  33           HB2      CYS  33  36.244   6.303  -5.941
  228   2HB   CYS  33           HB1      CYS  33  34.505   6.562  -5.841
  229    HA   PRO  34           HA       PRO  34  34.633   4.465 -10.633
  230   1HB   PRO  34           HB2      PRO  34  32.300   5.803 -11.208
  231   2HB   PRO  34           HB1      PRO  34  32.370   4.066 -10.843
  232   1HG   PRO  34           HG2      PRO  34  31.699   6.350  -9.034
  233   2HG   PRO  34           HG1      PRO  34  30.894   4.779  -9.207
  234   1HD   PRO  34           HD2      PRO  34  32.580   5.251  -7.185
  235   2HD   PRO  34           HD1      PRO  34  32.524   3.660  -7.981
  236    H    ASN  35           HN       ASN  35  35.092   6.120 -12.243
  237    HA   ASN  35           HA       ASN  35  36.520   8.379 -11.381
  238   1HB   ASN  35           HB2      ASN  35  35.308   7.332 -13.862
  239   2HB   ASN  35           HB1      ASN  35  35.584   9.074 -13.870
  240   1HD2  ASN  35          HD22      ASN  35  38.754   7.576 -15.044
  241   2HD2  ASN  35          HD21      ASN  35  37.170   7.745 -15.630
  242    H    GLN  36           HN       GLN  36  35.700  10.700 -12.362
  243    HA   GLN  36           HA       GLN  36  32.882  11.187 -11.507
  244   1HB   GLN  36           HB2      GLN  36  35.241  11.700  -9.990
  245   2HB   GLN  36           HB1      GLN  36  34.601  13.259 -10.507
  246   1HG   GLN  36           HG2      GLN  36  32.520  11.402  -9.595
  247   2HG   GLN  36           HG1      GLN  36  33.689  11.811  -8.339
  248   1HE2  GLN  36          HE22      GLN  36  32.558  15.146  -8.007
  249   2HE2  GLN  36          HE21      GLN  36  33.683  13.974  -7.515
   
  No H/Q in entry =         249
  Start of MODEL    7
    1   1H    GLU   1           HT1      GLU   1  20.620  11.534   5.546
    2   2H    GLU   1           HT3      GLU   1  20.588  12.069   7.156
    3   3H    GLU   1           HT2      GLU   1  21.875  11.107   6.607
    4    HA   GLU   1           HA       GLU   1  20.532   9.623   7.812
    5   1HB   GLU   1           HB2      GLU   1  18.500  11.460   6.679
    6   2HB   GLU   1           HB1      GLU   1  17.976   9.787   6.876
    7   1HG   GLU   1           HG2      GLU   1  19.257  10.199   9.248
    8   2HG   GLU   1           HG1      GLU   1  18.623  11.815   8.930
    9    H    ILE   2           HN       ILE   2  19.651   7.545   6.996
   10    HA   ILE   2           HA       ILE   2  20.096   7.200   4.043
   11    HB   ILE   2           HB       ILE   2  20.789   5.553   6.463
   12   1HG1  ILE   2          HG12      ILE   2  22.254   6.857   4.189
   13   2HG1  ILE   2          HG11      ILE   2  22.621   6.901   5.912
   14   1HG2  ILE   2          HG21      ILE   2  20.667   4.585   3.602
   15   2HG2  ILE   2          HG23      ILE   2  21.419   3.705   4.928
   16   3HG2  ILE   2          HG22      ILE   2  19.684   4.007   4.949
   17   1HD1  ILE   2          HD11      ILE   2  23.178   4.421   5.738
   18   2HD1  ILE   2          HD13      ILE   2  23.072   4.605   3.987
   19   3HD1  ILE   2          HD12      ILE   2  24.289   5.501   4.895
   20    H    SER   3           HN       SER   3  18.991   5.177   3.258
   21    HA   SER   3           HA       SER   3  16.832   3.964   4.646
   22   1HB   SER   3           HB2      SER   3  15.275   5.354   2.779
   23   2HB   SER   3           HB1      SER   3  15.328   5.662   4.512
   24    HG   SER   3           HG       SER   3  16.267   7.153   2.463
   25    H    CYS   4           HN       CYS   4  16.289   2.125   3.512
   26    HA   CYS   4           HA       CYS   4  16.326   1.983   0.603
   27   1HB   CYS   4           HB2      CYS   4  18.301   0.357   0.630
   28   2HB   CYS   4           HB1      CYS   4  18.702   2.047   0.924
   29    H    GLU   5           HN       GLU   5  16.488  -0.586   0.071
   30    HA   GLU   5           HA       GLU   5  14.233  -1.808   1.427
   31   1HB   GLU   5           HB2      GLU   5  15.585  -2.040  -0.987
   32   2HB   GLU   5           HB1      GLU   5  16.005  -3.538  -0.156
   33   1HG   GLU   5           HG2      GLU   5  13.989  -4.345  -0.756
   34   2HG   GLU   5           HG1      GLU   5  13.262  -3.168   0.338
   35    HA   PRO   6           HA       PRO   6  16.939  -3.134   4.766
   36   1HB   PRO   6           HB2      PRO   6  14.911  -4.293   6.223
   37   2HB   PRO   6           HB1      PRO   6  15.284  -2.557   6.259
   38   1HG   PRO   6           HG2      PRO   6  13.201  -4.014   4.688
   39   2HG   PRO   6           HG1      PRO   6  13.074  -2.488   5.585
   40   1HD   PRO   6           HD2      PRO   6  13.350  -2.505   2.922
   41   2HD   PRO   6           HD1      PRO   6  14.146  -1.266   3.924
   42    H    GLY   7           HN       GLY   7  18.104  -4.984   4.745
   43   1HA   GLY   7           HA2      GLY   7  18.356  -7.384   4.824
   44   2HA   GLY   7           HA1      GLY   7  16.758  -7.549   4.095
   45    H    LYS   8           HN       LYS   8  17.944  -5.177   2.295
   46    HA   LYS   8           HA       LYS   8  19.038  -7.079   0.269
   47   1HB   LYS   8           HB2      LYS   8  17.926  -4.277  -0.036
   48   2HB   LYS   8           HB1      LYS   8  18.280  -5.416  -1.337
   49   1HG   LYS   8           HG2      LYS   8  16.645  -6.910   0.296
   50   2HG   LYS   8           HG1      LYS   8  15.952  -5.297   0.462
   51   1HD   LYS   8           HD2      LYS   8  15.330  -5.185  -1.751
   52   2HD   LYS   8           HD1      LYS   8  16.681  -6.182  -2.290
   53   1HE   LYS   8           HE2      LYS   8  15.075  -7.805  -2.510
   54   2HE   LYS   8           HE1      LYS   8  15.259  -7.969  -0.751
   55   1HZ   LYS   8           HZ3      LYS   8  13.528  -5.862  -1.868
   56   2HZ   LYS   8           HZ2      LYS   8  12.933  -7.446  -1.715
   57   3HZ   LYS   8           HZ1      LYS   8  13.464  -6.599  -0.341
   58    H    THR   9           HN       THR   9  20.602  -5.918  -1.292
   59    HA   THR   9           HA       THR   9  22.519  -4.205   0.248
   60    HB   THR   9           HB       THR   9  23.167  -6.431  -1.692
   61    HG1  THR   9           HG1      THR   9  22.212  -7.325   0.112
   62   1HG2  THR   9          HG22      THR   9  24.838  -4.555  -1.244
   63   2HG2  THR   9          HG21      THR   9  24.954  -5.197   0.394
   64   3HG2  THR   9          HG23      THR   9  25.411  -6.200  -0.980
   65    H    PHE  10           HN       PHE  10  23.939  -2.912  -1.171
   66    HA   PHE  10           HA       PHE  10  23.320  -2.753  -4.023
   67   1HB   PHE  10           HB2      PHE  10  22.534  -0.325  -3.735
   68   2HB   PHE  10           HB1      PHE  10  21.397  -1.586  -3.270
   69    HD1  PHE  10           HD1      PHE  10  24.305   0.169  -1.633
   70    HD2  PHE  10           HD2      PHE  10  20.226  -1.133  -1.317
   71    HE1  PHE  10           HE1      PHE  10  24.137   1.162   0.625
   72    HE2  PHE  10           HE2      PHE  10  20.093  -0.133   0.938
   73    HZ   PHE  10           HZ       PHE  10  22.092   1.005   1.900
   74    H    LYS  11           HN       LYS  11  24.238  -0.163  -4.466
   75    HA   LYS  11           HA       LYS  11  27.112  -0.511  -3.801
   76   1HB   LYS  11           HB2      LYS  11  26.168  -0.125  -6.127
   77   2HB   LYS  11           HB1      LYS  11  25.744   1.507  -5.607
   78   1HG   LYS  11           HG2      LYS  11  28.178   1.807  -4.942
   79   2HG   LYS  11           HG1      LYS  11  28.509   0.287  -5.772
   80   1HD   LYS  11           HD2      LYS  11  26.913   1.908  -7.504
   81   2HD   LYS  11           HD1      LYS  11  28.253   2.892  -6.913
   82   1HE   LYS  11           HE2      LYS  11  29.118   1.795  -8.851
   83   2HE   LYS  11           HE1      LYS  11  29.745   0.841  -7.492
   84   1HZ   LYS  11           HZ1      LYS  11  27.683  -0.529  -7.678
   85   2HZ   LYS  11           HZ3      LYS  11  27.337   0.273  -9.132
   86   3HZ   LYS  11           HZ2      LYS  11  28.739  -0.676  -9.000
   87    H    ASP  12           HN       ASP  12  25.065   2.417  -4.104
   88    HA   ASP  12           HA       ASP  12  25.044   4.389  -2.796
   89   1HB   ASP  12           HB2      ASP  12  24.365   2.307  -1.266
   90   2HB   ASP  12           HB1      ASP  12  25.877   2.714  -0.458
   91    H    LYS  13           HN       LYS  13  26.527   5.754  -1.323
   92    HA   LYS  13           HA       LYS  13  28.667   6.789  -1.193
   93   1HB   LYS  13           HB2      LYS  13  29.471   3.935  -0.575
   94   2HB   LYS  13           HB1      LYS  13  30.132   5.416   0.117
   95   1HG   LYS  13           HG2      LYS  13  27.515   5.718   0.767
   96   2HG   LYS  13           HG1      LYS  13  27.642   3.959   0.801
   97   1HD   LYS  13           HD2      LYS  13  28.163   4.908   3.014
   98   2HD   LYS  13           HD1      LYS  13  29.587   4.132   2.318
   99   1HE   LYS  13           HE2      LYS  13  29.530   6.864   1.432
  100   2HE   LYS  13           HE1      LYS  13  29.354   6.831   3.198
  101   1HZ   LYS  13           HZ3      LYS  13  31.281   5.034   1.887
  102   2HZ   LYS  13           HZ2      LYS  13  31.710   6.655   2.157
  103   3HZ   LYS  13           HZ1      LYS  13  31.299   5.654   3.466
  104    H    CYS  14           HN       CYS  14  31.149   5.062  -1.637
  105    HA   CYS  14           HA       CYS  14  31.050   5.066  -4.634
  106   1HB   CYS  14           HB2      CYS  14  33.383   5.786  -4.525
  107   2HB   CYS  14           HB1      CYS  14  32.393   6.868  -3.548
  108    H    ASN  15           HN       ASN  15  31.033   2.960  -2.117
  109    HA   ASN  15           HA       ASN  15  32.794   1.026  -3.570
  110   1HB   ASN  15           HB2      ASN  15  32.457   1.724  -0.669
  111   2HB   ASN  15           HB1      ASN  15  32.968   0.088  -1.106
  112   1HD2  ASN  15          HD22      ASN  15  35.745   2.909  -1.103
  113   2HD2  ASN  15          HD21      ASN  15  34.301   2.953  -0.209
  114    H    THR  16           HN       THR  16  31.280  -0.446  -0.935
  115    HA   THR  16           HA       THR  16  28.825  -1.066  -2.533
  116    HB   THR  16           HB       THR  16  29.737  -3.497  -1.466
  117    HG1  THR  16           HG1      THR  16  31.798  -3.260  -2.936
  118   1HG2  THR  16          HG21      THR  16  29.532  -2.256  -4.193
  119   2HG2  THR  16          HG23      THR  16  30.186  -3.883  -4.011
  120   3HG2  THR  16          HG22      THR  16  28.542  -3.528  -3.478
  121    H    CYS  17           HN       CYS  17  27.092  -0.953  -1.192
  122    HA   CYS  17           HA       CYS  17  27.564  -1.340   1.713
  123   1HB   CYS  17           HB2      CYS  17  25.451   0.144   0.203
  124   2HB   CYS  17           HB1      CYS  17  25.464  -0.038   1.951
  125    H    ARG  18           HN       ARG  18  25.427  -1.964   2.859
  126    HA   ARG  18           HA       ARG  18  23.912  -4.043   1.382
  127   1HB   ARG  18           HB2      ARG  18  25.889  -5.096   2.455
  128   2HB   ARG  18           HB1      ARG  18  25.392  -4.422   4.008
  129   1HG   ARG  18           HG2      ARG  18  23.492  -5.804   4.140
  130   2HG   ARG  18           HG1      ARG  18  23.504  -6.142   2.409
  131   1HD   ARG  18           HD2      ARG  18  24.398  -8.132   3.280
  132   2HD   ARG  18           HD1      ARG  18  25.877  -7.205   2.957
  133    HE   ARG  18           HE       ARG  18  25.125  -6.399   5.504
  134   1HH1  ARG  18          HH21      ARG  18  26.355  -9.141   3.874
  135   2HH1  ARG  18          HH22      ARG  18  26.651 -10.049   5.318
  136   1HH2  ARG  18          HH11      ARG  18  25.240  -7.676   7.416
  137   2HH2  ARG  18          HH12      ARG  18  26.019  -9.220   7.323
  138    H    CYS  19           HN       CYS  19  22.015  -2.675   1.597
  139    HA   CYS  19           HA       CYS  19  21.148  -1.146   3.720
  140   1HB   CYS  19           HB2      CYS  19  20.054  -1.710   1.522
  141   2HB   CYS  19           HB1      CYS  19  19.429  -3.173   2.281
  142    H    GLY  20           HN       GLY  20  20.937  -1.523   5.870
  143   1HA   GLY  20           HA2      GLY  20  21.159  -4.180   6.988
  144   2HA   GLY  20           HA1      GLY  20  20.825  -2.709   7.897
  145    H    ALA  21           HN       ALA  21  19.495  -4.868   8.740
  146    HA   ALA  21           HA       ALA  21  17.072  -5.667   7.571
  147   1HB   ALA  21           HB2      ALA  21  18.139  -6.528   9.657
  148   2HB   ALA  21           HB1      ALA  21  17.659  -5.046  10.485
  149   3HB   ALA  21           HB3      ALA  21  16.429  -6.161   9.891
  150    H    ASP  22           HN       ASP  22  17.939  -2.585   8.913
  151    HA   ASP  22           HA       ASP  22  15.098  -1.698   9.032
  152   1HB   ASP  22           HB2      ASP  22  17.772  -0.707   9.999
  153   2HB   ASP  22           HB1      ASP  22  16.411   0.410   9.900
  154    H    GLY  23           HN       GLY  23  14.362   0.034   7.693
  155   1HA   GLY  23           HA2      GLY  23  15.829   0.322   5.161
  156   2HA   GLY  23           HA1      GLY  23  14.222   0.965   5.507
  157    H    LYS  24           HN       LYS  24  17.421   1.423   7.058
  158    HA   LYS  24           HA       LYS  24  17.424   4.278   6.316
  159   1HB   LYS  24           HB2      LYS  24  16.851   3.183   9.062
  160   2HB   LYS  24           HB1      LYS  24  17.633   4.754   8.884
  161   1HG   LYS  24           HG2      LYS  24  15.588   4.971   7.078
  162   2HG   LYS  24           HG1      LYS  24  14.843   3.972   8.327
  163   1HD   LYS  24           HD2      LYS  24  15.287   5.602  10.024
  164   2HD   LYS  24           HD1      LYS  24  16.346   6.522   8.954
  165   1HE   LYS  24           HE2      LYS  24  14.534   7.323   7.654
  166   2HE   LYS  24           HE1      LYS  24  13.432   6.075   8.271
  167   1HZ   LYS  24           HZ2      LYS  24  14.206   7.161  10.549
  168   2HZ   LYS  24           HZ1      LYS  24  14.359   8.529   9.552
  169   3HZ   LYS  24           HZ3      LYS  24  12.863   7.739   9.682
  170    H    SER  25           HN       SER  25  19.134   1.623   6.358
  171    HA   SER  25           HA       SER  25  21.622   3.065   6.629
  172   1HB   SER  25           HB2      SER  25  22.343   1.377   8.513
  173   2HB   SER  25           HB1      SER  25  21.390   2.794   8.949
  174    HG   SER  25           HG       SER  25  19.533   1.485   8.844
  175    H    ALA  26           HN       ALA  26  23.471   1.168   6.687
  176    HA   ALA  26           HA       ALA  26  22.828  -1.355   5.467
  177   1HB   ALA  26           HB2      ALA  26  22.172   0.401   3.719
  178   2HB   ALA  26           HB1      ALA  26  23.891   0.755   3.572
  179   3HB   ALA  26           HB3      ALA  26  23.283  -0.848   3.165
  180    H    ALA  27           HN       ALA  27  24.607  -2.519   6.238
  181    HA   ALA  27           HA       ALA  27  27.092  -1.275   6.999
  182   1HB   ALA  27           HB2      ALA  27  26.092  -4.049   6.505
  183   2HB   ALA  27           HB1      ALA  27  27.833  -3.802   6.646
  184   3HB   ALA  27           HB3      ALA  27  26.768  -3.351   7.977
  185    H    CYS  28           HN       CYS  28  28.879  -0.805   5.713
  186    HA   CYS  28           HA       CYS  28  28.623  -1.640   2.871
  187   1HB   CYS  28           HB2      CYS  28  28.313   0.807   3.799
  188   2HB   CYS  28           HB1      CYS  28  30.063   0.824   3.713
  189    H    THR  29           HN       THR  29  30.885  -0.963   1.773
  190    HA   THR  29           HA       THR  29  33.143  -2.033   3.372
  191    HB   THR  29           HB       THR  29  31.614  -3.671   1.782
  192    HG1  THR  29           HG1      THR  29  34.370  -4.098   1.799
  193   1HG2  THR  29          HG23      THR  29  32.591  -2.161  -0.159
  194   2HG2  THR  29          HG22      THR  29  34.009  -3.188   0.049
  195   3HG2  THR  29          HG21      THR  29  32.454  -3.907  -0.368
  196    H    LEU  30           HN       LEU  30  35.180  -1.614   2.266
  197    HA   LEU  30           HA       LEU  30  35.039   0.931   0.743
  198   1HB   LEU  30           HB2      LEU  30  37.175  -0.458   2.384
  199   2HB   LEU  30           HB1      LEU  30  37.397   1.103   1.591
  200    HG   LEU  30           HG       LEU  30  36.755   1.572   3.857
  201   1HD1  LEU  30          HD11      LEU  30  35.545   2.744   1.878
  202   2HD1  LEU  30          HD13      LEU  30  34.142   1.804   2.384
  203   3HD1  LEU  30          HD12      LEU  30  34.885   2.950   3.500
  204   1HD2  LEU  30          HD23      LEU  30  35.629  -0.848   3.958
  205   2HD2  LEU  30          HD22      LEU  30  35.161   0.435   5.075
  206   3HD2  LEU  30          HD21      LEU  30  34.171   0.096   3.655
  207    H    LYS  31           HN       LYS  31  36.607   1.285  -0.936
  208    HA   LYS  31           HA       LYS  31  38.311  -0.552  -2.203
  209   1HB   LYS  31           HB2      LYS  31  35.604  -1.353  -2.324
  210   2HB   LYS  31           HB1      LYS  31  35.958  -0.686  -3.916
  211   1HG   LYS  31           HG2      LYS  31  37.972  -2.525  -2.696
  212   2HG   LYS  31           HG1      LYS  31  36.492  -3.231  -3.347
  213   1HD   LYS  31           HD2      LYS  31  37.315  -1.353  -5.269
  214   2HD   LYS  31           HD1      LYS  31  38.790  -2.183  -4.771
  215   1HE   LYS  31           HE2      LYS  31  37.219  -4.339  -5.002
  216   2HE   LYS  31           HE1      LYS  31  36.382  -3.283  -6.156
  217   1HZ   LYS  31           HZ3      LYS  31  39.329  -3.534  -6.136
  218   2HZ   LYS  31           HZ2      LYS  31  38.358  -4.605  -7.031
  219   3HZ   LYS  31           HZ1      LYS  31  38.330  -2.940  -7.372
  220    H    ALA  32           HN       ALA  32  38.377   0.097  -4.743
  221    HA   ALA  32           HA       ALA  32  39.005   2.790  -5.028
  222   1HB   ALA  32           HB2      ALA  32  39.318   0.869  -6.653
  223   2HB   ALA  32           HB1      ALA  32  37.633   1.085  -7.128
  224   3HB   ALA  32           HB3      ALA  32  38.801   2.378  -7.404
  225    H    CYS  33           HN       CYS  33  37.809   4.646  -5.787
  226    HA   CYS  33           HA       CYS  33  34.827   4.389  -5.594
  227   1HB   CYS  33           HB2      CYS  33  36.730   6.431  -4.415
  228   2HB   CYS  33           HB1      CYS  33  34.984   6.673  -4.475
  229    HA   PRO  34           HA       PRO  34  35.390   6.160  -9.677
  230   1HB   PRO  34           HB2      PRO  34  32.702   6.237 -10.257
  231   2HB   PRO  34           HB1      PRO  34  33.696   4.773 -10.405
  232   1HG   PRO  34           HG2      PRO  34  31.905   5.617  -8.165
  233   2HG   PRO  34           HG1      PRO  34  32.070   4.028  -8.934
  234   1HD   PRO  34           HD2      PRO  34  33.243   4.554  -6.588
  235   2HD   PRO  34           HD1      PRO  34  34.049   3.543  -7.814
  236    H    ASN  35           HN       ASN  35  35.205   8.287 -10.454
  237    HA   ASN  35           HA       ASN  35  33.395  10.218  -9.174
  238   1HB   ASN  35           HB2      ASN  35  35.423  11.609  -8.452
  239   2HB   ASN  35           HB1      ASN  35  35.119  10.151  -7.507
  240   1HD2  ASN  35          HD22      ASN  35  38.663  10.526  -9.273
  241   2HD2  ASN  35          HD21      ASN  35  37.600  11.815  -8.976
  242    H    GLN  36           HN       GLN  36  34.368   9.124 -11.899
  243    HA   GLN  36           HA       GLN  36  35.015   9.981 -14.023
  244   1HB   GLN  36           HB2      GLN  36  33.436  11.701 -14.660
  245   2HB   GLN  36           HB1      GLN  36  32.631  10.640 -13.504
  246   1HG   GLN  36           HG2      GLN  36  32.919  12.204 -11.722
  247   2HG   GLN  36           HG1      GLN  36  34.049  13.176 -12.666
  248   1HE2  GLN  36          HE22      GLN  36  30.279  13.308 -14.249
  249   2HE2  GLN  36          HE21      GLN  36  31.053  11.814 -14.017
   
  No H/Q in entry =         249
  Start of MODEL    8
    1   1H    GLU   1           HT2      GLU   1  18.916  11.420   5.552
    2   2H    GLU   1           HT1      GLU   1  19.421  12.190   6.981
    3   3H    GLU   1           HT3      GLU   1  20.541  11.877   5.746
    4    HA   GLU   1           HA       GLU   1  20.866  10.257   7.478
    5   1HB   GLU   1           HB2      GLU   1  18.076  10.685   7.663
    6   2HB   GLU   1           HB1      GLU   1  18.279   8.978   7.268
    7   1HG   GLU   1           HG2      GLU   1  18.306   9.466   9.741
    8   2HG   GLU   1           HG1      GLU   1  19.756   8.649   9.155
    9    H    ILE   2           HN       ILE   2  19.681   7.660   6.956
   10    HA   ILE   2           HA       ILE   2  20.551   7.246   4.108
   11    HB   ILE   2           HB       ILE   2  20.970   5.732   6.669
   12   1HG1  ILE   2          HG12      ILE   2  22.694   6.943   4.519
   13   2HG1  ILE   2          HG11      ILE   2  22.776   7.189   6.263
   14   1HG2  ILE   2          HG22      ILE   2  21.304   4.631   3.875
   15   2HG2  ILE   2          HG21      ILE   2  21.874   3.848   5.346
   16   3HG2  ILE   2          HG23      ILE   2  20.146   4.074   5.084
   17   1HD1  ILE   2          HD13      ILE   2  23.488   4.614   4.819
   18   2HD1  ILE   2          HD12      ILE   2  24.647   5.776   5.466
   19   3HD1  ILE   2          HD11      ILE   2  23.592   4.881   6.560
   20    H    SER   3           HN       SER   3  19.663   5.146   3.248
   21    HA   SER   3           HA       SER   3  17.375   3.880   4.360
   22   1HB   SER   3           HB2      SER   3  16.999   6.344   2.721
   23   2HB   SER   3           HB1      SER   3  15.876   5.021   2.424
   24    HG   SER   3           HG       SER   3  15.513   6.702   4.219
   25    H    CYS   4           HN       CYS   4  16.438   2.302   2.835
   26    HA   CYS   4           HA       CYS   4  17.152   1.973   0.119
   27   1HB   CYS   4           HB2      CYS   4  19.024   0.224   0.562
   28   2HB   CYS   4           HB1      CYS   4  19.451   1.926   0.706
   29    H    GLU   5           HN       GLU   5  17.557  -0.773  -0.071
   30    HA   GLU   5           HA       GLU   5  14.969  -1.812   0.889
   31   1HB   GLU   5           HB2      GLU   5  17.220  -2.833  -0.866
   32   2HB   GLU   5           HB1      GLU   5  15.795  -3.804  -0.489
   33   1HG   GLU   5           HG2      GLU   5  14.758  -2.792  -2.214
   34   2HG   GLU   5           HG1      GLU   5  14.780  -1.306  -1.262
   35    HA   PRO   6           HA       PRO   6  17.268  -3.218   4.511
   36   1HB   PRO   6           HB2      PRO   6  15.029  -4.125   5.832
   37   2HB   PRO   6           HB1      PRO   6  15.549  -2.427   5.831
   38   1HG   PRO   6           HG2      PRO   6  13.489  -3.771   4.130
   39   2HG   PRO   6           HG1      PRO   6  13.411  -2.209   4.967
   40   1HD   PRO   6           HD2      PRO   6  13.916  -2.344   2.343
   41   2HD   PRO   6           HD1      PRO   6  14.722  -1.138   3.374
   42    H    GLY   7           HN       GLY   7  18.358  -5.101   4.203
   43   1HA   GLY   7           HA2      GLY   7  18.301  -7.552   4.529
   44   2HA   GLY   7           HA1      GLY   7  16.765  -7.570   3.660
   45    H    LYS   8           HN       LYS   8  18.003  -5.496   1.760
   46    HA   LYS   8           HA       LYS   8  19.376  -7.514   0.038
   47   1HB   LYS   8           HB2      LYS   8  18.235  -4.840  -0.779
   48   2HB   LYS   8           HB1      LYS   8  18.510  -6.262  -1.786
   49   1HG   LYS   8           HG2      LYS   8  16.838  -7.285   0.121
   50   2HG   LYS   8           HG1      LYS   8  16.240  -5.630  -0.003
   51   1HD   LYS   8           HD2      LYS   8  15.016  -6.688  -1.684
   52   2HD   LYS   8           HD1      LYS   8  16.397  -6.072  -2.592
   53   1HE   LYS   8           HE2      LYS   8  17.429  -8.449  -1.844
   54   2HE   LYS   8           HE1      LYS   8  15.708  -8.884  -1.886
   55   1HZ   LYS   8           HZ2      LYS   8  16.965  -7.302  -4.047
   56   2HZ   LYS   8           HZ1      LYS   8  16.979  -9.001  -4.076
   57   3HZ   LYS   8           HZ3      LYS   8  15.503  -8.166  -4.084
   58    H    THR   9           HN       THR   9  20.971  -6.399  -1.549
   59    HA   THR   9           HA       THR   9  22.811  -4.697   0.069
   60    HB   THR   9           HB       THR   9  23.463  -6.213  -2.456
   61    HG1  THR   9           HG1      THR   9  23.621  -7.262   0.164
   62   1HG2  THR   9          HG21      THR   9  25.142  -4.653  -1.541
   63   2HG2  THR   9          HG23      THR   9  25.065  -5.485   0.012
   64   3HG2  THR   9          HG22      THR   9  25.689  -6.324  -1.408
   65    H    PHE  10           HN       PHE  10  24.027  -3.008  -1.158
   66    HA   PHE  10           HA       PHE  10  22.999  -2.183  -3.754
   67   1HB   PHE  10           HB2      PHE  10  22.011  -0.077  -2.943
   68   2HB   PHE  10           HB1      PHE  10  21.179  -1.474  -2.284
   69    HD1  PHE  10           HD1      PHE  10  22.945  -2.241   0.046
   70    HD2  PHE  10           HD2      PHE  10  21.749   1.621  -1.416
   71    HE1  PHE  10           HE1      PHE  10  23.252  -1.289   2.297
   72    HE2  PHE  10           HE2      PHE  10  22.043   2.555   0.855
   73    HZ   PHE  10           HZ       PHE  10  22.806   1.111   2.709
   74    H    LYS  11           HN       LYS  11  23.813   0.431  -3.791
   75    HA   LYS  11           HA       LYS  11  26.757   0.095  -3.368
   76   1HB   LYS  11           HB2      LYS  11  25.646   0.592  -5.616
   77   2HB   LYS  11           HB1      LYS  11  25.265   2.190  -4.974
   78   1HG   LYS  11           HG2      LYS  11  27.346   2.896  -5.442
   79   2HG   LYS  11           HG1      LYS  11  28.020   1.624  -4.424
   80   1HD   LYS  11           HD2      LYS  11  28.944   1.093  -6.500
   81   2HD   LYS  11           HD1      LYS  11  27.497   0.084  -6.491
   82   1HE   LYS  11           HE2      LYS  11  26.860   2.737  -7.482
   83   2HE   LYS  11           HE1      LYS  11  28.170   2.006  -8.432
   84   1HZ   LYS  11           HZ3      LYS  11  26.734  -0.110  -8.253
   85   2HZ   LYS  11           HZ2      LYS  11  25.462   0.960  -7.904
   86   3HZ   LYS  11           HZ1      LYS  11  26.291   1.076  -9.382
   87    H    ASP  12           HN       ASP  12  24.350   2.758  -3.181
   88    HA   ASP  12           HA       ASP  12  24.183   4.568  -1.681
   89   1HB   ASP  12           HB2      ASP  12  24.138   2.648  -0.102
   90   2HB   ASP  12           HB1      ASP  12  25.893   2.719   0.008
   91    H    LYS  13           HN       LYS  13  27.170   4.063  -0.051
   92    HA   LYS  13           HA       LYS  13  28.293   6.532  -0.801
   93   1HB   LYS  13           HB2      LYS  13  29.643   3.978   0.119
   94   2HB   LYS  13           HB1      LYS  13  30.322   5.600   0.248
   95   1HG   LYS  13           HG2      LYS  13  28.907   6.211   1.961
   96   2HG   LYS  13           HG1      LYS  13  27.607   5.158   1.404
   97   1HD   LYS  13           HD2      LYS  13  29.371   3.259   2.038
   98   2HD   LYS  13           HD1      LYS  13  29.960   4.516   3.127
   99   1HE   LYS  13           HE2      LYS  13  27.217   4.658   3.488
  100   2HE   LYS  13           HE1      LYS  13  27.504   2.916   3.305
  101   1HZ   LYS  13           HZ1      LYS  13  29.100   4.708   5.057
  102   2HZ   LYS  13           HZ3      LYS  13  27.849   3.705   5.607
  103   3HZ   LYS  13           HZ2      LYS  13  29.248   3.021   4.929
  104    H    CYS  14           HN       CYS  14  31.000   5.680  -1.510
  105    HA   CYS  14           HA       CYS  14  30.591   5.374  -4.431
  106   1HB   CYS  14           HB2      CYS  14  32.948   6.063  -4.519
  107   2HB   CYS  14           HB1      CYS  14  32.052   7.143  -3.449
  108    H    ASN  15           HN       ASN  15  30.878   3.227  -1.926
  109    HA   ASN  15           HA       ASN  15  32.492   1.350  -3.594
  110   1HB   ASN  15           HB2      ASN  15  32.373   1.984  -0.670
  111   2HB   ASN  15           HB1      ASN  15  32.797   0.334  -1.150
  112   1HD2  ASN  15          HD22      ASN  15  35.701   2.973  -1.322
  113   2HD2  ASN  15          HD21      ASN  15  34.370   3.028  -0.270
  114    H    THR  16           HN       THR  16  31.187  -0.324  -0.998
  115    HA   THR  16           HA       THR  16  28.601  -0.770  -2.422
  116    HB   THR  16           HB       THR  16  29.784  -3.285  -1.705
  117    HG1  THR  16           HG1      THR  16  31.429  -3.102  -3.393
  118   1HG2  THR  16          HG21      THR  16  28.761  -1.911  -4.182
  119   2HG2  THR  16          HG23      THR  16  29.454  -3.531  -4.263
  120   3HG2  THR  16          HG22      THR  16  28.026  -3.231  -3.274
  121    H    CYS  17           HN       CYS  17  26.986  -0.971  -1.005
  122    HA   CYS  17           HA       CYS  17  27.638  -1.662   1.812
  123   1HB   CYS  17           HB2      CYS  17  25.342  -0.126   0.618
  124   2HB   CYS  17           HB1      CYS  17  25.580  -0.432   2.338
  125    H    ARG  18           HN       ARG  18  25.516  -2.431   2.940
  126    HA   ARG  18           HA       ARG  18  24.041  -4.456   1.342
  127   1HB   ARG  18           HB2      ARG  18  26.158  -5.353   2.515
  128   2HB   ARG  18           HB1      ARG  18  25.317  -5.024   4.031
  129   1HG   ARG  18           HG2      ARG  18  23.840  -6.746   3.744
  130   2HG   ARG  18           HG1      ARG  18  23.770  -6.529   1.994
  131   1HD   ARG  18           HD2      ARG  18  24.891  -8.658   2.524
  132   2HD   ARG  18           HD1      ARG  18  26.071  -7.528   1.830
  133    HE   ARG  18           HE       ARG  18  25.845  -7.348   4.744
  134   1HH1  ARG  18          HH11      ARG  18  28.390  -6.609   4.083
  135   2HH1  ARG  18          HH12      ARG  18  29.357  -8.045   4.056
  136   1HH2  ARG  18          HH21      ARG  18  26.640 -10.189   3.831
  137   2HH2  ARG  18          HH22      ARG  18  28.366 -10.072   3.912
  138    H    CYS  19           HN       CYS  19  22.214  -2.996   1.628
  139    HA   CYS  19           HA       CYS  19  21.461  -1.709   4.022
  140   1HB   CYS  19           HB2      CYS  19  20.606  -1.417   1.671
  141   2HB   CYS  19           HB1      CYS  19  19.639  -2.883   1.907
  142    H    GLY  20           HN       GLY  20  20.405  -2.364   5.895
  143   1HA   GLY  20           HA2      GLY  20  19.163  -5.070   5.882
  144   2HA   GLY  20           HA1      GLY  20  20.586  -4.897   6.894
  145    H    ALA  21           HN       ALA  21  20.181  -2.415   8.070
  146    HA   ALA  21           HA       ALA  21  18.691  -2.847  10.318
  147   1HB   ALA  21           HB1      ALA  21  19.701  -0.602   8.831
  148   2HB   ALA  21           HB3      ALA  21  18.154  -0.167   9.558
  149   3HB   ALA  21           HB2      ALA  21  19.473  -0.751  10.574
  150    H    ASP  22           HN       ASP  22  17.160  -0.637   8.001
  151    HA   ASP  22           HA       ASP  22  14.799  -2.242   7.550
  152   1HB   ASP  22           HB2      ASP  22  15.044  -1.232  10.114
  153   2HB   ASP  22           HB1      ASP  22  14.042  -0.016   9.321
  154    H    GLY  23           HN       GLY  23  16.394  -0.704   5.859
  155   1HA   GLY  23           HA2      GLY  23  15.963   0.757   4.047
  156   2HA   GLY  23           HA1      GLY  23  14.424   1.186   4.798
  157    H    LYS  24           HN       LYS  24  17.567   1.309   6.400
  158    HA   LYS  24           HA       LYS  24  17.740   4.241   6.123
  159   1HB   LYS  24           HB2      LYS  24  16.738   2.785   8.540
  160   2HB   LYS  24           HB1      LYS  24  17.681   4.257   8.772
  161   1HG   LYS  24           HG2      LYS  24  16.094   5.315   7.024
  162   2HG   LYS  24           HG1      LYS  24  15.053   3.924   7.331
  163   1HD   LYS  24           HD2      LYS  24  16.109   5.361   9.716
  164   2HD   LYS  24           HD1      LYS  24  14.875   6.190   8.769
  165   1HE   LYS  24           HE2      LYS  24  13.250   4.827   9.572
  166   2HE   LYS  24           HE1      LYS  24  14.196   3.378   9.177
  167   1HZ   LYS  24           HZ1      LYS  24  14.672   5.153  11.514
  168   2HZ   LYS  24           HZ3      LYS  24  13.915   3.638  11.582
  169   3HZ   LYS  24           HZ2      LYS  24  15.550   3.749  11.132
  170    H    SER  25           HN       SER  25  19.332   1.255   6.572
  171    HA   SER  25           HA       SER  25  21.829   2.691   6.798
  172   1HB   SER  25           HB2      SER  25  22.237   1.247   9.042
  173   2HB   SER  25           HB1      SER  25  21.585   2.883   9.077
  174    HG   SER  25           HG       SER  25  20.349   1.283  10.257
  175    H    ALA  26           HN       ALA  26  23.680   0.953   7.109
  176    HA   ALA  26           HA       ALA  26  23.036  -1.795   6.409
  177   1HB   ALA  26           HB1      ALA  26  22.431  -0.183   4.454
  178   2HB   ALA  26           HB3      ALA  26  24.172  -0.138   4.183
  179   3HB   ALA  26           HB2      ALA  26  23.308  -1.662   4.103
  180    H    ALA  27           HN       ALA  27  25.017  -3.062   6.014
  181    HA   ALA  27           HA       ALA  27  27.450  -1.787   7.159
  182   1HB   ALA  27           HB2      ALA  27  26.306  -4.374   7.100
  183   2HB   ALA  27           HB1      ALA  27  27.782  -4.477   6.141
  184   3HB   ALA  27           HB3      ALA  27  27.855  -3.917   7.811
  185    H    CYS  28           HN       CYS  28  29.259  -1.304   5.817
  186    HA   CYS  28           HA       CYS  28  28.827  -1.917   2.935
  187   1HB   CYS  28           HB2      CYS  28  28.366   0.431   4.001
  188   2HB   CYS  28           HB1      CYS  28  30.104   0.608   3.870
  189    H    THR  29           HN       THR  29  30.920  -1.068   1.721
  190    HA   THR  29           HA       THR  29  33.368  -2.043   3.098
  191    HB   THR  29           HB       THR  29  31.869  -3.607   1.398
  192    HG1  THR  29           HG1      THR  29  33.462  -4.892   1.818
  193   1HG2  THR  29          HG23      THR  29  32.585  -1.847  -0.405
  194   2HG2  THR  29          HG22      THR  29  34.134  -2.688  -0.347
  195   3HG2  THR  29          HG21      THR  29  32.671  -3.565  -0.796
  196    H    LEU  30           HN       LEU  30  35.303  -1.247   1.951
  197    HA   LEU  30           HA       LEU  30  34.703   1.276   0.481
  198   1HB   LEU  30           HB2      LEU  30  37.004   0.557   2.311
  199   2HB   LEU  30           HB1      LEU  30  36.720   2.141   1.589
  200    HG   LEU  30           HG       LEU  30  35.807   2.335   3.759
  201   1HD1  LEU  30          HD12      LEU  30  34.202   2.671   1.627
  202   2HD1  LEU  30          HD11      LEU  30  33.277   1.434   2.479
  203   3HD1  LEU  30          HD13      LEU  30  33.652   2.961   3.278
  204   1HD2  LEU  30          HD23      LEU  30  35.721  -0.411   3.724
  205   2HD2  LEU  30          HD22      LEU  30  35.036   0.597   4.998
  206   3HD2  LEU  30          HD21      LEU  30  34.007   0.007   3.692
  207    H    LYS  31           HN       LYS  31  34.852  -0.369  -1.458
  208    HA   LYS  31           HA       LYS  31  37.584  -1.170  -2.222
  209   1HB   LYS  31           HB2      LYS  31  36.442  -2.087  -4.148
  210   2HB   LYS  31           HB1      LYS  31  35.422  -2.401  -2.744
  211   1HG   LYS  31           HG2      LYS  31  33.988  -0.535  -3.278
  212   2HG   LYS  31           HG1      LYS  31  35.083   0.007  -4.550
  213   1HD   LYS  31           HD2      LYS  31  34.693  -2.377  -5.553
  214   2HD   LYS  31           HD1      LYS  31  33.260  -2.385  -4.523
  215   1HE   LYS  31           HE2      LYS  31  32.734  -0.068  -5.570
  216   2HE   LYS  31           HE1      LYS  31  33.908  -0.532  -6.819
  217   1HZ   LYS  31           HZ2      LYS  31  32.577  -2.784  -6.650
  218   2HZ   LYS  31           HZ1      LYS  31  31.328  -1.743  -6.156
  219   3HZ   LYS  31           HZ3      LYS  31  32.060  -1.527  -7.670
  220    H    ALA  32           HN       ALA  32  37.369  -0.457  -4.985
  221    HA   ALA  32           HA       ALA  32  38.476   2.197  -4.963
  222   1HB   ALA  32           HB1      ALA  32  37.300   0.472  -7.166
  223   2HB   ALA  32           HB3      ALA  32  38.253   1.930  -7.449
  224   3HB   ALA  32           HB2      ALA  32  38.993   0.530  -6.672
  225    H    CYS  33           HN       CYS  33  37.495   4.176  -5.704
  226    HA   CYS  33           HA       CYS  33  34.497   4.138  -5.812
  227   1HB   CYS  33           HB2      CYS  33  36.462   5.990  -4.443
  228   2HB   CYS  33           HB1      CYS  33  34.770   6.425  -4.687
  229    HA   PRO  34           HA       PRO  34  35.100   6.055  -9.747
  230   1HB   PRO  34           HB2      PRO  34  32.573   7.117  -9.997
  231   2HB   PRO  34           HB1      PRO  34  32.947   5.403 -10.272
  232   1HG   PRO  34           HG2      PRO  34  31.842   6.725  -7.829
  233   2HG   PRO  34           HG1      PRO  34  31.338   5.218  -8.617
  234   1HD   PRO  34           HD2      PRO  34  32.875   5.185  -6.426
  235   2HD   PRO  34           HD1      PRO  34  33.116   4.007  -7.739
  236    H    ASN  35           HN       ASN  35  34.656   8.372 -10.684
  237    HA   ASN  35           HA       ASN  35  34.385  10.558  -8.772
  238   1HB   ASN  35           HB2      ASN  35  36.825  11.275  -9.206
  239   2HB   ASN  35           HB1      ASN  35  36.581   9.915  -8.110
  240   1HD2  ASN  35          HD22      ASN  35  38.702   9.354 -11.477
  241   2HD2  ASN  35          HD21      ASN  35  38.227  10.892 -10.937
  242    H    GLN  36           HN       GLN  36  32.870  10.454 -10.906
  243    HA   GLN  36           HA       GLN  36  34.206  11.800 -13.202
  244   1HB   GLN  36           HB2      GLN  36  31.683  10.275 -12.674
  245   2HB   GLN  36           HB1      GLN  36  31.696  11.416 -14.019
  246   1HG   GLN  36           HG2      GLN  36  33.983   9.499 -13.726
  247   2HG   GLN  36           HG1      GLN  36  32.459   8.914 -14.396
  248   1HE2  GLN  36          HE21      GLN  36  33.788   8.674 -16.464
  249   2HE2  GLN  36          HE22      GLN  36  33.984  10.040 -17.453
   
  No H/Q in entry =         249
  Start of MODEL    9
    1   1H    GLU   1           HT3      GLU   1  17.440  10.101   6.703
    2   2H    GLU   1           HT2      GLU   1  17.937  11.453   7.604
    3   3H    GLU   1           HT1      GLU   1  18.373  11.310   5.968
    4    HA   GLU   1           HA       GLU   1  20.256  10.768   7.407
    5   1HB   GLU   1           HB2      GLU   1  18.144   9.722   8.914
    6   2HB   GLU   1           HB1      GLU   1  19.048   8.300   8.394
    7   1HG   GLU   1           HG2      GLU   1  21.128   9.283   9.260
    8   2HG   GLU   1           HG1      GLU   1  20.249  10.731   9.751
    9    H    ILE   2           HN       ILE   2  18.360   7.828   6.697
   10    HA   ILE   2           HA       ILE   2  19.822   7.390   4.164
   11    HB   ILE   2           HB       ILE   2  20.254   5.883   6.725
   12   1HG1  ILE   2          HG12      ILE   2  21.951   7.262   4.662
   13   2HG1  ILE   2          HG11      ILE   2  21.964   7.461   6.414
   14   1HG2  ILE   2          HG23      ILE   2  20.795   4.834   3.943
   15   2HG2  ILE   2          HG22      ILE   2  21.343   4.080   5.438
   16   3HG2  ILE   2          HG21      ILE   2  19.620   4.184   5.088
   17   1HD1  ILE   2          HD13      ILE   2  22.744   4.966   6.446
   18   2HD1  ILE   2          HD12      ILE   2  23.164   5.250   4.756
   19   3HD1  ILE   2          HD11      ILE   2  23.918   6.214   6.026
   20    H    SER   3           HN       SER   3  19.136   5.227   3.247
   21    HA   SER   3           HA       SER   3  16.882   3.806   4.247
   22   1HB   SER   3           HB2      SER   3  15.580   5.002   2.074
   23   2HB   SER   3           HB1      SER   3  15.268   5.326   3.776
   24    HG   SER   3           HG       SER   3  16.623   6.812   1.886
   25    H    CYS   4           HN       CYS   4  16.421   1.995   2.899
   26    HA   CYS   4           HA       CYS   4  17.082   1.790   0.125
   27   1HB   CYS   4           HB2      CYS   4  19.164   0.293   0.566
   28   2HB   CYS   4           HB1      CYS   4  19.362   2.037   0.662
   29    H    GLU   5           HN       GLU   5  17.234  -0.591  -0.545
   30    HA   GLU   5           HA       GLU   5  15.048  -2.094   0.410
   31   1HB   GLU   5           HB2      GLU   5  17.648  -3.085  -0.813
   32   2HB   GLU   5           HB1      GLU   5  16.091  -3.914  -0.868
   33   1HG   GLU   5           HG2      GLU   5  15.404  -1.461  -1.854
   34   2HG   GLU   5           HG1      GLU   5  17.056  -1.615  -2.456
   35    HA   PRO   6           HA       PRO   6  16.971  -2.995   4.393
   36   1HB   PRO   6           HB2      PRO   6  14.684  -4.065   5.477
   37   2HB   PRO   6           HB1      PRO   6  15.013  -2.321   5.400
   38   1HG   PRO   6           HG2      PRO   6  13.362  -4.011   3.569
   39   2HG   PRO   6           HG1      PRO   6  13.002  -2.416   4.258
   40   1HD   PRO   6           HD2      PRO   6  13.875  -2.676   1.740
   41   2HD   PRO   6           HD1      PRO   6  14.382  -1.309   2.759
   42    H    GLY   7           HN       GLY   7  18.241  -4.795   4.534
   43   1HA   GLY   7           HA2      GLY   7  18.438  -7.180   4.986
   44   2HA   GLY   7           HA1      GLY   7  16.975  -7.444   4.038
   45    H    LYS   8           HN       LYS   8  18.087  -5.520   1.942
   46    HA   LYS   8           HA       LYS   8  19.804  -7.565   0.600
   47   1HB   LYS   8           HB2      LYS   8  18.158  -5.239  -0.442
   48   2HB   LYS   8           HB1      LYS   8  19.043  -6.382  -1.452
   49   1HG   LYS   8           HG2      LYS   8  16.903  -7.204   0.530
   50   2HG   LYS   8           HG1      LYS   8  16.598  -6.935  -1.186
   51   1HD   LYS   8           HD2      LYS   8  18.903  -8.637  -0.875
   52   2HD   LYS   8           HD1      LYS   8  17.546  -9.305   0.034
   53   1HE   LYS   8           HE2      LYS   8  16.115  -9.190  -1.964
   54   2HE   LYS   8           HE1      LYS   8  17.447  -8.467  -2.889
   55   1HZ   LYS   8           HZ2      LYS   8  18.809 -10.421  -2.260
   56   2HZ   LYS   8           HZ1      LYS   8  17.424 -11.136  -1.582
   57   3HZ   LYS   8           HZ3      LYS   8  17.486 -10.820  -3.247
   58    H    THR   9           HN       THR   9  21.264  -6.352  -1.146
   59    HA   THR   9           HA       THR   9  22.860  -4.326   0.364
   60    HB   THR   9           HB       THR   9  23.781  -5.878  -2.042
   61    HG1  THR   9           HG1      THR   9  23.230  -7.592  -0.943
   62   1HG2  THR   9          HG23      THR   9  25.133  -4.059  -0.838
   63   2HG2  THR   9          HG22      THR   9  25.257  -5.199   0.503
   64   3HG2  THR   9          HG21      THR   9  25.934  -5.613  -1.071
   65    H    PHE  10           HN       PHE  10  23.798  -2.550  -0.951
   66    HA   PHE  10           HA       PHE  10  22.597  -2.079  -3.585
   67   1HB   PHE  10           HB2      PHE  10  21.655   0.093  -2.800
   68   2HB   PHE  10           HB1      PHE  10  20.891  -1.298  -2.048
   69    HD1  PHE  10           HD1      PHE  10  22.540  -2.048   0.240
   70    HD2  PHE  10           HD2      PHE  10  21.788   1.864  -1.378
   71    HE1  PHE  10           HE1      PHE  10  23.018  -1.030   2.433
   72    HE2  PHE  10           HE2      PHE  10  22.248   2.854   0.835
   73    HZ   PHE  10           HZ       PHE  10  22.878   1.419   2.741
   74    H    LYS  11           HN       LYS  11  23.308   0.547  -3.896
   75    HA   LYS  11           HA       LYS  11  26.249   0.302  -3.985
   76   1HB   LYS  11           HB2      LYS  11  25.008   1.081  -5.927
   77   2HB   LYS  11           HB1      LYS  11  24.242   2.356  -4.979
   78   1HG   LYS  11           HG2      LYS  11  26.645   3.176  -4.495
   79   2HG   LYS  11           HG1      LYS  11  27.126   2.137  -5.837
   80   1HD   LYS  11           HD2      LYS  11  24.825   4.012  -6.237
   81   2HD   LYS  11           HD1      LYS  11  26.462   4.668  -6.266
   82   1HE   LYS  11           HE2      LYS  11  26.841   2.522  -7.865
   83   2HE   LYS  11           HE1      LYS  11  25.129   2.844  -8.204
   84   1HZ   LYS  11           HZ1      LYS  11  25.827   5.264  -8.355
   85   2HZ   LYS  11           HZ3      LYS  11  27.423   4.699  -8.451
   86   3HZ   LYS  11           HZ2      LYS  11  26.296   4.260  -9.643
   87    H    ASP  12           HN       ASP  12  24.797   3.454  -3.535
   88    HA   ASP  12           HA       ASP  12  25.081   5.060  -1.820
   89   1HB   ASP  12           HB2      ASP  12  24.232   2.809  -0.640
   90   2HB   ASP  12           HB1      ASP  12  25.851   2.863   0.060
   91    H    LYS  13           HN       LYS  13  26.878   6.281  -1.114
   92    HA   LYS  13           HA       LYS  13  29.160   6.869  -0.902
   93   1HB   LYS  13           HB2      LYS  13  29.402   3.892  -0.353
   94   2HB   LYS  13           HB1      LYS  13  30.531   5.147   0.161
   95   1HG   LYS  13           HG2      LYS  13  27.775   5.718   0.966
   96   2HG   LYS  13           HG1      LYS  13  28.383   4.208   1.646
   97   1HD   LYS  13           HD2      LYS  13  29.682   5.328   3.101
   98   2HD   LYS  13           HD1      LYS  13  30.432   6.235   1.786
   99   1HE   LYS  13           HE2      LYS  13  29.018   8.042   2.046
  100   2HE   LYS  13           HE1      LYS  13  27.663   7.033   2.589
  101   1HZ   LYS  13           HZ1      LYS  13  30.149   7.358   4.170
  102   2HZ   LYS  13           HZ3      LYS  13  28.807   8.374   4.375
  103   3HZ   LYS  13           HZ2      LYS  13  28.664   6.709   4.681
  104    H    CYS  14           HN       CYS  14  31.430   5.176  -1.607
  105    HA   CYS  14           HA       CYS  14  31.057   5.147  -4.578
  106   1HB   CYS  14           HB2      CYS  14  33.432   5.611  -4.668
  107   2HB   CYS  14           HB1      CYS  14  32.721   6.700  -3.475
  108    H    ASN  15           HN       ASN  15  31.101   2.986  -2.040
  109    HA   ASN  15           HA       ASN  15  32.385   0.894  -3.745
  110   1HB   ASN  15           HB2      ASN  15  32.464   1.529  -0.810
  111   2HB   ASN  15           HB1      ASN  15  32.722  -0.139  -1.337
  112   1HD2  ASN  15          HD22      ASN  15  35.745   2.449  -1.698
  113   2HD2  ASN  15          HD21      ASN  15  34.388   2.710  -0.711
  114    H    THR  16           HN       THR  16  31.030  -0.540  -1.037
  115    HA   THR  16           HA       THR  16  28.321  -0.674  -2.279
  116    HB   THR  16           HB       THR  16  29.148  -3.321  -1.587
  117    HG1  THR  16           HG1      THR  16  30.745  -2.180  -3.604
  118   1HG2  THR  16          HG22      THR  16  27.428  -2.312  -3.273
  119   2HG2  THR  16          HG21      THR  16  28.802  -2.239  -4.373
  120   3HG2  THR  16          HG23      THR  16  28.278  -3.791  -3.719
  121    H    CYS  17           HN       CYS  17  26.756  -0.719  -0.776
  122    HA   CYS  17           HA       CYS  17  27.513  -1.344   2.046
  123   1HB   CYS  17           HB2      CYS  17  25.345   0.377   0.873
  124   2HB   CYS  17           HB1      CYS  17  25.646   0.161   2.597
  125    H    ARG  18           HN       ARG  18  26.239  -2.825   3.195
  126    HA   ARG  18           HA       ARG  18  24.155  -4.262   1.646
  127   1HB   ARG  18           HB2      ARG  18  25.888  -5.628   2.644
  128   2HB   ARG  18           HB1      ARG  18  25.709  -4.807   4.195
  129   1HG   ARG  18           HG2      ARG  18  23.304  -5.647   4.223
  130   2HG   ARG  18           HG1      ARG  18  23.739  -6.672   2.855
  131   1HD   ARG  18           HD2      ARG  18  24.475  -8.195   4.371
  132   2HD   ARG  18           HD1      ARG  18  25.792  -7.067   4.747
  133    HE   ARG  18           HE       ARG  18  23.373  -6.244   6.075
  134   1HH1  ARG  18          HH11      ARG  18  26.253  -6.486   7.160
  135   2HH1  ARG  18          HH12      ARG  18  26.018  -7.657   8.415
  136   1HH2  ARG  18          HH21      ARG  18  22.906  -8.662   7.259
  137   2HH2  ARG  18          HH22      ARG  18  24.123  -8.889   8.471
  138    H    CYS  19           HN       CYS  19  22.297  -2.928   1.865
  139    HA   CYS  19           HA       CYS  19  21.585  -1.405   4.138
  140   1HB   CYS  19           HB2      CYS  19  20.668  -1.349   1.797
  141   2HB   CYS  19           HB1      CYS  19  19.728  -2.799   2.197
  142    H    GLY  20           HN       GLY  20  20.510  -1.876   6.058
  143   1HA   GLY  20           HA2      GLY  20  20.291  -4.795   6.650
  144   2HA   GLY  20           HA1      GLY  20  20.382  -3.515   7.856
  145    H    ALA  21           HN       ALA  21  18.475  -5.281   8.364
  146    HA   ALA  21           HA       ALA  21  15.955  -5.293   7.244
  147   1HB   ALA  21           HB2      ALA  21  17.147  -5.530   9.892
  148   2HB   ALA  21           HB1      ALA  21  15.527  -4.839   9.989
  149   3HB   ALA  21           HB3      ALA  21  15.774  -6.405   9.216
  150    H    ASP  22           HN       ASP  22  17.264  -2.759   9.380
  151    HA   ASP  22           HA       ASP  22  14.975  -0.987   8.955
  152   1HB   ASP  22           HB2      ASP  22  16.636   0.641  10.096
  153   2HB   ASP  22           HB1      ASP  22  16.143  -0.771  11.029
  154    H    GLY  23           HN       GLY  23  14.953  -0.916   6.622
  155   1HA   GLY  23           HA2      GLY  23  16.915  -0.487   4.784
  156   2HA   GLY  23           HA1      GLY  23  15.359   0.322   4.653
  157    H    LYS  24           HN       LYS  24  16.048   1.811   7.252
  158    HA   LYS  24           HA       LYS  24  17.196   4.150   5.984
  159   1HB   LYS  24           HB2      LYS  24  16.633   3.556   8.899
  160   2HB   LYS  24           HB1      LYS  24  16.757   5.148   8.150
  161   1HG   LYS  24           HG2      LYS  24  14.551   5.065   7.717
  162   2HG   LYS  24           HG1      LYS  24  14.858   3.713   6.626
  163   1HD   LYS  24           HD2      LYS  24  13.220   3.018   8.285
  164   2HD   LYS  24           HD1      LYS  24  14.733   2.166   8.590
  165   1HE   LYS  24           HE2      LYS  24  15.116   3.281  10.569
  166   2HE   LYS  24           HE1      LYS  24  14.378   4.784   9.978
  167   1HZ   LYS  24           HZ1      LYS  24  12.212   3.641  10.018
  168   2HZ   LYS  24           HZ3      LYS  24  12.949   2.287  10.727
  169   3HZ   LYS  24           HZ2      LYS  24  12.905   3.765  11.565
  170    H    SER  25           HN       SER  25  18.894   1.495   6.638
  171    HA   SER  25           HA       SER  25  21.276   3.095   7.098
  172   1HB   SER  25           HB2      SER  25  21.678   1.506   9.238
  173   2HB   SER  25           HB1      SER  25  20.869   3.064   9.366
  174    HG   SER  25           HG       SER  25  19.746   1.209  10.311
  175    H    ALA  26           HN       ALA  26  23.258   1.558   7.332
  176    HA   ALA  26           HA       ALA  26  22.983  -1.211   6.529
  177   1HB   ALA  26           HB1      ALA  26  22.235   0.272   4.538
  178   2HB   ALA  26           HB3      ALA  26  23.950   0.644   4.363
  179   3HB   ALA  26           HB2      ALA  26  23.392  -1.022   4.220
  180    H    ALA  27           HN       ALA  27  25.061  -2.231   6.262
  181    HA   ALA  27           HA       ALA  27  27.346  -0.630   7.347
  182   1HB   ALA  27           HB1      ALA  27  26.550  -3.508   7.079
  183   2HB   ALA  27           HB3      ALA  27  28.278  -3.155   7.059
  184   3HB   ALA  27           HB2      ALA  27  27.297  -2.684   8.448
  185    H    CYS  28           HN       CYS  28  29.517  -0.968   5.950
  186    HA   CYS  28           HA       CYS  28  28.738  -1.513   3.149
  187   1HB   CYS  28           HB2      CYS  28  28.686   0.941   4.059
  188   2HB   CYS  28           HB1      CYS  28  30.414   0.851   3.786
  189    H    THR  29           HN       THR  29  30.846  -1.060   1.745
  190    HA   THR  29           HA       THR  29  33.214  -2.289   3.055
  191    HB   THR  29           HB       THR  29  31.398  -3.779   1.652
  192    HG1  THR  29           HG1      THR  29  34.169  -4.230   1.383
  193   1HG2  THR  29          HG21      THR  29  32.142  -2.272  -0.376
  194   2HG2  THR  29          HG23      THR  29  33.543  -3.342  -0.400
  195   3HG2  THR  29          HG22      THR  29  31.922  -4.006  -0.605
  196    H    LEU  30           HN       LEU  30  35.137  -1.960   1.671
  197    HA   LEU  30           HA       LEU  30  34.853   0.551   0.082
  198   1HB   LEU  30           HB2      LEU  30  37.265  -0.524   1.558
  199   2HB   LEU  30           HB1      LEU  30  37.027   1.114   0.949
  200    HG   LEU  30           HG       LEU  30  35.113  -0.089   2.947
  201   1HD1  LEU  30          HD12      LEU  30  37.636  -0.069   3.653
  202   2HD1  LEU  30          HD11      LEU  30  37.391   1.672   3.783
  203   3HD1  LEU  30          HD13      LEU  30  36.418   0.568   4.758
  204   1HD2  LEU  30          HD22      LEU  30  35.105   2.252   1.480
  205   2HD2  LEU  30          HD21      LEU  30  34.211   1.991   2.978
  206   3HD2  LEU  30          HD23      LEU  30  35.795   2.766   3.020
  207    H    LYS  31           HN       LYS  31  36.581   0.865  -1.523
  208    HA   LYS  31           HA       LYS  31  38.255  -1.030  -2.713
  209   1HB   LYS  31           HB2      LYS  31  35.504  -1.739  -2.906
  210   2HB   LYS  31           HB1      LYS  31  35.990  -1.193  -4.509
  211   1HG   LYS  31           HG2      LYS  31  37.277  -3.018  -4.854
  212   2HG   LYS  31           HG1      LYS  31  38.010  -2.895  -3.255
  213   1HD   LYS  31           HD2      LYS  31  36.170  -4.049  -2.231
  214   2HD   LYS  31           HD1      LYS  31  35.214  -3.959  -3.711
  215   1HE   LYS  31           HE2      LYS  31  36.087  -5.945  -4.355
  216   2HE   LYS  31           HE1      LYS  31  37.700  -5.205  -4.375
  217   1HZ   LYS  31           HZ3      LYS  31  36.404  -6.015  -1.845
  218   2HZ   LYS  31           HZ2      LYS  31  37.319  -7.121  -2.754
  219   3HZ   LYS  31           HZ1      LYS  31  38.047  -5.713  -2.138
  220    H    ALA  32           HN       ALA  32  38.245  -0.449  -5.327
  221    HA   ALA  32           HA       ALA  32  39.043   2.193  -5.648
  222   1HB   ALA  32           HB3      ALA  32  39.004   0.114  -7.235
  223   2HB   ALA  32           HB2      ALA  32  37.466   0.779  -7.784
  224   3HB   ALA  32           HB1      ALA  32  38.946   1.726  -7.946
  225    H    CYS  33           HN       CYS  33  38.000   4.128  -6.259
  226    HA   CYS  33           HA       CYS  33  35.011   4.142  -6.282
  227   1HB   CYS  33           HB2      CYS  33  36.915   5.820  -4.615
  228   2HB   CYS  33           HB1      CYS  33  35.194   6.169  -4.776
  229    HA   PRO  34           HA       PRO  34  36.451   6.425  -9.919
  230   1HB   PRO  34           HB2      PRO  34  33.963   6.500 -11.091
  231   2HB   PRO  34           HB1      PRO  34  35.066   5.113 -11.210
  232   1HG   PRO  34           HG2      PRO  34  32.761   5.537  -9.353
  233   2HG   PRO  34           HG1      PRO  34  33.206   4.091 -10.279
  234   1HD   PRO  34           HD2      PRO  34  33.780   4.293  -7.673
  235   2HD   PRO  34           HD1      PRO  34  34.907   3.507  -8.806
  236    H    ASN  35           HN       ASN  35  36.649   8.618  -9.915
  237    HA   ASN  35           HA       ASN  35  34.604  10.233  -8.445
  238   1HB   ASN  35           HB2      ASN  35  36.879  10.366  -7.598
  239   2HB   ASN  35           HB1      ASN  35  37.504  10.692  -9.215
  240   1HD2  ASN  35          HD22      ASN  35  37.256  14.138  -8.509
  241   2HD2  ASN  35          HD21      ASN  35  38.243  12.846  -8.999
  242    H    GLN  36           HN       GLN  36  35.593   9.416 -11.573
  243    HA   GLN  36           HA       GLN  36  34.923  12.044 -12.775
  244   1HB   GLN  36           HB2      GLN  36  36.724  10.051 -13.340
  245   2HB   GLN  36           HB1      GLN  36  35.424   9.678 -14.472
  246   1HG   GLN  36           HG2      GLN  36  35.929  12.532 -14.400
  247   2HG   GLN  36           HG1      GLN  36  37.405  11.645 -14.782
  248   1HE2  GLN  36          HE22      GLN  36  34.341  11.724 -17.471
  249   2HE2  GLN  36          HE21      GLN  36  34.150  12.402 -15.928
   
  No H/Q in entry =         249
  Start of MODEL   10
    1   1H    GLU   1           HT2      GLU   1  18.653   9.588   7.017
    2   2H    GLU   1           HT1      GLU   1  19.214   9.051   8.527
    3   3H    GLU   1           HT3      GLU   1  19.048  10.712   8.229
    4    HA   GLU   1           HA       GLU   1  20.928  10.829   6.920
    5   1HB   GLU   1           HB2      GLU   1  21.469   8.503   8.788
    6   2HB   GLU   1           HB1      GLU   1  22.604   9.757   8.289
    7   1HG   GLU   1           HG2      GLU   1  21.244  11.461   9.432
    8   2HG   GLU   1           HG1      GLU   1  20.089  10.220   9.920
    9    H    ILE   2           HN       ILE   2  19.487   7.625   6.966
   10    HA   ILE   2           HA       ILE   2  20.780   7.051   4.339
   11    HB   ILE   2           HB       ILE   2  20.916   5.464   6.888
   12   1HG1  ILE   2          HG12      ILE   2  22.870   6.571   4.882
   13   2HG1  ILE   2          HG11      ILE   2  22.851   6.786   6.632
   14   1HG2  ILE   2          HG23      ILE   2  21.326   4.407   4.087
   15   2HG2  ILE   2          HG22      ILE   2  21.765   3.547   5.559
   16   3HG2  ILE   2          HG21      ILE   2  20.072   3.907   5.223
   17   1HD1  ILE   2          HD11      ILE   2  23.092   4.052   6.394
   18   2HD1  ILE   2          HD13      ILE   2  24.039   4.625   5.022
   19   3HD1  ILE   2          HD12      ILE   2  24.439   5.160   6.654
   20    H    SER   3           HN       SER   3  19.768   5.053   3.391
   21    HA   SER   3           HA       SER   3  17.335   3.950   4.352
   22   1HB   SER   3           HB2      SER   3  17.227   6.449   2.697
   23   2HB   SER   3           HB1      SER   3  15.985   5.230   2.427
   24    HG   SER   3           HG       SER   3  16.067   5.356   4.960
   25    H    CYS   4           HN       CYS   4  16.507   2.354   2.858
   26    HA   CYS   4           HA       CYS   4  17.156   2.061   0.126
   27   1HB   CYS   4           HB2      CYS   4  19.084   0.355   0.500
   28   2HB   CYS   4           HB1      CYS   4  19.471   2.066   0.626
   29    H    GLU   5           HN       GLU   5  17.199  -0.431  -0.470
   30    HA   GLU   5           HA       GLU   5  14.835  -1.660   0.547
   31   1HB   GLU   5           HB2      GLU   5  17.081  -2.253  -1.257
   32   2HB   GLU   5           HB1      GLU   5  16.409  -3.695  -0.493
   33   1HG   GLU   5           HG2      GLU   5  14.183  -3.149  -1.281
   34   2HG   GLU   5           HG1      GLU   5  14.739  -1.594  -1.901
   35    HA   PRO   6           HA       PRO   6  16.796  -2.769   4.441
   36   1HB   PRO   6           HB2      PRO   6  14.481  -3.730   5.568
   37   2HB   PRO   6           HB1      PRO   6  14.925  -2.011   5.539
   38   1HG   PRO   6           HG2      PRO   6  13.093  -3.527   3.733
   39   2HG   PRO   6           HG1      PRO   6  12.892  -1.918   4.456
   40   1HD   PRO   6           HD2      PRO   6  13.650  -2.222   1.897
   41   2HD   PRO   6           HD1      PRO   6  14.280  -0.900   2.909
   42    H    GLY   7           HN       GLY   7  17.920  -4.646   4.648
   43   1HA   GLY   7           HA2      GLY   7  18.046  -7.028   5.011
   44   2HA   GLY   7           HA1      GLY   7  16.532  -7.216   4.128
   45    H    LYS   8           HN       LYS   8  17.855  -5.217   2.093
   46    HA   LYS   8           HA       LYS   8  19.220  -7.398   0.572
   47   1HB   LYS   8           HB2      LYS   8  18.207  -4.760  -0.489
   48   2HB   LYS   8           HB1      LYS   8  18.460  -6.266  -1.369
   49   1HG   LYS   8           HG2      LYS   8  16.422  -5.961   0.854
   50   2HG   LYS   8           HG1      LYS   8  16.037  -5.751  -0.854
   51   1HD   LYS   8           HD2      LYS   8  17.526  -8.202  -0.448
   52   2HD   LYS   8           HD1      LYS   8  16.088  -8.175   0.573
   53   1HE   LYS   8           HE2      LYS   8  14.673  -8.328  -1.216
   54   2HE   LYS   8           HE1      LYS   8  15.653  -7.222  -2.199
   55   1HZ   LYS   8           HZ2      LYS   8  16.400 -10.019  -1.521
   56   2HZ   LYS   8           HZ1      LYS   8  15.770  -9.520  -3.017
   57   3HZ   LYS   8           HZ3      LYS   8  17.285  -8.955  -2.505
   58    H    THR   9           HN       THR   9  20.906  -6.493  -1.017
   59    HA   THR   9           HA       THR   9  22.759  -4.701   0.491
   60    HB   THR   9           HB       THR   9  23.421  -6.434  -1.890
   61    HG1  THR   9           HG1      THR   9  23.039  -7.181   0.809
   62   1HG2  THR   9          HG22      THR   9  24.923  -5.378   0.513
   63   2HG2  THR   9          HG21      THR   9  25.586  -6.607  -0.565
   64   3HG2  THR   9          HG23      THR   9  25.206  -5.000  -1.186
   65    H    PHE  10           HN       PHE  10  24.162  -3.297  -1.043
   66    HA   PHE  10           HA       PHE  10  23.108  -2.642  -3.647
   67   1HB   PHE  10           HB2      PHE  10  22.160  -0.436  -3.021
   68   2HB   PHE  10           HB1      PHE  10  21.276  -1.772  -2.310
   69    HD1  PHE  10           HD1      PHE  10  23.226  -2.340   0.079
   70    HD2  PHE  10           HD2      PHE  10  21.589   1.287  -1.545
   71    HE1  PHE  10           HE1      PHE  10  23.447  -1.269   2.263
   72    HE2  PHE  10           HE2      PHE  10  21.801   2.351   0.674
   73    HZ   PHE  10           HZ       PHE  10  22.744   1.086   2.581
   74    H    LYS  11           HN       LYS  11  23.941  -0.029  -3.879
   75    HA   LYS  11           HA       LYS  11  26.874  -0.334  -3.327
   76   1HB   LYS  11           HB2      LYS  11  25.615  -0.053  -5.667
   77   2HB   LYS  11           HB1      LYS  11  25.717   1.657  -5.246
   78   1HG   LYS  11           HG2      LYS  11  27.730   1.322  -6.388
   79   2HG   LYS  11           HG1      LYS  11  28.220   1.106  -4.708
   80   1HD   LYS  11           HD2      LYS  11  29.019  -0.913  -5.324
   81   2HD   LYS  11           HD1      LYS  11  27.337  -1.424  -5.474
   82   1HE   LYS  11           HE2      LYS  11  27.954  -1.870  -7.644
   83   2HE   LYS  11           HE1      LYS  11  27.697  -0.126  -7.861
   84   1HZ   LYS  11           HZ3      LYS  11  30.258  -1.218  -6.857
   85   2HZ   LYS  11           HZ2      LYS  11  29.964  -1.029  -8.520
   86   3HZ   LYS  11           HZ1      LYS  11  29.950   0.324  -7.492
   87    H    ASP  12           HN       ASP  12  24.440   2.290  -3.636
   88    HA   ASP  12           HA       ASP  12  24.215   4.311  -2.444
   89   1HB   ASP  12           HB2      ASP  12  23.997   2.630  -0.629
   90   2HB   ASP  12           HB1      ASP  12  25.744   2.669  -0.399
   91    H    LYS  13           HN       LYS  13  27.112   3.884  -0.590
   92    HA   LYS  13           HA       LYS  13  28.345   6.253  -1.470
   93   1HB   LYS  13           HB2      LYS  13  29.711   3.765  -0.416
   94   2HB   LYS  13           HB1      LYS  13  30.228   5.437  -0.199
   95   1HG   LYS  13           HG2      LYS  13  27.656   5.501   0.780
   96   2HG   LYS  13           HG1      LYS  13  28.200   3.899   1.276
   97   1HD   LYS  13           HD2      LYS  13  30.094   4.804   2.438
   98   2HD   LYS  13           HD1      LYS  13  29.835   6.403   1.739
   99   1HE   LYS  13           HE2      LYS  13  28.870   6.665   3.864
  100   2HE   LYS  13           HE1      LYS  13  27.458   6.175   2.906
  101   1HZ   LYS  13           HZ3      LYS  13  29.249   4.197   4.187
  102   2HZ   LYS  13           HZ2      LYS  13  27.910   4.849   5.006
  103   3HZ   LYS  13           HZ1      LYS  13  27.685   3.956   3.578
  104    H    CYS  14           HN       CYS  14  31.016   5.440  -2.105
  105    HA   CYS  14           HA       CYS  14  30.660   4.805  -4.974
  106   1HB   CYS  14           HB2      CYS  14  32.993   5.540  -5.114
  107   2HB   CYS  14           HB1      CYS  14  32.078   6.690  -4.136
  108    H    ASN  15           HN       ASN  15  30.863   2.915  -2.304
  109    HA   ASN  15           HA       ASN  15  32.551   0.884  -3.703
  110   1HB   ASN  15           HB2      ASN  15  32.309   1.783  -0.846
  111   2HB   ASN  15           HB1      ASN  15  32.835   0.129  -1.188
  112   1HD2  ASN  15          HD22      ASN  15  35.471   3.115  -1.645
  113   2HD2  ASN  15          HD21      ASN  15  34.003   3.279  -0.805
  114    H    THR  16           HN       THR  16  31.183  -0.474  -0.960
  115    HA   THR  16           HA       THR  16  28.623  -1.093  -2.367
  116    HB   THR  16           HB       THR  16  29.731  -3.517  -1.343
  117    HG1  THR  16           HG1      THR  16  31.330  -2.176  -3.262
  118   1HG2  THR  16          HG22      THR  16  28.151  -2.648  -3.410
  119   2HG2  THR  16          HG21      THR  16  29.639  -3.081  -4.253
  120   3HG2  THR  16          HG23      THR  16  28.801  -4.281  -3.270
  121    H    CYS  17           HN       CYS  17  26.977  -1.121  -0.969
  122    HA   CYS  17           HA       CYS  17  27.560  -1.421   1.929
  123   1HB   CYS  17           HB2      CYS  17  25.293  -0.110   0.462
  124   2HB   CYS  17           HB1      CYS  17  25.461  -0.188   2.218
  125    H    ARG  18           HN       ARG  18  25.485  -2.105   3.130
  126    HA   ARG  18           HA       ARG  18  24.029  -4.317   1.771
  127   1HB   ARG  18           HB2      ARG  18  26.022  -5.267   2.889
  128   2HB   ARG  18           HB1      ARG  18  25.571  -4.459   4.391
  129   1HG   ARG  18           HG2      ARG  18  23.326  -5.731   4.165
  130   2HG   ARG  18           HG1      ARG  18  24.177  -6.744   2.999
  131   1HD   ARG  18           HD2      ARG  18  25.645  -6.271   5.530
  132   2HD   ARG  18           HD1      ARG  18  24.172  -7.251   5.677
  133    HE   ARG  18           HE       ARG  18  26.503  -7.908   3.941
  134   1HH1  ARG  18          HH11      ARG  18  23.219  -8.463   3.928
  135   2HH1  ARG  18          HH12      ARG  18  23.319 -10.189   4.038
  136   1HH2  ARG  18          HH21      ARG  18  26.729 -10.218   4.663
  137   2HH2  ARG  18          HH22      ARG  18  25.306 -11.182   4.454
  138    H    CYS  19           HN       CYS  19  22.160  -2.906   1.906
  139    HA   CYS  19           HA       CYS  19  21.367  -1.379   4.128
  140   1HB   CYS  19           HB2      CYS  19  20.505  -1.489   1.742
  141   2HB   CYS  19           HB1      CYS  19  19.528  -2.878   2.255
  142    H    GLY  20           HN       GLY  20  20.573  -1.859   6.101
  143   1HA   GLY  20           HA2      GLY  20  20.423  -4.676   6.898
  144   2HA   GLY  20           HA1      GLY  20  20.239  -3.288   7.965
  145    H    ALA  21           HN       ALA  21  18.538  -5.230   8.489
  146    HA   ALA  21           HA       ALA  21  16.147  -5.616   7.114
  147   1HB   ALA  21           HB1      ALA  21  16.663  -5.185  10.074
  148   2HB   ALA  21           HB3      ALA  21  15.203  -5.926   9.416
  149   3HB   ALA  21           HB2      ALA  21  16.765  -6.717   9.206
  150    H    ASP  22           HN       ASP  22  17.287  -2.705   8.646
  151    HA   ASP  22           HA       ASP  22  14.600  -1.437   8.500
  152   1HB   ASP  22           HB2      ASP  22  16.362  -1.321  10.435
  153   2HB   ASP  22           HB1      ASP  22  17.176  -0.150   9.396
  154    H    GLY  23           HN       GLY  23  14.165   0.204   6.989
  155   1HA   GLY  23           HA2      GLY  23  16.020   0.404   4.721
  156   2HA   GLY  23           HA1      GLY  23  14.414   1.128   4.813
  157    H    LYS  24           HN       LYS  24  17.306   1.465   6.906
  158    HA   LYS  24           HA       LYS  24  17.605   4.288   6.109
  159   1HB   LYS  24           HB2      LYS  24  16.729   3.406   8.877
  160   2HB   LYS  24           HB1      LYS  24  17.203   5.051   8.453
  161   1HG   LYS  24           HG2      LYS  24  15.395   4.983   6.663
  162   2HG   LYS  24           HG1      LYS  24  14.834   3.486   7.409
  163   1HD   LYS  24           HD2      LYS  24  13.579   5.410   8.293
  164   2HD   LYS  24           HD1      LYS  24  14.554   4.672   9.563
  165   1HE   LYS  24           HE2      LYS  24  15.946   6.495   9.736
  166   2HE   LYS  24           HE1      LYS  24  15.863   6.845   7.998
  167   1HZ   LYS  24           HZ2      LYS  24  13.390   7.055   9.541
  168   2HZ   LYS  24           HZ1      LYS  24  14.540   8.286   9.758
  169   3HZ   LYS  24           HZ3      LYS  24  13.917   7.972   8.212
  170    H    SER  25           HN       SER  25  19.146   1.547   6.569
  171    HA   SER  25           HA       SER  25  21.594   2.923   7.286
  172   1HB   SER  25           HB2      SER  25  21.794   1.096   9.257
  173   2HB   SER  25           HB1      SER  25  21.091   2.686   9.526
  174    HG   SER  25           HG       SER  25  19.287   1.707   9.933
  175    H    ALA  26           HN       ALA  26  23.457   1.250   7.331
  176    HA   ALA  26           HA       ALA  26  22.998  -1.419   6.333
  177   1HB   ALA  26           HB3      ALA  26  22.311   0.340   4.491
  178   2HB   ALA  26           HB2      ALA  26  24.051   0.426   4.217
  179   3HB   ALA  26           HB1      ALA  26  23.205  -1.106   4.042
  180    H    ALA  27           HN       ALA  27  24.956  -2.585   6.329
  181    HA   ALA  27           HA       ALA  27  27.359  -1.122   7.260
  182   1HB   ALA  27           HB2      ALA  27  26.401  -3.917   7.038
  183   2HB   ALA  27           HB1      ALA  27  28.136  -3.696   6.813
  184   3HB   ALA  27           HB3      ALA  27  27.366  -3.159   8.306
  185    H    CYS  28           HN       CYS  28  29.067  -0.635   5.865
  186    HA   CYS  28           HA       CYS  28  28.723  -1.598   3.068
  187   1HB   CYS  28           HB2      CYS  28  28.200   0.845   3.857
  188   2HB   CYS  28           HB1      CYS  28  29.937   1.040   3.754
  189    H    THR  29           HN       THR  29  30.862  -0.826   1.822
  190    HA   THR  29           HA       THR  29  33.273  -1.561   3.387
  191    HB   THR  29           HB       THR  29  31.876  -3.453   2.016
  192    HG1  THR  29           HG1      THR  29  33.708  -4.622   2.190
  193   1HG2  THR  29          HG23      THR  29  32.343  -2.050  -0.103
  194   2HG2  THR  29          HG22      THR  29  33.999  -2.640   0.035
  195   3HG2  THR  29          HG21      THR  29  32.672  -3.781  -0.183
  196    H    LEU  30           HN       LEU  30  35.227  -1.044   2.102
  197    HA   LEU  30           HA       LEU  30  34.702   1.284   0.307
  198   1HB   LEU  30           HB2      LEU  30  37.019   0.625   2.150
  199   2HB   LEU  30           HB1      LEU  30  36.856   2.107   1.207
  200    HG   LEU  30           HG       LEU  30  36.049   2.683   3.361
  201   1HD1  LEU  30          HD12      LEU  30  34.516   3.187   1.362
  202   2HD1  LEU  30          HD11      LEU  30  33.509   1.863   1.951
  203   3HD1  LEU  30          HD13      LEU  30  33.786   3.280   2.964
  204   1HD2  LEU  30          HD21      LEU  30  35.666  -0.004   3.715
  205   2HD2  LEU  30          HD23      LEU  30  35.087   1.236   4.828
  206   3HD2  LEU  30          HD22      LEU  30  34.003   0.573   3.605
  207    H    LYS  31           HN       LYS  31  36.568   1.730  -1.180
  208    HA   LYS  31           HA       LYS  31  38.547  -0.004  -2.083
  209   1HB   LYS  31           HB2      LYS  31  35.825  -0.971  -2.524
  210   2HB   LYS  31           HB1      LYS  31  36.700  -0.803  -4.047
  211   1HG   LYS  31           HG2      LYS  31  38.266  -2.403  -3.487
  212   2HG   LYS  31           HG1      LYS  31  38.135  -2.076  -1.758
  213   1HD   LYS  31           HD2      LYS  31  36.046  -3.250  -1.607
  214   2HD   LYS  31           HD1      LYS  31  35.918  -3.370  -3.363
  215   1HE   LYS  31           HE2      LYS  31  38.388  -4.514  -2.151
  216   2HE   LYS  31           HE1      LYS  31  36.877  -5.399  -1.864
  217   1HZ   LYS  31           HZ1      LYS  31  36.475  -4.916  -4.357
  218   2HZ   LYS  31           HZ3      LYS  31  38.157  -4.706  -4.425
  219   3HZ   LYS  31           HZ2      LYS  31  37.508  -6.193  -3.921
  220    H    ALA  32           HN       ALA  32  38.759   0.328  -4.686
  221    HA   ALA  32           HA       ALA  32  39.132   3.015  -5.263
  222   1HB   ALA  32           HB1      ALA  32  38.176   0.818  -7.127
  223   2HB   ALA  32           HB3      ALA  32  38.983   2.302  -7.632
  224   3HB   ALA  32           HB2      ALA  32  39.852   1.115  -6.661
  225    H    CYS  33           HN       CYS  33  37.856   4.659  -6.216
  226    HA   CYS  33           HA       CYS  33  34.918   4.139  -6.439
  227   1HB   CYS  33           HB2      CYS  33  36.381   6.363  -4.979
  228   2HB   CYS  33           HB1      CYS  33  34.643   6.363  -5.267
  229    HA   PRO  34           HA       PRO  34  35.639   6.092 -10.346
  230   1HB   PRO  34           HB2      PRO  34  33.006   6.630 -10.935
  231   2HB   PRO  34           HB1      PRO  34  33.743   5.023 -11.109
  232   1HG   PRO  34           HG2      PRO  34  32.104   6.113  -8.858
  233   2HG   PRO  34           HG1      PRO  34  32.004   4.534  -9.657
  234   1HD   PRO  34           HD2      PRO  34  33.234   4.806  -7.299
  235   2HD   PRO  34           HD1      PRO  34  33.869   3.702  -8.543
  236    H    ASN  35           HN       ASN  35  36.050   8.212 -10.908
  237    HA   ASN  35           HA       ASN  35  35.090  10.330  -9.039
  238   1HB   ASN  35           HB2      ASN  35  37.007  11.570  -9.929
  239   2HB   ASN  35           HB1      ASN  35  37.528   9.950  -9.463
  240   1HD2  ASN  35          HD22      ASN  35  38.521   9.081 -12.726
  241   2HD2  ASN  35          HD21      ASN  35  38.493   8.675 -11.079
  242    H    GLN  36           HN       GLN  36  34.203  12.308  -9.934
  243    HA   GLN  36           HA       GLN  36  33.339  12.149 -12.798
  244   1HB   GLN  36           HB2      GLN  36  31.771  11.756 -10.473
  245   2HB   GLN  36           HB1      GLN  36  31.342  13.354 -11.088
  246   1HG   GLN  36           HG2      GLN  36  30.600  12.515 -13.138
  247   2HG   GLN  36           HG1      GLN  36  31.554  11.038 -12.991
  248   1HE2  GLN  36          HE22      GLN  36  28.631   9.386 -11.911
  249   2HE2  GLN  36          HE21      GLN  36  29.914   9.442 -13.022
   
  No H/Q in entry =         249
  Start of MODEL   11
    1   1H    GLU   1           HT1      GLU   1  22.466  10.797   5.702
    2   2H    GLU   1           HT3      GLU   1  22.186  11.479   7.230
    3   3H    GLU   1           HT2      GLU   1  23.218  10.138   7.076
    4    HA   GLU   1           HA       GLU   1  21.236   9.216   7.885
    5   1HB   GLU   1           HB2      GLU   1  19.072   9.992   7.024
    6   2HB   GLU   1           HB1      GLU   1  20.039  11.378   7.528
    7   1HG   GLU   1           HG2      GLU   1  20.626  10.722   4.778
    8   2HG   GLU   1           HG1      GLU   1  18.889  10.937   4.987
    9    H    ILE   2           HN       ILE   2  20.089   7.373   6.932
   10    HA   ILE   2           HA       ILE   2  20.869   6.764   4.096
   11    HB   ILE   2           HB       ILE   2  21.120   5.163   6.632
   12   1HG1  ILE   2          HG12      ILE   2  22.975   6.065   4.429
   13   2HG1  ILE   2          HG11      ILE   2  23.121   6.348   6.163
   14   1HG2  ILE   2          HG23      ILE   2  21.149   4.112   3.801
   15   2HG2  ILE   2          HG22      ILE   2  21.677   3.198   5.210
   16   3HG2  ILE   2          HG21      ILE   2  19.994   3.697   5.068
   17   1HD1  ILE   2          HD12      ILE   2  23.268   3.741   6.323
   18   2HD1  ILE   2          HD11      ILE   2  23.674   3.831   4.609
   19   3HD1  ILE   2          HD13      ILE   2  24.690   4.643   5.801
   20    H    SER   3           HN       SER   3  19.567   4.864   3.290
   21    HA   SER   3           HA       SER   3  17.176   3.991   4.543
   22   1HB   SER   3           HB2      SER   3  15.877   5.500   2.613
   23   2HB   SER   3           HB1      SER   3  15.986   5.922   4.320
   24    HG   SER   3           HG       SER   3  17.831   6.651   2.281
   25    H    CYS   4           HN       CYS   4  16.179   2.360   3.292
   26    HA   CYS   4           HA       CYS   4  16.284   2.067   0.475
   27   1HB   CYS   4           HB2      CYS   4  18.158   0.303   0.453
   28   2HB   CYS   4           HB1      CYS   4  18.657   1.983   0.599
   29    H    GLU   5           HN       GLU   5  16.108  -0.406  -0.113
   30    HA   GLU   5           HA       GLU   5  13.943  -1.531   1.425
   31   1HB   GLU   5           HB2      GLU   5  14.456  -3.520  -0.119
   32   2HB   GLU   5           HB1      GLU   5  14.106  -1.990  -0.921
   33   1HG   GLU   5           HG2      GLU   5  16.356  -1.623  -1.486
   34   2HG   GLU   5           HG1      GLU   5  16.946  -2.730  -0.247
   35    HA   PRO   6           HA       PRO   6  16.788  -3.070   4.551
   36   1HB   PRO   6           HB2      PRO   6  14.802  -4.047   6.176
   37   2HB   PRO   6           HB1      PRO   6  15.312  -2.346   6.159
   38   1HG   PRO   6           HG2      PRO   6  12.997  -3.642   4.782
   39   2HG   PRO   6           HG1      PRO   6  13.065  -2.104   5.665
   40   1HD   PRO   6           HD2      PRO   6  13.121  -2.172   2.986
   41   2HD   PRO   6           HD1      PRO   6  14.076  -0.984   3.904
   42    H    GLY   7           HN       GLY   7  17.787  -5.025   4.443
   43   1HA   GLY   7           HA2      GLY   7  17.632  -7.476   4.694
   44   2HA   GLY   7           HA1      GLY   7  16.126  -7.418   3.779
   45    H    LYS   8           HN       LYS   8  17.557  -5.343   1.973
   46    HA   LYS   8           HA       LYS   8  18.853  -7.418   0.259
   47   1HB   LYS   8           HB2      LYS   8  17.833  -4.661  -0.460
   48   2HB   LYS   8           HB1      LYS   8  18.237  -5.970  -1.571
   49   1HG   LYS   8           HG2      LYS   8  15.986  -5.962   0.463
   50   2HG   LYS   8           HG1      LYS   8  15.816  -5.898  -1.291
   51   1HD   LYS   8           HD2      LYS   8  17.439  -8.136  -0.800
   52   2HD   LYS   8           HD1      LYS   8  16.171  -8.211   0.423
   53   1HE   LYS   8           HE2      LYS   8  14.501  -8.532  -1.133
   54   2HE   LYS   8           HE1      LYS   8  15.318  -7.546  -2.361
   55   1HZ   LYS   8           HZ3      LYS   8  16.351 -10.159  -1.409
   56   2HZ   LYS   8           HZ2      LYS   8  15.383  -9.992  -2.795
   57   3HZ   LYS   8           HZ1      LYS   8  16.910  -9.250  -2.726
   58    H    THR   9           HN       THR   9  20.580  -6.439  -1.217
   59    HA   THR   9           HA       THR   9  22.385  -4.675   0.400
   60    HB   THR   9           HB       THR   9  23.194  -6.752  -1.639
   61    HG1  THR   9           HG1      THR   9  22.498  -8.158  -0.264
   62   1HG2  THR   9          HG22      THR   9  24.827  -4.998  -0.830
   63   2HG2  THR   9          HG21      THR   9  24.669  -5.698   0.780
   64   3HG2  THR   9          HG23      THR   9  25.325  -6.663  -0.539
   65    H    PHE  10           HN       PHE  10  23.861  -3.337  -0.933
   66    HA   PHE  10           HA       PHE  10  23.255  -3.028  -3.784
   67   1HB   PHE  10           HB2      PHE  10  22.530  -0.617  -3.420
   68   2HB   PHE  10           HB1      PHE  10  21.374  -1.844  -2.922
   69    HD1  PHE  10           HD1      PHE  10  24.153  -1.757  -0.649
   70    HD2  PHE  10           HD2      PHE  10  20.495   0.257  -1.648
   71    HE1  PHE  10           HE1      PHE  10  24.038  -0.823   1.623
   72    HE2  PHE  10           HE2      PHE  10  20.422   1.224   0.628
   73    HZ   PHE  10           HZ       PHE  10  22.217   0.685   2.251
   74    H    LYS  11           HN       LYS  11  24.228  -0.501  -4.174
   75    HA   LYS  11           HA       LYS  11  27.096  -0.842  -3.427
   76   1HB   LYS  11           HB2      LYS  11  26.439  -0.703  -5.800
   77   2HB   LYS  11           HB1      LYS  11  25.642   0.840  -5.502
   78   1HG   LYS  11           HG2      LYS  11  27.590   1.973  -5.615
   79   2HG   LYS  11           HG1      LYS  11  28.396   0.831  -4.541
   80   1HD   LYS  11           HD2      LYS  11  29.369   0.924  -6.870
   81   2HD   LYS  11           HD1      LYS  11  28.840  -0.683  -6.369
   82   1HE   LYS  11           HE2      LYS  11  27.366  -0.779  -8.087
   83   2HE   LYS  11           HE1      LYS  11  26.644   0.769  -7.602
   84   1HZ   LYS  11           HZ3      LYS  11  28.903   1.682  -8.521
   85   2HZ   LYS  11           HZ2      LYS  11  28.873   0.253  -9.439
   86   3HZ   LYS  11           HZ1      LYS  11  27.607   1.376  -9.570
   87    H    ASP  12           HN       ASP  12  24.935   1.952  -4.018
   88    HA   ASP  12           HA       ASP  12  24.796   4.038  -2.914
   89   1HB   ASP  12           HB2      ASP  12  24.272   2.073  -1.155
   90   2HB   ASP  12           HB1      ASP  12  25.747   2.696  -0.417
   91    H    LYS  13           HN       LYS  13  26.225   5.664  -1.693
   92    HA   LYS  13           HA       LYS  13  28.320   6.795  -1.706
   93   1HB   LYS  13           HB2      LYS  13  29.229   4.050  -0.788
   94   2HB   LYS  13           HB1      LYS  13  29.906   5.612  -0.324
   95   1HG   LYS  13           HG2      LYS  13  27.067   4.739   0.284
   96   2HG   LYS  13           HG1      LYS  13  28.406   4.633   1.429
   97   1HD   LYS  13           HD2      LYS  13  28.490   7.258   0.408
   98   2HD   LYS  13           HD1      LYS  13  26.789   6.931   0.734
   99   1HE   LYS  13           HE2      LYS  13  27.216   7.324   2.925
  100   2HE   LYS  13           HE1      LYS  13  28.219   5.861   2.933
  101   1HZ   LYS  13           HZ1      LYS  13  29.305   8.321   1.758
  102   2HZ   LYS  13           HZ3      LYS  13  29.280   8.180   3.447
  103   3HZ   LYS  13           HZ2      LYS  13  30.122   7.037   2.514
  104    H    CYS  14           HN       CYS  14  30.861   5.084  -2.036
  105    HA   CYS  14           HA       CYS  14  30.677   4.767  -5.014
  106   1HB   CYS  14           HB2      CYS  14  32.981   5.606  -5.065
  107   2HB   CYS  14           HB1      CYS  14  31.948   6.751  -4.206
  108    H    ASN  15           HN       ASN  15  30.711   2.866  -2.406
  109    HA   ASN  15           HA       ASN  15  32.657   0.959  -3.638
  110   1HB   ASN  15           HB2      ASN  15  32.227   1.880  -0.812
  111   2HB   ASN  15           HB1      ASN  15  32.874   0.260  -1.104
  112   1HD2  ASN  15          HD22      ASN  15  35.327   3.405  -1.500
  113   2HD2  ASN  15          HD21      ASN  15  33.816   3.488  -0.731
  114    H    THR  16           HN       THR  16  31.237  -0.413  -0.910
  115    HA   THR  16           HA       THR  16  28.838  -1.313  -2.455
  116    HB   THR  16           HB       THR  16  30.000  -3.576  -1.209
  117    HG1  THR  16           HG1      THR  16  31.973  -3.586  -2.416
  118   1HG2  THR  16          HG23      THR  16  28.641  -2.945  -3.489
  119   2HG2  THR  16          HG22      THR  16  30.254  -3.255  -4.131
  120   3HG2  THR  16          HG21      THR  16  29.419  -4.502  -3.204
  121    H    CYS  17           HN       CYS  17  27.123  -1.193  -1.132
  122    HA   CYS  17           HA       CYS  17  27.547  -1.537   1.798
  123   1HB   CYS  17           HB2      CYS  17  25.357  -0.078   0.350
  124   2HB   CYS  17           HB1      CYS  17  25.660  -0.070   2.086
  125    H    ARG  18           HN       ARG  18  25.390  -2.136   2.896
  126    HA   ARG  18           HA       ARG  18  23.835  -4.155   1.368
  127   1HB   ARG  18           HB2      ARG  18  25.837  -5.188   2.542
  128   2HB   ARG  18           HB1      ARG  18  25.136  -4.647   4.068
  129   1HG   ARG  18           HG2      ARG  18  22.983  -5.886   3.087
  130   2HG   ARG  18           HG1      ARG  18  24.215  -6.801   2.216
  131   1HD   ARG  18           HD2      ARG  18  25.026  -6.489   4.973
  132   2HD   ARG  18           HD1      ARG  18  23.399  -7.194   4.896
  133    HE   ARG  18           HE       ARG  18  24.432  -9.138   4.056
  134   1HH1  ARG  18          HH11      ARG  18  25.083  -8.879   1.463
  135   2HH1  ARG  18          HH12      ARG  18  26.793  -8.616   1.351
  136   1HH2  ARG  18          HH21      ARG  18  27.136  -7.696   4.676
  137   2HH2  ARG  18          HH22      ARG  18  27.954  -7.945   3.170
  138    H    CYS  19           HN       CYS  19  21.874  -2.987   1.587
  139    HA   CYS  19           HA       CYS  19  21.123  -1.342   3.744
  140   1HB   CYS  19           HB2      CYS  19  20.078  -1.662   1.462
  141   2HB   CYS  19           HB1      CYS  19  19.290  -3.110   2.101
  142    H    GLY  20           HN       GLY  20  20.563  -1.754   5.822
  143   1HA   GLY  20           HA2      GLY  20  20.532  -4.548   6.741
  144   2HA   GLY  20           HA1      GLY  20  20.481  -3.121   7.770
  145    H    ALA  21           HN       ALA  21  18.830  -5.150   8.436
  146    HA   ALA  21           HA       ALA  21  16.278  -5.425   7.349
  147   1HB   ALA  21           HB1      ALA  21  17.499  -6.346   9.506
  148   2HB   ALA  21           HB3      ALA  21  16.655  -5.017  10.303
  149   3HB   ALA  21           HB2      ALA  21  15.738  -6.269   9.465
  150    H    ASP  22           HN       ASP  22  17.672  -2.626   8.885
  151    HA   ASP  22           HA       ASP  22  15.052  -1.294   9.225
  152   1HB   ASP  22           HB2      ASP  22  17.166  -1.200  10.749
  153   2HB   ASP  22           HB1      ASP  22  17.795  -0.075   9.545
  154    H    GLY  23           HN       GLY  23  14.335   0.362   7.842
  155   1HA   GLY  23           HA2      GLY  23  15.652   0.516   5.222
  156   2HA   GLY  23           HA1      GLY  23  14.123   1.280   5.658
  157    H    LYS  24           HN       LYS  24  17.350   1.554   7.175
  158    HA   LYS  24           HA       LYS  24  17.671   4.307   6.215
  159   1HB   LYS  24           HB2      LYS  24  16.631   3.563   8.914
  160   2HB   LYS  24           HB1      LYS  24  17.750   4.922   8.816
  161   1HG   LYS  24           HG2      LYS  24  16.195   5.671   6.822
  162   2HG   LYS  24           HG1      LYS  24  15.013   4.636   7.623
  163   1HD   LYS  24           HD2      LYS  24  14.572   6.527   8.824
  164   2HD   LYS  24           HD1      LYS  24  15.974   6.007   9.760
  165   1HE   LYS  24           HE2      LYS  24  17.328   7.346   7.923
  166   2HE   LYS  24           HE1      LYS  24  15.780   8.188   7.706
  167   1HZ   LYS  24           HZ1      LYS  24  16.667   7.668  10.442
  168   2HZ   LYS  24           HZ3      LYS  24  17.480   8.887   9.589
  169   3HZ   LYS  24           HZ2      LYS  24  15.800   8.988   9.817
  170    H    SER  25           HN       SER  25  19.175   1.623   6.461
  171    HA   SER  25           HA       SER  25  21.707   2.898   7.023
  172   1HB   SER  25           HB2      SER  25  22.045   1.018   8.909
  173   2HB   SER  25           HB1      SER  25  21.362   2.596   9.292
  174    HG   SER  25           HG       SER  25  19.298   1.686   9.054
  175    H    ALA  26           HN       ALA  26  23.495   1.072   6.993
  176    HA   ALA  26           HA       ALA  26  22.868  -1.489   5.833
  177   1HB   ALA  26           HB2      ALA  26  22.342   0.530   4.128
  178   2HB   ALA  26           HB1      ALA  26  24.056   0.306   3.776
  179   3HB   ALA  26           HB3      ALA  26  22.932  -1.031   3.578
  180    H    ALA  27           HN       ALA  27  24.735  -2.736   6.136
  181    HA   ALA  27           HA       ALA  27  27.188  -1.428   7.032
  182   1HB   ALA  27           HB3      ALA  27  26.505  -4.266   6.224
  183   2HB   ALA  27           HB2      ALA  27  28.057  -3.786   6.913
  184   3HB   ALA  27           HB1      ALA  27  26.582  -3.622   7.865
  185    H    CYS  28           HN       CYS  28  28.926  -0.880   5.744
  186    HA   CYS  28           HA       CYS  28  28.779  -1.734   2.891
  187   1HB   CYS  28           HB2      CYS  28  28.003   0.624   3.614
  188   2HB   CYS  28           HB1      CYS  28  29.708   0.974   3.797
  189    H    THR  29           HN       THR  29  30.903  -0.950   1.772
  190    HA   THR  29           HA       THR  29  33.271  -1.506   3.478
  191    HB   THR  29           HB       THR  29  32.066  -3.454   2.003
  192    HG1  THR  29           HG1      THR  29  33.902  -4.521   2.355
  193   1HG2  THR  29          HG22      THR  29  32.673  -1.904  -0.041
  194   2HG2  THR  29          HG21      THR  29  34.273  -2.619   0.155
  195   3HG2  THR  29          HG23      THR  29  32.879  -3.652  -0.165
  196    H    LEU  30           HN       LEU  30  35.259  -0.833   2.300
  197    HA   LEU  30           HA       LEU  30  34.664   1.448   0.457
  198   1HB   LEU  30           HB2      LEU  30  37.012   1.128   2.337
  199   2HB   LEU  30           HB1      LEU  30  36.432   2.609   1.576
  200    HG   LEU  30           HG       LEU  30  34.649   1.028   3.430
  201   1HD1  LEU  30          HD11      LEU  30  36.840   2.974   4.118
  202   2HD1  LEU  30          HD13      LEU  30  35.420   2.796   5.149
  203   3HD1  LEU  30          HD12      LEU  30  36.477   1.414   4.858
  204   1HD2  LEU  30          HD21      LEU  30  34.788   3.860   2.384
  205   2HD2  LEU  30          HD23      LEU  30  33.473   2.697   2.212
  206   3HD2  LEU  30          HD22      LEU  30  33.800   3.432   3.781
  207    H    LYS  31           HN       LYS  31  36.382   1.999  -1.022
  208    HA   LYS  31           HA       LYS  31  38.672   0.462  -1.671
  209   1HB   LYS  31           HB2      LYS  31  36.531  -1.105  -2.027
  210   2HB   LYS  31           HB1      LYS  31  36.428  -0.221  -3.548
  211   1HG   LYS  31           HG2      LYS  31  38.193  -1.324  -4.418
  212   2HG   LYS  31           HG1      LYS  31  39.156  -1.071  -2.962
  213   1HD   LYS  31           HD2      LYS  31  37.882  -2.928  -1.862
  214   2HD   LYS  31           HD1      LYS  31  37.080  -3.234  -3.402
  215   1HE   LYS  31           HE2      LYS  31  38.838  -4.505  -4.043
  216   2HE   LYS  31           HE1      LYS  31  39.901  -3.090  -3.894
  217   1HZ   LYS  31           HZ3      LYS  31  39.607  -3.592  -1.361
  218   2HZ   LYS  31           HZ2      LYS  31  39.281  -5.166  -1.910
  219   3HZ   LYS  31           HZ1      LYS  31  40.769  -4.429  -2.269
  220    H    ALA  32           HN       ALA  32  39.136   0.908  -4.213
  221    HA   ALA  32           HA       ALA  32  39.306   3.639  -4.694
  222   1HB   ALA  32           HB2      ALA  32  40.005   1.394  -6.004
  223   2HB   ALA  32           HB1      ALA  32  38.639   1.880  -7.007
  224   3HB   ALA  32           HB3      ALA  32  40.006   2.973  -6.789
  225    H    CYS  33           HN       CYS  33  37.965   5.176  -5.743
  226    HA   CYS  33           HA       CYS  33  35.124   4.350  -6.217
  227   1HB   CYS  33           HB2      CYS  33  36.246   6.763  -4.755
  228   2HB   CYS  33           HB1      CYS  33  34.540   6.566  -5.157
  229    HA   PRO  34           HA       PRO  34  35.880   6.220 -10.149
  230   1HB   PRO  34           HB2      PRO  34  33.249   6.554 -10.881
  231   2HB   PRO  34           HB1      PRO  34  34.098   4.996 -10.948
  232   1HG   PRO  34           HG2      PRO  34  32.284   6.064  -8.825
  233   2HG   PRO  34           HG1      PRO  34  32.326   4.450  -9.559
  234   1HD   PRO  34           HD2      PRO  34  33.419   4.899  -7.161
  235   2HD   PRO  34           HD1      PRO  34  34.185   3.791  -8.327
  236    H    ASN  35           HN       ASN  35  36.515   8.319 -10.345
  237    HA   ASN  35           HA       ASN  35  34.830  10.575 -10.346
  238   1HB   ASN  35           HB2      ASN  35  35.273   9.500  -7.745
  239   2HB   ASN  35           HB1      ASN  35  36.160  11.022  -7.833
  240   1HD2  ASN  35          HD21      ASN  35  33.133   9.779  -7.109
  241   2HD2  ASN  35          HD22      ASN  35  32.199  11.166  -7.396
  242    H    GLN  36           HN       GLN  36  36.845  10.138 -12.000
  243    HA   GLN  36           HA       GLN  36  39.358  11.347 -11.016
  244   1HB   GLN  36           HB2      GLN  36  38.700   9.405 -12.841
  245   2HB   GLN  36           HB1      GLN  36  38.974  10.796 -13.893
  246   1HG   GLN  36           HG2      GLN  36  41.201  10.660 -13.595
  247   2HG   GLN  36           HG1      GLN  36  41.012  10.668 -11.842
  248   1HE2  GLN  36          HE22      GLN  36  40.770   7.013 -11.716
  249   2HE2  GLN  36          HE21      GLN  36  39.973   8.368 -11.074
   
  No H/Q in entry =         249
  Start of MODEL   12
    1   1H    GLU   1           HT2      GLU   1  18.713   9.753   6.668
    2   2H    GLU   1           HT1      GLU   1  19.027  10.749   8.008
    3   3H    GLU   1           HT3      GLU   1  19.326  11.321   6.439
    4    HA   GLU   1           HA       GLU   1  21.453  10.747   7.009
    5   1HB   GLU   1           HB2      GLU   1  19.964   8.767   8.741
    6   2HB   GLU   1           HB1      GLU   1  21.717   8.689   8.557
    7   1HG   GLU   1           HG2      GLU   1  20.465  11.326   9.231
    8   2HG   GLU   1           HG1      GLU   1  20.633  10.119  10.508
    9    H    ILE   2           HN       ILE   2  19.675   7.635   6.933
   10    HA   ILE   2           HA       ILE   2  20.908   7.064   4.264
   11    HB   ILE   2           HB       ILE   2  21.041   5.513   6.836
   12   1HG1  ILE   2          HG12      ILE   2  22.983   6.631   4.833
   13   2HG1  ILE   2          HG11      ILE   2  22.989   6.798   6.586
   14   1HG2  ILE   2          HG21      ILE   2  21.448   4.414   4.052
   15   2HG2  ILE   2          HG23      ILE   2  21.883   3.575   5.537
   16   3HG2  ILE   2          HG22      ILE   2  20.193   3.934   5.195
   17   1HD1  ILE   2          HD11      ILE   2  23.253   4.096   6.346
   18   2HD1  ILE   2          HD13      ILE   2  24.091   4.632   4.891
   19   3HD1  ILE   2          HD12      ILE   2  24.620   5.201   6.474
   20    H    SER   3           HN       SER   3  19.901   5.051   3.346
   21    HA   SER   3           HA       SER   3  17.468   3.958   4.314
   22   1HB   SER   3           HB2      SER   3  16.305   5.316   2.184
   23   2HB   SER   3           HB1      SER   3  16.129   5.754   3.881
   24    HG   SER   3           HG       SER   3  16.896   7.506   2.644
   25    H    CYS   4           HN       CYS   4  16.625   2.356   2.811
   26    HA   CYS   4           HA       CYS   4  17.331   2.031   0.095
   27   1HB   CYS   4           HB2      CYS   4  19.221   0.296   0.531
   28   2HB   CYS   4           HB1      CYS   4  19.631   2.003   0.640
   29    H    GLU   5           HN       GLU   5  17.331  -0.457  -0.493
   30    HA   GLU   5           HA       GLU   5  14.926  -1.638   0.467
   31   1HB   GLU   5           HB2      GLU   5  17.227  -2.305  -1.245
   32   2HB   GLU   5           HB1      GLU   5  16.471  -3.717  -0.505
   33   1HG   GLU   5           HG2      GLU   5  14.851  -3.597  -2.063
   34   2HG   GLU   5           HG1      GLU   5  14.348  -2.061  -1.356
   35    HA   PRO   6           HA       PRO   6  16.737  -2.747   4.441
   36   1HB   PRO   6           HB2      PRO   6  14.357  -3.622   5.502
   37   2HB   PRO   6           HB1      PRO   6  14.849  -1.917   5.459
   38   1HG   PRO   6           HG2      PRO   6  13.040  -3.413   3.613
   39   2HG   PRO   6           HG1      PRO   6  12.853  -1.791   4.308
   40   1HD   PRO   6           HD2      PRO   6  13.691  -2.144   1.784
   41   2HD   PRO   6           HD1      PRO   6  14.321  -0.829   2.801
   42    H    GLY   7           HN       GLY   7  17.825  -4.647   4.637
   43   1HA   GLY   7           HA2      GLY   7  17.841  -7.032   5.071
   44   2HA   GLY   7           HA1      GLY   7  16.358  -7.182   4.130
   45    H    LYS   8           HN       LYS   8  17.733  -5.301   2.074
   46    HA   LYS   8           HA       LYS   8  19.166  -7.528   0.688
   47   1HB   LYS   8           HB2      LYS   8  18.151  -4.953  -0.516
   48   2HB   LYS   8           HB1      LYS   8  18.437  -6.496  -1.319
   49   1HG   LYS   8           HG2      LYS   8  16.618  -7.463   0.197
   50   2HG   LYS   8           HG1      LYS   8  16.220  -5.796   0.615
   51   1HD   LYS   8           HD2      LYS   8  15.539  -5.274  -1.570
   52   2HD   LYS   8           HD1      LYS   8  16.427  -6.629  -2.270
   53   1HE   LYS   8           HE2      LYS   8  14.080  -7.230  -2.294
   54   2HE   LYS   8           HE1      LYS   8  14.834  -8.170  -0.990
   55   1HZ   LYS   8           HZ1      LYS   8  14.299  -6.118   0.434
   56   2HZ   LYS   8           HZ3      LYS   8  13.194  -5.722  -0.791
   57   3HZ   LYS   8           HZ2      LYS   8  13.030  -7.185   0.058
   58    H    THR   9           HN       THR   9  20.881  -6.670  -0.895
   59    HA   THR   9           HA       THR   9  22.683  -4.811   0.590
   60    HB   THR   9           HB       THR   9  23.327  -6.666  -1.717
   61    HG1  THR   9           HG1      THR   9  22.904  -7.169   0.999
   62   1HG2  THR   9          HG21      THR   9  24.974  -5.476   0.533
   63   2HG2  THR   9          HG23      THR   9  25.582  -6.606  -0.677
   64   3HG2  THR   9          HG22      THR   9  25.035  -5.001  -1.165
   65    H    PHE  10           HN       PHE  10  24.080  -3.407  -0.946
   66    HA   PHE  10           HA       PHE  10  23.029  -2.829  -3.575
   67   1HB   PHE  10           HB2      PHE  10  22.075  -0.619  -3.001
   68   2HB   PHE  10           HB1      PHE  10  21.206  -1.936  -2.234
   69    HD1  PHE  10           HD2      PHE  10  23.077  -2.467   0.164
   70    HD2  PHE  10           HD1      PHE  10  21.638   1.179  -1.599
   71    HE1  PHE  10           HE2      PHE  10  23.359  -1.322   2.304
   72    HE2  PHE  10           HE1      PHE  10  21.892   2.311   0.581
   73    HZ   PHE  10           HZ       PHE  10  22.769   1.073   2.536
   74    H    LYS  11           HN       LYS  11  23.864  -0.223  -3.878
   75    HA   LYS  11           HA       LYS  11  26.800  -0.557  -3.436
   76   1HB   LYS  11           HB2      LYS  11  25.443  -0.149  -5.687
   77   2HB   LYS  11           HB1      LYS  11  25.567   1.539  -5.189
   78   1HG   LYS  11           HG2      LYS  11  27.790   1.628  -5.627
   79   2HG   LYS  11           HG1      LYS  11  28.082   0.042  -4.913
   80   1HD   LYS  11           HD2      LYS  11  26.993  -0.951  -6.999
   81   2HD   LYS  11           HD1      LYS  11  27.101   0.662  -7.706
   82   1HE   LYS  11           HE2      LYS  11  29.500   0.666  -7.567
   83   2HE   LYS  11           HE1      LYS  11  29.503  -0.784  -6.544
   84   1HZ   LYS  11           HZ1      LYS  11  28.070  -0.960  -9.076
   85   2HZ   LYS  11           HZ3      LYS  11  29.762  -0.912  -9.175
   86   3HZ   LYS  11           HZ2      LYS  11  29.000  -2.133  -8.273
   87    H    ASP  12           HN       ASP  12  24.714   2.350  -3.744
   88    HA   ASP  12           HA       ASP  12  24.745   4.364  -2.503
   89   1HB   ASP  12           HB2      ASP  12  24.192   2.329  -0.859
   90   2HB   ASP  12           HB1      ASP  12  25.739   2.799  -0.156
   91    H    LYS  13           HN       LYS  13  26.297   5.807  -1.207
   92    HA   LYS  13           HA       LYS  13  28.429   6.860  -1.241
   93   1HB   LYS  13           HB2      LYS  13  29.054   3.994  -0.445
   94   2HB   LYS  13           HB1      LYS  13  30.097   5.382  -0.131
   95   1HG   LYS  13           HG2      LYS  13  28.919   5.915   1.707
   96   2HG   LYS  13           HG1      LYS  13  27.422   5.961   0.775
   97   1HD   LYS  13           HD2      LYS  13  26.914   3.732   1.220
   98   2HD   LYS  13           HD1      LYS  13  28.598   3.305   1.525
   99   1HE   LYS  13           HE2      LYS  13  28.379   3.747   3.738
  100   2HE   LYS  13           HE1      LYS  13  27.654   5.332   3.404
  101   1HZ   LYS  13           HZ1      LYS  13  26.011   3.047   2.714
  102   2HZ   LYS  13           HZ3      LYS  13  26.278   3.248   4.376
  103   3HZ   LYS  13           HZ2      LYS  13  25.579   4.505   3.472
  104    H    CYS  14           HN       CYS  14  30.858   4.978  -1.769
  105    HA   CYS  14           HA       CYS  14  30.598   4.967  -4.758
  106   1HB   CYS  14           HB2      CYS  14  32.901   5.732  -4.806
  107   2HB   CYS  14           HB1      CYS  14  32.001   6.779  -3.708
  108    H    ASN  15           HN       ASN  15  30.794   2.915  -2.163
  109    HA   ASN  15           HA       ASN  15  32.482   0.978  -3.696
  110   1HB   ASN  15           HB2      ASN  15  32.272   1.712  -0.792
  111   2HB   ASN  15           HB1      ASN  15  32.802   0.084  -1.231
  112   1HD2  ASN  15          HD22      ASN  15  35.426   3.091  -1.536
  113   2HD2  ASN  15          HD21      ASN  15  33.976   3.192  -0.658
  114    H    THR  16           HN       THR  16  31.149  -0.512  -0.988
  115    HA   THR  16           HA       THR  16  28.613  -1.174  -2.431
  116    HB   THR  16           HB       THR  16  29.732  -3.584  -1.432
  117    HG1  THR  16           HG1      THR  16  31.433  -2.456  -3.349
  118   1HG2  THR  16          HG22      THR  16  28.326  -2.637  -3.623
  119   2HG2  THR  16          HG21      THR  16  29.860  -3.155  -4.321
  120   3HG2  THR  16          HG23      THR  16  28.879  -4.296  -3.400
  121    H    CYS  17           HN       CYS  17  26.962  -1.202  -1.015
  122    HA   CYS  17           HA       CYS  17  27.570  -1.538   1.875
  123   1HB   CYS  17           HB2      CYS  17  25.289  -0.216   0.439
  124   2HB   CYS  17           HB1      CYS  17  25.455  -0.328   2.192
  125    H    ARG  18           HN       ARG  18  25.505  -2.201   3.088
  126    HA   ARG  18           HA       ARG  18  24.028  -4.429   1.781
  127   1HB   ARG  18           HB2      ARG  18  26.213  -5.061   3.094
  128   2HB   ARG  18           HB1      ARG  18  25.259  -4.685   4.529
  129   1HG   ARG  18           HG2      ARG  18  23.916  -6.519   4.285
  130   2HG   ARG  18           HG1      ARG  18  23.942  -6.430   2.523
  131   1HD   ARG  18           HD2      ARG  18  25.917  -7.654   2.353
  132   2HD   ARG  18           HD1      ARG  18  26.472  -7.173   3.968
  133    HE   ARG  18           HE       ARG  18  24.191  -8.565   4.550
  134   1HH1  ARG  18          HH11      ARG  18  24.678  -9.922   1.857
  135   2HH1  ARG  18          HH12      ARG  18  25.577 -11.319   2.347
  136   1HH2  ARG  18          HH21      ARG  18  26.318 -10.065   5.495
  137   2HH2  ARG  18          HH22      ARG  18  26.506 -11.400   4.408
  138    H    CYS  19           HN       CYS  19  22.141  -3.047   1.922
  139    HA   CYS  19           HA       CYS  19  21.427  -1.448   4.135
  140   1HB   CYS  19           HB2      CYS  19  20.529  -1.554   1.765
  141   2HB   CYS  19           HB1      CYS  19  19.525  -2.915   2.301
  142    H    GLY  20           HN       GLY  20  20.580  -1.859   6.101
  143   1HA   GLY  20           HA2      GLY  20  20.408  -4.646   6.982
  144   2HA   GLY  20           HA1      GLY  20  20.201  -3.225   7.999
  145    H    ALA  21           HN       ALA  21  18.497  -5.167   8.534
  146    HA   ALA  21           HA       ALA  21  16.134  -5.602   7.134
  147   1HB   ALA  21           HB1      ALA  21  16.918  -6.494   9.378
  148   2HB   ALA  21           HB3      ALA  21  16.344  -4.987  10.094
  149   3HB   ALA  21           HB2      ALA  21  15.204  -6.081   9.310
  150    H    ASP  22           HN       ASP  22  17.222  -2.632   8.601
  151    HA   ASP  22           HA       ASP  22  14.521  -1.406   8.305
  152   1HB   ASP  22           HB2      ASP  22  15.368   0.265   9.781
  153   2HB   ASP  22           HB1      ASP  22  16.042  -1.246  10.387
  154    H    GLY  23           HN       GLY  23  14.190   0.298   6.822
  155   1HA   GLY  23           HA2      GLY  23  16.158   0.477   4.647
  156   2HA   GLY  23           HA1      GLY  23  14.560   1.224   4.662
  157    H    LYS  24           HN       LYS  24  17.421   1.499   6.816
  158    HA   LYS  24           HA       LYS  24  17.722   4.342   6.091
  159   1HB   LYS  24           HB2      LYS  24  16.543   3.307   8.656
  160   2HB   LYS  24           HB1      LYS  24  17.463   4.812   8.668
  161   1HG   LYS  24           HG2      LYS  24  15.914   5.337   6.555
  162   2HG   LYS  24           HG1      LYS  24  14.841   4.204   7.379
  163   1HD   LYS  24           HD2      LYS  24  14.949   5.541   9.426
  164   2HD   LYS  24           HD1      LYS  24  16.091   6.649   8.665
  165   1HE   LYS  24           HE2      LYS  24  13.942   6.536   6.867
  166   2HE   LYS  24           HE1      LYS  24  13.187   6.614   8.471
  167   1HZ   LYS  24           HZ3      LYS  24  15.408   8.363   7.554
  168   2HZ   LYS  24           HZ2      LYS  24  13.775   8.828   7.609
  169   3HZ   LYS  24           HZ1      LYS  24  14.605   8.457   9.044
  170    H    SER  25           HN       SER  25  19.248   1.565   6.561
  171    HA   SER  25           HA       SER  25  21.709   2.929   7.245
  172   1HB   SER  25           HB2      SER  25  21.908   1.139   9.247
  173   2HB   SER  25           HB1      SER  25  21.216   2.740   9.492
  174    HG   SER  25           HG       SER  25  19.903   0.956  10.252
  175    H    ALA  26           HN       ALA  26  23.553   1.246   7.299
  176    HA   ALA  26           HA       ALA  26  23.060  -1.439   6.364
  177   1HB   ALA  26           HB1      ALA  26  22.359   0.266   4.486
  178   2HB   ALA  26           HB3      ALA  26  24.097   0.361   4.200
  179   3HB   ALA  26           HB2      ALA  26  23.263  -1.182   4.068
  180    H    ALA  27           HN       ALA  27  25.007  -2.621   6.374
  181    HA   ALA  27           HA       ALA  27  27.429  -1.156   7.245
  182   1HB   ALA  27           HB3      ALA  27  26.371  -3.709   7.623
  183   2HB   ALA  27           HB2      ALA  27  27.719  -3.972   6.517
  184   3HB   ALA  27           HB1      ALA  27  27.996  -3.191   8.073
  185    H    CYS  28           HN       CYS  28  29.142  -0.724   5.821
  186    HA   CYS  28           HA       CYS  28  28.724  -1.694   3.037
  187   1HB   CYS  28           HB2      CYS  28  28.270   0.765   3.834
  188   2HB   CYS  28           HB1      CYS  28  30.007   0.921   3.677
  189    H    THR  29           HN       THR  29  30.854  -0.939   1.754
  190    HA   THR  29           HA       THR  29  33.272  -1.770   3.266
  191    HB   THR  29           HB       THR  29  31.799  -3.546   1.789
  192    HG1  THR  29           HG1      THR  29  33.826  -4.693   1.640
  193   1HG2  THR  29          HG22      THR  29  32.316  -2.139  -0.269
  194   2HG2  THR  29          HG21      THR  29  33.996  -2.642  -0.081
  195   3HG2  THR  29          HG23      THR  29  32.744  -3.846  -0.388
  196    H    LEU  30           HN       LEU  30  35.226  -1.201   2.013
  197    HA   LEU  30           HA       LEU  30  34.716   1.208   0.324
  198   1HB   LEU  30           HB2      LEU  30  37.045   0.422   2.099
  199   2HB   LEU  30           HB1      LEU  30  36.894   1.952   1.235
  200    HG   LEU  30           HG       LEU  30  36.123   2.430   3.427
  201   1HD1  LEU  30          HD13      LEU  30  34.579   3.098   1.514
  202   2HD1  LEU  30          HD12      LEU  30  33.578   1.716   1.960
  203   3HD1  LEU  30          HD11      LEU  30  33.830   3.030   3.110
  204   1HD2  LEU  30          HD22      LEU  30  35.742  -0.246   3.691
  205   2HD2  LEU  30          HD21      LEU  30  35.109   0.942   4.830
  206   3HD2  LEU  30          HD23      LEU  30  34.070   0.300   3.558
  207    H    LYS  31           HN       LYS  31  36.518   1.696  -1.192
  208    HA   LYS  31           HA       LYS  31  38.485   0.028  -2.219
  209   1HB   LYS  31           HB2      LYS  31  35.743  -0.939  -2.655
  210   2HB   LYS  31           HB1      LYS  31  36.652  -0.782  -4.157
  211   1HG   LYS  31           HG2      LYS  31  38.242  -1.970  -2.010
  212   2HG   LYS  31           HG1      LYS  31  36.806  -2.920  -2.392
  213   1HD   LYS  31           HD2      LYS  31  37.456  -3.244  -4.624
  214   2HD   LYS  31           HD1      LYS  31  38.561  -1.870  -4.600
  215   1HE   LYS  31           HE2      LYS  31  39.241  -3.921  -2.605
  216   2HE   LYS  31           HE1      LYS  31  39.340  -4.499  -4.280
  217   1HZ   LYS  31           HZ3      LYS  31  40.335  -1.813  -3.760
  218   2HZ   LYS  31           HZ2      LYS  31  41.276  -3.090  -3.151
  219   3HZ   LYS  31           HZ1      LYS  31  40.931  -3.002  -4.811
  220    H    ALA  32           HN       ALA  32  38.442   0.378  -4.887
  221    HA   ALA  32           HA       ALA  32  38.896   3.047  -5.451
  222   1HB   ALA  32           HB3      ALA  32  39.197   0.971  -6.899
  223   2HB   ALA  32           HB2      ALA  32  37.494   1.130  -7.333
  224   3HB   ALA  32           HB1      ALA  32  38.635   2.407  -7.757
  225    H    CYS  33           HN       CYS  33  37.599   4.774  -6.321
  226    HA   CYS  33           HA       CYS  33  34.639   4.430  -6.243
  227   1HB   CYS  33           HB2      CYS  33  36.316   6.389  -4.647
  228   2HB   CYS  33           HB1      CYS  33  34.568   6.538  -4.832
  229    HA   PRO  34           HA       PRO  34  35.770   6.780  -9.958
  230   1HB   PRO  34           HB2      PRO  34  33.314   6.433 -11.147
  231   2HB   PRO  34           HB1      PRO  34  34.620   5.230 -11.223
  232   1HG   PRO  34           HG2      PRO  34  32.258   5.337  -9.394
  233   2HG   PRO  34           HG1      PRO  34  32.936   3.955 -10.275
  234   1HD   PRO  34           HD2      PRO  34  33.438   4.318  -7.670
  235   2HD   PRO  34           HD1      PRO  34  34.686   3.685  -8.769
  236    H    ASN  35           HN       ASN  35  35.839   8.824  -8.865
  237    HA   ASN  35           HA       ASN  35  33.206  10.261  -8.778
  238   1HB   ASN  35           HB2      ASN  35  34.294  11.466  -6.792
  239   2HB   ASN  35           HB1      ASN  35  33.851   9.779  -6.522
  240   1HD2  ASN  35          HD22      ASN  35  37.201   9.506  -5.315
  241   2HD2  ASN  35          HD21      ASN  35  35.575   9.647  -4.850
  242    H    GLN  36           HN       GLN  36  33.991  12.796  -8.366
  243    HA   GLN  36           HA       GLN  36  34.854  14.678  -9.509
  244   1HB   GLN  36           HB2      GLN  36  37.224  12.800  -9.773
  245   2HB   GLN  36           HB1      GLN  36  37.274  14.563  -9.766
  246   1HG   GLN  36           HG2      GLN  36  36.272  14.505  -7.453
  247   2HG   GLN  36           HG1      GLN  36  36.478  12.753  -7.471
  248   1HE2  GLN  36          HE22      GLN  36  39.735  13.203  -6.200
  249   2HE2  GLN  36          HE21      GLN  36  38.225  12.444  -6.037
   
  No H/Q in entry =         249
  Start of MODEL   13
    1   1H    GLU   1           HT3      GLU   1  17.754  10.368   7.025
    2   2H    GLU   1           HT2      GLU   1  18.548  11.258   8.236
    3   3H    GLU   1           HT1      GLU   1  18.920  11.524   6.600
    4    HA   GLU   1           HA       GLU   1  20.694  10.217   7.349
    5   1HB   GLU   1           HB2      GLU   1  18.775   9.621   9.298
    6   2HB   GLU   1           HB1      GLU   1  19.137   8.064   8.553
    7   1HG   GLU   1           HG2      GLU   1  20.748   8.276  10.276
    8   2HG   GLU   1           HG1      GLU   1  21.616   8.724   8.808
    9    H    ILE   2           HN       ILE   2  20.944   7.559   6.974
   10    HA   ILE   2           HA       ILE   2  20.459   7.129   4.198
   11    HB   ILE   2           HB       ILE   2  21.117   5.392   6.563
   12   1HG1  ILE   2          HG12      ILE   2  22.595   6.606   4.241
   13   2HG1  ILE   2          HG11      ILE   2  22.999   6.660   5.956
   14   1HG2  ILE   2          HG21      ILE   2  20.850   4.490   3.691
   15   2HG2  ILE   2          HG23      ILE   2  21.575   3.537   4.981
   16   3HG2  ILE   2          HG22      ILE   2  19.864   3.954   5.052
   17   1HD1  ILE   2          HD11      ILE   2  23.529   4.233   5.891
   18   2HD1  ILE   2          HD13      ILE   2  23.172   4.214   4.165
   19   3HD1  ILE   2          HD12      ILE   2  24.537   5.151   4.773
   20    H    SER   3           HN       SER   3  19.197   5.207   3.407
   21    HA   SER   3           HA       SER   3  17.008   4.102   4.836
   22   1HB   SER   3           HB2      SER   3  16.598   6.675   3.347
   23   2HB   SER   3           HB1      SER   3  15.293   5.492   3.339
   24    HG   SER   3           HG       SER   3  15.156   6.955   5.107
   25    H    CYS   4           HN       CYS   4  15.893   2.557   3.528
   26    HA   CYS   4           HA       CYS   4  15.837   2.390   0.719
   27   1HB   CYS   4           HB2      CYS   4  18.060   2.205   0.267
   28   2HB   CYS   4           HB1      CYS   4  18.433   1.971   1.954
   29    H    GLU   5           HN       GLU   5  15.819  -0.074   0.053
   30    HA   GLU   5           HA       GLU   5  13.772  -1.390   1.598
   31   1HB   GLU   5           HB2      GLU   5  15.667  -2.517  -0.491
   32   2HB   GLU   5           HB1      GLU   5  14.075  -3.148  -0.068
   33   1HG   GLU   5           HG2      GLU   5  13.749  -0.388  -0.676
   34   2HG   GLU   5           HG1      GLU   5  14.726  -1.097  -1.963
   35    HA   PRO   6           HA       PRO   6  16.800  -2.816   4.600
   36   1HB   PRO   6           HB2      PRO   6  14.924  -3.960   6.250
   37   2HB   PRO   6           HB1      PRO   6  15.325  -2.229   6.270
   38   1HG   PRO   6           HG2      PRO   6  13.059  -3.634   4.923
   39   2HG   PRO   6           HG1      PRO   6  13.056  -2.116   5.841
   40   1HD   PRO   6           HD2      PRO   6  13.040  -2.125   3.159
   41   2HD   PRO   6           HD1      PRO   6  13.937  -0.893   4.079
   42    H    GLY   7           HN       GLY   7  17.855  -4.761   4.636
   43   1HA   GLY   7           HA2      GLY   7  17.968  -7.170   4.671
   44   2HA   GLY   7           HA1      GLY   7  16.354  -7.230   3.963
   45    H    LYS   8           HN       LYS   8  17.764  -4.902   2.198
   46    HA   LYS   8           HA       LYS   8  18.600  -6.873   0.116
   47   1HB   LYS   8           HB2      LYS   8  18.078  -3.931  -0.276
   48   2HB   LYS   8           HB1      LYS   8  17.935  -5.239  -1.450
   49   1HG   LYS   8           HG2      LYS   8  16.199  -5.914   0.679
   50   2HG   LYS   8           HG1      LYS   8  15.924  -4.203   0.349
   51   1HD   LYS   8           HD2      LYS   8  14.975  -4.627  -1.666
   52   2HD   LYS   8           HD1      LYS   8  16.189  -5.838  -2.079
   53   1HE   LYS   8           HE2      LYS   8  14.670  -6.960   0.033
   54   2HE   LYS   8           HE1      LYS   8  13.503  -6.261  -1.108
   55   1HZ   LYS   8           HZ2      LYS   8  15.072  -7.274  -2.872
   56   2HZ   LYS   8           HZ1      LYS   8  15.600  -8.274  -1.604
   57   3HZ   LYS   8           HZ3      LYS   8  13.971  -8.293  -2.075
   58    H    THR   9           HN       THR   9  20.364  -6.033  -1.355
   59    HA   THR   9           HA       THR   9  22.486  -4.628   0.232
   60    HB   THR   9           HB       THR   9  22.944  -6.722  -1.888
   61    HG1  THR   9           HG1      THR   9  22.831  -7.287   0.866
   62   1HG2  THR   9          HG21      THR   9  24.591  -5.115  -0.212
   63   2HG2  THR   9          HG23      THR   9  24.761  -6.788   0.316
   64   3HG2  THR   9          HG22      THR   9  25.092  -6.354  -1.361
   65    H    PHE  10           HN       PHE  10  24.035  -3.424  -1.123
   66    HA   PHE  10           HA       PHE  10  23.487  -3.043  -3.958
   67   1HB   PHE  10           HB2      PHE  10  22.821  -0.604  -3.591
   68   2HB   PHE  10           HB1      PHE  10  21.610  -1.809  -3.176
   69    HD1  PHE  10           HD2      PHE  10  24.312  -1.803  -0.794
   70    HD2  PHE  10           HD1      PHE  10  20.698   0.247  -1.880
   71    HE1  PHE  10           HE2      PHE  10  24.132  -0.903   1.483
   72    HE2  PHE  10           HE1      PHE  10  20.556   1.179   0.407
   73    HZ   PHE  10           HZ       PHE  10  22.304   0.614   2.076
   74    H    LYS  11           HN       LYS  11  24.533  -0.525  -4.284
   75    HA   LYS  11           HA       LYS  11  27.362  -0.944  -3.427
   76   1HB   LYS  11           HB2      LYS  11  26.910  -0.784  -5.812
   77   2HB   LYS  11           HB1      LYS  11  25.989   0.700  -5.582
   78   1HG   LYS  11           HG2      LYS  11  27.854   1.981  -5.490
   79   2HG   LYS  11           HG1      LYS  11  28.706   0.823  -4.470
   80   1HD   LYS  11           HD2      LYS  11  29.808   1.034  -6.669
   81   2HD   LYS  11           HD1      LYS  11  29.156  -0.590  -6.445
   82   1HE   LYS  11           HE2      LYS  11  27.013   0.745  -7.575
   83   2HE   LYS  11           HE1      LYS  11  28.406   1.451  -8.421
   84   1HZ   LYS  11           HZ2      LYS  11  28.233  -1.457  -7.936
   85   2HZ   LYS  11           HZ1      LYS  11  27.479  -0.761  -9.290
   86   3HZ   LYS  11           HZ3      LYS  11  29.158  -0.625  -9.093
   87    H    ASP  12           HN       ASP  12  25.321   1.906  -4.127
   88    HA   ASP  12           HA       ASP  12  25.132   3.978  -3.010
   89   1HB   ASP  12           HB2      ASP  12  24.560   2.028  -1.244
   90   2HB   ASP  12           HB1      ASP  12  26.027   2.651  -0.484
   91    H    LYS  13           HN       LYS  13  26.543   5.708  -2.196
   92    HA   LYS  13           HA       LYS  13  28.652   6.791  -2.077
   93   1HB   LYS  13           HB2      LYS  13  29.435   4.088  -0.931
   94   2HB   LYS  13           HB1      LYS  13  30.215   5.637  -0.606
   95   1HG   LYS  13           HG2      LYS  13  27.779   6.343   0.149
   96   2HG   LYS  13           HG1      LYS  13  27.576   4.603   0.366
   97   1HD   LYS  13           HD2      LYS  13  28.490   4.987   2.416
   98   2HD   LYS  13           HD1      LYS  13  30.016   4.992   1.531
   99   1HE   LYS  13           HE2      LYS  13  29.063   7.589   1.182
  100   2HE   LYS  13           HE1      LYS  13  28.666   7.211   2.870
  101   1HZ   LYS  13           HZ2      LYS  13  31.039   6.117   2.764
  102   2HZ   LYS  13           HZ1      LYS  13  31.278   7.278   1.548
  103   3HZ   LYS  13           HZ3      LYS  13  30.850   7.769   3.113
  104    H    CYS  14           HN       CYS  14  31.174   4.992  -2.213
  105    HA   CYS  14           HA       CYS  14  31.056   4.485  -5.166
  106   1HB   CYS  14           HB2      CYS  14  33.226   5.445  -5.339
  107   2HB   CYS  14           HB1      CYS  14  32.329   6.532  -4.285
  108    H    ASN  15           HN       ASN  15  30.914   2.696  -2.550
  109    HA   ASN  15           HA       ASN  15  32.945   0.746  -3.543
  110   1HB   ASN  15           HB2      ASN  15  32.309   1.744  -0.769
  111   2HB   ASN  15           HB1      ASN  15  33.085   0.170  -1.004
  112   1HD2  ASN  15          HD22      ASN  15  35.425   3.360  -1.134
  113   2HD2  ASN  15          HD21      ASN  15  33.951   3.246  -0.296
  114    H    THR  16           HN       THR  16  31.420  -0.552  -0.877
  115    HA   THR  16           HA       THR  16  29.042  -1.437  -2.466
  116    HB   THR  16           HB       THR  16  30.106  -3.729  -1.224
  117    HG1  THR  16           HG1      THR  16  32.038  -2.807  -2.985
  118   1HG2  THR  16          HG22      THR  16  28.759  -3.429  -3.354
  119   2HG2  THR  16          HG21      THR  16  30.265  -2.956  -4.142
  120   3HG2  THR  16          HG23      THR  16  30.094  -4.575  -3.464
  121    H    CYS  17           HN       CYS  17  27.294  -1.296  -1.173
  122    HA   CYS  17           HA       CYS  17  27.667  -1.646   1.765
  123   1HB   CYS  17           HB2      CYS  17  25.511  -0.179   0.267
  124   2HB   CYS  17           HB1      CYS  17  25.748  -0.202   2.014
  125    H    ARG  18           HN       ARG  18  25.508  -2.237   2.836
  126    HA   ARG  18           HA       ARG  18  23.949  -4.256   1.309
  127   1HB   ARG  18           HB2      ARG  18  25.970  -5.239   2.550
  128   2HB   ARG  18           HB1      ARG  18  25.158  -4.762   4.042
  129   1HG   ARG  18           HG2      ARG  18  23.122  -6.038   2.769
  130   2HG   ARG  18           HG1      ARG  18  24.504  -6.948   2.155
  131   1HD   ARG  18           HD2      ARG  18  25.124  -6.737   4.832
  132   2HD   ARG  18           HD1      ARG  18  23.358  -6.915   4.867
  133    HE   ARG  18           HE       ARG  18  24.467  -8.747   2.958
  134   1HH1  ARG  18          HH11      ARG  18  23.732  -8.194   6.267
  135   2HH1  ARG  18          HH12      ARG  18  24.010  -9.835   6.745
  136   1HH2  ARG  18          HH21      ARG  18  25.025 -10.862   3.593
  137   2HH2  ARG  18          HH22      ARG  18  24.742 -11.347   5.231
  138    H    CYS  19           HN       CYS  19  22.075  -2.907   1.492
  139    HA   CYS  19           HA       CYS  19  21.249  -1.308   3.601
  140   1HB   CYS  19           HB2      CYS  19  20.326  -1.971   1.242
  141   2HB   CYS  19           HB1      CYS  19  19.350  -3.131   2.152
  142    H    GLY  20           HN       GLY  20  20.754  -1.719   5.721
  143   1HA   GLY  20           HA2      GLY  20  20.805  -4.483   6.683
  144   2HA   GLY  20           HA1      GLY  20  20.672  -3.042   7.684
  145    H    ALA  21           HN       ALA  21  19.146  -5.101   8.423
  146    HA   ALA  21           HA       ALA  21  16.594  -5.524   7.317
  147   1HB   ALA  21           HB3      ALA  21  18.010  -5.830   9.835
  148   2HB   ALA  21           HB2      ALA  21  16.318  -5.423  10.118
  149   3HB   ALA  21           HB1      ALA  21  16.736  -6.840   9.154
  150    H    ASP  22           HN       ASP  22  17.893  -2.695   8.819
  151    HA   ASP  22           HA       ASP  22  15.206  -1.513   9.272
  152   1HB   ASP  22           HB2      ASP  22  16.666   0.363  10.195
  153   2HB   ASP  22           HB1      ASP  22  16.846  -1.189  11.014
  154    H    GLY  23           HN       GLY  23  14.462   0.256   8.024
  155   1HA   GLY  23           HA2      GLY  23  15.733   0.542   5.388
  156   2HA   GLY  23           HA1      GLY  23  14.199   1.262   5.880
  157    H    LYS  24           HN       LYS  24  17.540   1.491   7.170
  158    HA   LYS  24           HA       LYS  24  17.679   4.338   6.476
  159   1HB   LYS  24           HB2      LYS  24  16.948   3.289   9.175
  160   2HB   LYS  24           HB1      LYS  24  18.004   4.701   9.104
  161   1HG   LYS  24           HG2      LYS  24  16.163   5.962   8.799
  162   2HG   LYS  24           HG1      LYS  24  15.987   5.203   7.215
  163   1HD   LYS  24           HD2      LYS  24  13.932   4.991   8.624
  164   2HD   LYS  24           HD1      LYS  24  14.615   3.430   8.165
  165   1HE   LYS  24           HE2      LYS  24  14.576   2.932  10.387
  166   2HE   LYS  24           HE1      LYS  24  15.933   4.064  10.551
  167   1HZ   LYS  24           HZ1      LYS  24  14.231   5.874  10.624
  168   2HZ   LYS  24           HZ3      LYS  24  13.038   4.678  10.762
  169   3HZ   LYS  24           HZ2      LYS  24  14.217   4.842  11.973
  170    H    SER  25           HN       SER  25  19.280   1.599   6.480
  171    HA   SER  25           HA       SER  25  21.813   2.955   6.722
  172   1HB   SER  25           HB2      SER  25  22.451   1.219   8.644
  173   2HB   SER  25           HB1      SER  25  21.691   2.759   9.031
  174    HG   SER  25           HG       SER  25  20.719   0.199   9.217
  175    H    ALA  26           HN       ALA  26  23.623   1.042   6.811
  176    HA   ALA  26           HA       ALA  26  22.931  -1.513   5.676
  177   1HB   ALA  26           HB2      ALA  26  22.289   0.200   3.886
  178   2HB   ALA  26           HB1      ALA  26  24.013   0.527   3.716
  179   3HB   ALA  26           HB3      ALA  26  23.380  -1.076   3.359
  180    H    ALA  27           HN       ALA  27  24.746  -2.794   6.087
  181    HA   ALA  27           HA       ALA  27  27.225  -1.574   6.992
  182   1HB   ALA  27           HB3      ALA  27  26.053  -4.227   6.653
  183   2HB   ALA  27           HB2      ALA  27  27.775  -4.197   6.267
  184   3HB   ALA  27           HB1      ALA  27  27.216  -3.664   7.853
  185    H    CYS  28           HN       CYS  28  28.979  -1.020   5.735
  186    HA   CYS  28           HA       CYS  28  28.877  -1.865   2.879
  187   1HB   CYS  28           HB2      CYS  28  28.145   0.510   3.632
  188   2HB   CYS  28           HB1      CYS  28  29.863   0.814   3.795
  189    H    THR  29           HN       THR  29  31.024  -1.096   1.803
  190    HA   THR  29           HA       THR  29  33.377  -1.666   3.524
  191    HB   THR  29           HB       THR  29  32.204  -3.636   2.074
  192    HG1  THR  29           HG1      THR  29  34.126  -4.657   2.268
  193   1HG2  THR  29          HG23      THR  29  32.699  -2.097   0.003
  194   2HG2  THR  29          HG22      THR  29  34.334  -2.738   0.161
  195   3HG2  THR  29          HG21      THR  29  32.980  -3.834  -0.115
  196    H    LEU  30           HN       LEU  30  35.376  -1.026   2.283
  197    HA   LEU  30           HA       LEU  30  34.725   1.329   0.569
  198   1HB   LEU  30           HB2      LEU  30  37.175   0.815   2.266
  199   2HB   LEU  30           HB1      LEU  30  36.640   2.356   1.592
  200    HG   LEU  30           HG       LEU  30  34.908   0.774   3.501
  201   1HD1  LEU  30          HD13      LEU  30  37.307   1.511   4.330
  202   2HD1  LEU  30          HD12      LEU  30  36.541   3.097   4.427
  203   3HD1  LEU  30          HD11      LEU  30  35.887   1.744   5.351
  204   1HD2  LEU  30          HD22      LEU  30  35.001   3.614   2.472
  205   2HD2  LEU  30          HD21      LEU  30  33.677   2.455   2.354
  206   3HD2  LEU  30          HD23      LEU  30  34.083   3.175   3.912
  207    H    LYS  31           HN       LYS  31  36.579   1.975  -0.840
  208    HA   LYS  31           HA       LYS  31  38.652   0.397  -1.825
  209   1HB   LYS  31           HB2      LYS  31  37.350  -1.426  -2.434
  210   2HB   LYS  31           HB1      LYS  31  35.898  -0.452  -2.634
  211   1HG   LYS  31           HG2      LYS  31  36.922   0.499  -4.737
  212   2HG   LYS  31           HG1      LYS  31  38.228  -0.675  -4.561
  213   1HD   LYS  31           HD2      LYS  31  35.276  -1.307  -4.865
  214   2HD   LYS  31           HD1      LYS  31  36.524  -1.548  -6.088
  215   1HE   LYS  31           HE2      LYS  31  36.686  -3.655  -5.225
  216   2HE   LYS  31           HE1      LYS  31  37.562  -2.885  -3.887
  217   1HZ   LYS  31           HZ1      LYS  31  34.609  -3.188  -4.048
  218   2HZ   LYS  31           HZ3      LYS  31  35.632  -4.155  -3.101
  219   3HZ   LYS  31           HZ2      LYS  31  35.476  -2.498  -2.761
  220    H    ALA  32           HN       ALA  32  39.016   1.039  -4.293
  221    HA   ALA  32           HA       ALA  32  39.060   3.855  -4.523
  222   1HB   ALA  32           HB2      ALA  32  39.267   1.513  -6.379
  223   2HB   ALA  32           HB1      ALA  32  39.182   3.130  -7.077
  224   3HB   ALA  32           HB3      ALA  32  40.485   2.719  -5.963
  225    H    CYS  33           HN       CYS  33  37.711   5.328  -5.672
  226    HA   CYS  33           HA       CYS  33  34.887   4.414  -6.012
  227   1HB   CYS  33           HB2      CYS  33  36.056   7.214  -5.902
  228   2HB   CYS  33           HB1      CYS  33  34.362   6.772  -5.703
  229    HA   PRO  34           HA       PRO  34  35.440   4.499 -10.390
  230   1HB   PRO  34           HB2      PRO  34  32.799   4.804 -11.094
  231   2HB   PRO  34           HB1      PRO  34  33.507   3.263 -10.562
  232   1HG   PRO  34           HG2      PRO  34  31.958   5.275  -8.983
  233   2HG   PRO  34           HG1      PRO  34  31.812   3.507  -9.003
  234   1HD   PRO  34           HD2      PRO  34  33.120   4.758  -7.037
  235   2HD   PRO  34           HD1      PRO  34  33.698   3.203  -7.677
  236    H    ASN  35           HN       ASN  35  36.507   6.427 -10.860
  237    HA   ASN  35           HA       ASN  35  36.781   8.749 -11.310
  238   1HB   ASN  35           HB2      ASN  35  34.646   7.448 -12.862
  239   2HB   ASN  35           HB1      ASN  35  34.554   9.210 -12.874
  240   1HD2  ASN  35          HD22      ASN  35  37.740   9.586 -14.538
  241   2HD2  ASN  35          HD21      ASN  35  36.742  10.338 -13.390
  242    H    GLN  36           HN       GLN  36  34.834  10.719 -11.804
  243    HA   GLN  36           HA       GLN  36  33.822  11.186  -9.043
  244   1HB   GLN  36           HB2      GLN  36  35.275  12.863 -10.066
  245   2HB   GLN  36           HB1      GLN  36  34.218  12.957 -11.476
  246   1HG   GLN  36           HG2      GLN  36  32.364  13.527  -9.708
  247   2HG   GLN  36           HG1      GLN  36  33.736  13.954  -8.684
  248   1HE2  GLN  36          HE22      GLN  36  33.639  17.149 -10.196
  249   2HE2  GLN  36          HE21      GLN  36  33.494  16.254  -8.761
   
  No H/Q in entry =         249
  Start of MODEL   14
    1   1H    GLU   1           HT3      GLU   1  17.917   8.730   7.933
    2   2H    GLU   1           HT2      GLU   1  18.100  10.197   8.770
    3   3H    GLU   1           HT1      GLU   1  17.150  10.131   7.363
    4    HA   GLU   1           HA       GLU   1  19.115  11.070   6.584
    5   1HB   GLU   1           HB2      GLU   1  20.175   9.305   8.754
    6   2HB   GLU   1           HB1      GLU   1  21.276   9.758   7.452
    7   1HG   GLU   1           HG2      GLU   1  21.624  11.634   8.689
    8   2HG   GLU   1           HG1      GLU   1  20.081  12.161   8.013
    9    H    ILE   2           HN       ILE   2  20.183   7.730   7.158
   10    HA   ILE   2           HA       ILE   2  20.516   7.261   4.291
   11    HB   ILE   2           HB       ILE   2  20.848   5.700   6.840
   12   1HG1  ILE   2          HG12      ILE   2  22.637   6.951   4.771
   13   2HG1  ILE   2          HG11      ILE   2  22.693   7.119   6.525
   14   1HG2  ILE   2          HG23      ILE   2  21.229   4.649   4.033
   15   2HG2  ILE   2          HG22      ILE   2  21.769   3.831   5.495
   16   3HG2  ILE   2          HG21      ILE   2  20.048   4.078   5.213
   17   1HD1  ILE   2          HD11      ILE   2  23.327   4.646   6.612
   18   2HD1  ILE   2          HD13      ILE   2  23.553   4.738   4.865
   19   3HD1  ILE   2          HD12      ILE   2  24.549   5.723   5.936
   20    H    SER   3           HN       SER   3  19.615   5.182   3.390
   21    HA   SER   3           HA       SER   3  17.287   3.933   4.432
   22   1HB   SER   3           HB2      SER   3  15.803   5.101   2.539
   23   2HB   SER   3           HB1      SER   3  16.003   5.853   4.119
   24    HG   SER   3           HG       SER   3  16.610   6.885   1.814
   25    H    CYS   4           HN       CYS   4  16.481   2.299   2.935
   26    HA   CYS   4           HA       CYS   4  17.144   2.018   0.204
   27   1HB   CYS   4           HB2      CYS   4  19.137   0.384   0.599
   28   2HB   CYS   4           HB1      CYS   4  19.452   2.112   0.691
   29    H    GLU   5           HN       GLU   5  17.223  -0.436  -0.419
   30    HA   GLU   5           HA       GLU   5  14.929  -1.771   0.583
   31   1HB   GLU   5           HB2      GLU   5  17.172  -2.232  -1.222
   32   2HB   GLU   5           HB1      GLU   5  16.703  -3.719  -0.395
   33   1HG   GLU   5           HG2      GLU   5  14.829  -3.893  -1.631
   34   2HG   GLU   5           HG1      GLU   5  14.357  -2.239  -1.236
   35    HA   PRO   6           HA       PRO   6  16.882  -2.778   4.522
   36   1HB   PRO   6           HB2      PRO   6  14.572  -3.756   5.644
   37   2HB   PRO   6           HB1      PRO   6  14.991  -2.032   5.595
   38   1HG   PRO   6           HG2      PRO   6  13.190  -3.597   3.803
   39   2HG   PRO   6           HG1      PRO   6  12.966  -1.980   4.498
   40   1HD   PRO   6           HD2      PRO   6  13.744  -2.322   1.946
   41   2HD   PRO   6           HD1      PRO   6  14.339  -0.970   2.936
   42    H    GLY   7           HN       GLY   7  18.060  -4.626   4.678
   43   1HA   GLY   7           HA2      GLY   7  18.220  -7.005   5.089
   44   2HA   GLY   7           HA1      GLY   7  16.697  -7.226   4.229
   45    H    LYS   8           HN       LYS   8  17.926  -5.254   2.136
   46    HA   LYS   8           HA       LYS   8  19.335  -7.422   0.636
   47   1HB   LYS   8           HB2      LYS   8  18.198  -4.840  -0.444
   48   2HB   LYS   8           HB1      LYS   8  18.507  -6.343  -1.314
   49   1HG   LYS   8           HG2      LYS   8  16.803  -7.231   0.618
   50   2HG   LYS   8           HG1      LYS   8  16.203  -5.588   0.386
   51   1HD   LYS   8           HD2      LYS   8  16.040  -5.990  -2.047
   52   2HD   LYS   8           HD1      LYS   8  16.627  -7.637  -1.810
   53   1HE   LYS   8           HE2      LYS   8  14.618  -7.792  -0.095
   54   2HE   LYS   8           HE1      LYS   8  13.968  -6.457  -1.068
   55   1HZ   LYS   8           HZ3      LYS   8  14.595  -7.838  -3.063
   56   2HZ   LYS   8           HZ2      LYS   8  14.819  -9.141  -1.997
   57   3HZ   LYS   8           HZ1      LYS   8  13.288  -8.422  -2.153
   58    H    THR   9           HN       THR   9  20.956  -6.479  -1.013
   59    HA   THR   9           HA       THR   9  22.786  -4.624   0.441
   60    HB   THR   9           HB       THR   9  23.424  -6.348  -1.955
   61    HG1  THR   9           HG1      THR   9  24.037  -7.919  -0.320
   62   1HG2  THR   9          HG23      THR   9  25.018  -5.312   0.404
   63   2HG2  THR   9          HG22      THR   9  25.656  -6.394  -0.834
   64   3HG2  THR   9          HG21      THR   9  25.138  -4.765  -1.268
   65    H    PHE  10           HN       PHE  10  24.031  -3.078  -1.031
   66    HA   PHE  10           HA       PHE  10  22.879  -2.492  -3.633
   67   1HB   PHE  10           HB2      PHE  10  21.916  -0.312  -2.963
   68   2HB   PHE  10           HB1      PHE  10  21.108  -1.660  -2.182
   69    HD1  PHE  10           HD1      PHE  10  22.980  -2.251   0.134
   70    HD2  PHE  10           HD2      PHE  10  21.659   1.483  -1.538
   71    HE1  PHE  10           HE1      PHE  10  23.357  -1.150   2.289
   72    HE2  PHE  10           HE2      PHE  10  22.020   2.568   0.651
   73    HZ   PHE  10           HZ       PHE  10  22.887   1.264   2.563
   74    H    LYS  11           HN       LYS  11  23.652   0.110  -3.948
   75    HA   LYS  11           HA       LYS  11  26.604  -0.175  -3.754
   76   1HB   LYS  11           HB2      LYS  11  25.598   0.332  -5.907
   77   2HB   LYS  11           HB1      LYS  11  24.736   1.712  -5.226
   78   1HG   LYS  11           HG2      LYS  11  26.543   2.847  -6.077
   79   2HG   LYS  11           HG1      LYS  11  27.240   2.397  -4.520
   80   1HD   LYS  11           HD2      LYS  11  28.041   0.251  -5.679
   81   2HD   LYS  11           HD1      LYS  11  27.644   1.057  -7.197
   82   1HE   LYS  11           HE2      LYS  11  29.282   2.617  -5.250
   83   2HE   LYS  11           HE1      LYS  11  30.084   1.276  -6.092
   84   1HZ   LYS  11           HZ1      LYS  11  29.028   2.163  -8.174
   85   2HZ   LYS  11           HZ3      LYS  11  28.620   3.557  -7.298
   86   3HZ   LYS  11           HZ2      LYS  11  30.252   3.140  -7.516
   87    H    ASP  12           HN       ASP  12  24.876   2.907  -3.784
   88    HA   ASP  12           HA       ASP  12  24.987   4.744  -2.297
   89   1HB   ASP  12           HB2      ASP  12  24.219   2.604  -0.880
   90   2HB   ASP  12           HB1      ASP  12  25.786   2.862  -0.111
   91    H    LYS  13           HN       LYS  13  26.654   6.140  -1.485
   92    HA   LYS  13           HA       LYS  13  28.884   6.893  -1.213
   93   1HB   LYS  13           HB2      LYS  13  29.387   3.955  -0.636
   94   2HB   LYS  13           HB1      LYS  13  30.329   5.328  -0.053
   95   1HG   LYS  13           HG2      LYS  13  27.398   4.927   0.596
   96   2HG   LYS  13           HG1      LYS  13  28.709   4.377   1.641
   97   1HD   LYS  13           HD2      LYS  13  29.519   6.634   1.929
   98   2HD   LYS  13           HD1      LYS  13  28.396   7.244   0.714
   99   1HE   LYS  13           HE2      LYS  13  27.152   7.733   2.604
  100   2HE   LYS  13           HE1      LYS  13  26.630   6.050   2.388
  101   1HZ   LYS  13           HZ1      LYS  13  29.162   6.506   3.771
  102   2HZ   LYS  13           HZ3      LYS  13  27.747   6.883   4.626
  103   3HZ   LYS  13           HZ2      LYS  13  27.984   5.309   4.032
  104    H    CYS  14           HN       CYS  14  31.195   5.016  -1.827
  105    HA   CYS  14           HA       CYS  14  30.884   5.004  -4.812
  106   1HB   CYS  14           HB2      CYS  14  33.276   5.581  -4.865
  107   2HB   CYS  14           HB1      CYS  14  32.381   6.760  -3.908
  108    H    ASN  15           HN       ASN  15  31.117   2.973  -2.181
  109    HA   ASN  15           HA       ASN  15  32.643   0.938  -3.753
  110   1HB   ASN  15           HB2      ASN  15  32.423   1.628  -0.832
  111   2HB   ASN  15           HB1      ASN  15  32.877  -0.012  -1.307
  112   1HD2  ASN  15          HD22      ASN  15  35.683   2.818  -1.429
  113   2HD2  ASN  15          HD21      ASN  15  34.236   2.946  -0.549
  114    H    THR  16           HN       THR  16  31.192  -0.524  -1.108
  115    HA   THR  16           HA       THR  16  28.599  -0.908  -2.540
  116    HB   THR  16           HB       THR  16  29.566  -3.451  -1.670
  117    HG1  THR  16           HG1      THR  16  31.492  -3.556  -2.577
  118   1HG2  THR  16          HG22      THR  16  29.055  -2.225  -4.393
  119   2HG2  THR  16          HG21      THR  16  29.238  -3.952  -4.088
  120   3HG2  THR  16          HG23      THR  16  27.876  -3.074  -3.393
  121    H    CYS  17           HN       CYS  17  26.944  -0.970  -1.113
  122    HA   CYS  17           HA       CYS  17  27.600  -1.386   1.752
  123   1HB   CYS  17           HB2      CYS  17  25.378   0.060   0.350
  124   2HB   CYS  17           HB1      CYS  17  25.450  -0.173   2.096
  125    H    ARG  18           HN       ARG  18  25.576  -2.067   3.005
  126    HA   ARG  18           HA       ARG  18  24.047  -4.240   1.669
  127   1HB   ARG  18           HB2      ARG  18  25.962  -5.343   2.651
  128   2HB   ARG  18           HB1      ARG  18  25.818  -4.391   4.130
  129   1HG   ARG  18           HG2      ARG  18  24.262  -5.785   4.996
  130   2HG   ARG  18           HG1      ARG  18  23.361  -5.844   3.481
  131   1HD   ARG  18           HD2      ARG  18  24.107  -8.006   3.381
  132   2HD   ARG  18           HD1      ARG  18  25.638  -7.280   2.853
  133    HE   ARG  18           HE       ARG  18  25.274  -7.341   5.765
  134   1HH1  ARG  18          HH11      ARG  18  27.924  -7.398   5.520
  135   2HH1  ARG  18          HH12      ARG  18  28.429  -9.031   5.236
  136   1HH2  ARG  18          HH21      ARG  18  25.276 -10.118   4.284
  137   2HH2  ARG  18          HH22      ARG  18  26.929 -10.571   4.536
  138    H    CYS  19           HN       CYS  19  22.184  -2.855   1.889
  139    HA   CYS  19           HA       CYS  19  21.511  -1.312   4.143
  140   1HB   CYS  19           HB2      CYS  19  20.562  -1.360   1.807
  141   2HB   CYS  19           HB1      CYS  19  19.602  -2.768   2.304
  142    H    GLY  20           HN       GLY  20  20.731  -1.774   6.135
  143   1HA   GLY  20           HA2      GLY  20  20.636  -4.574   6.967
  144   2HA   GLY  20           HA1      GLY  20  20.406  -3.177   8.011
  145    H    ALA  21           HN       ALA  21  18.777  -5.184   8.546
  146    HA   ALA  21           HA       ALA  21  16.394  -5.652   7.181
  147   1HB   ALA  21           HB1      ALA  21  17.432  -6.326   9.558
  148   2HB   ALA  21           HB3      ALA  21  16.296  -5.099  10.117
  149   3HB   ALA  21           HB2      ALA  21  15.708  -6.502   9.224
  150    H    ASP  22           HN       ASP  22  17.452  -2.709   8.711
  151    HA   ASP  22           HA       ASP  22  14.727  -1.517   8.551
  152   1HB   ASP  22           HB2      ASP  22  17.313  -0.288   9.543
  153   2HB   ASP  22           HB1      ASP  22  15.664   0.181   9.962
  154    H    GLY  23           HN       GLY  23  14.273   0.116   7.040
  155   1HA   GLY  23           HA2      GLY  23  16.164   0.386   4.811
  156   2HA   GLY  23           HA1      GLY  23  14.536   1.060   4.874
  157    H    LYS  24           HN       LYS  24  17.460   1.471   6.916
  158    HA   LYS  24           HA       LYS  24  17.600   4.323   6.189
  159   1HB   LYS  24           HB2      LYS  24  16.747   3.283   8.903
  160   2HB   LYS  24           HB1      LYS  24  17.322   4.931   8.652
  161   1HG   LYS  24           HG2      LYS  24  15.538   5.125   6.828
  162   2HG   LYS  24           HG1      LYS  24  14.870   3.621   7.464
  163   1HD   LYS  24           HD2      LYS  24  14.251   4.590   9.489
  164   2HD   LYS  24           HD1      LYS  24  15.457   5.872   9.360
  165   1HE   LYS  24           HE2      LYS  24  13.993   6.514   7.205
  166   2HE   LYS  24           HE1      LYS  24  12.725   5.719   8.159
  167   1HZ   LYS  24           HZ1      LYS  24  13.570   7.057  10.094
  168   2HZ   LYS  24           HZ3      LYS  24  14.478   7.964   8.986
  169   3HZ   LYS  24           HZ2      LYS  24  12.783   7.953   8.884
  170    H    SER  25           HN       SER  25  19.269   1.617   6.594
  171    HA   SER  25           HA       SER  25  21.698   3.074   7.168
  172   1HB   SER  25           HB2      SER  25  22.024   1.357   9.216
  173   2HB   SER  25           HB1      SER  25  21.284   2.939   9.436
  174    HG   SER  25           HG       SER  25  20.057   0.407   9.151
  175    H    ALA  26           HN       ALA  26  23.597   1.394   7.290
  176    HA   ALA  26           HA       ALA  26  23.119  -1.304   6.376
  177   1HB   ALA  26           HB3      ALA  26  22.430   0.375   4.478
  178   2HB   ALA  26           HB2      ALA  26  24.171   0.492   4.214
  179   3HB   ALA  26           HB1      ALA  26  23.359  -1.062   4.076
  180    H    ALA  27           HN       ALA  27  25.068  -2.487   6.333
  181    HA   ALA  27           HA       ALA  27  27.499  -1.021   7.211
  182   1HB   ALA  27           HB1      ALA  27  26.433  -3.546   7.672
  183   2HB   ALA  27           HB3      ALA  27  27.730  -3.864   6.521
  184   3HB   ALA  27           HB2      ALA  27  28.086  -3.055   8.047
  185    H    CYS  28           HN       CYS  28  29.238  -0.671   5.749
  186    HA   CYS  28           HA       CYS  28  28.656  -1.595   2.983
  187   1HB   CYS  28           HB2      CYS  28  28.524   0.896   3.842
  188   2HB   CYS  28           HB1      CYS  28  30.255   0.849   3.569
  189    H    THR  29           HN       THR  29  30.853  -0.974   1.659
  190    HA   THR  29           HA       THR  29  33.171  -2.196   3.059
  191    HB   THR  29           HB       THR  29  31.443  -3.601   1.396
  192    HG1  THR  29           HG1      THR  29  32.807  -5.122   1.884
  193   1HG2  THR  29          HG21      THR  29  32.292  -2.224  -0.533
  194   2HG2  THR  29          HG23      THR  29  33.892  -2.906  -0.244
  195   3HG2  THR  29          HG22      THR  29  32.557  -3.958  -0.718
  196    H    LEU  30           HN       LEU  30  35.163  -1.676   1.930
  197    HA   LEU  30           HA       LEU  30  34.923   0.876   0.407
  198   1HB   LEU  30           HB2      LEU  30  37.306  -0.241   1.897
  199   2HB   LEU  30           HB1      LEU  30  37.014   1.433   1.430
  200    HG   LEU  30           HG       LEU  30  35.077   0.005   3.249
  201   1HD1  LEU  30          HD12      LEU  30  37.772   0.323   3.876
  202   2HD1  LEU  30          HD11      LEU  30  36.982   1.706   4.633
  203   3HD1  LEU  30          HD13      LEU  30  36.454   0.069   5.019
  204   1HD2  LEU  30          HD21      LEU  30  35.043   2.465   2.038
  205   2HD2  LEU  30          HD23      LEU  30  34.185   2.078   3.528
  206   3HD2  LEU  30          HD22      LEU  30  35.768   2.851   3.599
  207    H    LYS  31           HN       LYS  31  36.646   1.276  -1.173
  208    HA   LYS  31           HA       LYS  31  38.449  -0.494  -2.343
  209   1HB   LYS  31           HB2      LYS  31  35.674  -1.296  -2.637
  210   2HB   LYS  31           HB1      LYS  31  36.380  -0.973  -4.220
  211   1HG   LYS  31           HG2      LYS  31  38.213  -2.504  -3.775
  212   2HG   LYS  31           HG1      LYS  31  37.654  -2.747  -2.119
  213   1HD   LYS  31           HD2      LYS  31  36.214  -4.342  -2.785
  214   2HD   LYS  31           HD1      LYS  31  35.492  -3.249  -3.966
  215   1HE   LYS  31           HE2      LYS  31  36.805  -4.039  -5.700
  216   2HE   LYS  31           HE1      LYS  31  38.165  -4.426  -4.628
  217   1HZ   LYS  31           HZ2      LYS  31  36.390  -6.040  -3.597
  218   2HZ   LYS  31           HZ1      LYS  31  35.728  -5.964  -5.161
  219   3HZ   LYS  31           HZ3      LYS  31  37.319  -6.509  -4.941
  220    H    ALA  32           HN       ALA  32  38.514   0.035  -4.922
  221    HA   ALA  32           HA       ALA  32  39.032   2.728  -5.327
  222   1HB   ALA  32           HB1      ALA  32  39.465   0.818  -6.886
  223   2HB   ALA  32           HB3      ALA  32  37.753   0.817  -7.309
  224   3HB   ALA  32           HB2      ALA  32  38.757   2.212  -7.704
  225    H    CYS  33           HN       CYS  33  37.789   4.511  -6.132
  226    HA   CYS  33           HA       CYS  33  34.812   4.171  -5.979
  227   1HB   CYS  33           HB2      CYS  33  36.627   6.320  -4.843
  228   2HB   CYS  33           HB1      CYS  33  34.873   6.480  -4.916
  229    HA   PRO  34           HA       PRO  34  35.132   5.859 -10.067
  230   1HB   PRO  34           HB2      PRO  34  32.453   6.397 -10.385
  231   2HB   PRO  34           HB1      PRO  34  33.156   4.774 -10.553
  232   1HG   PRO  34           HG2      PRO  34  31.785   6.002  -8.197
  233   2HG   PRO  34           HG1      PRO  34  31.591   4.383  -8.892
  234   1HD   PRO  34           HD2      PRO  34  33.077   4.774  -6.703
  235   2HD   PRO  34           HD1      PRO  34  33.561   3.593  -7.943
  236    H    ASN  35           HN       ASN  35  35.693   7.921 -10.618
  237    HA   ASN  35           HA       ASN  35  35.082  10.144  -8.799
  238   1HB   ASN  35           HB2      ASN  35  37.023   9.399 -10.771
  239   2HB   ASN  35           HB1      ASN  35  36.334  10.953 -11.242
  240   1HD2  ASN  35          HD22      ASN  35  38.452  12.553  -8.933
  241   2HD2  ASN  35          HD21      ASN  35  37.833  12.490 -10.512
  242    H    GLN  36           HN       GLN  36  34.973  12.179 -10.871
  243    HA   GLN  36           HA       GLN  36  32.101  12.149 -11.404
  244   1HB   GLN  36           HB2      GLN  36  34.200  14.005 -11.120
  245   2HB   GLN  36           HB1      GLN  36  33.647  14.182 -12.786
  246   1HG   GLN  36           HG2      GLN  36  31.736  14.103 -10.443
  247   2HG   GLN  36           HG1      GLN  36  32.427  15.608 -11.053
  248   1HE2  GLN  36          HE22      GLN  36  29.146  14.640 -12.810
  249   2HE2  GLN  36          HE21      GLN  36  29.559  14.583 -11.165
   
  No H/Q in entry =         249
  Start of MODEL   15
    1   1H    GLU   1           HT2      GLU   1  16.819  10.101   6.906
    2   2H    GLU   1           HT1      GLU   1  17.284  11.029   8.252
    3   3H    GLU   1           HT3      GLU   1  17.977  11.334   6.733
    4    HA   GLU   1           HA       GLU   1  19.630  10.125   7.831
    5   1HB   GLU   1           HB2      GLU   1  17.207   9.116   9.126
    6   2HB   GLU   1           HB1      GLU   1  18.392   7.842   8.834
    7   1HG   GLU   1           HG2      GLU   1  20.106   9.565   9.801
    8   2HG   GLU   1           HG1      GLU   1  18.675  10.341  10.483
    9    H    ILE   2           HN       ILE   2  20.519   7.872   7.261
   10    HA   ILE   2           HA       ILE   2  20.462   7.283   4.560
   11    HB   ILE   2           HB       ILE   2  20.796   5.588   7.020
   12   1HG1  ILE   2          HG12      ILE   2  22.586   6.921   5.001
   13   2HG1  ILE   2          HG11      ILE   2  22.645   7.022   6.760
   14   1HG2  ILE   2          HG23      ILE   2  21.161   4.677   4.162
   15   2HG2  ILE   2          HG22      ILE   2  21.699   3.784   5.580
   16   3HG2  ILE   2          HG21      ILE   2  19.978   4.057   5.314
   17   1HD1  ILE   2          HD12      ILE   2  23.170   4.456   6.631
   18   2HD1  ILE   2          HD11      ILE   2  23.611   4.809   4.960
   19   3HD1  ILE   2          HD13      ILE   2  24.458   5.610   6.283
   20    H    SER   3           HN       SER   3  19.556   5.260   3.551
   21    HA   SER   3           HA       SER   3  17.230   3.956   4.522
   22   1HB   SER   3           HB2      SER   3  15.801   5.271   2.625
   23   2HB   SER   3           HB1      SER   3  15.873   5.811   4.300
   24    HG   SER   3           HG       SER   3  16.384   7.439   2.687
   25    H    CYS   4           HN       CYS   4  16.672   2.246   3.093
   26    HA   CYS   4           HA       CYS   4  17.222   2.191   0.286
   27   1HB   CYS   4           HB2      CYS   4  19.271   0.607   0.564
   28   2HB   CYS   4           HB1      CYS   4  19.526   2.337   0.748
   29    H    GLU   5           HN       GLU   5  17.302  -0.167  -0.519
   30    HA   GLU   5           HA       GLU   5  15.089  -1.655   0.303
   31   1HB   GLU   5           HB2      GLU   5  17.632  -2.136  -1.150
   32   2HB   GLU   5           HB1      GLU   5  16.804  -3.585  -0.577
   33   1HG   GLU   5           HG2      GLU   5  15.288  -3.412  -2.229
   34   2HG   GLU   5           HG1      GLU   5  14.866  -1.783  -1.700
   35    HA   PRO   6           HA       PRO   6  16.764  -2.618   4.395
   36   1HB   PRO   6           HB2      PRO   6  14.360  -3.540   5.362
   37   2HB   PRO   6           HB1      PRO   6  14.815  -1.825   5.330
   38   1HG   PRO   6           HG2      PRO   6  13.119  -3.373   3.421
   39   2HG   PRO   6           HG1      PRO   6  12.868  -1.751   4.095
   40   1HD   PRO   6           HD2      PRO   6  13.818  -2.106   1.609
   41   2HD   PRO   6           HD1      PRO   6  14.372  -0.766   2.640
   42    H    GLY   7           HN       GLY   7  17.948  -4.475   4.492
   43   1HA   GLY   7           HA2      GLY   7  18.005  -6.862   4.976
   44   2HA   GLY   7           HA1      GLY   7  16.537  -7.053   4.020
   45    H    LYS   8           HN       LYS   8  17.896  -5.143   1.974
   46    HA   LYS   8           HA       LYS   8  19.390  -7.341   0.609
   47   1HB   LYS   8           HB2      LYS   8  18.264  -4.788  -0.558
   48   2HB   LYS   8           HB1      LYS   8  18.701  -6.266  -1.416
   49   1HG   LYS   8           HG2      LYS   8  16.824  -6.919   0.660
   50   2HG   LYS   8           HG1      LYS   8  16.174  -5.593  -0.306
   51   1HD   LYS   8           HD2      LYS   8  17.453  -7.792  -1.832
   52   2HD   LYS   8           HD1      LYS   8  15.941  -8.199  -1.020
   53   1HE   LYS   8           HE2      LYS   8  14.691  -6.778  -2.344
   54   2HE   LYS   8           HE1      LYS   8  16.024  -5.621  -2.537
   55   1HZ   LYS   8           HZ3      LYS   8  16.141  -8.362  -3.652
   56   2HZ   LYS   8           HZ2      LYS   8  15.497  -7.063  -4.536
   57   3HZ   LYS   8           HZ1      LYS   8  17.120  -7.033  -4.035
   58    H    THR   9           HN       THR   9  21.081  -6.417  -0.989
   59    HA   THR   9           HA       THR   9  22.860  -4.562   0.524
   60    HB   THR   9           HB       THR   9  23.574  -6.283  -1.852
   61    HG1  THR   9           HG1      THR   9  22.876  -7.857  -0.624
   62   1HG2  THR   9          HG23      THR   9  25.084  -5.266   0.570
   63   2HG2  THR   9          HG22      THR   9  25.761  -6.354  -0.643
   64   3HG2  THR   9          HG21      THR   9  25.275  -4.721  -1.096
   65    H    PHE  10           HN       PHE  10  24.248  -3.125  -1.005
   66    HA   PHE  10           HA       PHE  10  23.164  -2.486  -3.605
   67   1HB   PHE  10           HB2      PHE  10  22.217  -0.286  -2.964
   68   2HB   PHE  10           HB1      PHE  10  21.352  -1.625  -2.231
   69    HD1  PHE  10           HD2      PHE  10  23.252  -2.220   0.137
   70    HD2  PHE  10           HD1      PHE  10  21.772   1.467  -1.502
   71    HE1  PHE  10           HE2      PHE  10  23.542  -1.142   2.311
   72    HE2  PHE  10           HE1      PHE  10  22.034   2.532   0.712
   73    HZ   PHE  10           HZ       PHE  10  22.937   1.242   2.620
   74    H    LYS  11           HN       LYS  11  23.988   0.121  -3.861
   75    HA   LYS  11           HA       LYS  11  26.933  -0.184  -3.401
   76   1HB   LYS  11           HB2      LYS  11  25.585   0.183  -5.675
   77   2HB   LYS  11           HB1      LYS  11  25.695   1.877  -5.194
   78   1HG   LYS  11           HG2      LYS  11  28.214   1.379  -4.803
   79   2HG   LYS  11           HG1      LYS  11  27.929  -0.056  -5.789
   80   1HD   LYS  11           HD2      LYS  11  26.693   2.174  -7.087
   81   2HD   LYS  11           HD1      LYS  11  28.348   2.624  -6.674
   82   1HE   LYS  11           HE2      LYS  11  28.834   0.151  -7.620
   83   2HE   LYS  11           HE1      LYS  11  27.379   0.531  -8.563
   84   1HZ   LYS  11           HZ3      LYS  11  29.759   2.290  -8.284
   85   2HZ   LYS  11           HZ2      LYS  11  29.379   1.366  -9.659
   86   3HZ   LYS  11           HZ1      LYS  11  28.365   2.645  -9.183
   87    H    ASP  12           HN       ASP  12  24.552   2.502  -3.578
   88    HA   ASP  12           HA       ASP  12  24.397   4.488  -2.316
   89   1HB   ASP  12           HB2      ASP  12  24.084   2.784  -0.556
   90   2HB   ASP  12           HB1      ASP  12  25.831   2.684  -0.340
   91    H    LYS  13           HN       LYS  13  27.276   3.837  -0.486
   92    HA   LYS  13           HA       LYS  13  28.607   6.202  -1.215
   93   1HB   LYS  13           HB2      LYS  13  29.869   3.590  -0.348
   94   2HB   LYS  13           HB1      LYS  13  30.469   5.217  -0.032
   95   1HG   LYS  13           HG2      LYS  13  27.954   5.392   1.011
   96   2HG   LYS  13           HG1      LYS  13  28.332   3.701   1.336
   97   1HD   LYS  13           HD2      LYS  13  30.319   4.286   2.547
   98   2HD   LYS  13           HD1      LYS  13  30.220   5.965   2.018
   99   1HE   LYS  13           HE2      LYS  13  29.391   5.831   4.312
  100   2HE   LYS  13           HE1      LYS  13  28.005   6.130   3.244
  101   1HZ   LYS  13           HZ3      LYS  13  28.800   3.352   3.640
  102   2HZ   LYS  13           HZ2      LYS  13  28.050   4.119   4.958
  103   3HZ   LYS  13           HZ1      LYS  13  27.250   4.019   3.462
  104    H    CYS  14           HN       CYS  14  31.231   5.337  -1.921
  105    HA   CYS  14           HA       CYS  14  30.856   4.923  -4.826
  106   1HB   CYS  14           HB2      CYS  14  33.193   5.598  -4.923
  107   2HB   CYS  14           HB1      CYS  14  32.358   6.668  -3.794
  108    H    ASN  15           HN       ASN  15  31.241   2.929  -2.147
  109    HA   ASN  15           HA       ASN  15  32.699   0.880  -3.762
  110   1HB   ASN  15           HB2      ASN  15  32.622   1.657  -0.867
  111   2HB   ASN  15           HB1      ASN  15  33.012  -0.017  -1.282
  112   1HD2  ASN  15          HD22      ASN  15  35.867   2.743  -1.695
  113   2HD2  ASN  15          HD21      ASN  15  34.473   2.950  -0.749
  114    H    THR  16           HN       THR  16  31.335  -0.518  -1.009
  115    HA   THR  16           HA       THR  16  28.735  -0.997  -2.396
  116    HB   THR  16           HB       THR  16  29.713  -3.495  -1.451
  117    HG1  THR  16           HG1      THR  16  31.557  -3.640  -2.776
  118   1HG2  THR  16          HG22      THR  16  28.423  -2.304  -3.693
  119   2HG2  THR  16          HG21      THR  16  29.775  -3.258  -4.302
  120   3HG2  THR  16          HG23      THR  16  28.542  -4.017  -3.296
  121    H    CYS  17           HN       CYS  17  27.103  -0.990  -0.979
  122    HA   CYS  17           HA       CYS  17  27.709  -1.332   1.908
  123   1HB   CYS  17           HB2      CYS  17  25.467   0.044   0.463
  124   2HB   CYS  17           HB1      CYS  17  25.631  -0.058   2.218
  125    H    ARG  18           HN       ARG  18  25.635  -1.982   3.131
  126    HA   ARG  18           HA       ARG  18  24.128  -4.160   1.776
  127   1HB   ARG  18           HB2      ARG  18  25.981  -5.294   2.806
  128   2HB   ARG  18           HB1      ARG  18  25.865  -4.299   4.257
  129   1HG   ARG  18           HG2      ARG  18  23.747  -5.316   4.857
  130   2HG   ARG  18           HG1      ARG  18  23.700  -6.209   3.337
  131   1HD   ARG  18           HD2      ARG  18  26.197  -6.849   4.471
  132   2HD   ARG  18           HD1      ARG  18  25.034  -6.926   5.811
  133    HE   ARG  18           HE       ARG  18  24.532  -8.314   3.203
  134   1HH1  ARG  18          HH11      ARG  18  22.301  -8.293   5.139
  135   2HH1  ARG  18          HH12      ARG  18  22.543  -9.761   6.024
  136   1HH2  ARG  18          HH21      ARG  18  25.831 -10.151   4.992
  137   2HH2  ARG  18          HH22      ARG  18  24.542 -10.814   5.941
  138    H    CYS  19           HN       CYS  19  22.242  -2.797   1.942
  139    HA   CYS  19           HA       CYS  19  21.526  -1.238   4.187
  140   1HB   CYS  19           HB2      CYS  19  20.633  -1.303   1.810
  141   2HB   CYS  19           HB1      CYS  19  19.628  -2.674   2.324
  142    H    GLY  20           HN       GLY  20  20.823  -1.750   6.177
  143   1HA   GLY  20           HA2      GLY  20  20.680  -4.517   7.014
  144   2HA   GLY  20           HA1      GLY  20  20.340  -3.119   8.028
  145    H    ALA  21           HN       ALA  21  18.770  -5.273   8.395
  146    HA   ALA  21           HA       ALA  21  16.480  -5.762   6.901
  147   1HB   ALA  21           HB1      ALA  21  17.266  -5.731   9.756
  148   2HB   ALA  21           HB3      ALA  21  15.527  -5.715   9.462
  149   3HB   ALA  21           HB2      ALA  21  16.519  -7.021   8.813
  150    H    ASP  22           HN       ASP  22  17.334  -2.834   8.599
  151    HA   ASP  22           HA       ASP  22  14.587  -1.729   8.288
  152   1HB   ASP  22           HB2      ASP  22  17.087  -0.533   9.527
  153   2HB   ASP  22           HB1      ASP  22  15.425   0.007   9.767
  154    H    GLY  23           HN       GLY  23  14.194   0.008   6.853
  155   1HA   GLY  23           HA2      GLY  23  16.193   0.374   4.731
  156   2HA   GLY  23           HA1      GLY  23  14.558   1.036   4.739
  157    H    LYS  24           HN       LYS  24  17.444   1.380   6.856
  158    HA   LYS  24           HA       LYS  24  17.531   4.266   6.295
  159   1HB   LYS  24           HB2      LYS  24  16.388   3.024   8.761
  160   2HB   LYS  24           HB1      LYS  24  17.324   4.508   8.946
  161   1HG   LYS  24           HG2      LYS  24  15.679   4.999   6.739
  162   2HG   LYS  24           HG1      LYS  24  14.638   4.149   7.881
  163   1HD   LYS  24           HD2      LYS  24  16.373   6.228   9.074
  164   2HD   LYS  24           HD1      LYS  24  15.121   6.829   7.986
  165   1HE   LYS  24           HE2      LYS  24  13.394   6.118   9.360
  166   2HE   LYS  24           HE1      LYS  24  14.338   4.764  10.015
  167   1HZ   LYS  24           HZ1      LYS  24  15.231   7.531  10.476
  168   2HZ   LYS  24           HZ3      LYS  24  14.004   6.882  11.451
  169   3HZ   LYS  24           HZ2      LYS  24  15.531   6.138  11.401
  170    H    SER  25           HN       SER  25  19.257   1.583   6.594
  171    HA   SER  25           HA       SER  25  21.639   3.065   7.268
  172   1HB   SER  25           HB2      SER  25  21.971   1.286   9.265
  173   2HB   SER  25           HB1      SER  25  21.193   2.844   9.524
  174    HG   SER  25           HG       SER  25  20.143   0.301   9.520
  175    H    ALA  26           HN       ALA  26  23.574   1.424   7.362
  176    HA   ALA  26           HA       ALA  26  23.181  -1.255   6.367
  177   1HB   ALA  26           HB1      ALA  26  22.489   0.515   4.513
  178   2HB   ALA  26           HB3      ALA  26  24.231   0.564   4.238
  179   3HB   ALA  26           HB2      ALA  26  23.355  -0.953   4.086
  180    H    ALA  27           HN       ALA  27  25.159  -2.381   6.327
  181    HA   ALA  27           HA       ALA  27  27.543  -0.857   7.241
  182   1HB   ALA  27           HB2      ALA  27  26.504  -3.445   7.627
  183   2HB   ALA  27           HB1      ALA  27  27.941  -3.667   6.628
  184   3HB   ALA  27           HB3      ALA  27  28.068  -2.848   8.184
  185    H    CYS  28           HN       CYS  28  29.309  -0.501   5.824
  186    HA   CYS  28           HA       CYS  28  28.860  -1.502   3.056
  187   1HB   CYS  28           HB2      CYS  28  28.529   0.989   3.836
  188   2HB   CYS  28           HB1      CYS  28  30.270   1.055   3.644
  189    H    THR  29           HN       THR  29  31.034  -0.848   1.764
  190    HA   THR  29           HA       THR  29  33.415  -1.737   3.297
  191    HB   THR  29           HB       THR  29  31.879  -3.556   1.988
  192    HG1  THR  29           HG1      THR  29  33.698  -4.825   2.031
  193   1HG2  THR  29          HG22      THR  29  32.469  -2.157  -0.157
  194   2HG2  THR  29          HG21      THR  29  34.005  -3.018  -0.061
  195   3HG2  THR  29          HG23      THR  29  32.498  -3.919  -0.230
  196    H    LEU  30           HN       LEU  30  35.380  -1.416   1.952
  197    HA   LEU  30           HA       LEU  30  35.023   0.967   0.191
  198   1HB   LEU  30           HB2      LEU  30  37.310   0.004   1.932
  199   2HB   LEU  30           HB1      LEU  30  37.333   1.483   0.972
  200    HG   LEU  30           HG       LEU  30  36.691   2.166   3.162
  201   1HD1  LEU  30          HD12      LEU  30  35.274   3.019   1.256
  202   2HD1  LEU  30          HD11      LEU  30  34.085   1.786   1.673
  203   3HD1  LEU  30          HD13      LEU  30  34.477   3.058   2.829
  204   1HD2  LEU  30          HD22      LEU  30  35.862  -0.418   3.517
  205   2HD2  LEU  30          HD21      LEU  30  35.513   0.899   4.638
  206   3HD2  LEU  30          HD23      LEU  30  34.320   0.432   3.426
  207    H    LYS  31           HN       LYS  31  36.805   1.232  -1.404
  208    HA   LYS  31           HA       LYS  31  38.566  -0.601  -2.486
  209   1HB   LYS  31           HB2      LYS  31  35.756  -1.424  -2.710
  210   2HB   LYS  31           HB1      LYS  31  36.558  -1.356  -4.280
  211   1HG   LYS  31           HG2      LYS  31  37.967  -3.089  -3.785
  212   2HG   LYS  31           HG1      LYS  31  38.117  -2.614  -2.093
  213   1HD   LYS  31           HD2      LYS  31  36.794  -4.431  -1.717
  214   2HD   LYS  31           HD1      LYS  31  35.490  -3.339  -2.184
  215   1HE   LYS  31           HE2      LYS  31  35.036  -4.967  -3.740
  216   2HE   LYS  31           HE1      LYS  31  36.361  -4.203  -4.641
  217   1HZ   LYS  31           HZ3      LYS  31  37.914  -5.642  -3.387
  218   2HZ   LYS  31           HZ2      LYS  31  36.582  -6.455  -2.715
  219   3HZ   LYS  31           HZ1      LYS  31  36.863  -6.519  -4.389
  220    H    ALA  32           HN       ALA  32  38.310  -0.368  -5.182
  221    HA   ALA  32           HA       ALA  32  38.915   2.247  -5.880
  222   1HB   ALA  32           HB3      ALA  32  37.396   0.114  -7.411
  223   2HB   ALA  32           HB2      ALA  32  38.075   1.557  -8.163
  224   3HB   ALA  32           HB1      ALA  32  39.140   0.375  -7.403
  225    H    CYS  33           HN       CYS  33  37.673   4.043  -6.669
  226    HA   CYS  33           HA       CYS  33  34.712   3.900  -6.337
  227   1HB   CYS  33           HB2      CYS  33  36.691   5.713  -4.939
  228   2HB   CYS  33           HB1      CYS  33  34.980   6.122  -5.064
  229    HA   PRO  34           HA       PRO  34  35.741   6.020 -10.235
  230   1HB   PRO  34           HB2      PRO  34  33.234   5.637 -11.302
  231   2HB   PRO  34           HB1      PRO  34  34.529   4.424 -11.380
  232   1HG   PRO  34           HG2      PRO  34  32.248   4.631  -9.457
  233   2HG   PRO  34           HG1      PRO  34  32.878   3.206 -10.304
  234   1HD   PRO  34           HD2      PRO  34  33.499   3.678  -7.743
  235   2HD   PRO  34           HD1      PRO  34  34.695   2.990  -8.868
  236    H    ASN  35           HN       ASN  35  34.741   8.004 -11.214
  237    HA   ASN  35           HA       ASN  35  33.729  10.135 -11.017
  238   1HB   ASN  35           HB2      ASN  35  31.947   8.170 -10.048
  239   2HB   ASN  35           HB1      ASN  35  31.903   9.478  -8.865
  240   1HD2  ASN  35          HD22      ASN  35  29.562  11.021 -11.038
  241   2HD2  ASN  35          HD21      ASN  35  29.803  10.274  -9.533
  242    H    GLN  36           HN       GLN  36  32.759  11.444  -8.721
  243    HA   GLN  36           HA       GLN  36  35.200  12.183  -7.380
  244   1HB   GLN  36           HB2      GLN  36  32.288  12.661  -6.660
  245   2HB   GLN  36           HB1      GLN  36  33.662  13.597  -6.071
  246   1HG   GLN  36           HG2      GLN  36  34.038  14.605  -8.134
  247   2HG   GLN  36           HG1      GLN  36  33.273  13.292  -9.029
  248   1HE2  GLN  36          HE22      GLN  36  30.260  15.085  -9.209
  249   2HE2  GLN  36          HE21      GLN  36  31.367  14.039  -9.960
   
  No H/Q in entry =         249
  Start of MODEL   16
    1   1H    GLU   1           HT3      GLU   1  18.252   8.932   7.327
    2   2H    GLU   1           HT2      GLU   1  19.626   8.679   8.296
    3   3H    GLU   1           HT1      GLU   1  18.807  10.166   8.350
    4    HA   GLU   1           HA       GLU   1  19.558  10.808   6.233
    5   1HB   GLU   1           HB2      GLU   1  21.499   9.441   8.073
    6   2HB   GLU   1           HB1      GLU   1  22.099  10.127   6.562
    7   1HG   GLU   1           HG2      GLU   1  20.282  11.844   8.177
    8   2HG   GLU   1           HG1      GLU   1  21.902  11.577   8.821
    9    H    ILE   2           HN       ILE   2  19.326   7.424   6.687
   10    HA   ILE   2           HA       ILE   2  20.205   6.961   3.850
   11    HB   ILE   2           HB       ILE   2  20.583   5.375   6.377
   12   1HG1  ILE   2          HG12      ILE   2  22.451   6.395   4.220
   13   2HG1  ILE   2          HG11      ILE   2  22.348   6.978   5.882
   14   1HG2  ILE   2          HG22      ILE   2  20.875   4.415   3.530
   15   2HG2  ILE   2          HG21      ILE   2  21.490   3.553   4.939
   16   3HG2  ILE   2          HG23      ILE   2  19.755   3.797   4.745
   17   1HD1  ILE   2          HD13      ILE   2  22.960   4.086   5.283
   18   2HD1  ILE   2          HD12      ILE   2  24.238   5.300   5.317
   19   3HD1  ILE   2          HD11      ILE   2  23.277   4.993   6.763
   20    H    SER   3           HN       SER   3  19.204   4.949   2.970
   21    HA   SER   3           HA       SER   3  16.940   3.702   4.144
   22   1HB   SER   3           HB2      SER   3  16.532   6.227   2.597
   23   2HB   SER   3           HB1      SER   3  15.344   4.944   2.381
   24    HG   SER   3           HG       SER   3  14.552   5.692   4.179
   25    H    CYS   4           HN       CYS   4  16.067   2.081   2.773
   26    HA   CYS   4           HA       CYS   4  16.285   1.811  -0.004
   27   1HB   CYS   4           HB2      CYS   4  18.392   0.257   0.032
   28   2HB   CYS   4           HB1      CYS   4  18.617   1.998  -0.004
   29    H    GLU   5           HN       GLU   5  16.054  -0.483  -0.708
   30    HA   GLU   5           HA       GLU   5  14.170  -1.963   0.740
   31   1HB   GLU   5           HB2      GLU   5  15.701  -2.194  -1.611
   32   2HB   GLU   5           HB1      GLU   5  16.028  -3.674  -0.707
   33   1HG   GLU   5           HG2      GLU   5  14.077  -4.426  -1.581
   34   2HG   GLU   5           HG1      GLU   5  13.305  -3.383  -0.385
   35    HA   PRO   6           HA       PRO   6  17.030  -2.972   4.103
   36   1HB   PRO   6           HB2      PRO   6  15.060  -3.886   5.790
   37   2HB   PRO   6           HB1      PRO   6  15.492  -2.174   5.613
   38   1HG   PRO   6           HG2      PRO   6  13.254  -3.693   4.358
   39   2HG   PRO   6           HG1      PRO   6  13.260  -2.071   5.076
   40   1HD   PRO   6           HD2      PRO   6  13.349  -2.442   2.410
   41   2HD   PRO   6           HD1      PRO   6  14.198  -1.096   3.204
   42    H    GLY   7           HN       GLY   7  18.134  -4.844   3.999
   43   1HA   GLY   7           HA2      GLY   7  18.160  -7.274   4.463
   44   2HA   GLY   7           HA1      GLY   7  16.614  -7.387   3.621
   45    H    LYS   8           HN       LYS   8  17.903  -5.328   1.645
   46    HA   LYS   8           HA       LYS   8  19.191  -7.440  -0.033
   47   1HB   LYS   8           HB2      LYS   8  18.153  -4.735  -0.894
   48   2HB   LYS   8           HB1      LYS   8  18.394  -6.174  -1.885
   49   1HG   LYS   8           HG2      LYS   8  16.411  -6.028   0.403
   50   2HG   LYS   8           HG1      LYS   8  15.983  -5.735  -1.282
   51   1HD   LYS   8           HD2      LYS   8  17.517  -8.189  -0.998
   52   2HD   LYS   8           HD1      LYS   8  16.062  -8.222  -0.001
   53   1HE   LYS   8           HE2      LYS   8  15.135  -8.946  -1.998
   54   2HE   LYS   8           HE1      LYS   8  15.004  -7.197  -2.270
   55   1HZ   LYS   8           HZ2      LYS   8  17.355  -8.857  -3.015
   56   2HZ   LYS   8           HZ1      LYS   8  16.157  -8.341  -4.103
   57   3HZ   LYS   8           HZ3      LYS   8  17.149  -7.202  -3.332
   58    H    THR   9           HN       THR   9  20.839  -6.431  -1.629
   59    HA   THR   9           HA       THR   9  22.741  -4.754  -0.050
   60    HB   THR   9           HB       THR   9  23.374  -6.322  -2.543
   61    HG1  THR   9           HG1      THR   9  22.687  -8.008  -1.502
   62   1HG2  THR   9          HG22      THR   9  24.917  -5.675  -0.014
   63   2HG2  THR   9          HG21      THR   9  25.551  -6.567  -1.398
   64   3HG2  THR   9          HG23      THR   9  25.106  -4.869  -1.572
   65    H    PHE  10           HN       PHE  10  23.977  -3.104  -1.311
   66    HA   PHE  10           HA       PHE  10  22.952  -2.346  -3.934
   67   1HB   PHE  10           HB2      PHE  10  22.033  -0.186  -3.176
   68   2HB   PHE  10           HB1      PHE  10  21.172  -1.539  -2.467
   69    HD1  PHE  10           HD2      PHE  10  22.894  -2.306  -0.137
   70    HD2  PHE  10           HD1      PHE  10  21.890   1.572  -1.699
   71    HE1  PHE  10           HE2      PHE  10  23.277  -1.310   2.081
   72    HE2  PHE  10           HE1      PHE  10  22.240   2.548   0.546
   73    HZ   PHE  10           HZ       PHE  10  22.946   1.116   2.432
   74    H    LYS  11           HN       LYS  11  23.834   0.240  -4.069
   75    HA   LYS  11           HA       LYS  11  26.767  -0.173  -3.721
   76   1HB   LYS  11           HB2      LYS  11  25.818   0.343  -5.942
   77   2HB   LYS  11           HB1      LYS  11  25.133   1.839  -5.308
   78   1HG   LYS  11           HG2      LYS  11  27.118   2.923  -5.422
   79   2HG   LYS  11           HG1      LYS  11  27.997   1.554  -4.741
   80   1HD   LYS  11           HD2      LYS  11  27.031   0.915  -7.396
   81   2HD   LYS  11           HD1      LYS  11  27.999   2.390  -7.428
   82   1HE   LYS  11           HE2      LYS  11  29.713   0.837  -7.591
   83   2HE   LYS  11           HE1      LYS  11  29.568   0.883  -5.822
   84   1HZ   LYS  11           HZ2      LYS  11  27.839  -0.872  -6.036
   85   2HZ   LYS  11           HZ1      LYS  11  28.237  -1.011  -7.682
   86   3HZ   LYS  11           HZ3      LYS  11  29.392  -1.385  -6.497
   87    H    ASP  12           HN       ASP  12  24.914   2.878  -3.770
   88    HA   ASP  12           HA       ASP  12  25.012   4.735  -2.308
   89   1HB   ASP  12           HB2      ASP  12  24.281   2.587  -0.893
   90   2HB   ASP  12           HB1      ASP  12  25.835   2.874  -0.113
   91    H    LYS  13           HN       LYS  13  26.632   5.976  -0.926
   92    HA   LYS  13           HA       LYS  13  28.843   6.844  -0.810
   93   1HB   LYS  13           HB2      LYS  13  29.278   3.884  -0.276
   94   2HB   LYS  13           HB1      LYS  13  30.343   5.192   0.240
   95   1HG   LYS  13           HG2      LYS  13  27.469   5.391   1.010
   96   2HG   LYS  13           HG1      LYS  13  28.451   4.195   1.855
   97   1HD   LYS  13           HD2      LYS  13  28.930   5.996   3.195
   98   2HD   LYS  13           HD1      LYS  13  30.147   6.288   1.952
   99   1HE   LYS  13           HE2      LYS  13  29.141   8.225   1.348
  100   2HE   LYS  13           HE1      LYS  13  27.577   7.405   1.162
  101   1HZ   LYS  13           HZ2      LYS  13  28.774   8.120   3.785
  102   2HZ   LYS  13           HZ1      LYS  13  27.616   9.073   2.988
  103   3HZ   LYS  13           HZ3      LYS  13  27.214   7.508   3.504
  104    H    CYS  14           HN       CYS  14  31.230   5.135  -1.446
  105    HA   CYS  14           HA       CYS  14  30.962   5.183  -4.431
  106   1HB   CYS  14           HB2      CYS  14  33.302   5.859  -4.436
  107   2HB   CYS  14           HB1      CYS  14  32.409   6.916  -3.343
  108    H    ASN  15           HN       ASN  15  30.952   2.977  -2.028
  109    HA   ASN  15           HA       ASN  15  32.641   1.072  -3.594
  110   1HB   ASN  15           HB2      ASN  15  32.390   1.659  -0.662
  111   2HB   ASN  15           HB1      ASN  15  32.830   0.022  -1.169
  112   1HD2  ASN  15          HD22      ASN  15  35.656   2.844  -1.237
  113   2HD2  ASN  15          HD21      ASN  15  34.199   2.982  -0.375
  114    H    THR  16           HN       THR  16  31.160  -0.525  -1.032
  115    HA   THR  16           HA       THR  16  28.632  -0.941  -2.566
  116    HB   THR  16           HB       THR  16  29.628  -3.477  -1.723
  117    HG1  THR  16           HG1      THR  16  31.376  -1.976  -3.380
  118   1HG2  THR  16          HG23      THR  16  28.672  -2.077  -4.134
  119   2HG2  THR  16          HG22      THR  16  29.744  -3.438  -4.457
  120   3HG2  THR  16          HG21      THR  16  28.265  -3.683  -3.529
  121    H    CYS  17           HN       CYS  17  26.936  -1.060  -1.212
  122    HA   CYS  17           HA       CYS  17  27.459  -1.570   1.667
  123   1HB   CYS  17           HB2      CYS  17  25.305  -0.080   0.208
  124   2HB   CYS  17           HB1      CYS  17  25.296  -0.371   1.948
  125    H    ARG  18           HN       ARG  18  25.360  -2.294   2.785
  126    HA   ARG  18           HA       ARG  18  23.900  -4.417   1.296
  127   1HB   ARG  18           HB2      ARG  18  25.820  -5.490   2.396
  128   2HB   ARG  18           HB1      ARG  18  25.427  -4.683   3.915
  129   1HG   ARG  18           HG2      ARG  18  23.046  -5.920   3.273
  130   2HG   ARG  18           HG1      ARG  18  24.244  -7.093   2.722
  131   1HD   ARG  18           HD2      ARG  18  25.253  -7.220   4.902
  132   2HD   ARG  18           HD1      ARG  18  24.320  -5.823   5.479
  133    HE   ARG  18           HE       ARG  18  22.254  -7.243   5.096
  134   1HH1  ARG  18          HH21      ARG  18  24.869  -9.113   4.230
  135   2HH1  ARG  18          HH22      ARG  18  24.498 -10.450   5.267
  136   1HH2  ARG  18          HH11      ARG  18  21.976  -8.778   6.961
  137   2HH2  ARG  18          HH12      ARG  18  22.860 -10.261   6.814
  138    H    CYS  19           HN       CYS  19  22.076  -2.969   1.448
  139    HA   CYS  19           HA       CYS  19  21.298  -1.549   3.781
  140   1HB   CYS  19           HB2      CYS  19  20.579  -1.263   1.382
  141   2HB   CYS  19           HB1      CYS  19  19.518  -2.663   1.609
  142    H    GLY  20           HN       GLY  20  19.988  -2.053   5.514
  143   1HA   GLY  20           HA2      GLY  20  18.154  -4.125   5.769
  144   2HA   GLY  20           HA1      GLY  20  19.704  -4.886   6.088
  145    H    ALA  21           HN       ALA  21  20.718  -2.307   7.307
  146    HA   ALA  21           HA       ALA  21  20.516  -2.811   9.998
  147   1HB   ALA  21           HB2      ALA  21  20.646  -0.281   8.379
  148   2HB   ALA  21           HB1      ALA  21  20.603  -0.187  10.139
  149   3HB   ALA  21           HB3      ALA  21  21.912  -1.052   9.335
  150    H    ASP  22           HN       ASP  22  18.237  -0.623   8.274
  151    HA   ASP  22           HA       ASP  22  15.915  -1.628   9.666
  152   1HB   ASP  22           HB2      ASP  22  17.575  -0.120  11.242
  153   2HB   ASP  22           HB1      ASP  22  16.471   1.112  10.629
  154    H    GLY  23           HN       GLY  23  16.129  -1.191   7.013
  155   1HA   GLY  23           HA2      GLY  23  15.283   0.014   5.182
  156   2HA   GLY  23           HA1      GLY  23  14.023   0.524   6.308
  157    H    LYS  24           HN       LYS  24  17.267   1.321   7.156
  158    HA   LYS  24           HA       LYS  24  17.324   3.954   5.859
  159   1HB   LYS  24           HB2      LYS  24  16.598   3.530   8.769
  160   2HB   LYS  24           HB1      LYS  24  17.263   5.057   8.189
  161   1HG   LYS  24           HG2      LYS  24  15.384   4.990   6.421
  162   2HG   LYS  24           HG1      LYS  24  14.653   3.745   7.434
  163   1HD   LYS  24           HD2      LYS  24  15.163   5.553   9.343
  164   2HD   LYS  24           HD1      LYS  24  15.012   6.654   7.973
  165   1HE   LYS  24           HE2      LYS  24  12.764   6.222   7.704
  166   2HE   LYS  24           HE1      LYS  24  12.924   4.533   8.223
  167   1HZ   LYS  24           HZ2      LYS  24  13.332   6.835  10.049
  168   2HZ   LYS  24           HZ1      LYS  24  11.834   6.050   9.880
  169   3HZ   LYS  24           HZ3      LYS  24  13.176   5.195  10.465
  170    H    SER  25           HN       SER  25  19.035   1.485   6.307
  171    HA   SER  25           HA       SER  25  21.482   2.917   6.672
  172   1HB   SER  25           HB2      SER  25  21.888   1.433   8.895
  173   2HB   SER  25           HB1      SER  25  21.214   3.059   8.954
  174    HG   SER  25           HG       SER  25  19.780   1.832  10.043
  175    H    ALA  26           HN       ALA  26  23.359   1.188   6.972
  176    HA   ALA  26           HA       ALA  26  22.756  -1.558   6.221
  177   1HB   ALA  26           HB3      ALA  26  22.153   0.012   4.254
  178   2HB   ALA  26           HB2      ALA  26  23.896   0.171   4.042
  179   3HB   ALA  26           HB1      ALA  26  23.134  -1.405   3.914
  180    H    ALA  27           HN       ALA  27  24.716  -2.823   6.028
  181    HA   ALA  27           HA       ALA  27  27.143  -1.476   7.094
  182   1HB   ALA  27           HB2      ALA  27  26.445  -4.340   6.374
  183   2HB   ALA  27           HB1      ALA  27  28.006  -3.848   7.031
  184   3HB   ALA  27           HB3      ALA  27  26.544  -3.653   7.996
  185    H    CYS  28           HN       CYS  28  28.932  -1.054   5.736
  186    HA   CYS  28           HA       CYS  28  28.509  -1.835   2.894
  187   1HB   CYS  28           HB2      CYS  28  28.243   0.601   3.862
  188   2HB   CYS  28           HB1      CYS  28  29.987   0.625   3.690
  189    H    THR  29           HN       THR  29  30.756  -1.081   1.720
  190    HA   THR  29           HA       THR  29  33.061  -2.226   3.197
  191    HB   THR  29           HB       THR  29  31.468  -3.751   1.532
  192    HG1  THR  29           HG1      THR  29  32.969  -5.190   1.939
  193   1HG2  THR  29          HG21      THR  29  32.245  -2.322  -0.406
  194   2HG2  THR  29          HG23      THR  29  33.871  -2.944  -0.123
  195   3HG2  THR  29          HG22      THR  29  32.574  -4.046  -0.585
  196    H    LEU  30           HN       LEU  30  35.079  -1.693   2.058
  197    HA   LEU  30           HA       LEU  30  34.782   0.850   0.522
  198   1HB   LEU  30           HB2      LEU  30  37.158  -0.166   2.095
  199   2HB   LEU  30           HB1      LEU  30  36.825   1.493   1.598
  200    HG   LEU  30           HG       LEU  30  34.915  -0.007   3.395
  201   1HD1  LEU  30          HD11      LEU  30  37.500   1.342   4.080
  202   2HD1  LEU  30          HD13      LEU  30  36.146   1.435   5.205
  203   3HD1  LEU  30          HD12      LEU  30  36.801  -0.135   4.742
  204   1HD2  LEU  30          HD21      LEU  30  34.454   2.245   2.132
  205   2HD2  LEU  30          HD23      LEU  30  34.012   2.108   3.834
  206   3HD2  LEU  30          HD22      LEU  30  35.495   2.943   3.373
  207    H    LYS  31           HN       LYS  31  36.601   1.304  -0.967
  208    HA   LYS  31           HA       LYS  31  38.460  -0.451  -2.082
  209   1HB   LYS  31           HB2      LYS  31  35.723  -1.275  -2.491
  210   2HB   LYS  31           HB1      LYS  31  36.429  -0.848  -4.048
  211   1HG   LYS  31           HG2      LYS  31  38.462  -2.268  -3.268
  212   2HG   LYS  31           HG1      LYS  31  37.340  -2.942  -2.084
  213   1HD   LYS  31           HD2      LYS  31  35.781  -3.523  -3.939
  214   2HD   LYS  31           HD1      LYS  31  36.978  -2.938  -5.095
  215   1HE   LYS  31           HE2      LYS  31  38.390  -4.700  -3.402
  216   2HE   LYS  31           HE1      LYS  31  36.859  -5.515  -3.778
  217   1HZ   LYS  31           HZ2      LYS  31  37.399  -4.447  -6.134
  218   2HZ   LYS  31           HZ1      LYS  31  38.989  -4.657  -5.576
  219   3HZ   LYS  31           HZ3      LYS  31  37.950  -5.992  -5.691
  220    H    ALA  32           HN       ALA  32  38.565   0.116  -4.685
  221    HA   ALA  32           HA       ALA  32  39.161   2.810  -5.007
  222   1HB   ALA  32           HB1      ALA  32  38.743   0.487  -6.624
  223   2HB   ALA  32           HB3      ALA  32  37.965   1.853  -7.423
  224   3HB   ALA  32           HB2      ALA  32  39.679   1.929  -7.018
  225    H    CYS  33           HN       CYS  33  37.969   4.640  -5.802
  226    HA   CYS  33           HA       CYS  33  34.987   4.360  -5.812
  227   1HB   CYS  33           HB2      CYS  33  36.744   6.305  -4.287
  228   2HB   CYS  33           HB1      CYS  33  35.007   6.537  -4.486
  229    HA   PRO  34           HA       PRO  34  35.424   6.587  -9.592
  230   1HB   PRO  34           HB2      PRO  34  32.840   7.515  -9.762
  231   2HB   PRO  34           HB1      PRO  34  33.312   5.845 -10.145
  232   1HG   PRO  34           HG2      PRO  34  32.156   6.947  -7.616
  233   2HG   PRO  34           HG1      PRO  34  31.729   5.467  -8.495
  234   1HD   PRO  34           HD2      PRO  34  33.286   5.378  -6.322
  235   2HD   PRO  34           HD1      PRO  34  33.585   4.307  -7.713
  236    H    ASN  35           HN       ASN  35  35.687   8.769 -10.260
  237    HA   ASN  35           HA       ASN  35  36.501  10.727  -8.484
  238   1HB   ASN  35           HB2      ASN  35  35.500  10.566 -11.245
  239   2HB   ASN  35           HB1      ASN  35  35.302  12.162 -10.522
  240   1HD2  ASN  35          HD22      ASN  35  38.730  12.009 -12.001
  241   2HD2  ASN  35          HD21      ASN  35  37.153  11.881 -12.614
  242    H    GLN  36           HN       GLN  36  35.483  12.374  -7.286
  243    HA   GLN  36           HA       GLN  36  32.783  11.930  -6.383
  244   1HB   GLN  36           HB2      GLN  36  34.960  13.957  -6.049
  245   2HB   GLN  36           HB1      GLN  36  33.338  14.396  -5.511
  246   1HG   GLN  36           HG2      GLN  36  34.710  13.331  -3.708
  247   2HG   GLN  36           HG1      GLN  36  33.234  12.436  -4.071
  248   1HE2  GLN  36          HE22      GLN  36  36.759  10.577  -4.468
  249   2HE2  GLN  36          HE21      GLN  36  36.576  12.067  -3.674
   
  No H/Q in entry =         249
  Start of MODEL   17
    1   1H    GLU   1           HT1      GLU   1  17.814  10.801   5.636
    2   2H    GLU   1           HT3      GLU   1  17.161  10.377   7.144
    3   3H    GLU   1           HT2      GLU   1  18.108  11.780   6.992
    4    HA   GLU   1           HA       GLU   1  20.070  10.652   7.008
    5   1HB   GLU   1           HB2      GLU   1  18.304  10.053   8.916
    6   2HB   GLU   1           HB1      GLU   1  18.465   8.436   8.228
    7   1HG   GLU   1           HG2      GLU   1  20.280   8.254   9.578
    8   2HG   GLU   1           HG1      GLU   1  21.087   9.255   8.370
    9    H    ILE   2           HN       ILE   2  20.694   7.933   7.070
   10    HA   ILE   2           HA       ILE   2  20.908   7.228   4.326
   11    HB   ILE   2           HB       ILE   2  21.096   5.749   6.937
   12   1HG1  ILE   2          HG12      ILE   2  22.973   6.956   4.934
   13   2HG1  ILE   2          HG11      ILE   2  23.011   7.061   6.693
   14   1HG2  ILE   2          HG21      ILE   2  21.570   4.591   4.185
   15   2HG2  ILE   2          HG23      ILE   2  22.019   3.811   5.700
   16   3HG2  ILE   2          HG22      ILE   2  20.321   4.093   5.327
   17   1HD1  ILE   2          HD12      ILE   2  23.512   4.501   6.604
   18   2HD1  ILE   2          HD11      ILE   2  23.938   4.806   4.919
   19   3HD1  ILE   2          HD13      ILE   2  24.815   5.624   6.213
   20    H    SER   3           HN       SER   3  20.008   5.161   3.439
   21    HA   SER   3           HA       SER   3  17.623   3.971   4.413
   22   1HB   SER   3           HB2      SER   3  16.055   5.068   2.741
   23   2HB   SER   3           HB1      SER   3  16.634   6.151   4.003
   24    HG   SER   3           HG       SER   3  16.838   7.104   1.951
   25    H    CYS   4           HN       CYS   4  16.749   2.406   2.826
   26    HA   CYS   4           HA       CYS   4  17.587   2.048   0.164
   27   1HB   CYS   4           HB2      CYS   4  19.444   0.292   0.713
   28   2HB   CYS   4           HB1      CYS   4  19.860   1.999   0.773
   29    H    GLU   5           HN       GLU   5  17.482  -0.366  -0.481
   30    HA   GLU   5           HA       GLU   5  15.078  -1.556   0.409
   31   1HB   GLU   5           HB2      GLU   5  17.371  -2.177  -1.273
   32   2HB   GLU   5           HB1      GLU   5  16.779  -3.623  -0.455
   33   1HG   GLU   5           HG2      GLU   5  14.990  -3.717  -1.814
   34   2HG   GLU   5           HG1      GLU   5  14.544  -2.062  -1.396
   35    HA   PRO   6           HA       PRO   6  16.738  -2.640   4.460
   36   1HB   PRO   6           HB2      PRO   6  14.299  -3.429   5.459
   37   2HB   PRO   6           HB1      PRO   6  14.847  -1.740   5.414
   38   1HG   PRO   6           HG2      PRO   6  13.042  -3.201   3.536
   39   2HG   PRO   6           HG1      PRO   6  12.893  -1.562   4.202
   40   1HD   PRO   6           HD2      PRO   6  13.790  -1.989   1.705
   41   2HD   PRO   6           HD1      PRO   6  14.427  -0.673   2.717
   42    H    GLY   7           HN       GLY   7  17.804  -4.561   4.602
   43   1HA   GLY   7           HA2      GLY   7  17.716  -6.946   5.098
   44   2HA   GLY   7           HA1      GLY   7  16.258  -7.058   4.114
   45    H    LYS   8           HN       LYS   8  17.652  -5.283   2.038
   46    HA   LYS   8           HA       LYS   8  19.150  -7.530   0.762
   47   1HB   LYS   8           HB2      LYS   8  18.006  -5.024  -0.488
   48   2HB   LYS   8           HB1      LYS   8  18.476  -6.513  -1.308
   49   1HG   LYS   8           HG2      LYS   8  16.306  -6.412   0.800
   50   2HG   LYS   8           HG1      LYS   8  15.979  -6.243  -0.924
   51   1HD   LYS   8           HD2      LYS   8  17.665  -8.493  -0.680
   52   2HD   LYS   8           HD1      LYS   8  16.460  -8.651   0.598
   53   1HE   LYS   8           HE2      LYS   8  15.326  -7.767  -1.976
   54   2HE   LYS   8           HE1      LYS   8  16.033  -9.395  -2.016
   55   1HZ   LYS   8           HZ3      LYS   8  14.255  -8.456   0.165
   56   2HZ   LYS   8           HZ2      LYS   8  13.675  -9.285  -1.200
   57   3HZ   LYS   8           HZ1      LYS   8  14.768 -10.043  -0.142
   58    H    THR   9           HN       THR   9  20.826  -6.623  -0.894
   59    HA   THR   9           HA       THR   9  22.624  -4.771   0.594
   60    HB   THR   9           HB       THR   9  23.217  -6.534  -1.794
   61    HG1  THR   9           HG1      THR   9  23.067  -7.123   0.958
   62   1HG2  THR   9          HG22      THR   9  24.886  -4.801  -1.164
   63   2HG2  THR   9          HG21      THR   9  24.972  -5.506   0.451
   64   3HG2  THR   9          HG23      THR   9  25.503  -6.439  -0.949
   65    H    PHE  10           HN       PHE  10  23.899  -3.218  -0.829
   66    HA   PHE  10           HA       PHE  10  22.777  -2.586  -3.443
   67   1HB   PHE  10           HB2      PHE  10  21.895  -0.381  -2.769
   68   2HB   PHE  10           HB1      PHE  10  21.044  -1.695  -1.974
   69    HD1  PHE  10           HD1      PHE  10  22.832  -2.361   0.340
   70    HD2  PHE  10           HD2      PHE  10  21.799   1.443  -1.371
   71    HE1  PHE  10           HE1      PHE  10  23.266  -1.269   2.494
   72    HE2  PHE  10           HE2      PHE  10  22.219   2.521   0.813
   73    HZ   PHE  10           HZ       PHE  10  22.968   1.176   2.747
   74    H    LYS  11           HN       LYS  11  23.649  -0.024  -3.761
   75    HA   LYS  11           HA       LYS  11  26.590  -0.411  -3.521
   76   1HB   LYS  11           HB2      LYS  11  25.677   0.040  -5.716
   77   2HB   LYS  11           HB1      LYS  11  24.794   1.444  -5.114
   78   1HG   LYS  11           HG2      LYS  11  26.683   2.762  -5.000
   79   2HG   LYS  11           HG1      LYS  11  27.751   1.389  -4.702
   80   1HD   LYS  11           HD2      LYS  11  28.236   1.240  -6.892
   81   2HD   LYS  11           HD1      LYS  11  26.524   1.099  -7.291
   82   1HE   LYS  11           HE2      LYS  11  26.785   3.791  -6.663
   83   2HE   LYS  11           HE1      LYS  11  28.288   3.426  -7.533
   84   1HZ   LYS  11           HZ3      LYS  11  26.786   2.138  -9.117
   85   2HZ   LYS  11           HZ2      LYS  11  25.498   2.999  -8.419
   86   3HZ   LYS  11           HZ1      LYS  11  26.745   3.829  -9.220
   87    H    ASP  12           HN       ASP  12  24.888   2.694  -3.666
   88    HA   ASP  12           HA       ASP  12  25.031   4.580  -2.244
   89   1HB   ASP  12           HB2      ASP  12  24.276   2.494  -0.739
   90   2HB   ASP  12           HB1      ASP  12  25.857   2.771  -0.009
   91    H    LYS  13           HN       LYS  13  26.734   5.876  -1.082
   92    HA   LYS  13           HA       LYS  13  28.982   6.650  -1.046
   93   1HB   LYS  13           HB2      LYS  13  29.595   3.742  -0.473
   94   2HB   LYS  13           HB1      LYS  13  30.374   5.172   0.202
   95   1HG   LYS  13           HG2      LYS  13  27.638   5.420   0.844
   96   2HG   LYS  13           HG1      LYS  13  28.061   3.740   1.178
   97   1HD   LYS  13           HD2      LYS  13  28.852   4.551   3.149
   98   2HD   LYS  13           HD1      LYS  13  30.240   5.064   2.189
   99   1HE   LYS  13           HE2      LYS  13  29.634   7.279   2.261
  100   2HE   LYS  13           HE1      LYS  13  27.900   6.907   2.184
  101   1HZ   LYS  13           HZ3      LYS  13  29.652   6.392   4.530
  102   2HZ   LYS  13           HZ2      LYS  13  28.567   7.692   4.397
  103   3HZ   LYS  13           HZ1      LYS  13  27.984   6.097   4.443
  104    H    CYS  14           HN       CYS  14  31.374   5.310  -1.781
  105    HA   CYS  14           HA       CYS  14  30.896   4.966  -4.708
  106   1HB   CYS  14           HB2      CYS  14  33.054   5.855  -4.991
  107   2HB   CYS  14           HB1      CYS  14  32.450   6.745  -3.599
  108    H    ASN  15           HN       ASN  15  30.811   2.873  -2.334
  109    HA   ASN  15           HA       ASN  15  32.535   0.891  -3.749
  110   1HB   ASN  15           HB2      ASN  15  32.254   1.594  -0.831
  111   2HB   ASN  15           HB1      ASN  15  32.864   0.008  -1.322
  112   1HD2  ASN  15          HD22      ASN  15  35.406   3.067  -1.370
  113   2HD2  ASN  15          HD21      ASN  15  33.978   3.007  -0.452
  114    H    THR  16           HN       THR  16  31.176  -0.582  -1.095
  115    HA   THR  16           HA       THR  16  28.565  -1.070  -2.471
  116    HB   THR  16           HB       THR  16  29.689  -3.552  -1.573
  117    HG1  THR  16           HG1      THR  16  31.675  -2.506  -2.002
  118   1HG2  THR  16          HG21      THR  16  27.886  -2.897  -3.343
  119   2HG2  THR  16          HG23      THR  16  29.263  -2.728  -4.432
  120   3HG2  THR  16          HG22      THR  16  28.930  -4.281  -3.665
  121    H    CYS  17           HN       CYS  17  26.946  -1.158  -1.023
  122    HA   CYS  17           HA       CYS  17  27.623  -1.612   1.839
  123   1HB   CYS  17           HB2      CYS  17  25.352  -0.154   0.517
  124   2HB   CYS  17           HB1      CYS  17  25.530  -0.373   2.257
  125    H    ARG  18           HN       ARG  18  25.576  -2.304   3.074
  126    HA   ARG  18           HA       ARG  18  24.019  -4.423   1.684
  127   1HB   ARG  18           HB2      ARG  18  25.864  -5.627   2.638
  128   2HB   ARG  18           HB1      ARG  18  25.828  -4.648   4.105
  129   1HG   ARG  18           HG2      ARG  18  23.630  -5.599   4.695
  130   2HG   ARG  18           HG1      ARG  18  23.658  -6.578   3.226
  131   1HD   ARG  18           HD2      ARG  18  25.989  -7.400   4.185
  132   2HD   ARG  18           HD1      ARG  18  25.286  -6.881   5.730
  133    HE   ARG  18           HE       ARG  18  23.934  -8.804   5.582
  134   1HH1  ARG  18          HH11      ARG  18  25.576  -9.007   2.779
  135   2HH1  ARG  18          HH12      ARG  18  24.266  -9.561   1.789
  136   1HH2  ARG  18          HH21      ARG  18  21.836  -8.895   4.169
  137   2HH2  ARG  18          HH22      ARG  18  22.150  -9.497   2.576
  138    H    CYS  19           HN       CYS  19  22.144  -3.064   1.940
  139    HA   CYS  19           HA       CYS  19  21.564  -1.529   4.247
  140   1HB   CYS  19           HB2      CYS  19  20.630  -1.442   1.896
  141   2HB   CYS  19           HB1      CYS  19  19.567  -2.789   2.358
  142    H    GLY  20           HN       GLY  20  20.579  -1.948   6.161
  143   1HA   GLY  20           HA2      GLY  20  20.322  -4.778   6.926
  144   2HA   GLY  20           HA1      GLY  20  20.180  -3.397   8.008
  145    H    ALA  21           HN       ALA  21  18.384  -5.284   8.450
  146    HA   ALA  21           HA       ALA  21  16.008  -5.558   7.044
  147   1HB   ALA  21           HB2      ALA  21  16.654  -6.607   9.215
  148   2HB   ALA  21           HB1      ALA  21  16.338  -5.071  10.021
  149   3HB   ALA  21           HB3      ALA  21  15.017  -5.951   9.252
  150    H    ASP  22           HN       ASP  22  17.215  -2.684   8.611
  151    HA   ASP  22           HA       ASP  22  14.575  -1.331   8.339
  152   1HB   ASP  22           HB2      ASP  22  15.519   0.281   9.833
  153   2HB   ASP  22           HB1      ASP  22  16.097  -1.279  10.418
  154    H    GLY  23           HN       GLY  23  14.294   0.346   6.831
  155   1HA   GLY  23           HA2      GLY  23  16.309   0.519   4.700
  156   2HA   GLY  23           HA1      GLY  23  14.719   1.285   4.688
  157    H    LYS  24           HN       LYS  24  17.567   1.507   6.865
  158    HA   LYS  24           HA       LYS  24  17.862   4.375   6.209
  159   1HB   LYS  24           HB2      LYS  24  16.678   3.243   8.715
  160   2HB   LYS  24           HB1      LYS  24  17.685   4.685   8.849
  161   1HG   LYS  24           HG2      LYS  24  15.945   5.936   8.172
  162   2HG   LYS  24           HG1      LYS  24  15.956   5.083   6.629
  163   1HD   LYS  24           HD2      LYS  24  13.749   4.887   7.708
  164   2HD   LYS  24           HD1      LYS  24  14.534   3.309   7.601
  165   1HE   LYS  24           HE2      LYS  24  15.444   3.851   9.990
  166   2HE   LYS  24           HE1      LYS  24  14.134   5.048  10.033
  167   1HZ   LYS  24           HZ1      LYS  24  13.749   2.213   9.238
  168   2HZ   LYS  24           HZ3      LYS  24  13.473   2.787  10.809
  169   3HZ   LYS  24           HZ2      LYS  24  12.543   3.377   9.516
  170    H    SER  25           HN       SER  25  19.379   1.517   6.722
  171    HA   SER  25           HA       SER  25  21.872   2.887   7.286
  172   1HB   SER  25           HB2      SER  25  22.085   1.186   9.364
  173   2HB   SER  25           HB1      SER  25  21.422   2.804   9.548
  174    HG   SER  25           HG       SER  25  20.234   0.489   9.993
  175    H    ALA  26           HN       ALA  26  23.705   1.199   7.390
  176    HA   ALA  26           HA       ALA  26  23.173  -1.521   6.557
  177   1HB   ALA  26           HB2      ALA  26  22.459   0.072   4.634
  178   2HB   ALA  26           HB1      ALA  26  24.192   0.262   4.363
  179   3HB   ALA  26           HB3      ALA  26  23.450  -1.327   4.249
  180    H    ALA  27           HN       ALA  27  25.148  -2.722   6.292
  181    HA   ALA  27           HA       ALA  27  27.587  -1.303   7.246
  182   1HB   ALA  27           HB1      ALA  27  26.625  -4.114   6.943
  183   2HB   ALA  27           HB3      ALA  27  28.365  -3.844   6.852
  184   3HB   ALA  27           HB2      ALA  27  27.472  -3.364   8.295
  185    H    CYS  28           HN       CYS  28  29.337  -0.940   5.800
  186    HA   CYS  28           HA       CYS  28  28.790  -1.802   3.000
  187   1HB   CYS  28           HB2      CYS  28  28.473   0.650   3.896
  188   2HB   CYS  28           HB1      CYS  28  30.208   0.733   3.665
  189    H    THR  29           HN       THR  29  30.918  -1.067   1.677
  190    HA   THR  29           HA       THR  29  33.347  -2.050   3.074
  191    HB   THR  29           HB       THR  29  31.755  -3.678   1.513
  192    HG1  THR  29           HG1      THR  29  33.264  -4.921   2.211
  193   1HG2  THR  29          HG21      THR  29  32.564  -2.078  -0.417
  194   2HG2  THR  29          HG23      THR  29  34.042  -3.033  -0.315
  195   3HG2  THR  29          HG22      THR  29  32.507  -3.821  -0.682
  196    H    LEU  30           HN       LEU  30  35.273  -1.426   1.851
  197    HA   LEU  30           HA       LEU  30  34.797   1.105   0.360
  198   1HB   LEU  30           HB2      LEU  30  37.168   0.016   1.900
  199   2HB   LEU  30           HB1      LEU  30  37.093   1.615   1.159
  200    HG   LEU  30           HG       LEU  30  36.489   1.959   3.434
  201   1HD1  LEU  30          HD11      LEU  30  34.957   2.970   1.694
  202   2HD1  LEU  30          HD13      LEU  30  33.846   1.635   2.000
  203   3HD1  LEU  30          HD12      LEU  30  34.232   2.774   3.290
  204   1HD2  LEU  30          HD23      LEU  30  35.896  -0.657   3.553
  205   2HD2  LEU  30          HD22      LEU  30  35.310   0.493   4.754
  206   3HD2  LEU  30          HD21      LEU  30  34.258  -0.012   3.431
  207    H    LYS  31           HN       LYS  31  36.535   1.648  -1.208
  208    HA   LYS  31           HA       LYS  31  38.303  -0.039  -2.540
  209   1HB   LYS  31           HB2      LYS  31  35.489  -0.754  -2.859
  210   2HB   LYS  31           HB1      LYS  31  36.243  -0.406  -4.416
  211   1HG   LYS  31           HG2      LYS  31  37.836  -2.069  -2.542
  212   2HG   LYS  31           HG1      LYS  31  36.395  -2.830  -3.219
  213   1HD   LYS  31           HD2      LYS  31  37.364  -1.737  -5.470
  214   2HD   LYS  31           HD1      LYS  31  38.882  -1.919  -4.590
  215   1HE   LYS  31           HE2      LYS  31  38.804  -4.220  -4.665
  216   2HE   LYS  31           HE1      LYS  31  37.033  -4.262  -4.558
  217   1HZ   LYS  31           HZ2      LYS  31  37.149  -3.090  -6.832
  218   2HZ   LYS  31           HZ1      LYS  31  38.730  -3.707  -6.906
  219   3HZ   LYS  31           HZ3      LYS  31  37.413  -4.767  -6.772
  220    H    ALA  32           HN       ALA  32  38.762   0.853  -4.792
  221    HA   ALA  32           HA       ALA  32  38.905   3.613  -4.947
  222   1HB   ALA  32           HB2      ALA  32  39.714   1.623  -6.488
  223   2HB   ALA  32           HB1      ALA  32  38.270   2.029  -7.417
  224   3HB   ALA  32           HB3      ALA  32  39.527   3.241  -7.165
  225    H    CYS  33           HN       CYS  33  37.589   5.261  -5.888
  226    HA   CYS  33           HA       CYS  33  34.673   4.599  -5.990
  227   1HB   CYS  33           HB2      CYS  33  36.088   7.276  -5.767
  228   2HB   CYS  33           HB1      CYS  33  34.384   6.962  -5.461
  229    HA   PRO  34           HA       PRO  34  34.732   5.112 -10.368
  230   1HB   PRO  34           HB2      PRO  34  32.111   5.871 -10.719
  231   2HB   PRO  34           HB1      PRO  34  32.615   4.196 -10.414
  232   1HG   PRO  34           HG2      PRO  34  31.582   6.235  -8.487
  233   2HG   PRO  34           HG1      PRO  34  31.155   4.521  -8.647
  234   1HD   PRO  34           HD2      PRO  34  32.846   5.349  -6.749
  235   2HD   PRO  34           HD1      PRO  34  33.098   3.802  -7.590
  236    H    ASN  35           HN       ASN  35  36.051   6.925 -10.729
  237    HA   ASN  35           HA       ASN  35  35.212   9.635 -10.050
  238   1HB   ASN  35           HB2      ASN  35  37.555   8.251 -10.689
  239   2HB   ASN  35           HB1      ASN  35  37.313   9.340 -12.056
  240   1HD2  ASN  35          HD22      ASN  35  38.671  10.852  -8.606
  241   2HD2  ASN  35          HD21      ASN  35  38.614   9.188  -8.936
  242    H    GLN  36           HN       GLN  36  33.761  10.787 -11.261
  243    HA   GLN  36           HA       GLN  36  32.703   9.907 -13.772
  244   1HB   GLN  36           HB2      GLN  36  31.709  11.458 -12.006
  245   2HB   GLN  36           HB1      GLN  36  32.748  12.725 -12.663
  246   1HG   GLN  36           HG2      GLN  36  31.397  13.036 -14.445
  247   2HG   GLN  36           HG1      GLN  36  31.305  11.303 -14.763
  248   1HE2  GLN  36          HE22      GLN  36  28.064  12.999 -13.321
  249   2HE2  GLN  36          HE21      GLN  36  29.264  13.761 -14.246
   
  No H/Q in entry =         249
  Start of MODEL   18
    1   1H    GLU   1           HT2      GLU   1  19.149   9.050   7.149
    2   2H    GLU   1           HT1      GLU   1  19.795  10.186   8.233
    3   3H    GLU   1           HT3      GLU   1  19.013  10.711   6.823
    4    HA   GLU   1           HA       GLU   1  21.118  10.888   6.033
    5   1HB   GLU   1           HB2      GLU   1  21.488   9.254   8.451
    6   2HB   GLU   1           HB1      GLU   1  22.675   8.915   7.191
    7   1HG   GLU   1           HG2      GLU   1  23.068  11.404   7.010
    8   2HG   GLU   1           HG1      GLU   1  22.047  11.605   8.434
    9    H    ILE   2           HN       ILE   2  20.140   7.511   6.730
   10    HA   ILE   2           HA       ILE   2  20.777   6.847   3.869
   11    HB   ILE   2           HB       ILE   2  21.118   5.361   6.462
   12   1HG1  ILE   2          HG12      ILE   2  22.897   6.238   4.190
   13   2HG1  ILE   2          HG11      ILE   2  23.084   6.559   5.914
   14   1HG2  ILE   2          HG22      ILE   2  21.123   4.186   3.680
   15   2HG2  ILE   2          HG21      ILE   2  21.689   3.349   5.121
   16   3HG2  ILE   2          HG23      ILE   2  19.993   3.806   4.979
   17   1HD1  ILE   2          HD12      ILE   2  23.122   3.798   5.819
   18   2HD1  ILE   2          HD11      ILE   2  23.968   4.241   4.337
   19   3HD1  ILE   2          HD13      ILE   2  24.552   4.828   5.893
   20    H    SER   3           HN       SER   3  19.524   4.898   3.151
   21    HA   SER   3           HA       SER   3  17.181   3.986   4.465
   22   1HB   SER   3           HB2      SER   3  17.001   6.457   2.792
   23   2HB   SER   3           HB1      SER   3  15.673   5.307   2.675
   24    HG   SER   3           HG       SER   3  15.253   5.567   4.800
   25    H    CYS   4           HN       CYS   4  16.078   2.395   3.182
   26    HA   CYS   4           HA       CYS   4  16.258   1.988   0.398
   27   1HB   CYS   4           HB2      CYS   4  18.129   0.214   0.469
   28   2HB   CYS   4           HB1      CYS   4  18.635   1.896   0.551
   29    H    GLU   5           HN       GLU   5  16.202  -0.577  -0.057
   30    HA   GLU   5           HA       GLU   5  14.011  -1.631   1.551
   31   1HB   GLU   5           HB2      GLU   5  15.687  -2.500  -0.794
   32   2HB   GLU   5           HB1      GLU   5  14.617  -3.665  -0.014
   33   1HG   GLU   5           HG2      GLU   5  13.449  -2.568  -1.873
   34   2HG   GLU   5           HG1      GLU   5  12.713  -2.104  -0.338
   35    HA   PRO   6           HA       PRO   6  17.022  -3.143   4.521
   36   1HB   PRO   6           HB2      PRO   6  15.131  -4.143   6.250
   37   2HB   PRO   6           HB1      PRO   6  15.619  -2.434   6.202
   38   1HG   PRO   6           HG2      PRO   6  13.256  -3.760   4.940
   39   2HG   PRO   6           HG1      PRO   6  13.346  -2.224   5.824
   40   1HD   PRO   6           HD2      PRO   6  13.274  -2.276   3.148
   41   2HD   PRO   6           HD1      PRO   6  14.267  -1.086   4.023
   42    H    GLY   7           HN       GLY   7  18.018  -5.100   4.441
   43   1HA   GLY   7           HA2      GLY   7  17.841  -7.559   4.672
   44   2HA   GLY   7           HA1      GLY   7  16.367  -7.479   3.709
   45    H    LYS   8           HN       LYS   8  17.760  -5.437   1.871
   46    HA   LYS   8           HA       LYS   8  19.220  -7.525   0.305
   47   1HB   LYS   8           HB2      LYS   8  18.726  -5.974  -1.603
   48   2HB   LYS   8           HB1      LYS   8  17.288  -6.589  -0.792
   49   1HG   LYS   8           HG2      LYS   8  16.732  -4.544   0.079
   50   2HG   LYS   8           HG1      LYS   8  18.416  -4.055   0.275
   51   1HD   LYS   8           HD2      LYS   8  16.844  -4.134  -2.318
   52   2HD   LYS   8           HD1      LYS   8  17.411  -2.694  -1.473
   53   1HE   LYS   8           HE2      LYS   8  19.787  -3.709  -1.741
   54   2HE   LYS   8           HE1      LYS   8  19.041  -4.750  -2.968
   55   1HZ   LYS   8           HZ3      LYS   8  17.966  -2.395  -3.586
   56   2HZ   LYS   8           HZ2      LYS   8  19.474  -1.877  -2.999
   57   3HZ   LYS   8           HZ1      LYS   8  19.394  -2.976  -4.292
   58    H    THR   9           HN       THR   9  20.834  -6.398  -1.286
   59    HA   THR   9           HA       THR   9  22.591  -4.582   0.329
   60    HB   THR   9           HB       THR   9  23.454  -6.612  -1.736
   61    HG1  THR   9           HG1      THR   9  22.882  -6.901   1.007
   62   1HG2  THR   9          HG21      THR   9  25.042  -4.812  -1.014
   63   2HG2  THR   9          HG23      THR   9  24.916  -5.426   0.634
   64   3HG2  THR   9          HG22      THR   9  25.601  -6.440  -0.635
   65    H    PHE  10           HN       PHE  10  24.025  -3.194  -1.023
   66    HA   PHE  10           HA       PHE  10  23.369  -2.849  -3.855
   67   1HB   PHE  10           HB2      PHE  10  22.534  -0.480  -3.432
   68   2HB   PHE  10           HB1      PHE  10  21.440  -1.771  -2.962
   69    HD1  PHE  10           HD2      PHE  10  24.228  -1.611  -0.698
   70    HD2  PHE  10           HD1      PHE  10  20.473   0.258  -1.627
   71    HE1  PHE  10           HE2      PHE  10  24.088  -0.733   1.592
   72    HE2  PHE  10           HE1      PHE  10  20.384   1.174   0.670
   73    HZ   PHE  10           HZ       PHE  10  22.215   0.688   2.258
   74    H    LYS  11           HN       LYS  11  24.218  -0.253  -4.184
   75    HA   LYS  11           HA       LYS  11  27.107  -0.482  -3.461
   76   1HB   LYS  11           HB2      LYS  11  25.903  -0.151  -5.831
   77   2HB   LYS  11           HB1      LYS  11  25.970   1.545  -5.355
   78   1HG   LYS  11           HG2      LYS  11  28.186   1.653  -5.756
   79   2HG   LYS  11           HG1      LYS  11  28.485   0.192  -4.816
   80   1HD   LYS  11           HD2      LYS  11  27.193  -0.162  -7.475
   81   2HD   LYS  11           HD1      LYS  11  28.899   0.284  -7.468
   82   1HE   LYS  11           HE2      LYS  11  29.558  -1.718  -6.522
   83   2HE   LYS  11           HE1      LYS  11  28.047  -1.899  -5.607
   84   1HZ   LYS  11           HZ1      LYS  11  27.041  -1.976  -8.008
   85   2HZ   LYS  11           HZ3      LYS  11  28.596  -2.512  -8.423
   86   3HZ   LYS  11           HZ2      LYS  11  27.674  -3.380  -7.291
   87    H    ASP  12           HN       ASP  12  24.602   2.071  -3.775
   88    HA   ASP  12           HA       ASP  12  24.256   4.049  -2.542
   89   1HB   ASP  12           HB2      ASP  12  23.933   2.430  -0.762
   90   2HB   ASP  12           HB1      ASP  12  25.673   2.278  -0.535
   91    H    LYS  13           HN       LYS  13  27.076   3.644  -0.564
   92    HA   LYS  13           HA       LYS  13  28.238   6.106  -1.268
   93   1HB   LYS  13           HB2      LYS  13  29.594   3.601  -0.231
   94   2HB   LYS  13           HB1      LYS  13  30.162   5.256  -0.018
   95   1HG   LYS  13           HG2      LYS  13  27.656   5.511   0.967
   96   2HG   LYS  13           HG1      LYS  13  27.963   3.822   1.370
   97   1HD   LYS  13           HD2      LYS  13  29.981   4.409   2.573
   98   2HD   LYS  13           HD1      LYS  13  29.864   6.084   2.038
   99   1HE   LYS  13           HE2      LYS  13  28.760   6.439   4.004
  100   2HE   LYS  13           HE1      LYS  13  27.387   5.634   3.221
  101   1HZ   LYS  13           HZ2      LYS  13  28.669   3.497   3.875
  102   2HZ   LYS  13           HZ1      LYS  13  29.414   4.497   5.029
  103   3HZ   LYS  13           HZ3      LYS  13  27.730   4.293   5.048
  104    H    CYS  14           HN       CYS  14  30.981   5.377  -1.777
  105    HA   CYS  14           HA       CYS  14  30.824   4.986  -4.702
  106   1HB   CYS  14           HB2      CYS  14  33.142   5.745  -4.613
  107   2HB   CYS  14           HB1      CYS  14  32.169   6.778  -3.563
  108    H    ASN  15           HN       ASN  15  31.146   2.964  -2.021
  109    HA   ASN  15           HA       ASN  15  32.778   1.008  -3.588
  110   1HB   ASN  15           HB2      ASN  15  32.521   1.719  -0.684
  111   2HB   ASN  15           HB1      ASN  15  33.037   0.086  -1.124
  112   1HD2  ASN  15          HD22      ASN  15  35.762   2.974  -1.261
  113   2HD2  ASN  15          HD21      ASN  15  34.334   3.031  -0.343
  114    H    THR  16           HN       THR  16  31.341  -0.451  -0.887
  115    HA   THR  16           HA       THR  16  28.860  -1.100  -2.433
  116    HB   THR  16           HB       THR  16  29.823  -3.525  -1.386
  117    HG1  THR  16           HG1      THR  16  31.769  -2.244  -2.990
  118   1HG2  THR  16          HG22      THR  16  29.121  -2.277  -3.943
  119   2HG2  THR  16          HG21      THR  16  30.299  -3.580  -4.103
  120   3HG2  THR  16          HG23      THR  16  28.740  -3.890  -3.340
  121    H    CYS  17           HN       CYS  17  27.155  -1.002  -1.085
  122    HA   CYS  17           HA       CYS  17  27.619  -1.420   1.826
  123   1HB   CYS  17           HB2      CYS  17  25.430   0.068   0.401
  124   2HB   CYS  17           HB1      CYS  17  25.672  -0.008   2.144
  125    H    ARG  18           HN       ARG  18  25.451  -2.017   2.942
  126    HA   ARG  18           HA       ARG  18  23.929  -4.072   1.427
  127   1HB   ARG  18           HB2      ARG  18  25.693  -5.330   2.457
  128   2HB   ARG  18           HB1      ARG  18  25.562  -4.410   3.955
  129   1HG   ARG  18           HG2      ARG  18  22.997  -5.528   3.394
  130   2HG   ARG  18           HG1      ARG  18  24.192  -6.815   3.235
  131   1HD   ARG  18           HD2      ARG  18  25.134  -5.784   5.494
  132   2HD   ARG  18           HD1      ARG  18  23.467  -5.200   5.655
  133    HE   ARG  18           HE       ARG  18  22.730  -7.578   5.341
  134   1HH1  ARG  18          HH21      ARG  18  25.868  -7.961   4.648
  135   2HH1  ARG  18          HH22      ARG  18  26.261  -9.057   5.930
  136   1HH2  ARG  18          HH11      ARG  18  23.288  -8.539   7.640
  137   2HH2  ARG  18          HH12      ARG  18  24.800  -9.384   7.624
  138    H    CYS  19           HN       CYS  19  21.955  -2.920   1.616
  139    HA   CYS  19           HA       CYS  19  21.160  -1.278   3.755
  140   1HB   CYS  19           HB2      CYS  19  20.115  -1.624   1.481
  141   2HB   CYS  19           HB1      CYS  19  19.374  -3.098   2.116
  142    H    GLY  20           HN       GLY  20  20.644  -1.686   5.842
  143   1HA   GLY  20           HA2      GLY  20  20.624  -4.477   6.774
  144   2HA   GLY  20           HA1      GLY  20  20.576  -3.044   7.797
  145    H    ALA  21           HN       ALA  21  18.921  -5.073   8.477
  146    HA   ALA  21           HA       ALA  21  16.368  -5.341   7.388
  147   1HB   ALA  21           HB2      ALA  21  17.457  -6.401   9.452
  148   2HB   ALA  21           HB1      ALA  21  16.952  -4.961  10.335
  149   3HB   ALA  21           HB3      ALA  21  15.743  -6.014   9.603
  150    H    ASP  22           HN       ASP  22  17.777  -2.547   8.916
  151    HA   ASP  22           HA       ASP  22  15.177  -1.193   9.284
  152   1HB   ASP  22           HB2      ASP  22  18.028  -0.842  10.014
  153   2HB   ASP  22           HB1      ASP  22  17.144   0.658   9.725
  154    H    GLY  23           HN       GLY  23  14.418   0.419   7.881
  155   1HA   GLY  23           HA2      GLY  23  15.689   0.552   5.237
  156   2HA   GLY  23           HA1      GLY  23  14.160   1.307   5.691
  157    H    LYS  24           HN       LYS  24  17.406   1.637   7.158
  158    HA   LYS  24           HA       LYS  24  17.680   4.383   6.150
  159   1HB   LYS  24           HB2      LYS  24  16.717   3.661   8.887
  160   2HB   LYS  24           HB1      LYS  24  17.808   5.038   8.737
  161   1HG   LYS  24           HG2      LYS  24  15.933   5.328   6.653
  162   2HG   LYS  24           HG1      LYS  24  14.997   4.871   8.077
  163   1HD   LYS  24           HD2      LYS  24  16.914   7.199   7.804
  164   2HD   LYS  24           HD1      LYS  24  15.178   7.268   8.111
  165   1HE   LYS  24           HE2      LYS  24  16.275   5.618  10.145
  166   2HE   LYS  24           HE1      LYS  24  17.316   7.052  10.032
  167   1HZ   LYS  24           HZ1      LYS  24  14.346   7.108  10.133
  168   2HZ   LYS  24           HZ3      LYS  24  15.362   7.441  11.449
  169   3HZ   LYS  24           HZ2      LYS  24  15.375   8.459  10.088
  170    H    SER  25           HN       SER  25  19.210   1.677   6.480
  171    HA   SER  25           HA       SER  25  21.741   3.011   6.939
  172   1HB   SER  25           HB2      SER  25  22.126   1.178   8.870
  173   2HB   SER  25           HB1      SER  25  21.448   2.765   9.220
  174    HG   SER  25           HG       SER  25  20.285   0.763   9.957
  175    H    ALA  26           HN       ALA  26  23.552   1.204   6.948
  176    HA   ALA  26           HA       ALA  26  22.941  -1.390   5.847
  177   1HB   ALA  26           HB2      ALA  26  22.197   0.204   4.039
  178   2HB   ALA  26           HB1      ALA  26  23.872   0.730   3.893
  179   3HB   ALA  26           HB3      ALA  26  23.437  -0.933   3.518
  180    H    ALA  27           HN       ALA  27  24.816  -2.615   6.170
  181    HA   ALA  27           HA       ALA  27  27.266  -1.280   7.044
  182   1HB   ALA  27           HB3      ALA  27  26.124  -3.916   6.982
  183   2HB   ALA  27           HB2      ALA  27  27.749  -3.976   6.295
  184   3HB   ALA  27           HB1      ALA  27  27.502  -3.341   7.922
  185    H    CYS  28           HN       CYS  28  29.055  -0.815   5.748
  186    HA   CYS  28           HA       CYS  28  28.815  -1.648   2.900
  187   1HB   CYS  28           HB2      CYS  28  28.309   0.778   3.749
  188   2HB   CYS  28           HB1      CYS  28  30.053   0.932   3.745
  189    H    THR  29           HN       THR  29  30.999  -0.939   1.769
  190    HA   THR  29           HA       THR  29  33.337  -1.763   3.405
  191    HB   THR  29           HB       THR  29  31.941  -3.607   1.991
  192    HG1  THR  29           HG1      THR  29  33.594  -4.751   2.551
  193   1HG2  THR  29          HG23      THR  29  32.337  -2.307  -0.134
  194   2HG2  THR  29          HG22      THR  29  34.056  -2.659   0.045
  195   3HG2  THR  29          HG21      THR  29  32.906  -3.975  -0.189
  196    H    LEU  30           HN       LEU  30  35.350  -1.364   2.152
  197    HA   LEU  30           HA       LEU  30  35.029   1.119   0.542
  198   1HB   LEU  30           HB2      LEU  30  37.246  -0.047   2.243
  199   2HB   LEU  30           HB1      LEU  30  37.405   1.452   1.326
  200    HG   LEU  30           HG       LEU  30  36.762   2.063   3.560
  201   1HD1  LEU  30          HD13      LEU  30  35.396   2.863   1.368
  202   2HD1  LEU  30          HD12      LEU  30  34.070   2.201   2.324
  203   3HD1  LEU  30          HD11      LEU  30  35.074   3.494   2.983
  204   1HD2  LEU  30          HD22      LEU  30  35.674  -0.380   3.805
  205   2HD2  LEU  30          HD21      LEU  30  35.226   0.958   4.864
  206   3HD2  LEU  30          HD23      LEU  30  34.203   0.542   3.487
  207    H    LYS  31           HN       LYS  31  36.771   1.491  -1.055
  208    HA   LYS  31           HA       LYS  31  38.501  -0.291  -2.284
  209   1HB   LYS  31           HB2      LYS  31  35.691  -1.037  -2.533
  210   2HB   LYS  31           HB1      LYS  31  36.422  -0.786  -4.118
  211   1HG   LYS  31           HG2      LYS  31  38.393  -2.192  -2.846
  212   2HG   LYS  31           HG1      LYS  31  36.947  -2.894  -2.119
  213   1HD   LYS  31           HD2      LYS  31  36.787  -4.169  -3.976
  214   2HD   LYS  31           HD1      LYS  31  36.301  -2.698  -4.820
  215   1HE   LYS  31           HE2      LYS  31  38.336  -2.471  -5.857
  216   2HE   LYS  31           HE1      LYS  31  39.230  -3.061  -4.444
  217   1HZ   LYS  31           HZ3      LYS  31  37.445  -4.845  -5.979
  218   2HZ   LYS  31           HZ2      LYS  31  39.057  -4.605  -6.460
  219   3HZ   LYS  31           HZ1      LYS  31  38.713  -5.262  -4.932
  220    H    ALA  32           HN       ALA  32  38.304   0.201  -4.935
  221    HA   ALA  32           HA       ALA  32  39.005   2.823  -5.424
  222   1HB   ALA  32           HB1      ALA  32  37.363   0.911  -7.112
  223   2HB   ALA  32           HB3      ALA  32  38.118   2.371  -7.749
  224   3HB   ALA  32           HB2      ALA  32  39.119   1.073  -7.098
  225    H    CYS  33           HN       CYS  33  37.843   4.734  -6.121
  226    HA   CYS  33           HA       CYS  33  34.890   4.745  -5.890
  227   1HB   CYS  33           HB2      CYS  33  36.837   6.097  -4.015
  228   2HB   CYS  33           HB1      CYS  33  35.183   6.680  -4.199
  229    HA   PRO  34           HA       PRO  34  36.378   7.528  -9.191
  230   1HB   PRO  34           HB2      PRO  34  34.003   7.414 -10.578
  231   2HB   PRO  34           HB1      PRO  34  35.299   6.212 -10.753
  232   1HG   PRO  34           HG2      PRO  34  32.818   6.085  -9.091
  233   2HG   PRO  34           HG1      PRO  34  33.547   4.839 -10.121
  234   1HD   PRO  34           HD2      PRO  34  33.864   4.804  -7.460
  235   2HD   PRO  34           HD1      PRO  34  35.177   4.308  -8.554
  236    H    ASN  35           HN       ASN  35  36.354   9.650  -8.547
  237    HA   ASN  35           HA       ASN  35  35.532  11.732  -7.785
  238   1HB   ASN  35           HB2      ASN  35  34.221  11.618  -9.793
  239   2HB   ASN  35           HB1      ASN  35  33.125  10.432  -9.085
  240   1HD2  ASN  35          HD22      ASN  35  32.413  14.364  -8.525
  241   2HD2  ASN  35          HD21      ASN  35  33.653  13.807  -9.542
  242    H    GLN  36           HN       GLN  36  33.808  12.685  -6.236
  243    HA   GLN  36           HA       GLN  36  33.016  10.618  -4.206
  244   1HB   GLN  36           HB2      GLN  36  35.009  12.058  -3.656
  245   2HB   GLN  36           HB1      GLN  36  33.951  13.468  -3.745
  246   1HG   GLN  36           HG2      GLN  36  32.524  12.500  -1.971
  247   2HG   GLN  36           HG1      GLN  36  33.606  11.112  -1.867
  248   1HE2  GLN  36          HE22      GLN  36  34.638  13.631   0.720
  249   2HE2  GLN  36          HE21      GLN  36  33.200  12.788   0.401
   
  No H/Q in entry =         249
  Start of MODEL   19
    1   1H    GLU   1           HT2      GLU   1  21.523  10.561   2.691
    2   2H    GLU   1           HT1      GLU   1  20.326  10.807   3.871
    3   3H    GLU   1           HT3      GLU   1  21.827  11.584   4.012
    4    HA   GLU   1           HA       GLU   1  22.954   9.612   4.549
    5   1HB   GLU   1           HB2      GLU   1  20.243   9.347   5.859
    6   2HB   GLU   1           HB1      GLU   1  21.833   9.088   6.575
    7   1HG   GLU   1           HG2      GLU   1  20.849  11.777   5.573
    8   2HG   GLU   1           HG1      GLU   1  20.782  11.261   7.259
    9    H    ILE   2           HN       ILE   2  21.657   7.211   5.539
   10    HA   ILE   2           HA       ILE   2  21.457   5.706   3.011
   11    HB   ILE   2           HB       ILE   2  21.231   4.876   5.917
   12   1HG1  ILE   2          HG12      ILE   2  23.588   5.073   4.004
   13   2HG1  ILE   2          HG11      ILE   2  23.397   5.904   5.549
   14   1HG2  ILE   2          HG21      ILE   2  21.366   3.408   3.316
   15   2HG2  ILE   2          HG23      ILE   2  22.114   2.695   4.733
   16   3HG2  ILE   2          HG22      ILE   2  20.394   3.067   4.748
   17   1HD1  ILE   2          HD12      ILE   2  23.073   3.223   6.208
   18   2HD1  ILE   2          HD11      ILE   2  24.362   3.199   5.005
   19   3HD1  ILE   2          HD13      ILE   2  24.535   4.177   6.463
   20    H    SER   3           HN       SER   3  19.720   3.953   2.895
   21    HA   SER   3           HA       SER   3  17.242   4.245   4.294
   22   1HB   SER   3           HB2      SER   3  15.952   5.324   2.551
   23   2HB   SER   3           HB1      SER   3  17.351   6.334   2.904
   24    HG   SER   3           HG       SER   3  16.645   5.200   0.602
   25    H    CYS   4           HN       CYS   4  15.905   3.643   1.603
   26    HA   CYS   4           HA       CYS   4  15.415   1.801   0.220
   27   1HB   CYS   4           HB2      CYS   4  17.485   1.269  -0.560
   28   2HB   CYS   4           HB1      CYS   4  18.219   1.455   1.008
   29    H    GLU   5           HN       GLU   5  15.049  -0.609   0.442
   30    HA   GLU   5           HA       GLU   5  13.532  -1.147   2.902
   31   1HB   GLU   5           HB2      GLU   5  12.796  -1.666   0.564
   32   2HB   GLU   5           HB1      GLU   5  14.123  -2.816   0.425
   33   1HG   GLU   5           HG2      GLU   5  12.821  -4.391   1.357
   34   2HG   GLU   5           HG1      GLU   5  12.742  -3.426   2.832
   35    HA   PRO   6           HA       PRO   6  17.012  -3.106   4.768
   36   1HB   PRO   6           HB2      PRO   6  15.662  -4.467   6.755
   37   2HB   PRO   6           HB1      PRO   6  16.117  -2.755   6.845
   38   1HG   PRO   6           HG2      PRO   6  13.495  -3.995   6.221
   39   2HG   PRO   6           HG1      PRO   6  13.870  -2.491   7.083
   40   1HD   PRO   6           HD2      PRO   6  12.987  -2.577   4.494
   41   2HD   PRO   6           HD1      PRO   6  13.968  -1.260   5.159
   42    H    GLY   7           HN       GLY   7  18.052  -5.054   4.487
   43   1HA   GLY   7           HA2      GLY   7  17.998  -7.515   4.257
   44   2HA   GLY   7           HA1      GLY   7  16.410  -7.349   3.500
   45    H    LYS   8           HN       LYS   8  17.600  -4.856   2.052
   46    HA   LYS   8           HA       LYS   8  18.549  -6.428  -0.272
   47   1HB   LYS   8           HB2      LYS   8  18.093  -3.453  -0.027
   48   2HB   LYS   8           HB1      LYS   8  18.066  -4.434  -1.495
   49   1HG   LYS   8           HG2      LYS   8  16.198  -5.747  -0.059
   50   2HG   LYS   8           HG1      LYS   8  15.991  -4.135   0.614
   51   1HD   LYS   8           HD2      LYS   8  15.249  -3.240  -1.375
   52   2HD   LYS   8           HD1      LYS   8  16.190  -4.367  -2.353
   53   1HE   LYS   8           HE2      LYS   8  14.566  -6.177  -1.328
   54   2HE   LYS   8           HE1      LYS   8  13.508  -4.778  -1.056
   55   1HZ   LYS   8           HZ1      LYS   8  14.123  -4.155  -3.443
   56   2HZ   LYS   8           HZ3      LYS   8  14.638  -5.764  -3.605
   57   3HZ   LYS   8           HZ2      LYS   8  13.017  -5.426  -3.225
   58    H    THR   9           HN       THR   9  20.314  -5.443  -1.589
   59    HA   THR   9           HA       THR   9  22.504  -4.308   0.105
   60    HB   THR   9           HB       THR   9  22.857  -6.323  -2.113
   61    HG1  THR   9           HG1      THR   9  22.512  -7.905  -0.729
   62   1HG2  THR   9          HG21      THR   9  24.828  -5.033  -1.396
   63   2HG2  THR   9          HG23      THR   9  24.561  -5.549   0.268
   64   3HG2  THR   9          HG22      THR   9  24.994  -6.734  -0.963
   65    H    PHE  10           HN       PHE  10  24.076  -3.070  -1.213
   66    HA   PHE  10           HA       PHE  10  23.497  -2.546  -4.015
   67   1HB   PHE  10           HB2      PHE  10  22.799  -0.121  -3.463
   68   2HB   PHE  10           HB1      PHE  10  21.610  -1.387  -3.190
   69    HD1  PHE  10           HD2      PHE  10  24.356  -1.421  -0.803
   70    HD2  PHE  10           HD1      PHE  10  20.544   0.368  -1.670
   71    HE1  PHE  10           HE2      PHE  10  24.103  -0.787   1.548
   72    HE2  PHE  10           HE1      PHE  10  20.331   1.026   0.698
   73    HZ   PHE  10           HZ       PHE  10  22.144   0.460   2.290
   74    H    LYS  11           HN       LYS  11  24.464   0.020  -4.186
   75    HA   LYS  11           HA       LYS  11  27.326  -0.372  -3.451
   76   1HB   LYS  11           HB2      LYS  11  26.639   0.001  -5.800
   77   2HB   LYS  11           HB1      LYS  11  25.865   1.514  -5.340
   78   1HG   LYS  11           HG2      LYS  11  28.545   1.571  -4.351
   79   2HG   LYS  11           HG1      LYS  11  28.599   1.074  -6.044
   80   1HD   LYS  11           HD2      LYS  11  26.687   3.129  -5.950
   81   2HD   LYS  11           HD1      LYS  11  28.014   3.690  -4.933
   82   1HE   LYS  11           HE2      LYS  11  28.928   4.348  -6.935
   83   2HE   LYS  11           HE1      LYS  11  29.381   2.638  -7.076
   84   1HZ   LYS  11           HZ3      LYS  11  26.664   3.481  -7.822
   85   2HZ   LYS  11           HZ2      LYS  11  27.934   3.738  -8.920
   86   3HZ   LYS  11           HZ1      LYS  11  27.572   2.165  -8.389
   87    H    ASP  12           HN       ASP  12  25.079   2.406  -3.721
   88    HA   ASP  12           HA       ASP  12  24.925   4.378  -2.426
   89   1HB   ASP  12           HB2      ASP  12  24.246   2.285  -0.943
   90   2HB   ASP  12           HB1      ASP  12  25.737   2.676  -0.087
   91    H    LYS  13           HN       LYS  13  26.268   5.762  -0.778
   92    HA   LYS  13           HA       LYS  13  28.339   6.912  -0.544
   93   1HB   LYS  13           HB2      LYS  13  29.083   4.008  -0.040
   94   2HB   LYS  13           HB1      LYS  13  29.980   5.410   0.547
   95   1HG   LYS  13           HG2      LYS  13  27.996   6.156   1.810
   96   2HG   LYS  13           HG1      LYS  13  27.098   4.754   1.230
   97   1HD   LYS  13           HD2      LYS  13  29.006   3.346   2.262
   98   2HD   LYS  13           HD1      LYS  13  29.452   4.823   3.118
   99   1HE   LYS  13           HE2      LYS  13  26.590   4.397   3.315
  100   2HE   LYS  13           HE1      LYS  13  27.473   2.974   3.905
  101   1HZ   LYS  13           HZ3      LYS  13  28.099   5.783   4.645
  102   2HZ   LYS  13           HZ2      LYS  13  27.229   4.701   5.625
  103   3HZ   LYS  13           HZ1      LYS  13  28.856   4.391   5.250
  104    H    CYS  14           HN       CYS  14  30.801   4.908  -1.175
  105    HA   CYS  14           HA       CYS  14  30.717   5.334  -4.129
  106   1HB   CYS  14           HB2      CYS  14  32.920   6.261  -4.006
  107   2HB   CYS  14           HB1      CYS  14  31.963   7.077  -2.777
  108    H    ASN  15           HN       ASN  15  30.911   3.032  -1.760
  109    HA   ASN  15           HA       ASN  15  32.699   1.307  -3.435
  110   1HB   ASN  15           HB2      ASN  15  32.487   1.820  -0.498
  111   2HB   ASN  15           HB1      ASN  15  32.935   0.189  -1.008
  112   1HD2  ASN  15          HD22      ASN  15  35.753   2.990  -1.071
  113   2HD2  ASN  15          HD21      ASN  15  34.334   3.059  -0.141
  114    H    THR  16           HN       THR  16  31.290  -0.398  -0.847
  115    HA   THR  16           HA       THR  16  28.850  -1.051  -2.455
  116    HB   THR  16           HB       THR  16  29.791  -3.490  -1.514
  117    HG1  THR  16           HG1      THR  16  31.897  -2.062  -2.762
  118   1HG2  THR  16          HG22      THR  16  28.867  -2.418  -3.847
  119   2HG2  THR  16          HG21      THR  16  30.543  -2.764  -4.275
  120   3HG2  THR  16          HG23      THR  16  29.495  -4.060  -3.697
  121    H    CYS  17           HN       CYS  17  27.161  -0.915  -1.060
  122    HA   CYS  17           HA       CYS  17  27.654  -1.454   1.814
  123   1HB   CYS  17           HB2      CYS  17  25.463   0.082   0.447
  124   2HB   CYS  17           HB1      CYS  17  25.662  -0.087   2.191
  125    H    ARG  18           HN       ARG  18  25.404  -1.945   2.891
  126    HA   ARG  18           HA       ARG  18  23.924  -4.049   1.398
  127   1HB   ARG  18           HB2      ARG  18  25.827  -5.039   2.706
  128   2HB   ARG  18           HB1      ARG  18  25.151  -4.317   4.166
  129   1HG   ARG  18           HG2      ARG  18  23.458  -5.844   4.301
  130   2HG   ARG  18           HG1      ARG  18  23.278  -5.956   2.548
  131   1HD   ARG  18           HD2      ARG  18  25.706  -7.064   2.735
  132   2HD   ARG  18           HD1      ARG  18  25.121  -7.466   4.359
  133    HE   ARG  18           HE       ARG  18  24.034  -8.508   1.836
  134   1HH1  ARG  18          HH21      ARG  18  22.086  -7.199   3.999
  135   2HH1  ARG  18          HH22      ARG  18  21.478  -8.655   4.715
  136   1HH2  ARG  18          HH11      ARG  18  23.890 -10.686   3.267
  137   2HH2  ARG  18          HH12      ARG  18  22.500 -10.632   4.299
  138    H    CYS  19           HN       CYS  19  22.028  -2.785   1.437
  139    HA   CYS  19           HA       CYS  19  21.059  -0.981   3.246
  140   1HB   CYS  19           HB2      CYS  19  20.136  -1.957   1.091
  141   2HB   CYS  19           HB1      CYS  19  19.400  -3.218   2.087
  142    H    GLY  20           HN       GLY  20  21.135  -1.130   5.375
  143   1HA   GLY  20           HA2      GLY  20  21.385  -3.090   7.189
  144   2HA   GLY  20           HA1      GLY  20  20.385  -1.688   7.522
  145    H    ALA  21           HN       ALA  21  19.646  -3.758   8.881
  146    HA   ALA  21           HA       ALA  21  17.685  -5.428   7.439
  147   1HB   ALA  21           HB2      ALA  21  18.973  -5.264  10.125
  148   2HB   ALA  21           HB1      ALA  21  17.463  -6.164   9.972
  149   3HB   ALA  21           HB3      ALA  21  18.868  -6.630   9.013
  150    H    ASP  22           HN       ASP  22  17.599  -2.391   8.917
  151    HA   ASP  22           HA       ASP  22  14.742  -2.782   9.703
  152   1HB   ASP  22           HB2      ASP  22  15.179  -0.666  11.048
  153   2HB   ASP  22           HB1      ASP  22  16.028  -2.119  11.572
  154    H    GLY  23           HN       GLY  23  16.810  -0.570   7.753
  155   1HA   GLY  23           HA2      GLY  23  14.850   0.078   5.920
  156   2HA   GLY  23           HA1      GLY  23  14.471   1.124   7.268
  157    H    LYS  24           HN       LYS  24  16.682   2.383   8.028
  158    HA   LYS  24           HA       LYS  24  17.816   3.471   5.485
  159   1HB   LYS  24           HB2      LYS  24  17.251   4.885   8.101
  160   2HB   LYS  24           HB1      LYS  24  17.815   5.643   6.610
  161   1HG   LYS  24           HG2      LYS  24  15.733   4.773   5.476
  162   2HG   LYS  24           HG1      LYS  24  15.155   4.265   7.062
  163   1HD   LYS  24           HD2      LYS  24  16.087   7.012   7.146
  164   2HD   LYS  24           HD1      LYS  24  14.850   6.808   5.903
  165   1HE   LYS  24           HE2      LYS  24  13.579   7.228   7.854
  166   2HE   LYS  24           HE1      LYS  24  13.584   5.453   7.767
  167   1HZ   LYS  24           HZ2      LYS  24  15.795   6.875   9.090
  168   2HZ   LYS  24           HZ1      LYS  24  14.353   6.587   9.943
  169   3HZ   LYS  24           HZ3      LYS  24  15.250   5.283   9.331
  170    H    SER  25           HN       SER  25  19.094   1.411   6.572
  171    HA   SER  25           HA       SER  25  21.550   2.825   7.399
  172   1HB   SER  25           HB2      SER  25  21.812   0.465   8.735
  173   2HB   SER  25           HB1      SER  25  21.064   1.885   9.460
  174    HG   SER  25           HG       SER  25  19.955  -0.430   9.092
  175    H    ALA  26           HN       ALA  26  23.473   0.966   7.157
  176    HA   ALA  26           HA       ALA  26  23.047  -1.059   5.164
  177   1HB   ALA  26           HB2      ALA  26  22.627   1.136   3.913
  178   2HB   ALA  26           HB1      ALA  26  24.358   1.428   4.065
  179   3HB   ALA  26           HB3      ALA  26  23.775   0.020   3.179
  180    H    ALA  27           HN       ALA  27  24.631  -2.387   6.167
  181    HA   ALA  27           HA       ALA  27  27.188  -1.350   7.088
  182   1HB   ALA  27           HB2      ALA  27  26.042  -4.055   6.436
  183   2HB   ALA  27           HB1      ALA  27  27.773  -3.891   6.732
  184   3HB   ALA  27           HB3      ALA  27  26.619  -3.440   7.986
  185    H    CYS  28           HN       CYS  28  28.997  -0.948   5.819
  186    HA   CYS  28           HA       CYS  28  28.757  -1.752   2.963
  187   1HB   CYS  28           HB2      CYS  28  28.387   0.691   3.881
  188   2HB   CYS  28           HB1      CYS  28  30.136   0.741   3.827
  189    H    THR  29           HN       THR  29  30.951  -1.087   1.858
  190    HA   THR  29           HA       THR  29  33.265  -2.038   3.445
  191    HB   THR  29           HB       THR  29  31.785  -3.764   1.941
  192    HG1  THR  29           HG1      THR  29  33.413  -5.045   2.352
  193   1HG2  THR  29          HG23      THR  29  32.492  -2.252  -0.077
  194   2HG2  THR  29          HG22      THR  29  34.033  -3.096   0.065
  195   3HG2  THR  29          HG21      THR  29  32.557  -4.007  -0.251
  196    H    LEU  30           HN       LEU  30  35.276  -1.573   2.204
  197    HA   LEU  30           HA       LEU  30  34.913   0.935   0.637
  198   1HB   LEU  30           HB2      LEU  30  37.345  -0.064   2.134
  199   2HB   LEU  30           HB1      LEU  30  37.006   1.587   1.612
  200    HG   LEU  30           HG       LEU  30  35.179   0.105   3.514
  201   1HD1  LEU  30          HD12      LEU  30  37.801   1.335   4.019
  202   2HD1  LEU  30          HD11      LEU  30  36.507   1.916   5.067
  203   3HD1  LEU  30          HD13      LEU  30  36.878   0.194   4.997
  204   1HD2  LEU  30          HD21      LEU  30  34.953   2.506   2.105
  205   2HD2  LEU  30          HD23      LEU  30  33.980   2.017   3.492
  206   3HD2  LEU  30          HD22      LEU  30  35.423   3.002   3.731
  207    H    LYS  31           HN       LYS  31  36.640   1.395  -0.918
  208    HA   LYS  31           HA       LYS  31  38.471  -0.281  -2.155
  209   1HB   LYS  31           HB2      LYS  31  35.729  -1.210  -2.403
  210   2HB   LYS  31           HB1      LYS  31  36.387  -0.832  -3.994
  211   1HG   LYS  31           HG2      LYS  31  38.286  -2.256  -2.273
  212   2HG   LYS  31           HG1      LYS  31  36.826  -3.186  -2.616
  213   1HD   LYS  31           HD2      LYS  31  37.331  -2.191  -5.084
  214   2HD   LYS  31           HD1      LYS  31  38.976  -2.292  -4.456
  215   1HE   LYS  31           HE2      LYS  31  38.964  -4.584  -4.440
  216   2HE   LYS  31           HE1      LYS  31  37.262  -4.665  -3.940
  217   1HZ   LYS  31           HZ3      LYS  31  37.770  -3.480  -6.542
  218   2HZ   LYS  31           HZ2      LYS  31  38.069  -5.148  -6.434
  219   3HZ   LYS  31           HZ1      LYS  31  36.530  -4.532  -6.056
  220    H    ALA  32           HN       ALA  32  38.270   0.249  -4.807
  221    HA   ALA  32           HA       ALA  32  38.722   2.978  -5.161
  222   1HB   ALA  32           HB1      ALA  32  38.565   0.721  -6.736
  223   2HB   ALA  32           HB3      ALA  32  37.247   1.706  -7.368
  224   3HB   ALA  32           HB2      ALA  32  38.890   2.345  -7.339
  225    H    CYS  33           HN       CYS  33  37.381   4.752  -5.783
  226    HA   CYS  33           HA       CYS  33  34.433   4.325  -5.485
  227   1HB   CYS  33           HB2      CYS  33  36.317   6.272  -4.144
  228   2HB   CYS  33           HB1      CYS  33  34.587   6.594  -4.228
  229    HA   PRO  34           HA       PRO  34  35.375   6.491  -9.429
  230   1HB   PRO  34           HB2      PRO  34  33.205   5.396 -10.713
  231   2HB   PRO  34           HB1      PRO  34  34.788   4.598 -10.607
  232   1HG   PRO  34           HG2      PRO  34  32.347   4.176  -8.938
  233   2HG   PRO  34           HG1      PRO  34  33.447   2.978  -9.642
  234   1HD   PRO  34           HD2      PRO  34  33.600   3.673  -7.055
  235   2HD   PRO  34           HD1      PRO  34  35.059   3.303  -8.000
  236    H    ASN  35           HN       ASN  35  33.274   7.460 -10.877
  237    HA   ASN  35           HA       ASN  35  31.517   9.051 -10.893
  238   1HB   ASN  35           HB2      ASN  35  30.977   7.252  -8.855
  239   2HB   ASN  35           HB1      ASN  35  30.917   8.810  -8.029
  240   1HD2  ASN  35          HD22      ASN  35  28.244   8.148 -11.094
  241   2HD2  ASN  35          HD21      ASN  35  29.744   7.355 -11.125
  242    H    GLN  36           HN       GLN  36  33.590  10.466 -11.003
  243    HA   GLN  36           HA       GLN  36  34.318  11.912  -8.553
  244   1HB   GLN  36           HB2      GLN  36  35.566  11.264 -10.882
  245   2HB   GLN  36           HB1      GLN  36  35.076  12.920 -11.240
  246   1HG   GLN  36           HG2      GLN  36  36.996  13.472 -10.146
  247   2HG   GLN  36           HG1      GLN  36  36.026  13.202  -8.696
  248   1HE2  GLN  36          HE22      GLN  36  39.227  10.985  -9.026
  249   2HE2  GLN  36          HE21      GLN  36  39.014  12.567  -9.600
   
  No H/Q in entry =         249
  Start of MODEL   20
    1   1H    GLU   1           HT3      GLU   1  18.813   8.979   7.506
    2   2H    GLU   1           HT2      GLU   1  19.252  10.294   8.489
    3   3H    GLU   1           HT1      GLU   1  18.225  10.532   7.157
    4    HA   GLU   1           HA       GLU   1  20.152  11.219   6.185
    5   1HB   GLU   1           HB2      GLU   1  22.339  10.218   7.016
    6   2HB   GLU   1           HB1      GLU   1  21.402  11.072   8.242
    7   1HG   GLU   1           HG2      GLU   1  20.357   8.761   8.766
    8   2HG   GLU   1           HG1      GLU   1  21.714   8.097   7.856
    9    H    ILE   2           HN       ILE   2  20.084   7.711   6.919
   10    HA   ILE   2           HA       ILE   2  20.745   7.171   4.046
   11    HB   ILE   2           HB       ILE   2  21.067   5.693   6.643
   12   1HG1  ILE   2          HG12      ILE   2  22.860   6.770   4.483
   13   2HG1  ILE   2          HG11      ILE   2  22.977   6.994   6.227
   14   1HG2  ILE   2          HG23      ILE   2  21.313   4.519   3.869
   15   2HG2  ILE   2          HG22      ILE   2  21.841   3.726   5.349
   16   3HG2  ILE   2          HG21      ILE   2  20.130   4.063   5.096
   17   1HD1  ILE   2          HD13      ILE   2  23.494   4.389   4.755
   18   2HD1  ILE   2          HD12      ILE   2  24.738   5.462   5.400
   19   3HD1  ILE   2          HD11      ILE   2  23.633   4.632   6.496
   20    H    SER   3           HN       SER   3  19.705   5.133   3.241
   21    HA   SER   3           HA       SER   3  17.355   4.027   4.387
   22   1HB   SER   3           HB2      SER   3  15.945   5.284   2.413
   23   2HB   SER   3           HB1      SER   3  16.048   5.891   4.063
   24    HG   SER   3           HG       SER   3  16.793   7.135   1.928
   25    H    CYS   4           HN       CYS   4  16.427   2.400   2.968
   26    HA   CYS   4           HA       CYS   4  16.993   2.045   0.209
   27   1HB   CYS   4           HB2      CYS   4  18.882   0.314   0.561
   28   2HB   CYS   4           HB1      CYS   4  19.322   2.012   0.729
   29    H    GLU   5           HN       GLU   5  17.217  -0.632  -0.115
   30    HA   GLU   5           HA       GLU   5  14.754  -1.672   1.110
   31   1HB   GLU   5           HB2      GLU   5  16.438  -2.126  -1.195
   32   2HB   GLU   5           HB1      GLU   5  16.147  -3.654  -0.365
   33   1HG   GLU   5           HG2      GLU   5  13.671  -2.944  -0.299
   34   2HG   GLU   5           HG1      GLU   5  14.116  -1.729  -1.497
   35    HA   PRO   6           HA       PRO   6  17.363  -3.138   4.476
   36   1HB   PRO   6           HB2      PRO   6  15.257  -4.053   5.987
   37   2HB   PRO   6           HB1      PRO   6  15.774  -2.355   5.948
   38   1HG   PRO   6           HG2      PRO   6  13.569  -3.691   4.435
   39   2HG   PRO   6           HG1      PRO   6  13.566  -2.136   5.290
   40   1HD   PRO   6           HD2      PRO   6  13.828  -2.249   2.630
   41   2HD   PRO   6           HD1      PRO   6  14.724  -1.053   3.597
   42    H    GLY   7           HN       GLY   7  18.352  -5.102   4.484
   43   1HA   GLY   7           HA2      GLY   7  18.199  -7.538   4.766
   44   2HA   GLY   7           HA1      GLY   7  16.720  -7.507   3.808
   45    H    LYS   8           HN       LYS   8  18.026  -5.575   1.868
   46    HA   LYS   8           HA       LYS   8  19.522  -7.676   0.360
   47   1HB   LYS   8           HB2      LYS   8  18.058  -5.158  -0.467
   48   2HB   LYS   8           HB1      LYS   8  18.906  -6.223  -1.588
   49   1HG   LYS   8           HG2      LYS   8  16.793  -7.144  -1.731
   50   2HG   LYS   8           HG1      LYS   8  17.423  -8.079  -0.374
   51   1HD   LYS   8           HD2      LYS   8  16.265  -6.773   1.217
   52   2HD   LYS   8           HD1      LYS   8  15.990  -5.463   0.069
   53   1HE   LYS   8           HE2      LYS   8  13.960  -6.386  -0.354
   54   2HE   LYS   8           HE1      LYS   8  14.814  -7.751  -1.103
   55   1HZ   LYS   8           HZ3      LYS   8  15.196  -8.424   1.367
   56   2HZ   LYS   8           HZ2      LYS   8  13.821  -7.468   1.650
   57   3HZ   LYS   8           HZ1      LYS   8  13.729  -8.806   0.606
   58    H    THR   9           HN       THR   9  21.098  -6.594  -1.280
   59    HA   THR   9           HA       THR   9  22.897  -4.775   0.264
   60    HB   THR   9           HB       THR   9  23.586  -6.479  -2.134
   61    HG1  THR   9           HG1      THR   9  22.683  -7.875  -0.661
   62   1HG2  THR   9          HG22      THR   9  25.171  -5.461   0.241
   63   2HG2  THR   9          HG21      THR   9  25.817  -6.465  -1.057
   64   3HG2  THR   9          HG23      THR   9  25.251  -4.831  -1.405
   65    H    PHE  10           HN       PHE  10  24.196  -3.246  -1.189
   66    HA   PHE  10           HA       PHE  10  23.139  -2.596  -3.800
   67   1HB   PHE  10           HB2      PHE  10  22.087  -0.459  -3.132
   68   2HB   PHE  10           HB1      PHE  10  21.273  -1.841  -2.424
   69    HD1  PHE  10           HD1      PHE  10  23.157  -2.396  -0.042
   70    HD2  PHE  10           HD2      PHE  10  21.582   1.261  -1.661
   71    HE1  PHE  10           HE1      PHE  10  23.382  -1.328   2.147
   72    HE2  PHE  10           HE2      PHE  10  21.796   2.317   0.562
   73    HZ   PHE  10           HZ       PHE  10  22.708   1.032   2.469
   74    H    LYS  11           HN       LYS  11  23.873   0.053  -3.970
   75    HA   LYS  11           HA       LYS  11  26.818  -0.174  -3.490
   76   1HB   LYS  11           HB2      LYS  11  25.482   0.276  -5.751
   77   2HB   LYS  11           HB1      LYS  11  25.516   1.943  -5.173
   78   1HG   LYS  11           HG2      LYS  11  28.071   1.409  -4.744
   79   2HG   LYS  11           HG1      LYS  11  27.797   0.165  -5.964
   80   1HD   LYS  11           HD2      LYS  11  27.001   3.054  -6.379
   81   2HD   LYS  11           HD1      LYS  11  28.579   2.423  -6.854
   82   1HE   LYS  11           HE2      LYS  11  26.493   0.646  -7.793
   83   2HE   LYS  11           HE1      LYS  11  26.203   2.301  -8.369
   84   1HZ   LYS  11           HZ1      LYS  11  28.764   2.262  -8.732
   85   2HZ   LYS  11           HZ3      LYS  11  28.553   0.580  -8.778
   86   3HZ   LYS  11           HZ2      LYS  11  27.737   1.567  -9.895
   87    H    ASP  12           HN       ASP  12  24.384   2.468  -3.553
   88    HA   ASP  12           HA       ASP  12  24.161   4.373  -2.183
   89   1HB   ASP  12           HB2      ASP  12  23.898   2.575  -0.509
   90   2HB   ASP  12           HB1      ASP  12  25.645   2.524  -0.286
   91    H    LYS  13           HN       LYS  13  27.043   3.737  -0.367
   92    HA   LYS  13           HA       LYS  13  28.303   6.170  -1.005
   93   1HB   LYS  13           HB2      LYS  13  29.608   3.568  -0.167
   94   2HB   LYS  13           HB1      LYS  13  30.177   5.201   0.186
   95   1HG   LYS  13           HG2      LYS  13  27.432   4.881   1.052
   96   2HG   LYS  13           HG1      LYS  13  28.455   3.637   1.771
   97   1HD   LYS  13           HD2      LYS  13  29.066   5.209   3.275
   98   2HD   LYS  13           HD1      LYS  13  30.005   5.933   1.968
   99   1HE   LYS  13           HE2      LYS  13  27.349   6.797   1.548
  100   2HE   LYS  13           HE1      LYS  13  27.655   6.987   3.286
  101   1HZ   LYS  13           HZ3      LYS  13  29.897   7.906   2.573
  102   2HZ   LYS  13           HZ2      LYS  13  29.227   8.059   1.020
  103   3HZ   LYS  13           HZ1      LYS  13  28.551   8.907   2.327
  104    H    CYS  14           HN       CYS  14  30.980   5.341  -1.673
  105    HA   CYS  14           HA       CYS  14  30.662   5.037  -4.601
  106   1HB   CYS  14           HB2      CYS  14  33.003   5.734  -4.622
  107   2HB   CYS  14           HB1      CYS  14  32.113   6.773  -3.506
  108    H    ASN  15           HN       ASN  15  31.015   2.938  -2.004
  109    HA   ASN  15           HA       ASN  15  32.555   0.986  -3.666
  110   1HB   ASN  15           HB2      ASN  15  32.371   1.617  -0.734
  111   2HB   ASN  15           HB1      ASN  15  32.844  -0.012  -1.233
  112   1HD2  ASN  15          HD22      ASN  15  35.571   2.912  -1.423
  113   2HD2  ASN  15          HD21      ASN  15  34.123   3.029  -0.543
  114    H    THR  16           HN       THR  16  31.169  -0.560  -1.015
  115    HA   THR  16           HA       THR  16  28.597  -1.024  -2.461
  116    HB   THR  16           HB       THR  16  29.619  -3.535  -1.590
  117    HG1  THR  16           HG1      THR  16  31.300  -2.192  -3.427
  118   1HG2  THR  16          HG22      THR  16  27.998  -2.715  -3.493
  119   2HG2  THR  16          HG21      THR  16  29.477  -2.642  -4.450
  120   3HG2  THR  16          HG23      THR  16  28.965  -4.170  -3.736
  121    H    CYS  17           HN       CYS  17  26.958  -1.065  -1.049
  122    HA   CYS  17           HA       CYS  17  27.560  -1.505   1.818
  123   1HB   CYS  17           HB2      CYS  17  25.324  -0.102   0.400
  124   2HB   CYS  17           HB1      CYS  17  25.449  -0.276   2.152
  125    H    ARG  18           HN       ARG  18  25.467  -2.167   3.015
  126    HA   ARG  18           HA       ARG  18  23.985  -4.351   1.647
  127   1HB   ARG  18           HB2      ARG  18  25.918  -5.399   2.720
  128   2HB   ARG  18           HB1      ARG  18  25.606  -4.514   4.214
  129   1HG   ARG  18           HG2      ARG  18  24.194  -6.123   4.900
  130   2HG   ARG  18           HG1      ARG  18  23.214  -5.902   3.450
  131   1HD   ARG  18           HD2      ARG  18  23.938  -8.195   3.407
  132   2HD   ARG  18           HD1      ARG  18  24.976  -7.350   2.240
  133    HE   ARG  18           HE       ARG  18  26.576  -7.078   4.275
  134   1HH1  ARG  18          HH21      ARG  18  24.350  -8.930   5.632
  135   2HH1  ARG  18          HH22      ARG  18  25.274 -10.390   5.756
  136   1HH2  ARG  18          HH11      ARG  18  27.794  -9.289   3.644
  137   2HH2  ARG  18          HH12      ARG  18  27.223 -10.594   4.630
  138    H    CYS  19           HN       CYS  19  22.108  -2.976   1.804
  139    HA   CYS  19           HA       CYS  19  21.363  -1.393   4.004
  140   1HB   CYS  19           HB2      CYS  19  20.427  -1.493   1.682
  141   2HB   CYS  19           HB1      CYS  19  19.541  -2.954   2.157
  142    H    GLY  20           HN       GLY  20  20.538  -1.792   5.996
  143   1HA   GLY  20           HA2      GLY  20  20.331  -4.632   6.812
  144   2HA   GLY  20           HA1      GLY  20  20.364  -3.248   7.898
  145    H    ALA  21           HN       ALA  21  18.525  -5.246   8.324
  146    HA   ALA  21           HA       ALA  21  16.014  -5.296   7.217
  147   1HB   ALA  21           HB2      ALA  21  17.169  -6.088   9.551
  148   2HB   ALA  21           HB1      ALA  21  16.077  -4.840  10.149
  149   3HB   ALA  21           HB3      ALA  21  15.438  -6.210   9.242
  150    H    ASP  22           HN       ASP  22  17.474  -2.583   8.906
  151    HA   ASP  22           HA       ASP  22  14.950  -1.066   9.024
  152   1HB   ASP  22           HB2      ASP  22  17.165  -1.125  10.551
  153   2HB   ASP  22           HB1      ASP  22  17.644   0.159   9.440
  154    H    GLY  23           HN       GLY  23  14.357   0.484   7.501
  155   1HA   GLY  23           HA2      GLY  23  15.912   0.575   5.009
  156   2HA   GLY  23           HA1      GLY  23  14.346   1.342   5.283
  157    H    LYS  24           HN       LYS  24  17.422   1.673   7.078
  158    HA   LYS  24           HA       LYS  24  17.744   4.441   6.110
  159   1HB   LYS  24           HB2      LYS  24  16.939   3.677   8.926
  160   2HB   LYS  24           HB1      LYS  24  17.628   5.251   8.525
  161   1HG   LYS  24           HG2      LYS  24  15.800   5.550   6.828
  162   2HG   LYS  24           HG1      LYS  24  15.071   4.058   7.422
  163   1HD   LYS  24           HD2      LYS  24  14.576   4.983   9.524
  164   2HD   LYS  24           HD1      LYS  24  15.749   6.286   9.330
  165   1HE   LYS  24           HE2      LYS  24  13.693   6.297   7.232
  166   2HE   LYS  24           HE1      LYS  24  13.032   6.536   8.862
  167   1HZ   LYS  24           HZ2      LYS  24  14.861   8.151   9.245
  168   2HZ   LYS  24           HZ1      LYS  24  15.269   8.029   7.600
  169   3HZ   LYS  24           HZ3      LYS  24  13.757   8.649   8.054
  170    H    SER  25           HN       SER  25  19.250   1.672   6.593
  171    HA   SER  25           HA       SER  25  21.775   3.020   7.065
  172   1HB   SER  25           HB2      SER  25  22.070   1.283   9.106
  173   2HB   SER  25           HB1      SER  25  21.424   2.905   9.343
  174    HG   SER  25           HG       SER  25  19.375   2.078   9.319
  175    H    ALA  26           HN       ALA  26  23.593   1.265   7.145
  176    HA   ALA  26           HA       ALA  26  22.995  -1.409   6.230
  177   1HB   ALA  26           HB1      ALA  26  22.333   0.312   4.362
  178   2HB   ALA  26           HB3      ALA  26  24.071   0.373   4.067
  179   3HB   ALA  26           HB2      ALA  26  23.205  -1.150   3.926
  180    H    ALA  27           HN       ALA  27  24.900  -2.652   6.318
  181    HA   ALA  27           HA       ALA  27  27.366  -1.284   7.181
  182   1HB   ALA  27           HB2      ALA  27  26.391  -3.628   7.846
  183   2HB   ALA  27           HB1      ALA  27  27.149  -4.167   6.347
  184   3HB   ALA  27           HB3      ALA  27  28.133  -3.458   7.627
  185    H    CYS  28           HN       CYS  28  29.113  -0.867   5.783
  186    HA   CYS  28           HA       CYS  28  28.677  -1.747   2.974
  187   1HB   CYS  28           HB2      CYS  28  28.342   0.711   3.850
  188   2HB   CYS  28           HB1      CYS  28  30.084   0.784   3.675
  189    H    THR  29           HN       THR  29  30.840  -1.054   1.718
  190    HA   THR  29           HA       THR  29  33.216  -2.050   3.200
  191    HB   THR  29           HB       THR  29  31.664  -3.701   1.656
  192    HG1  THR  29           HG1      THR  29  33.209  -4.986   2.209
  193   1HG2  THR  29          HG22      THR  29  32.339  -2.187  -0.329
  194   2HG2  THR  29          HG21      THR  29  33.926  -2.941  -0.185
  195   3HG2  THR  29          HG23      THR  29  32.510  -3.930  -0.536
  196    H    LEU  30           HN       LEU  30  35.197  -1.513   1.965
  197    HA   LEU  30           HA       LEU  30  34.776   0.967   0.355
  198   1HB   LEU  30           HB2      LEU  30  37.190   0.120   1.971
  199   2HB   LEU  30           HB1      LEU  30  36.815   1.735   1.369
  200    HG   LEU  30           HG       LEU  30  34.919   0.310   3.236
  201   1HD1  LEU  30          HD11      LEU  30  37.132   0.334   4.324
  202   2HD1  LEU  30          HD13      LEU  30  37.257   2.067   4.022
  203   3HD1  LEU  30          HD12      LEU  30  36.017   1.449   5.113
  204   1HD2  LEU  30          HD21      LEU  30  34.855   2.725   1.827
  205   2HD2  LEU  30          HD23      LEU  30  33.799   2.267   3.163
  206   3HD2  LEU  30          HD22      LEU  30  35.269   3.191   3.477
  207    H    LYS  31           HN       LYS  31  36.601   1.449  -1.128
  208    HA   LYS  31           HA       LYS  31  38.528  -0.234  -2.198
  209   1HB   LYS  31           HB2      LYS  31  35.815  -1.196  -2.604
  210   2HB   LYS  31           HB1      LYS  31  36.585  -0.870  -4.156
  211   1HG   LYS  31           HG2      LYS  31  38.615  -2.158  -3.194
  212   2HG   LYS  31           HG1      LYS  31  37.484  -2.752  -1.978
  213   1HD   LYS  31           HD2      LYS  31  36.832  -4.326  -3.450
  214   2HD   LYS  31           HD1      LYS  31  36.150  -3.035  -4.442
  215   1HE   LYS  31           HE2      LYS  31  37.903  -3.076  -5.930
  216   2HE   LYS  31           HE1      LYS  31  39.094  -3.451  -4.668
  217   1HZ   LYS  31           HZ1      LYS  31  37.005  -5.426  -5.229
  218   2HZ   LYS  31           HZ3      LYS  31  38.276  -5.291  -6.343
  219   3HZ   LYS  31           HZ2      LYS  31  38.609  -5.662  -4.719
  220    H    ALA  32           HN       ALA  32  38.555   0.232  -4.840
  221    HA   ALA  32           HA       ALA  32  39.025   2.932  -5.261
  222   1HB   ALA  32           HB3      ALA  32  39.312   0.836  -6.769
  223   2HB   ALA  32           HB2      ALA  32  37.688   1.209  -7.346
  224   3HB   ALA  32           HB1      ALA  32  38.991   2.378  -7.559
  225    H    CYS  33           HN       CYS  33  37.753   4.698  -6.030
  226    HA   CYS  33           HA       CYS  33  34.791   4.320  -6.072
  227   1HB   CYS  33           HB2      CYS  33  36.450   6.246  -4.420
  228   2HB   CYS  33           HB1      CYS  33  34.716   6.449  -4.662
  229    HA   PRO  34           HA       PRO  34  36.209   6.727  -9.702
  230   1HB   PRO  34           HB2      PRO  34  34.080   5.944 -11.256
  231   2HB   PRO  34           HB1      PRO  34  35.574   5.000 -11.092
  232   1HG   PRO  34           HG2      PRO  34  32.960   4.663  -9.686
  233   2HG   PRO  34           HG1      PRO  34  34.029   3.434 -10.387
  234   1HD   PRO  34           HD2      PRO  34  33.979   3.915  -7.743
  235   2HD   PRO  34           HD1      PRO  34  35.484   3.476  -8.583
  236    H    ASN  35           HN       ASN  35  34.422   8.085 -11.204
  237    HA   ASN  35           HA       ASN  35  33.077   9.842  -9.214
  238   1HB   ASN  35           HB2      ASN  35  34.754  10.381 -11.243
  239   2HB   ASN  35           HB1      ASN  35  33.232  10.452 -12.132
  240   1HD2  ASN  35          HD22      ASN  35  33.328  13.864 -11.009
  241   2HD2  ASN  35          HD21      ASN  35  33.739  12.854 -12.310
  242    H    GLN  36           HN       GLN  36  31.094  10.980 -10.728
  243    HA   GLN  36           HA       GLN  36  29.134   8.768 -10.945
  244   1HB   GLN  36           HB2      GLN  36  27.528  10.604 -10.895
  245   2HB   GLN  36           HB1      GLN  36  28.748  10.887  -9.652
  246   1HG   GLN  36           HG2      GLN  36  29.917  12.126 -11.769
  247   2HG   GLN  36           HG1      GLN  36  28.215  12.387 -12.152
  248   1HE2  GLN  36          HE22      GLN  36  29.906  14.359  -9.019
  249   2HE2  GLN  36          HE21      GLN  36  30.793  13.221  -9.912
   
  No H/Q in entry =         249
  Start of MODEL   21
    1   1H    GLU   1           HT3      GLU   1  17.287   7.835   8.820
    2   2H    GLU   1           HT2      GLU   1  17.630   8.883  10.114
    3   3H    GLU   1           HT1      GLU   1  16.555   9.365   8.889
    4    HA   GLU   1           HA       GLU   1  18.456  10.478   8.245
    5   1HB   GLU   1           HB2      GLU   1  19.737   9.538  10.115
    6   2HB   GLU   1           HB1      GLU   1  19.869   7.994   9.273
    7   1HG   GLU   1           HG2      GLU   1  21.599   8.723   8.019
    8   2HG   GLU   1           HG1      GLU   1  20.764  10.224   7.616
    9    H    ILE   2           HN       ILE   2  19.556   7.158   7.632
   10    HA   ILE   2           HA       ILE   2  19.383   7.650   4.716
   11    HB   ILE   2           HB       ILE   2  20.861   5.981   6.607
   12   1HG1  ILE   2          HG12      ILE   2  21.261   7.239   3.926
   13   2HG1  ILE   2          HG11      ILE   2  22.216   7.424   5.395
   14   1HG2  ILE   2          HG23      ILE   2  19.455   4.199   5.543
   15   2HG2  ILE   2          HG22      ILE   2  20.156   4.654   3.991
   16   3HG2  ILE   2          HG21      ILE   2  21.181   4.016   5.256
   17   1HD1  ILE   2          HD13      ILE   2  22.931   4.976   5.059
   18   2HD1  ILE   2          HD12      ILE   2  22.239   5.109   3.442
   19   3HD1  ILE   2          HD11      ILE   2  23.586   6.145   3.910
   20    H    SER   3           HN       SER   3  18.757   5.527   3.527
   21    HA   SER   3           HA       SER   3  16.865   3.726   4.623
   22   1HB   SER   3           HB2      SER   3  14.786   4.698   3.998
   23   2HB   SER   3           HB1      SER   3  15.697   6.072   4.618
   24    HG   SER   3           HG       SER   3  14.627   5.814   2.247
   25    H    CYS   4           HN       CYS   4  15.679   2.533   2.693
   26    HA   CYS   4           HA       CYS   4  16.497   2.890  -0.009
   27   1HB   CYS   4           HB2      CYS   4  18.676   2.312   0.094
   28   2HB   CYS   4           HB1      CYS   4  18.549   2.089   1.820
   29    H    GLU   5           HN       GLU   5  16.503   0.156   2.218
   30    HA   GLU   5           HA       GLU   5  14.020  -1.015   1.791
   31   1HB   GLU   5           HB2      GLU   5  15.762  -1.073  -0.565
   32   2HB   GLU   5           HB1      GLU   5  15.258  -2.692  -0.083
   33   1HG   GLU   5           HG2      GLU   5  13.131  -2.336  -0.757
   34   2HG   GLU   5           HG1      GLU   5  13.064  -0.765   0.039
   35    HA   PRO   6           HA       PRO   6  16.819  -3.063   4.690
   36   1HB   PRO   6           HB2      PRO   6  14.777  -4.091   6.221
   37   2HB   PRO   6           HB1      PRO   6  15.415  -2.443   6.407
   38   1HG   PRO   6           HG2      PRO   6  13.008  -3.379   4.901
   39   2HG   PRO   6           HG1      PRO   6  13.181  -1.987   5.988
   40   1HD   PRO   6           HD2      PRO   6  13.230  -1.670   3.337
   41   2HD   PRO   6           HD1      PRO   6  14.302  -0.715   4.393
   42    H    GLY   7           HN       GLY   7  17.679  -5.035   4.318
   43   1HA   GLY   7           HA2      GLY   7  17.339  -7.488   4.297
   44   2HA   GLY   7           HA1      GLY   7  15.857  -7.211   3.382
   45    H    LYS   8           HN       LYS   8  17.512  -5.033   1.874
   46    HA   LYS   8           HA       LYS   8  18.659  -6.996  -0.067
   47   1HB   LYS   8           HB2      LYS   8  18.135  -4.101  -0.654
   48   2HB   LYS   8           HB1      LYS   8  18.069  -5.486  -1.741
   49   1HG   LYS   8           HG2      LYS   8  16.103  -4.953   0.510
   50   2HG   LYS   8           HG1      LYS   8  15.799  -4.627  -1.197
   51   1HD   LYS   8           HD2      LYS   8  16.567  -7.365  -0.164
   52   2HD   LYS   8           HD1      LYS   8  14.891  -6.843  -0.338
   53   1HE   LYS   8           HE2      LYS   8  16.405  -6.252  -2.751
   54   2HE   LYS   8           HE1      LYS   8  16.476  -7.980  -2.353
   55   1HZ   LYS   8           HZ2      LYS   8  13.917  -6.628  -1.978
   56   2HZ   LYS   8           HZ1      LYS   8  14.397  -6.913  -3.583
   57   3HZ   LYS   8           HZ3      LYS   8  14.240  -8.211  -2.503
   58    H    THR   9           HN       THR   9  20.556  -6.239  -1.275
   59    HA   THR   9           HA       THR   9  22.428  -4.625   0.425
   60    HB   THR   9           HB       THR   9  23.234  -6.774  -1.523
   61    HG1  THR   9           HG1      THR   9  21.747  -7.786  -0.224
   62   1HG2  THR   9          HG22      THR   9  24.795  -5.125  -0.221
   63   2HG2  THR   9          HG21      THR   9  24.463  -6.180   1.153
   64   3HG2  THR   9          HG23      THR   9  25.224  -6.834  -0.297
   65    H    PHE  10           HN       PHE  10  24.026  -3.388  -0.877
   66    HA   PHE  10           HA       PHE  10  23.581  -3.208  -3.772
   67   1HB   PHE  10           HB2      PHE  10  22.927  -0.749  -3.541
   68   2HB   PHE  10           HB1      PHE  10  21.705  -1.924  -3.078
   69    HD1  PHE  10           HD1      PHE  10  24.395  -1.790  -0.681
   70    HD2  PHE  10           HD2      PHE  10  20.771   0.172  -1.887
   71    HE1  PHE  10           HE1      PHE  10  24.197  -0.774   1.548
   72    HE2  PHE  10           HE2      PHE  10  20.608   1.219   0.349
   73    HZ   PHE  10           HZ       PHE  10  22.356   0.763   2.054
   74    H    LYS  11           HN       LYS  11  24.642  -0.702  -4.198
   75    HA   LYS  11           HA       LYS  11  27.458  -1.094  -3.275
   76   1HB   LYS  11           HB2      LYS  11  26.470  -0.974  -5.747
   77   2HB   LYS  11           HB1      LYS  11  26.585   0.763  -5.468
   78   1HG   LYS  11           HG2      LYS  11  28.952   0.595  -4.998
   79   2HG   LYS  11           HG1      LYS  11  28.882  -1.168  -5.048
   80   1HD   LYS  11           HD2      LYS  11  28.271   0.670  -7.383
   81   2HD   LYS  11           HD1      LYS  11  29.771  -0.233  -7.165
   82   1HE   LYS  11           HE2      LYS  11  28.362  -2.354  -7.084
   83   2HE   LYS  11           HE1      LYS  11  26.991  -1.360  -7.618
   84   1HZ   LYS  11           HZ3      LYS  11  28.525  -0.522  -9.414
   85   2HZ   LYS  11           HZ2      LYS  11  29.575  -1.793  -9.005
   86   3HZ   LYS  11           HZ1      LYS  11  28.012  -2.130  -9.581
   87    H    ASP  12           HN       ASP  12  25.279   1.632  -4.131
   88    HA   ASP  12           HA       ASP  12  25.121   3.808  -3.228
   89   1HB   ASP  12           HB2      ASP  12  24.632   2.010  -1.287
   90   2HB   ASP  12           HB1      ASP  12  26.103   2.724  -0.621
   91    H    LYS  13           HN       LYS  13  26.529   5.569  -2.163
   92    HA   LYS  13           HA       LYS  13  28.606   6.728  -2.304
   93   1HB   LYS  13           HB2      LYS  13  29.390   4.062  -1.070
   94   2HB   LYS  13           HB1      LYS  13  30.317   5.556  -0.938
   95   1HG   LYS  13           HG2      LYS  13  28.233   6.612   0.082
   96   2HG   LYS  13           HG1      LYS  13  27.569   4.980   0.188
   97   1HD   LYS  13           HD2      LYS  13  29.284   4.266   1.674
   98   2HD   LYS  13           HD1      LYS  13  30.277   5.682   1.332
   99   1HE   LYS  13           HE2      LYS  13  27.523   5.996   2.536
  100   2HE   LYS  13           HE1      LYS  13  28.941   5.689   3.558
  101   1HZ   LYS  13           HZ3      LYS  13  28.731   7.843   1.518
  102   2HZ   LYS  13           HZ2      LYS  13  28.601   8.073   3.196
  103   3HZ   LYS  13           HZ1      LYS  13  30.068   7.548   2.521
  104    H    CYS  14           HN       CYS  14  31.130   4.866  -2.485
  105    HA   CYS  14           HA       CYS  14  30.901   4.306  -5.421
  106   1HB   CYS  14           HB2      CYS  14  33.259   5.108  -5.560
  107   2HB   CYS  14           HB1      CYS  14  32.154   6.364  -5.006
  108    H    ASN  15           HN       ASN  15  30.928   2.653  -2.710
  109    HA   ASN  15           HA       ASN  15  32.943   0.682  -3.699
  110   1HB   ASN  15           HB2      ASN  15  32.413   1.839  -0.979
  111   2HB   ASN  15           HB1      ASN  15  33.082   0.207  -1.107
  112   1HD2  ASN  15          HD22      ASN  15  35.552   3.298  -1.621
  113   2HD2  ASN  15          HD21      ASN  15  34.036   3.404  -0.864
  114    H    THR  16           HN       THR  16  31.456  -0.490  -0.917
  115    HA   THR  16           HA       THR  16  29.094  -1.506  -2.447
  116    HB   THR  16           HB       THR  16  30.148  -3.721  -1.109
  117    HG1  THR  16           HG1      THR  16  32.178  -2.923  -2.789
  118   1HG2  THR  16          HG21      THR  16  29.213  -2.966  -3.638
  119   2HG2  THR  16          HG23      THR  16  30.825  -3.619  -3.926
  120   3HG2  THR  16          HG22      THR  16  29.609  -4.601  -3.108
  121    H    CYS  17           HN       CYS  17  27.352  -1.283  -1.161
  122    HA   CYS  17           HA       CYS  17  27.723  -1.512   1.789
  123   1HB   CYS  17           HB2      CYS  17  25.561  -0.093   0.251
  124   2HB   CYS  17           HB1      CYS  17  25.823  -0.042   1.993
  125    H    ARG  18           HN       ARG  18  25.548  -2.055   2.870
  126    HA   ARG  18           HA       ARG  18  23.991  -4.123   1.403
  127   1HB   ARG  18           HB2      ARG  18  25.638  -5.460   2.468
  128   2HB   ARG  18           HB1      ARG  18  25.681  -4.421   3.893
  129   1HG   ARG  18           HG2      ARG  18  23.419  -5.147   4.517
  130   2HG   ARG  18           HG1      ARG  18  23.331  -6.154   3.072
  131   1HD   ARG  18           HD2      ARG  18  25.657  -6.559   4.919
  132   2HD   ARG  18           HD1      ARG  18  24.076  -7.213   5.394
  133    HE   ARG  18           HE       ARG  18  24.728  -7.773   2.608
  134   1HH1  ARG  18          HH21      ARG  18  26.737  -8.688   4.955
  135   2HH1  ARG  18          HH22      ARG  18  26.318 -10.368   4.992
  136   1HH2  ARG  18          HH11      ARG  18  23.475  -9.975   3.046
  137   2HH2  ARG  18          HH12      ARG  18  24.472 -11.097   3.913
  138    H    CYS  19           HN       CYS  19  22.042  -2.937   1.553
  139    HA   CYS  19           HA       CYS  19  21.255  -1.186   3.597
  140   1HB   CYS  19           HB2      CYS  19  20.366  -1.986   1.245
  141   2HB   CYS  19           HB1      CYS  19  19.319  -3.016   2.223
  142    H    GLY  20           HN       GLY  20  20.893  -1.568   5.752
  143   1HA   GLY  20           HA2      GLY  20  20.920  -4.270   6.801
  144   2HA   GLY  20           HA1      GLY  20  20.689  -2.802   7.745
  145    H    ALA  21           HN       ALA  21  19.248  -5.078   8.338
  146    HA   ALA  21           HA       ALA  21  16.722  -5.481   7.168
  147   1HB   ALA  21           HB1      ALA  21  18.137  -6.039   9.601
  148   2HB   ALA  21           HB3      ALA  21  16.499  -5.536  10.016
  149   3HB   ALA  21           HB2      ALA  21  16.753  -6.901   8.928
  150    H    ASP  22           HN       ASP  22  17.931  -2.751   8.912
  151    HA   ASP  22           HA       ASP  22  15.207  -1.643   9.364
  152   1HB   ASP  22           HB2      ASP  22  16.565   0.101  10.583
  153   2HB   ASP  22           HB1      ASP  22  16.823  -1.534  11.191
  154    H    GLY  23           HN       GLY  23  14.553   0.291   8.274
  155   1HA   GLY  23           HA2      GLY  23  15.948   0.791   5.731
  156   2HA   GLY  23           HA1      GLY  23  14.414   1.508   6.230
  157    H    LYS  24           HN       LYS  24  17.691   1.507   7.691
  158    HA   LYS  24           HA       LYS  24  17.694   4.478   7.480
  159   1HB   LYS  24           HB2      LYS  24  18.004   2.799   9.983
  160   2HB   LYS  24           HB1      LYS  24  18.346   4.527   9.911
  161   1HG   LYS  24           HG2      LYS  24  16.064   5.048   9.388
  162   2HG   LYS  24           HG1      LYS  24  15.676   3.349   9.113
  163   1HD   LYS  24           HD2      LYS  24  16.678   3.277  11.666
  164   2HD   LYS  24           HD1      LYS  24  15.865   4.842  11.647
  165   1HE   LYS  24           HE2      LYS  24  14.193   2.887  10.334
  166   2HE   LYS  24           HE1      LYS  24  14.644   2.307  11.949
  167   1HZ   LYS  24           HZ1      LYS  24  13.946   5.135  11.621
  168   2HZ   LYS  24           HZ3      LYS  24  12.683   4.003  11.642
  169   3HZ   LYS  24           HZ2      LYS  24  13.738   4.121  12.968
  170    H    SER  25           HN       SER  25  19.443   1.582   7.077
  171    HA   SER  25           HA       SER  25  21.813   3.167   6.583
  172   1HB   SER  25           HB2      SER  25  23.179   2.153   8.374
  173   2HB   SER  25           HB1      SER  25  21.804   3.024   9.045
  174    HG   SER  25           HG       SER  25  21.491   1.163  10.003
  175    H    ALA  26           HN       ALA  26  23.761   1.225   6.751
  176    HA   ALA  26           HA       ALA  26  23.006  -1.337   5.660
  177   1HB   ALA  26           HB3      ALA  26  22.323   0.292   3.859
  178   2HB   ALA  26           HB2      ALA  26  24.015   0.761   3.716
  179   3HB   ALA  26           HB1      ALA  26  23.522  -0.881   3.324
  180    H    ALA  27           HN       ALA  27  24.811  -2.596   6.189
  181    HA   ALA  27           HA       ALA  27  27.309  -1.388   6.993
  182   1HB   ALA  27           HB2      ALA  27  26.138  -4.048   6.670
  183   2HB   ALA  27           HB1      ALA  27  27.862  -4.013   6.294
  184   3HB   ALA  27           HB3      ALA  27  27.293  -3.472   7.873
  185    H    CYS  28           HN       CYS  28  29.036  -0.829   5.718
  186    HA   CYS  28           HA       CYS  28  28.953  -1.718   2.873
  187   1HB   CYS  28           HB2      CYS  28  28.143   0.645   3.552
  188   2HB   CYS  28           HB1      CYS  28  29.845   1.008   3.757
  189    H    THR  29           HN       THR  29  31.089  -0.927   1.790
  190    HA   THR  29           HA       THR  29  33.441  -1.369   3.543
  191    HB   THR  29           HB       THR  29  32.329  -3.454   2.247
  192    HG1  THR  29           HG1      THR  29  35.028  -2.762   2.618
  193   1HG2  THR  29          HG22      THR  29  32.618  -2.112   0.061
  194   2HG2  THR  29          HG21      THR  29  34.335  -2.489   0.212
  195   3HG2  THR  29          HG23      THR  29  33.156  -3.792   0.058
  196    H    LEU  30           HN       LEU  30  35.442  -0.808   2.251
  197    HA   LEU  30           HA       LEU  30  34.786   1.383   0.329
  198   1HB   LEU  30           HB2      LEU  30  37.135   1.163   2.220
  199   2HB   LEU  30           HB1      LEU  30  36.596   2.598   1.346
  200    HG   LEU  30           HG       LEU  30  34.798   1.156   3.306
  201   1HD1  LEU  30          HD12      LEU  30  37.169   2.324   4.049
  202   2HD1  LEU  30          HD11      LEU  30  36.036   3.669   4.190
  203   3HD1  LEU  30          HD13      LEU  30  35.748   2.176   5.085
  204   1HD2  LEU  30          HD23      LEU  30  33.926   2.812   1.553
  205   2HD2  LEU  30          HD22      LEU  30  33.512   3.165   3.232
  206   3HD2  LEU  30          HD21      LEU  30  34.813   4.054   2.438
  207    H    LYS  31           HN       LYS  31  36.689   1.963  -1.056
  208    HA   LYS  31           HA       LYS  31  38.895   0.382  -1.726
  209   1HB   LYS  31           HB2      LYS  31  36.318  -0.840  -2.293
  210   2HB   LYS  31           HB1      LYS  31  37.221  -0.598  -3.788
  211   1HG   LYS  31           HG2      LYS  31  39.124  -1.814  -2.910
  212   2HG   LYS  31           HG1      LYS  31  38.374  -1.920  -1.315
  213   1HD   LYS  31           HD2      LYS  31  37.039  -3.654  -1.926
  214   2HD   LYS  31           HD1      LYS  31  36.691  -2.946  -3.503
  215   1HE   LYS  31           HE2      LYS  31  38.272  -4.223  -4.510
  216   2HE   LYS  31           HE1      LYS  31  39.483  -3.798  -3.282
  217   1HZ   LYS  31           HZ3      LYS  31  38.381  -5.329  -1.745
  218   2HZ   LYS  31           HZ2      LYS  31  37.287  -5.779  -2.964
  219   3HZ   LYS  31           HZ1      LYS  31  38.939  -6.141  -3.126
  220    H    ALA  32           HN       ALA  32  39.376   0.729  -4.251
  221    HA   ALA  32           HA       ALA  32  39.432   3.435  -4.885
  222   1HB   ALA  32           HB2      ALA  32  39.267   0.924  -6.548
  223   2HB   ALA  32           HB1      ALA  32  39.421   2.505  -7.316
  224   3HB   ALA  32           HB3      ALA  32  40.675   1.933  -6.218
  225    H    CYS  33           HN       CYS  33  38.039   4.844  -6.047
  226    HA   CYS  33           HA       CYS  33  35.208   3.884  -6.309
  227   1HB   CYS  33           HB2      CYS  33  36.370   6.595  -5.588
  228   2HB   CYS  33           HB1      CYS  33  34.648   6.280  -5.799
  229    HA   PRO  34           HA       PRO  34  35.905   4.653 -10.619
  230   1HB   PRO  34           HB2      PRO  34  33.266   4.492 -11.382
  231   2HB   PRO  34           HB1      PRO  34  34.285   3.074 -11.052
  232   1HG   PRO  34           HG2      PRO  34  32.324   4.444  -9.259
  233   2HG   PRO  34           HG1      PRO  34  32.563   2.710  -9.547
  234   1HD   PRO  34           HD2      PRO  34  33.553   3.895  -7.363
  235   2HD   PRO  34           HD1      PRO  34  34.458   2.613  -8.204
  236    H    ASN  35           HN       ASN  35  35.710   6.446 -12.011
  237    HA   ASN  35           HA       ASN  35  33.792   8.569 -11.699
  238   1HB   ASN  35           HB2      ASN  35  35.029   8.837  -9.579
  239   2HB   ASN  35           HB1      ASN  35  36.545   8.961 -10.474
  240   1HD2  ASN  35          HD22      ASN  35  34.952  12.383  -9.759
  241   2HD2  ASN  35          HD21      ASN  35  35.138  11.032  -8.749
  242    H    GLN  36           HN       GLN  36  37.314   8.319 -12.351
  243    HA   GLN  36           HA       GLN  36  38.553   9.125 -14.208
  244   1HB   GLN  36           HB2      GLN  36  36.123   7.998 -15.629
  245   2HB   GLN  36           HB1      GLN  36  37.778   8.059 -16.236
  246   1HG   GLN  36           HG2      GLN  36  38.010   6.742 -13.789
  247   2HG   GLN  36           HG1      GLN  36  36.526   6.089 -14.486
  248   1HE2  GLN  36          HE22      GLN  36  38.335   4.916 -17.474
  249   2HE2  GLN  36          HE21      GLN  36  36.940   5.817 -17.124
   
  No H/Q in entry =         249
  Start of MODEL   22
    1   1H    GLU   1           HT1      GLU   1  18.593   8.828   7.690
    2   2H    GLU   1           HT3      GLU   1  20.021   8.981   8.591
    3   3H    GLU   1           HT2      GLU   1  18.941  10.289   8.484
    4    HA   GLU   1           HA       GLU   1  19.624  10.892   6.409
    5   1HB   GLU   1           HB2      GLU   1  21.539  10.220   8.297
    6   2HB   GLU   1           HB1      GLU   1  22.143   9.445   6.833
    7   1HG   GLU   1           HG2      GLU   1  22.736  11.425   5.939
    8   2HG   GLU   1           HG1      GLU   1  21.141  12.107   6.256
    9    H    ILE   2           HN       ILE   2  20.615   7.487   6.915
   10    HA   ILE   2           HA       ILE   2  20.694   6.977   4.015
   11    HB   ILE   2           HB       ILE   2  21.143   5.429   6.551
   12   1HG1  ILE   2          HG12      ILE   2  22.817   6.431   4.256
   13   2HG1  ILE   2          HG11      ILE   2  23.056   6.689   5.983
   14   1HG2  ILE   2          HG21      ILE   2  21.125   4.300   3.748
   15   2HG2  ILE   2          HG23      ILE   2  21.731   3.458   5.172
   16   3HG2  ILE   2          HG22      ILE   2  20.022   3.871   5.056
   17   1HD1  ILE   2          HD11      ILE   2  23.495   4.195   6.188
   18   2HD1  ILE   2          HD13      ILE   2  23.508   4.130   4.425
   19   3HD1  ILE   2          HD12      ILE   2  24.714   5.091   5.281
   20    H    SER   3           HN       SER   3  19.508   4.987   3.255
   21    HA   SER   3           HA       SER   3  17.205   3.967   4.559
   22   1HB   SER   3           HB2      SER   3  16.930   6.464   2.930
   23   2HB   SER   3           HB1      SER   3  15.636   5.274   2.820
   24    HG   SER   3           HG       SER   3  15.105   6.526   4.529
   25    H    CYS   4           HN       CYS   4  16.132   2.381   3.227
   26    HA   CYS   4           HA       CYS   4  16.340   2.054   0.435
   27   1HB   CYS   4           HB2      CYS   4  18.255   0.305   0.496
   28   2HB   CYS   4           HB1      CYS   4  18.705   2.005   0.566
   29    H    GLU   5           HN       GLU   5  16.250  -0.447  -0.137
   30    HA   GLU   5           HA       GLU   5  14.053  -1.599   1.318
   31   1HB   GLU   5           HB2      GLU   5  14.973  -1.904  -1.126
   32   2HB   GLU   5           HB1      GLU   5  15.978  -3.158  -0.399
   33   1HG   GLU   5           HG2      GLU   5  14.171  -4.489  -0.804
   34   2HG   GLU   5           HG1      GLU   5  13.556  -3.770   0.685
   35    HA   PRO   6           HA       PRO   6  16.762  -2.958   4.646
   36   1HB   PRO   6           HB2      PRO   6  14.707  -3.944   6.186
   37   2HB   PRO   6           HB1      PRO   6  15.177  -2.231   6.151
   38   1HG   PRO   6           HG2      PRO   6  12.975  -3.622   4.688
   39   2HG   PRO   6           HG1      PRO   6  12.961  -2.057   5.524
   40   1HD   PRO   6           HD2      PRO   6  13.166  -2.209   2.855
   41   2HD   PRO   6           HD1      PRO   6  14.036  -0.965   3.785
   42    H    GLY   7           HN       GLY   7  17.833  -4.869   4.559
   43   1HA   GLY   7           HA2      GLY   7  17.834  -7.304   4.822
   44   2HA   GLY   7           HA1      GLY   7  16.273  -7.349   4.001
   45    H    LYS   8           HN       LYS   8  17.644  -5.185   2.152
   46    HA   LYS   8           HA       LYS   8  18.795  -7.240   0.314
   47   1HB   LYS   8           HB2      LYS   8  17.942  -4.429  -0.372
   48   2HB   LYS   8           HB1      LYS   8  18.051  -5.829  -1.437
   49   1HG   LYS   8           HG2      LYS   8  16.285  -6.562   0.651
   50   2HG   LYS   8           HG1      LYS   8  15.805  -4.943   0.141
   51   1HD   LYS   8           HD2      LYS   8  15.172  -5.641  -1.945
   52   2HD   LYS   8           HD1      LYS   8  16.447  -6.857  -2.036
   53   1HE   LYS   8           HE2      LYS   8  14.462  -7.441   0.054
   54   2HE   LYS   8           HE1      LYS   8  13.780  -7.422  -1.585
   55   1HZ   LYS   8           HZ3      LYS   8  16.361  -8.741  -1.013
   56   2HZ   LYS   8           HZ2      LYS   8  14.893  -9.570  -0.800
   57   3HZ   LYS   8           HZ1      LYS   8  15.323  -8.977  -2.334
   58    H    THR   9           HN       THR   9  20.515  -6.294  -1.183
   59    HA   THR   9           HA       THR   9  22.399  -4.590   0.404
   60    HB   THR   9           HB       THR   9  23.150  -6.658  -1.659
   61    HG1  THR   9           HG1      THR   9  22.319  -8.044  -0.321
   62   1HG2  THR   9          HG23      THR   9  24.824  -4.982  -0.802
   63   2HG2  THR   9          HG22      THR   9  24.613  -5.683   0.802
   64   3HG2  THR   9          HG21      THR   9  25.264  -6.664  -0.510
   65    H    PHE  10           HN       PHE  10  23.850  -3.255  -0.926
   66    HA   PHE  10           HA       PHE  10  23.245  -2.927  -3.776
   67   1HB   PHE  10           HB2      PHE  10  22.557  -0.505  -3.391
   68   2HB   PHE  10           HB1      PHE  10  21.383  -1.719  -2.905
   69    HD1  PHE  10           HD2      PHE  10  24.171  -1.689  -0.637
   70    HD2  PHE  10           HD1      PHE  10  20.535   0.379  -1.606
   71    HE1  PHE  10           HE2      PHE  10  24.084  -0.765   1.638
   72    HE2  PHE  10           HE1      PHE  10  20.490   1.338   0.676
   73    HZ   PHE  10           HZ       PHE  10  22.292   0.771   2.283
   74    H    LYS  11           HN       LYS  11  24.261  -0.393  -4.131
   75    HA   LYS  11           HA       LYS  11  27.117  -0.806  -3.364
   76   1HB   LYS  11           HB2      LYS  11  26.428  -0.643  -5.754
   77   2HB   LYS  11           HB1      LYS  11  25.786   0.969  -5.441
   78   1HG   LYS  11           HG2      LYS  11  28.387   1.031  -4.404
   79   2HG   LYS  11           HG1      LYS  11  28.533   0.156  -5.928
   80   1HD   LYS  11           HD2      LYS  11  27.112   2.816  -5.623
   81   2HD   LYS  11           HD1      LYS  11  28.772   2.637  -6.192
   82   1HE   LYS  11           HE2      LYS  11  28.002   1.275  -8.091
   83   2HE   LYS  11           HE1      LYS  11  26.328   1.396  -7.510
   84   1HZ   LYS  11           HZ2      LYS  11  27.826   3.887  -7.734
   85   2HZ   LYS  11           HZ1      LYS  11  27.373   3.152  -9.198
   86   3HZ   LYS  11           HZ3      LYS  11  26.189   3.573  -8.060
   87    H    ASP  12           HN       ASP  12  25.013   2.037  -3.958
   88    HA   ASP  12           HA       ASP  12  24.940   4.128  -2.855
   89   1HB   ASP  12           HB2      ASP  12  24.311   2.181  -1.118
   90   2HB   ASP  12           HB1      ASP  12  25.799   2.735  -0.349
   91    H    LYS  13           HN       LYS  13  26.399   5.645  -1.457
   92    HA   LYS  13           HA       LYS  13  28.519   6.724  -1.403
   93   1HB   LYS  13           HB2      LYS  13  29.410   3.921  -0.685
   94   2HB   LYS  13           HB1      LYS  13  30.040   5.447  -0.064
   95   1HG   LYS  13           HG2      LYS  13  27.334   4.207   0.488
   96   2HG   LYS  13           HG1      LYS  13  28.615   4.558   1.649
   97   1HD   LYS  13           HD2      LYS  13  27.194   6.681   0.019
   98   2HD   LYS  13           HD1      LYS  13  26.738   6.239   1.666
   99   1HE   LYS  13           HE2      LYS  13  28.477   7.403   2.563
  100   2HE   LYS  13           HE1      LYS  13  29.620   6.773   1.359
  101   1HZ   LYS  13           HZ2      LYS  13  28.321   8.237  -0.270
  102   2HZ   LYS  13           HZ1      LYS  13  27.748   9.046   1.110
  103   3HZ   LYS  13           HZ3      LYS  13  29.412   9.004   0.782
  104    H    CYS  14           HN       CYS  14  31.013   4.962  -1.836
  105    HA   CYS  14           HA       CYS  14  30.850   4.868  -4.830
  106   1HB   CYS  14           HB2      CYS  14  33.143   5.674  -4.825
  107   2HB   CYS  14           HB1      CYS  14  32.180   6.739  -3.800
  108    H    ASN  15           HN       ASN  15  30.886   2.829  -2.284
  109    HA   ASN  15           HA       ASN  15  32.707   0.911  -3.683
  110   1HB   ASN  15           HB2      ASN  15  32.378   1.682  -0.798
  111   2HB   ASN  15           HB1      ASN  15  32.959   0.061  -1.201
  112   1HD2  ASN  15          HD22      ASN  15  35.530   3.118  -1.439
  113   2HD2  ASN  15          HD21      ASN  15  34.048   3.197  -0.613
  114    H    THR  16           HN       THR  16  31.281  -0.528  -0.982
  115    HA   THR  16           HA       THR  16  28.826  -1.280  -2.527
  116    HB   THR  16           HB       THR  16  29.851  -3.637  -1.387
  117    HG1  THR  16           HG1      THR  16  31.862  -3.519  -2.808
  118   1HG2  THR  16          HG23      THR  16  29.543  -2.527  -4.166
  119   2HG2  THR  16          HG22      THR  16  30.199  -4.144  -3.906
  120   3HG2  THR  16          HG21      THR  16  28.570  -3.754  -3.355
  121    H    CYS  17           HN       CYS  17  27.128  -1.116  -1.168
  122    HA   CYS  17           HA       CYS  17  27.599  -1.529   1.746
  123   1HB   CYS  17           HB2      CYS  17  25.414  -0.011   0.348
  124   2HB   CYS  17           HB1      CYS  17  25.713  -0.059   2.084
  125    H    ARG  18           HN       ARG  18  25.452  -2.096   2.881
  126    HA   ARG  18           HA       ARG  18  23.844  -4.089   1.375
  127   1HB   ARG  18           HB2      ARG  18  25.650  -5.363   2.371
  128   2HB   ARG  18           HB1      ARG  18  25.461  -4.519   3.908
  129   1HG   ARG  18           HG2      ARG  18  22.918  -5.581   3.292
  130   2HG   ARG  18           HG1      ARG  18  24.076  -6.868   2.954
  131   1HD   ARG  18           HD2      ARG  18  24.416  -5.310   5.495
  132   2HD   ARG  18           HD1      ARG  18  23.136  -6.538   5.418
  133    HE   ARG  18           HE       ARG  18  25.706  -7.448   4.349
  134   1HH1  ARG  18          HH11      ARG  18  25.555  -6.464   7.380
  135   2HH1  ARG  18          HH12      ARG  18  25.473  -8.013   8.152
  136   1HH2  ARG  18          HH21      ARG  18  24.795  -9.736   5.220
  137   2HH2  ARG  18          HH22      ARG  18  25.043  -9.865   6.929
  138    H    CYS  19           HN       CYS  19  21.904  -2.881   1.632
  139    HA   CYS  19           HA       CYS  19  21.212  -1.251   3.816
  140   1HB   CYS  19           HB2      CYS  19  20.117  -1.556   1.548
  141   2HB   CYS  19           HB1      CYS  19  19.313  -2.985   2.216
  142    H    GLY  20           HN       GLY  20  20.750  -1.688   5.913
  143   1HA   GLY  20           HA2      GLY  20  20.752  -4.460   6.838
  144   2HA   GLY  20           HA1      GLY  20  20.615  -3.030   7.858
  145    H    ALA  21           HN       ALA  21  19.030  -4.996   8.627
  146    HA   ALA  21           HA       ALA  21  16.524  -5.461   7.451
  147   1HB   ALA  21           HB3      ALA  21  17.624  -5.289  10.235
  148   2HB   ALA  21           HB2      ALA  21  15.884  -5.493  10.030
  149   3HB   ALA  21           HB1      ALA  21  16.997  -6.693   9.371
  150    H    ASP  22           HN       ASP  22  17.773  -2.554   8.865
  151    HA   ASP  22           HA       ASP  22  15.077  -1.326   9.089
  152   1HB   ASP  22           HB2      ASP  22  17.817  -0.888  10.110
  153   2HB   ASP  22           HB1      ASP  22  16.938   0.591   9.723
  154    H    GLY  23           HN       GLY  23  14.413   0.331   7.672
  155   1HA   GLY  23           HA2      GLY  23  15.883   0.510   5.137
  156   2HA   GLY  23           HA1      GLY  23  14.316   1.244   5.480
  157    H    LYS  24           HN       LYS  24  17.479   1.575   7.127
  158    HA   LYS  24           HA       LYS  24  17.708   4.372   6.243
  159   1HB   LYS  24           HB2      LYS  24  16.749   3.476   8.925
  160   2HB   LYS  24           HB1      LYS  24  17.818   4.878   8.868
  161   1HG   LYS  24           HG2      LYS  24  16.069   6.157   8.269
  162   2HG   LYS  24           HG1      LYS  24  15.913   5.211   6.788
  163   1HD   LYS  24           HD2      LYS  24  14.498   3.577   7.967
  164   2HD   LYS  24           HD1      LYS  24  14.667   4.500   9.460
  165   1HE   LYS  24           HE2      LYS  24  13.830   6.391   7.557
  166   2HE   LYS  24           HE1      LYS  24  12.838   4.951   7.248
  167   1HZ   LYS  24           HZ1      LYS  24  12.886   4.939   9.898
  168   2HZ   LYS  24           HZ3      LYS  24  12.997   6.611   9.637
  169   3HZ   LYS  24           HZ2      LYS  24  11.682   5.740   9.006
  170    H    SER  25           HN       SER  25  19.266   1.640   6.533
  171    HA   SER  25           HA       SER  25  21.792   2.998   6.964
  172   1HB   SER  25           HB2      SER  25  22.251   1.221   8.896
  173   2HB   SER  25           HB1      SER  25  21.456   2.751   9.255
  174    HG   SER  25           HG       SER  25  20.138   0.317   8.604
  175    H    ALA  26           HN       ALA  26  23.612   1.170   6.984
  176    HA   ALA  26           HA       ALA  26  22.983  -1.410   5.863
  177   1HB   ALA  26           HB2      ALA  26  22.264   0.234   4.066
  178   2HB   ALA  26           HB1      ALA  26  23.958   0.685   3.907
  179   3HB   ALA  26           HB3      ALA  26  23.447  -0.957   3.540
  180    H    ALA  27           HN       ALA  27  24.844  -2.662   6.129
  181    HA   ALA  27           HA       ALA  27  27.317  -1.362   7.009
  182   1HB   ALA  27           HB2      ALA  27  26.131  -3.913   7.123
  183   2HB   ALA  27           HB1      ALA  27  27.593  -4.117   6.158
  184   3HB   ALA  27           HB3      ALA  27  27.699  -3.447   7.786
  185    H    CYS  28           HN       CYS  28  29.084  -0.903   5.684
  186    HA   CYS  28           HA       CYS  28  28.813  -1.756   2.841
  187   1HB   CYS  28           HB2      CYS  28  28.246   0.659   3.631
  188   2HB   CYS  28           HB1      CYS  28  29.985   0.868   3.681
  189    H    THR  29           HN       THR  29  30.947  -1.077   1.663
  190    HA   THR  29           HA       THR  29  33.324  -1.848   3.272
  191    HB   THR  29           HB       THR  29  31.960  -3.649   1.747
  192    HG1  THR  29           HG1      THR  29  34.768  -3.403   2.030
  193   1HG2  THR  29          HG22      THR  29  32.555  -2.077  -0.256
  194   2HG2  THR  29          HG21      THR  29  34.156  -2.801  -0.123
  195   3HG2  THR  29          HG23      THR  29  32.754  -3.819  -0.449
  196    H    LEU  30           HN       LEU  30  35.317  -1.255   2.052
  197    HA   LEU  30           HA       LEU  30  34.812   1.184   0.402
  198   1HB   LEU  30           HB2      LEU  30  37.252   0.492   2.049
  199   2HB   LEU  30           HB1      LEU  30  36.763   2.080   1.456
  200    HG   LEU  30           HG       LEU  30  34.978   0.511   3.320
  201   1HD1  LEU  30          HD13      LEU  30  37.432   0.941   4.156
  202   2HD1  LEU  30          HD12      LEU  30  36.864   2.602   4.339
  203   3HD1  LEU  30          HD11      LEU  30  36.065   1.295   5.212
  204   1HD2  LEU  30          HD23      LEU  30  35.064   3.179   2.101
  205   2HD2  LEU  30          HD22      LEU  30  33.700   2.313   2.810
  206   3HD2  LEU  30          HD21      LEU  30  34.802   3.223   3.845
  207    H    LYS  31           HN       LYS  31  36.657   1.726  -1.048
  208    HA   LYS  31           HA       LYS  31  38.658   0.055  -2.039
  209   1HB   LYS  31           HB2      LYS  31  35.965  -0.913  -2.527
  210   2HB   LYS  31           HB1      LYS  31  36.770  -0.570  -4.059
  211   1HG   LYS  31           HG2      LYS  31  38.332  -2.220  -3.765
  212   2HG   LYS  31           HG1      LYS  31  38.391  -1.995  -2.015
  213   1HD   LYS  31           HD2      LYS  31  36.699  -3.483  -1.632
  214   2HD   LYS  31           HD1      LYS  31  35.821  -3.013  -3.088
  215   1HE   LYS  31           HE2      LYS  31  37.653  -4.209  -4.422
  216   2HE   LYS  31           HE1      LYS  31  38.180  -4.903  -2.875
  217   1HZ   LYS  31           HZ3      LYS  31  35.604  -5.303  -2.637
  218   2HZ   LYS  31           HZ2      LYS  31  35.673  -5.309  -4.336
  219   3HZ   LYS  31           HZ1      LYS  31  36.595  -6.421  -3.441
  220    H    ALA  32           HN       ALA  32  38.938   0.583  -4.582
  221    HA   ALA  32           HA       ALA  32  39.294   3.302  -4.973
  222   1HB   ALA  32           HB2      ALA  32  39.325   0.923  -6.498
  223   2HB   ALA  32           HB1      ALA  32  38.350   2.073  -7.413
  224   3HB   ALA  32           HB3      ALA  32  40.001   2.487  -6.953
  225    H    CYS  33           HN       CYS  33  38.028   4.995  -5.854
  226    HA   CYS  33           HA       CYS  33  35.102   4.471  -6.193
  227   1HB   CYS  33           HB2      CYS  33  36.478   6.610  -4.531
  228   2HB   CYS  33           HB1      CYS  33  34.743   6.569  -4.847
  229    HA   PRO  34           HA       PRO  34  36.353   6.684  -9.898
  230   1HB   PRO  34           HB2      PRO  34  33.875   6.537 -11.086
  231   2HB   PRO  34           HB1      PRO  34  35.058   5.212 -11.112
  232   1HG   PRO  34           HG2      PRO  34  32.718   5.617  -9.295
  233   2HG   PRO  34           HG1      PRO  34  33.254   4.144 -10.125
  234   1HD   PRO  34           HD2      PRO  34  33.795   4.541  -7.536
  235   2HD   PRO  34           HD1      PRO  34  34.979   3.761  -8.613
  236    H    ASN  35           HN       ASN  35  36.625   8.830  -9.368
  237    HA   ASN  35           HA       ASN  35  34.143  10.468  -8.980
  238   1HB   ASN  35           HB2      ASN  35  35.761   9.850  -6.964
  239   2HB   ASN  35           HB1      ASN  35  36.737  11.156  -7.639
  240   1HD2  ASN  35          HD22      ASN  35  34.748  13.351  -5.700
  241   2HD2  ASN  35          HD21      ASN  35  36.295  12.702  -5.957
  242    H    GLN  36           HN       GLN  36  36.766   9.872 -10.922
  243    HA   GLN  36           HA       GLN  36  37.586  12.617 -11.520
  244   1HB   GLN  36           HB2      GLN  36  37.987   9.968 -12.952
  245   2HB   GLN  36           HB1      GLN  36  38.873  11.455 -13.295
  246   1HG   GLN  36           HG2      GLN  36  39.940  11.437 -11.170
  247   2HG   GLN  36           HG1      GLN  36  38.821  10.232 -10.533
  248   1HE2  GLN  36          HE22      GLN  36  40.712   7.503 -11.710
  249   2HE2  GLN  36          HE21      GLN  36  39.389   8.038 -10.793
   
  No H/Q in entry =         249
  Start of MODEL   23
    1   1H    GLU   1           HT2      GLU   1  21.221  10.740   6.724
    2   2H    GLU   1           HT1      GLU   1  20.971  11.099   8.365
    3   3H    GLU   1           HT3      GLU   1  22.225  10.051   7.910
    4    HA   GLU   1           HA       GLU   1  20.583   8.591   8.657
    5   1HB   GLU   1           HB2      GLU   1  19.021  10.896   7.956
    6   2HB   GLU   1           HB1      GLU   1  18.279   9.473   7.223
    7   1HG   GLU   1           HG2      GLU   1  17.573   8.706   9.224
    8   2HG   GLU   1           HG1      GLU   1  19.166   8.937   9.946
    9    H    ILE   2           HN       ILE   2  18.912   7.173   7.160
   10    HA   ILE   2           HA       ILE   2  19.741   7.109   4.324
   11    HB   ILE   2           HB       ILE   2  20.582   5.145   6.433
   12   1HG1  ILE   2          HG12      ILE   2  21.921   6.716   4.241
   13   2HG1  ILE   2          HG11      ILE   2  22.313   6.680   5.959
   14   1HG2  ILE   2          HG22      ILE   2  20.371   4.569   3.477
   15   2HG2  ILE   2          HG21      ILE   2  21.180   3.538   4.650
   16   3HG2  ILE   2          HG23      ILE   2  19.441   3.794   4.760
   17   1HD1  ILE   2          HD12      ILE   2  23.079   4.331   5.725
   18   2HD1  ILE   2          HD11      ILE   2  22.718   4.396   4.000
   19   3HD1  ILE   2          HD13      ILE   2  23.990   5.415   4.674
   20    H    SER   3           HN       SER   3  18.702   5.217   3.252
   21    HA   SER   3           HA       SER   3  16.637   3.678   4.442
   22   1HB   SER   3           HB2      SER   3  15.976   6.389   3.332
   23   2HB   SER   3           HB1      SER   3  14.816   5.090   3.063
   24    HG   SER   3           HG       SER   3  15.434   6.457   5.343
   25    H    CYS   4           HN       CYS   4  15.591   2.314   2.735
   26    HA   CYS   4           HA       CYS   4  16.044   2.710  -0.066
   27   1HB   CYS   4           HB2      CYS   4  18.224   2.174  -0.247
   28   2HB   CYS   4           HB1      CYS   4  18.330   2.112   1.494
   29    H    GLU   5           HN       GLU   5  16.361   0.042   2.222
   30    HA   GLU   5           HA       GLU   5  13.899  -1.242   2.001
   31   1HB   GLU   5           HB2      GLU   5  15.482  -1.308  -0.457
   32   2HB   GLU   5           HB1      GLU   5  15.119  -2.936   0.119
   33   1HG   GLU   5           HG2      GLU   5  12.751  -2.478   0.150
   34   2HG   GLU   5           HG1      GLU   5  13.025  -0.766  -0.176
   35    HA   PRO   6           HA       PRO   6  16.936  -3.101   4.768
   36   1HB   PRO   6           HB2      PRO   6  15.040  -4.126   6.485
   37   2HB   PRO   6           HB1      PRO   6  15.664  -2.469   6.566
   38   1HG   PRO   6           HG2      PRO   6  13.139  -3.485   5.357
   39   2HG   PRO   6           HG1      PRO   6  13.433  -2.016   6.307
   40   1HD   PRO   6           HD2      PRO   6  13.196  -1.966   3.617
   41   2HD   PRO   6           HD1      PRO   6  14.258  -0.846   4.498
   42    H    GLY   7           HN       GLY   7  17.845  -5.034   4.399
   43   1HA   GLY   7           HA2      GLY   7  17.621  -7.502   4.464
   44   2HA   GLY   7           HA1      GLY   7  16.070  -7.318   3.642
   45    H    LYS   8           HN       LYS   8  17.604  -5.079   2.037
   46    HA   LYS   8           HA       LYS   8  18.640  -7.015   0.010
   47   1HB   LYS   8           HB2      LYS   8  18.041  -4.109  -0.473
   48   2HB   LYS   8           HB1      LYS   8  17.971  -5.457  -1.606
   49   1HG   LYS   8           HG2      LYS   8  16.067  -4.963   0.706
   50   2HG   LYS   8           HG1      LYS   8  15.696  -4.778  -1.009
   51   1HD   LYS   8           HD2      LYS   8  15.330  -6.990  -1.262
   52   2HD   LYS   8           HD1      LYS   8  16.822  -7.403  -0.414
   53   1HE   LYS   8           HE2      LYS   8  15.413  -8.191   1.211
   54   2HE   LYS   8           HE1      LYS   8  15.229  -6.480   1.646
   55   1HZ   LYS   8           HZ3      LYS   8  13.471  -6.350  -0.089
   56   2HZ   LYS   8           HZ2      LYS   8  13.555  -8.041  -0.248
   57   3HZ   LYS   8           HZ1      LYS   8  13.063  -7.346   1.223
   58    H    THR   9           HN       THR   9  20.459  -6.181  -1.321
   59    HA   THR   9           HA       THR   9  22.390  -4.563   0.305
   60    HB   THR   9           HB       THR   9  23.114  -6.776  -1.612
   61    HG1  THR   9           HG1      THR   9  23.244  -7.978   0.502
   62   1HG2  THR   9          HG21      THR   9  24.799  -5.108  -0.639
   63   2HG2  THR   9          HG23      THR   9  24.500  -5.883   0.917
   64   3HG2  THR   9          HG22      THR   9  25.170  -6.818  -0.419
   65    H    PHE  10           HN       PHE  10  23.977  -3.386  -1.069
   66    HA   PHE  10           HA       PHE  10  23.471  -3.221  -3.950
   67   1HB   PHE  10           HB2      PHE  10  22.804  -0.755  -3.708
   68   2HB   PHE  10           HB1      PHE  10  21.593  -1.947  -3.257
   69    HD1  PHE  10           HD2      PHE  10  24.323  -1.761  -0.887
   70    HD2  PHE  10           HD1      PHE  10  20.606   0.074  -2.014
   71    HE1  PHE  10           HE2      PHE  10  24.125  -0.772   1.351
   72    HE2  PHE  10           HE1      PHE  10  20.447   1.093   0.235
   73    HZ   PHE  10           HZ       PHE  10  22.241   0.683   1.897
   74    H    LYS  11           HN       LYS  11  24.504  -0.697  -4.398
   75    HA   LYS  11           HA       LYS  11  27.331  -1.079  -3.518
   76   1HB   LYS  11           HB2      LYS  11  26.278  -0.859  -5.970
   77   2HB   LYS  11           HB1      LYS  11  26.454   0.861  -5.625
   78   1HG   LYS  11           HG2      LYS  11  28.728   0.777  -5.717
   79   2HG   LYS  11           HG1      LYS  11  28.794  -0.793  -4.916
   80   1HD   LYS  11           HD2      LYS  11  27.637  -0.755  -7.654
   81   2HD   LYS  11           HD1      LYS  11  29.376  -0.487  -7.527
   82   1HE   LYS  11           HE2      LYS  11  28.440  -2.680  -5.810
   83   2HE   LYS  11           HE1      LYS  11  28.168  -2.977  -7.539
   84   1HZ   LYS  11           HZ1      LYS  11  30.719  -1.892  -6.496
   85   2HZ   LYS  11           HZ3      LYS  11  30.454  -3.559  -6.668
   86   3HZ   LYS  11           HZ2      LYS  11  30.411  -2.547  -8.033
   87    H    ASP  12           HN       ASP  12  25.176   1.692  -4.276
   88    HA   ASP  12           HA       ASP  12  25.062   3.841  -3.298
   89   1HB   ASP  12           HB2      ASP  12  24.394   1.964  -1.498
   90   2HB   ASP  12           HB1      ASP  12  25.842   2.580  -0.700
   91    H    LYS  13           HN       LYS  13  26.427   5.404  -1.810
   92    HA   LYS  13           HA       LYS  13  28.510   6.558  -1.732
   93   1HB   LYS  13           HB2      LYS  13  29.374   3.780  -0.872
   94   2HB   LYS  13           HB1      LYS  13  30.049   5.319  -0.336
   95   1HG   LYS  13           HG2      LYS  13  27.307   5.531   0.193
   96   2HG   LYS  13           HG1      LYS  13  27.727   3.885   0.670
   97   1HD   LYS  13           HD2      LYS  13  29.242   6.362   1.544
   98   2HD   LYS  13           HD1      LYS  13  28.032   5.533   2.524
   99   1HE   LYS  13           HE2      LYS  13  29.424   3.750   2.972
  100   2HE   LYS  13           HE1      LYS  13  30.236   3.857   1.398
  101   1HZ   LYS  13           HZ3      LYS  13  30.493   6.128   3.221
  102   2HZ   LYS  13           HZ2      LYS  13  31.384   4.729   3.593
  103   3HZ   LYS  13           HZ1      LYS  13  31.607   5.512   2.101
  104    H    CYS  14           HN       CYS  14  31.080   4.913  -2.004
  105    HA   CYS  14           HA       CYS  14  31.049   4.698  -4.995
  106   1HB   CYS  14           HB2      CYS  14  33.308   5.591  -4.919
  107   2HB   CYS  14           HB1      CYS  14  32.259   6.652  -3.981
  108    H    ASN  15           HN       ASN  15  30.993   2.735  -2.421
  109    HA   ASN  15           HA       ASN  15  32.948   0.833  -3.649
  110   1HB   ASN  15           HB2      ASN  15  32.463   1.688  -0.809
  111   2HB   ASN  15           HB1      ASN  15  33.118   0.077  -1.135
  112   1HD2  ASN  15          HD22      ASN  15  35.616   3.179  -1.296
  113   2HD2  ASN  15          HD21      ASN  15  34.117   3.194  -0.498
  114    H    THR  16           HN       THR  16  31.432  -0.530  -0.951
  115    HA   THR  16           HA       THR  16  29.073  -1.416  -2.577
  116    HB   THR  16           HB       THR  16  30.117  -3.683  -1.266
  117    HG1  THR  16           HG1      THR  16  32.050  -2.513  -2.954
  118   1HG2  THR  16          HG21      THR  16  28.820  -3.375  -3.460
  119   2HG2  THR  16          HG23      THR  16  30.385  -3.037  -4.199
  120   3HG2  THR  16          HG22      THR  16  30.083  -4.606  -3.450
  121    H    CYS  17           HN       CYS  17  27.299  -1.249  -1.303
  122    HA   CYS  17           HA       CYS  17  27.661  -1.521   1.645
  123   1HB   CYS  17           HB2      CYS  17  25.500  -0.088   0.110
  124   2HB   CYS  17           HB1      CYS  17  25.732  -0.067   1.856
  125    H    ARG  18           HN       ARG  18  25.501  -2.036   2.725
  126    HA   ARG  18           HA       ARG  18  23.903  -4.090   1.291
  127   1HB   ARG  18           HB2      ARG  18  25.694  -5.317   2.398
  128   2HB   ARG  18           HB1      ARG  18  25.448  -4.408   3.890
  129   1HG   ARG  18           HG2      ARG  18  23.182  -5.360   4.104
  130   2HG   ARG  18           HG1      ARG  18  23.424  -6.270   2.612
  131   1HD   ARG  18           HD2      ARG  18  25.662  -6.786   4.327
  132   2HD   ARG  18           HD1      ARG  18  24.171  -7.046   5.254
  133    HE   ARG  18           HE       ARG  18  23.428  -8.366   3.120
  134   1HH1  ARG  18          HH21      ARG  18  25.608  -8.552   1.409
  135   2HH1  ARG  18          HH22      ARG  18  26.597  -9.840   2.012
  136   1HH2  ARG  18          HH11      ARG  18  25.147  -9.829   5.162
  137   2HH2  ARG  18          HH12      ARG  18  26.335 -10.563   4.139
  138    H    CYS  19           HN       CYS  19  21.969  -2.896   1.455
  139    HA   CYS  19           HA       CYS  19  21.222  -1.078   3.449
  140   1HB   CYS  19           HB2      CYS  19  20.275  -1.957   1.145
  141   2HB   CYS  19           HB1      CYS  19  19.249  -2.942   2.184
  142    H    GLY  20           HN       GLY  20  21.105  -1.446   5.625
  143   1HA   GLY  20           HA2      GLY  20  20.939  -4.076   6.780
  144   2HA   GLY  20           HA1      GLY  20  20.831  -2.559   7.668
  145    H    ALA  21           HN       ALA  21  19.228  -4.782   8.278
  146    HA   ALA  21           HA       ALA  21  16.636  -4.764   7.079
  147   1HB   ALA  21           HB3      ALA  21  17.712  -6.495   8.571
  148   2HB   ALA  21           HB2      ALA  21  17.404  -5.418   9.934
  149   3HB   ALA  21           HB1      ALA  21  16.055  -6.089   9.017
  150    H    ASP  22           HN       ASP  22  18.118  -2.653   9.451
  151    HA   ASP  22           HA       ASP  22  15.878  -1.622  10.816
  152   1HB   ASP  22           HB2      ASP  22  17.329   0.225  11.294
  153   2HB   ASP  22           HB1      ASP  22  18.386  -1.173  11.089
  154    H    GLY  23           HN       GLY  23  16.734  -1.297   7.477
  155   1HA   GLY  23           HA2      GLY  23  15.523  -0.330   5.716
  156   2HA   GLY  23           HA1      GLY  23  14.262   0.088   6.875
  157    H    LYS  24           HN       LYS  24  17.552   1.096   7.462
  158    HA   LYS  24           HA       LYS  24  17.226   3.738   6.222
  159   1HB   LYS  24           HB2      LYS  24  16.794   3.200   9.158
  160   2HB   LYS  24           HB1      LYS  24  17.409   4.765   8.627
  161   1HG   LYS  24           HG2      LYS  24  15.404   4.682   6.940
  162   2HG   LYS  24           HG1      LYS  24  14.745   3.493   8.062
  163   1HD   LYS  24           HD2      LYS  24  14.960   5.101   9.913
  164   2HD   LYS  24           HD1      LYS  24  15.643   6.292   8.806
  165   1HE   LYS  24           HE2      LYS  24  13.309   6.839   8.996
  166   2HE   LYS  24           HE1      LYS  24  13.476   6.015   7.433
  167   1HZ   LYS  24           HZ1      LYS  24  12.898   4.570   9.956
  168   2HZ   LYS  24           HZ3      LYS  24  11.671   5.134   8.931
  169   3HZ   LYS  24           HZ2      LYS  24  12.783   3.980   8.366
  170    H    SER  25           HN       SER  25  19.202   1.593   6.184
  171    HA   SER  25           HA       SER  25  21.526   3.220   6.407
  172   1HB   SER  25           HB2      SER  25  22.550   1.913   8.343
  173   2HB   SER  25           HB1      SER  25  21.227   2.985   8.787
  174    HG   SER  25           HG       SER  25  21.420   0.321   9.042
  175    H    ALA  26           HN       ALA  26  23.519   1.347   6.653
  176    HA   ALA  26           HA       ALA  26  22.964  -1.200   5.447
  177   1HB   ALA  26           HB3      ALA  26  22.591   0.882   3.717
  178   2HB   ALA  26           HB2      ALA  26  24.283   0.489   3.412
  179   3HB   ALA  26           HB1      ALA  26  23.042  -0.746   3.211
  180    H    ALA  27           HN       ALA  27  24.749  -2.401   6.078
  181    HA   ALA  27           HA       ALA  27  27.209  -1.101   6.921
  182   1HB   ALA  27           HB2      ALA  27  26.019  -3.725   6.903
  183   2HB   ALA  27           HB1      ALA  27  27.668  -3.825   6.283
  184   3HB   ALA  27           HB3      ALA  27  27.367  -3.137   7.878
  185    H    CYS  28           HN       CYS  28  28.988  -0.661   5.630
  186    HA   CYS  28           HA       CYS  28  28.833  -1.652   2.824
  187   1HB   CYS  28           HB2      CYS  28  28.186   0.781   3.474
  188   2HB   CYS  28           HB1      CYS  28  29.916   1.033   3.586
  189    H    THR  29           HN       THR  29  31.013  -0.967   1.701
  190    HA   THR  29           HA       THR  29  33.325  -1.612   3.454
  191    HB   THR  29           HB       THR  29  32.058  -3.515   1.964
  192    HG1  THR  29           HG1      THR  29  34.828  -3.645   1.928
  193   1HG2  THR  29          HG22      THR  29  32.669  -2.127  -0.108
  194   2HG2  THR  29          HG21      THR  29  34.331  -2.636   0.184
  195   3HG2  THR  29          HG23      THR  29  33.085  -3.839  -0.149
  196    H    LEU  30           HN       LEU  30  35.354  -1.058   2.332
  197    HA   LEU  30           HA       LEU  30  34.940   1.332   0.604
  198   1HB   LEU  30           HB2      LEU  30  37.146   0.465   2.492
  199   2HB   LEU  30           HB1      LEU  30  37.160   1.968   1.569
  200    HG   LEU  30           HG       LEU  30  36.294   2.540   3.720
  201   1HD1  LEU  30          HD13      LEU  30  34.974   3.210   1.567
  202   2HD1  LEU  30          HD12      LEU  30  33.749   2.102   2.185
  203   3HD1  LEU  30          HD11      LEU  30  34.239   3.499   3.144
  204   1HD2  LEU  30          HD21      LEU  30  35.571  -0.090   3.919
  205   2HD2  LEU  30          HD23      LEU  30  35.045   1.169   5.039
  206   3HD2  LEU  30          HD22      LEU  30  34.000   0.684   3.702
  207    H    LYS  31           HN       LYS  31  36.730   1.798  -0.891
  208    HA   LYS  31           HA       LYS  31  38.691   0.056  -1.875
  209   1HB   LYS  31           HB2      LYS  31  36.022  -0.904  -2.254
  210   2HB   LYS  31           HB1      LYS  31  36.641  -0.433  -3.836
  211   1HG   LYS  31           HG2      LYS  31  38.759  -1.742  -3.227
  212   2HG   LYS  31           HG1      LYS  31  37.823  -2.423  -1.895
  213   1HD   LYS  31           HD2      LYS  31  36.271  -3.453  -3.364
  214   2HD   LYS  31           HD1      LYS  31  36.805  -2.482  -4.737
  215   1HE   LYS  31           HE2      LYS  31  39.105  -3.618  -4.429
  216   2HE   LYS  31           HE1      LYS  31  38.242  -4.787  -3.409
  217   1HZ   LYS  31           HZ2      LYS  31  36.636  -5.088  -5.214
  218   2HZ   LYS  31           HZ1      LYS  31  37.541  -4.042  -6.200
  219   3HZ   LYS  31           HZ3      LYS  31  38.205  -5.521  -5.700
  220    H    ALA  32           HN       ALA  32  39.072   0.618  -4.362
  221    HA   ALA  32           HA       ALA  32  39.426   3.338  -4.748
  222   1HB   ALA  32           HB3      ALA  32  39.852   1.087  -6.182
  223   2HB   ALA  32           HB2      ALA  32  38.512   1.768  -7.105
  224   3HB   ALA  32           HB1      ALA  32  39.994   2.698  -6.884
  225    H    CYS  33           HN       CYS  33  38.181   5.009  -5.771
  226    HA   CYS  33           HA       CYS  33  35.261   4.438  -6.127
  227   1HB   CYS  33           HB2      CYS  33  36.588   6.687  -4.575
  228   2HB   CYS  33           HB1      CYS  33  34.856   6.588  -4.896
  229    HA   PRO  34           HA       PRO  34  35.999   6.506  -9.954
  230   1HB   PRO  34           HB2      PRO  34  33.381   7.129 -10.528
  231   2HB   PRO  34           HB1      PRO  34  34.075   5.508 -10.740
  232   1HG   PRO  34           HG2      PRO  34  32.466   6.589  -8.463
  233   2HG   PRO  34           HG1      PRO  34  32.324   5.032  -9.299
  234   1HD   PRO  34           HD2      PRO  34  33.561   5.217  -6.935
  235   2HD   PRO  34           HD1      PRO  34  34.165   4.125  -8.205
  236    H    ASN  35           HN       ASN  35  35.503   8.702 -10.952
  237    HA   ASN  35           HA       ASN  35  35.461  11.059 -10.786
  238   1HB   ASN  35           HB2      ASN  35  33.451   9.934  -9.017
  239   2HB   ASN  35           HB1      ASN  35  34.068  11.456  -8.372
  240   1HD2  ASN  35          HD22      ASN  35  32.293  11.548 -12.092
  241   2HD2  ASN  35          HD21      ASN  35  33.120  10.145 -11.611
  242    H    GLN  36           HN       GLN  36  37.764  11.154 -10.328
  243    HA   GLN  36           HA       GLN  36  38.348  11.979  -7.521
  244   1HB   GLN  36           HB2      GLN  36  38.839   9.499  -8.065
  245   2HB   GLN  36           HB1      GLN  36  40.143  10.114  -9.082
  246   1HG   GLN  36           HG2      GLN  36  41.449  10.501  -7.289
  247   2HG   GLN  36           HG1      GLN  36  40.168  11.414  -6.491
  248   1HE2  GLN  36          HE22      GLN  36  39.269   8.758  -4.351
  249   2HE2  GLN  36          HE21      GLN  36  39.020  10.376  -4.804
   
  No H/Q in entry =         249
  Start of MODEL   24
    1   1H    GLU   1           HT2      GLU   1  19.759   8.323   7.996
    2   2H    GLU   1           HT1      GLU   1  20.376   9.642   8.872
    3   3H    GLU   1           HT3      GLU   1  18.935   9.809   7.993
    4    HA   GLU   1           HA       GLU   1  20.299  10.740   6.453
    5   1HB   GLU   1           HB2      GLU   1  22.151  10.677   8.060
    6   2HB   GLU   1           HB1      GLU   1  22.415   8.967   7.718
    7   1HG   GLU   1           HG2      GLU   1  22.483  10.101   5.199
    8   2HG   GLU   1           HG1      GLU   1  23.267  11.328   6.196
    9    H    ILE   2           HN       ILE   2  20.989   7.259   6.970
   10    HA   ILE   2           HA       ILE   2  21.085   6.748   4.072
   11    HB   ILE   2           HB       ILE   2  21.311   5.143   6.606
   12   1HG1  ILE   2          HG12      ILE   2  23.169   5.995   4.387
   13   2HG1  ILE   2          HG11      ILE   2  23.334   6.283   6.118
   14   1HG2  ILE   2          HG21      ILE   2  21.305   4.080   3.778
   15   2HG2  ILE   2          HG23      ILE   2  21.807   3.160   5.195
   16   3HG2  ILE   2          HG22      ILE   2  20.137   3.703   5.045
   17   1HD1  ILE   2          HD11      ILE   2  23.332   3.601   6.163
   18   2HD1  ILE   2          HD13      ILE   2  23.966   3.836   4.534
   19   3HD1  ILE   2          HD12      ILE   2  24.813   4.528   5.918
   20    H    SER   3           HN       SER   3  19.742   4.881   3.266
   21    HA   SER   3           HA       SER   3  17.332   4.063   4.519
   22   1HB   SER   3           HB2      SER   3  16.026   5.575   2.632
   23   2HB   SER   3           HB1      SER   3  16.237   6.062   4.310
   24    HG   SER   3           HG       SER   3  17.160   7.708   3.311
   25    H    CYS   4           HN       CYS   4  16.299   2.460   3.266
   26    HA   CYS   4           HA       CYS   4  16.420   2.153   0.447
   27   1HB   CYS   4           HB2      CYS   4  18.253   0.345   0.457
   28   2HB   CYS   4           HB1      CYS   4  18.795   2.012   0.613
   29    H    GLU   5           HN       GLU   5  16.321  -0.417  -0.057
   30    HA   GLU   5           HA       GLU   5  14.055  -1.432   1.449
   31   1HB   GLU   5           HB2      GLU   5  15.733  -2.147  -0.889
   32   2HB   GLU   5           HB1      GLU   5  14.979  -3.514  -0.068
   33   1HG   GLU   5           HG2      GLU   5  13.519  -2.614  -1.856
   34   2HG   GLU   5           HG1      GLU   5  12.776  -2.439  -0.264
   35    HA   PRO   6           HA       PRO   6  16.848  -3.012   4.600
   36   1HB   PRO   6           HB2      PRO   6  14.832  -3.941   6.223
   37   2HB   PRO   6           HB1      PRO   6  15.383  -2.252   6.204
   38   1HG   PRO   6           HG2      PRO   6  13.041  -3.494   4.827
   39   2HG   PRO   6           HG1      PRO   6  13.149  -1.952   5.699
   40   1HD   PRO   6           HD2      PRO   6  13.210  -2.046   3.018
   41   2HD   PRO   6           HD1      PRO   6  14.185  -0.870   3.930
   42    H    GLY   7           HN       GLY   7  17.813  -4.973   4.449
   43   1HA   GLY   7           HA2      GLY   7  17.661  -7.421   4.663
   44   2HA   GLY   7           HA1      GLY   7  16.113  -7.346   3.817
   45    H    LYS   8           HN       LYS   8  17.579  -5.207   2.051
   46    HA   LYS   8           HA       LYS   8  18.695  -7.242   0.171
   47   1HB   LYS   8           HB2      LYS   8  17.946  -4.391  -0.463
   48   2HB   LYS   8           HB1      LYS   8  17.998  -5.779  -1.548
   49   1HG   LYS   8           HG2      LYS   8  16.027  -5.385   0.725
   50   2HG   LYS   8           HG1      LYS   8  15.667  -5.215  -0.993
   51   1HD   LYS   8           HD2      LYS   8  16.639  -7.662  -1.135
   52   2HD   LYS   8           HD1      LYS   8  16.241  -7.703   0.583
   53   1HE   LYS   8           HE2      LYS   8  14.065  -8.056   0.071
   54   2HE   LYS   8           HE1      LYS   8  14.029  -6.538  -0.850
   55   1HZ   LYS   8           HZ2      LYS   8  15.127  -9.110  -1.858
   56   2HZ   LYS   8           HZ1      LYS   8  13.596  -8.491  -2.260
   57   3HZ   LYS   8           HZ3      LYS   8  14.997  -7.659  -2.731
   58    H    THR   9           HN       THR   9  20.467  -6.315  -1.272
   59    HA   THR   9           HA       THR   9  22.353  -4.661   0.367
   60    HB   THR   9           HB       THR   9  23.111  -6.765  -1.658
   61    HG1  THR   9           HG1      THR   9  22.231  -7.025   0.985
   62   1HG2  THR   9          HG22      THR   9  24.773  -5.066  -0.744
   63   2HG2  THR   9          HG21      THR   9  24.557  -5.837   0.827
   64   3HG2  THR   9          HG23      THR   9  25.213  -6.760  -0.524
   65    H    PHE  10           HN       PHE  10  23.880  -3.383  -0.932
   66    HA   PHE  10           HA       PHE  10  23.374  -3.050  -3.798
   67   1HB   PHE  10           HB2      PHE  10  22.718  -0.612  -3.436
   68   2HB   PHE  10           HB1      PHE  10  21.504  -1.806  -2.998
   69    HD1  PHE  10           HD1      PHE  10  24.220  -1.810  -0.633
   70    HD2  PHE  10           HD2      PHE  10  20.627   0.281  -1.716
   71    HE1  PHE  10           HE1      PHE  10  24.061  -0.892   1.642
   72    HE2  PHE  10           HE2      PHE  10  20.510   1.228   0.566
   73    HZ   PHE  10           HZ       PHE  10  22.248   0.642   2.233
   74    H    LYS  11           HN       LYS  11  24.444  -0.525  -4.102
   75    HA   LYS  11           HA       LYS  11  27.257  -0.963  -3.174
   76   1HB   LYS  11           HB2      LYS  11  26.669  -0.899  -5.616
   77   2HB   LYS  11           HB1      LYS  11  26.110   0.759  -5.401
   78   1HG   LYS  11           HG2      LYS  11  28.526   1.043  -4.305
   79   2HG   LYS  11           HG1      LYS  11  28.894  -0.320  -5.361
   80   1HD   LYS  11           HD2      LYS  11  27.310   1.696  -6.740
   81   2HD   LYS  11           HD1      LYS  11  28.812   2.371  -6.109
   82   1HE   LYS  11           HE2      LYS  11  29.346  -0.225  -7.258
   83   2HE   LYS  11           HE1      LYS  11  28.515   0.802  -8.444
   84   1HZ   LYS  11           HZ2      LYS  11  30.751   1.778  -6.757
   85   2HZ   LYS  11           HZ1      LYS  11  30.995   1.117  -8.304
   86   3HZ   LYS  11           HZ3      LYS  11  30.072   2.528  -8.123
   87    H    ASP  12           HN       ASP  12  25.082   1.782  -3.948
   88    HA   ASP  12           HA       ASP  12  24.894   3.916  -2.951
   89   1HB   ASP  12           HB2      ASP  12  24.411   2.036  -1.097
   90   2HB   ASP  12           HB1      ASP  12  25.876   2.721  -0.391
   91    H    LYS  13           HN       LYS  13  26.264   5.637  -1.797
   92    HA   LYS  13           HA       LYS  13  28.318   6.835  -1.862
   93   1HB   LYS  13           HB2      LYS  13  29.330   4.178  -0.809
   94   2HB   LYS  13           HB1      LYS  13  29.915   5.791  -0.397
   95   1HG   LYS  13           HG2      LYS  13  27.163   5.847   0.164
   96   2HG   LYS  13           HG1      LYS  13  27.726   4.290   0.774
   97   1HD   LYS  13           HD2      LYS  13  29.320   5.295   2.204
   98   2HD   LYS  13           HD1      LYS  13  29.233   6.839   1.355
   99   1HE   LYS  13           HE2      LYS  13  27.085   7.341   2.264
  100   2HE   LYS  13           HE1      LYS  13  26.845   5.669   2.809
  101   1HZ   LYS  13           HZ1      LYS  13  29.102   6.136   4.021
  102   2HZ   LYS  13           HZ3      LYS  13  28.588   7.749   3.921
  103   3HZ   LYS  13           HZ2      LYS  13  27.629   6.601   4.727
  104    H    CYS  14           HN       CYS  14  30.871   4.993  -2.080
  105    HA   CYS  14           HA       CYS  14  30.712   4.622  -5.051
  106   1HB   CYS  14           HB2      CYS  14  33.008   5.495  -5.135
  107   2HB   CYS  14           HB1      CYS  14  31.939   6.662  -4.361
  108    H    ASN  15           HN       ASN  15  30.690   2.768  -2.465
  109    HA   ASN  15           HA       ASN  15  32.721   0.885  -3.583
  110   1HB   ASN  15           HB2      ASN  15  32.225   1.855  -0.781
  111   2HB   ASN  15           HB1      ASN  15  32.929   0.253  -1.041
  112   1HD2  ASN  15          HD22      ASN  15  35.340   3.405  -1.350
  113   2HD2  ASN  15          HD21      ASN  15  33.857   3.402  -0.520
  114    H    THR  16           HN       THR  16  31.290  -0.450  -0.846
  115    HA   THR  16           HA       THR  16  28.919  -1.411  -2.401
  116    HB   THR  16           HB       THR  16  30.060  -3.656  -1.139
  117    HG1  THR  16           HG1      THR  16  31.895  -2.210  -2.750
  118   1HG2  THR  16          HG22      THR  16  28.684  -3.402  -3.268
  119   2HG2  THR  16          HG21      THR  16  30.184  -2.937  -4.070
  120   3HG2  THR  16          HG23      THR  16  30.026  -4.543  -3.355
  121    H    CYS  17           HN       CYS  17  27.192  -1.275  -1.100
  122    HA   CYS  17           HA       CYS  17  27.570  -1.624   1.838
  123   1HB   CYS  17           HB2      CYS  17  25.401  -0.150   0.372
  124   2HB   CYS  17           HB1      CYS  17  25.697  -0.144   2.110
  125    H    ARG  18           HN       ARG  18  25.394  -2.214   2.901
  126    HA   ARG  18           HA       ARG  18  23.826  -4.199   1.342
  127   1HB   ARG  18           HB2      ARG  18  25.583  -5.506   2.360
  128   2HB   ARG  18           HB1      ARG  18  25.412  -4.645   3.890
  129   1HG   ARG  18           HG2      ARG  18  23.495  -5.787   4.483
  130   2HG   ARG  18           HG1      ARG  18  23.005  -6.044   2.807
  131   1HD   ARG  18           HD2      ARG  18  23.829  -8.131   4.057
  132   2HD   ARG  18           HD1      ARG  18  24.641  -7.796   2.514
  133    HE   ARG  18           HE       ARG  18  25.772  -7.087   5.193
  134   1HH1  ARG  18          HH11      ARG  18  27.174  -5.368   3.510
  135   2HH1  ARG  18          HH12      ARG  18  28.397  -6.327   2.745
  136   1HH2  ARG  18          HH21      ARG  18  26.864  -9.348   3.481
  137   2HH2  ARG  18          HH22      ARG  18  28.222  -8.580   2.729
  138    H    CYS  19           HN       CYS  19  21.888  -2.972   1.567
  139    HA   CYS  19           HA       CYS  19  21.149  -1.350   3.736
  140   1HB   CYS  19           HB2      CYS  19  20.098  -1.647   1.451
  141   2HB   CYS  19           HB1      CYS  19  19.292  -3.087   2.087
  142    H    GLY  20           HN       GLY  20  20.586  -1.771   5.818
  143   1HA   GLY  20           HA2      GLY  20  20.486  -4.585   6.695
  144   2HA   GLY  20           HA1      GLY  20  20.524  -3.176   7.749
  145    H    ALA  21           HN       ALA  21  18.796  -5.165   8.396
  146    HA   ALA  21           HA       ALA  21  16.219  -5.324   7.385
  147   1HB   ALA  21           HB1      ALA  21  17.429  -5.303  10.131
  148   2HB   ALA  21           HB3      ALA  21  15.675  -5.392   9.977
  149   3HB   ALA  21           HB2      ALA  21  16.688  -6.641   9.251
  150    H    ASP  22           HN       ASP  22  17.725  -2.565   8.909
  151    HA   ASP  22           HA       ASP  22  15.158  -1.153   9.292
  152   1HB   ASP  22           HB2      ASP  22  18.076  -0.704   9.857
  153   2HB   ASP  22           HB1      ASP  22  16.979   0.678   9.878
  154    H    GLY  23           HN       GLY  23  14.435   0.494   7.908
  155   1HA   GLY  23           HA2      GLY  23  15.692   0.616   5.257
  156   2HA   GLY  23           HA1      GLY  23  14.189   1.411   5.729
  157    H    LYS  24           HN       LYS  24  17.454   1.626   7.168
  158    HA   LYS  24           HA       LYS  24  17.833   4.362   6.193
  159   1HB   LYS  24           HB2      LYS  24  16.809   3.672   8.918
  160   2HB   LYS  24           HB1      LYS  24  17.932   5.025   8.771
  161   1HG   LYS  24           HG2      LYS  24  16.278   5.621   6.730
  162   2HG   LYS  24           HG1      LYS  24  15.142   4.760   7.769
  163   1HD   LYS  24           HD2      LYS  24  15.303   6.322   9.475
  164   2HD   LYS  24           HD1      LYS  24  16.931   6.817   9.008
  165   1HE   LYS  24           HE2      LYS  24  15.928   8.616   8.033
  166   2HE   LYS  24           HE1      LYS  24  15.381   7.482   6.782
  167   1HZ   LYS  24           HZ2      LYS  24  13.505   6.913   8.301
  168   2HZ   LYS  24           HZ1      LYS  24  13.966   8.218   9.285
  169   3HZ   LYS  24           HZ3      LYS  24  13.450   8.499   7.693
  170    H    SER  25           HN       SER  25  19.267   1.640   6.461
  171    HA   SER  25           HA       SER  25  21.832   2.857   7.021
  172   1HB   SER  25           HB2      SER  25  22.117   0.952   8.896
  173   2HB   SER  25           HB1      SER  25  21.480   2.547   9.289
  174    HG   SER  25           HG       SER  25  19.528   1.725   9.498
  175    H    ALA  26           HN       ALA  26  23.581   1.000   6.968
  176    HA   ALA  26           HA       ALA  26  22.896  -1.546   5.808
  177   1HB   ALA  26           HB1      ALA  26  22.373   0.469   4.113
  178   2HB   ALA  26           HB3      ALA  26  24.085   0.260   3.754
  179   3HB   ALA  26           HB2      ALA  26  22.970  -1.084   3.548
  180    H    ALA  27           HN       ALA  27  24.732  -2.825   6.119
  181    HA   ALA  27           HA       ALA  27  27.211  -1.602   7.027
  182   1HB   ALA  27           HB2      ALA  27  26.028  -4.094   7.131
  183   2HB   ALA  27           HB1      ALA  27  27.345  -4.341   5.984
  184   3HB   ALA  27           HB3      ALA  27  27.690  -3.742   7.607
  185    H    CYS  28           HN       CYS  28  28.959  -1.031   5.765
  186    HA   CYS  28           HA       CYS  28  28.843  -1.822   2.892
  187   1HB   CYS  28           HB2      CYS  28  28.019   0.509   3.647
  188   2HB   CYS  28           HB1      CYS  28  29.718   0.883   3.852
  189    H    THR  29           HN       THR  29  30.966  -0.984   1.813
  190    HA   THR  29           HA       THR  29  33.331  -1.459   3.542
  191    HB   THR  29           HB       THR  29  32.232  -3.507   2.168
  192    HG1  THR  29           HG1      THR  29  33.972  -4.235   3.050
  193   1HG2  THR  29          HG22      THR  29  32.698  -1.953   0.057
  194   2HG2  THR  29          HG21      THR  29  34.303  -2.674   0.183
  195   3HG2  THR  29          HG23      THR  29  32.887  -3.704  -0.036
  196    H    LEU  30           HN       LEU  30  35.322  -0.851   2.299
  197    HA   LEU  30           HA       LEU  30  34.706   1.482   0.541
  198   1HB   LEU  30           HB2      LEU  30  36.986   0.847   2.433
  199   2HB   LEU  30           HB1      LEU  30  36.878   2.316   1.464
  200    HG   LEU  30           HG       LEU  30  35.990   2.891   3.604
  201   1HD1  LEU  30          HD13      LEU  30  34.636   3.577   1.592
  202   2HD1  LEU  30          HD12      LEU  30  33.586   2.195   1.903
  203   3HD1  LEU  30          HD11      LEU  30  33.711   3.493   3.091
  204   1HD2  LEU  30          HD21      LEU  30  35.483   0.228   3.911
  205   2HD2  LEU  30          HD23      LEU  30  34.847   1.479   4.979
  206   3HD2  LEU  30          HD22      LEU  30  33.852   0.853   3.665
  207    H    LYS  31           HN       LYS  31  36.493   2.046  -0.954
  208    HA   LYS  31           HA       LYS  31  38.554   0.397  -1.897
  209   1HB   LYS  31           HB2      LYS  31  35.965  -0.730  -2.274
  210   2HB   LYS  31           HB1      LYS  31  36.513  -0.192  -3.860
  211   1HG   LYS  31           HG2      LYS  31  38.788  -1.351  -2.867
  212   2HG   LYS  31           HG1      LYS  31  37.535  -2.374  -2.163
  213   1HD   LYS  31           HD2      LYS  31  37.829  -3.420  -4.216
  214   2HD   LYS  31           HD1      LYS  31  36.538  -2.287  -4.614
  215   1HE   LYS  31           HE2      LYS  31  38.308  -2.168  -6.326
  216   2HE   LYS  31           HE1      LYS  31  38.279  -0.654  -5.399
  217   1HZ   LYS  31           HZ2      LYS  31  39.874  -2.833  -4.304
  218   2HZ   LYS  31           HZ1      LYS  31  40.485  -2.091  -5.705
  219   3HZ   LYS  31           HZ3      LYS  31  40.184  -1.162  -4.317
  220    H    ALA  32           HN       ALA  32  39.029   1.005  -4.313
  221    HA   ALA  32           HA       ALA  32  39.168   3.741  -4.723
  222   1HB   ALA  32           HB2      ALA  32  39.159   1.300  -6.392
  223   2HB   ALA  32           HB1      ALA  32  38.829   2.795  -7.269
  224   3HB   ALA  32           HB3      ALA  32  40.323   2.624  -6.347
  225    H    CYS  33           HN       CYS  33  37.840   5.288  -5.827
  226    HA   CYS  33           HA       CYS  33  34.980   4.465  -6.216
  227   1HB   CYS  33           HB2      CYS  33  36.125   7.006  -5.005
  228   2HB   CYS  33           HB1      CYS  33  34.407   6.687  -5.249
  229    HA   PRO  34           HA       PRO  34  35.497   6.085 -10.269
  230   1HB   PRO  34           HB2      PRO  34  32.860   6.666 -10.796
  231   2HB   PRO  34           HB1      PRO  34  33.531   5.021 -10.831
  232   1HG   PRO  34           HG2      PRO  34  32.038   6.404  -8.640
  233   2HG   PRO  34           HG1      PRO  34  31.848   4.754  -9.262
  234   1HD   PRO  34           HD2      PRO  34  33.195   5.230  -7.000
  235   2HD   PRO  34           HD1      PRO  34  33.728   3.972  -8.141
  236    H    ASN  35           HN       ASN  35  35.733   8.117 -11.234
  237    HA   ASN  35           HA       ASN  35  35.899  10.466 -11.338
  238   1HB   ASN  35           HB2      ASN  35  33.306  10.024  -9.835
  239   2HB   ASN  35           HB1      ASN  35  33.834  11.615 -10.383
  240   1HD2  ASN  35          HD22      ASN  35  32.514   8.871 -13.123
  241   2HD2  ASN  35          HD21      ASN  35  32.852   8.383 -11.532
  242    H    GLN  36           HN       GLN  36  36.791  12.172 -10.103
  243    HA   GLN  36           HA       GLN  36  37.232  11.553  -7.199
  244   1HB   GLN  36           HB2      GLN  36  38.918  12.677  -9.420
  245   2HB   GLN  36           HB1      GLN  36  39.293  13.107  -7.751
  246   1HG   GLN  36           HG2      GLN  36  38.792  10.276  -7.916
  247   2HG   GLN  36           HG1      GLN  36  40.006  10.728  -9.114
  248   1HE2  GLN  36          HE22      GLN  36  40.942  10.826  -5.162
  249   2HE2  GLN  36          HE21      GLN  36  39.388  10.387  -5.685
   
  No H/Q in entry =         249
  Start of MODEL   25
    1   1H    GLU   1           HT3      GLU   1  21.621  11.081   6.324
    2   2H    GLU   1           HT2      GLU   1  21.430  11.429   7.977
    3   3H    GLU   1           HT1      GLU   1  22.504  10.209   7.481
    4    HA   GLU   1           HA       GLU   1  20.503   9.182   8.327
    5   1HB   GLU   1           HB2      GLU   1  18.366   9.809   7.135
    6   2HB   GLU   1           HB1      GLU   1  19.083  11.133   8.054
    7   1HG   GLU   1           HG2      GLU   1  19.967  12.154   6.091
    8   2HG   GLU   1           HG1      GLU   1  19.665  10.714   5.118
    9    H    ILE   2           HN       ILE   2  19.033   7.637   6.867
   10    HA   ILE   2           HA       ILE   2  20.165   7.080   4.196
   11    HB   ILE   2           HB       ILE   2  20.636   5.424   6.663
   12   1HG1  ILE   2          HG12      ILE   2  22.318   6.669   4.497
   13   2HG1  ILE   2          HG11      ILE   2  22.491   6.816   6.245
   14   1HG2  ILE   2          HG22      ILE   2  20.762   4.472   3.797
   15   2HG2  ILE   2          HG21      ILE   2  21.394   3.582   5.179
   16   3HG2  ILE   2          HG23      ILE   2  19.663   3.890   5.050
   17   1HD1  ILE   2          HD11      ILE   2  22.964   4.253   6.185
   18   2HD1  ILE   2          HD13      ILE   2  23.258   4.507   4.464
   19   3HD1  ILE   2          HD12      ILE   2  24.241   5.351   5.661
   20    H    SER   3           HN       SER   3  19.115   5.074   3.310
   21    HA   SER   3           HA       SER   3  16.850   3.852   4.504
   22   1HB   SER   3           HB2      SER   3  15.211   5.129   2.852
   23   2HB   SER   3           HB1      SER   3  15.644   5.859   4.396
   24    HG   SER   3           HG       SER   3  17.050   7.185   3.379
   25    H    CYS   4           HN       CYS   4  16.087   2.155   3.148
   26    HA   CYS   4           HA       CYS   4  16.351   2.030   0.316
   27   1HB   CYS   4           HB2      CYS   4  18.417   0.448   0.387
   28   2HB   CYS   4           HB1      CYS   4  18.691   2.182   0.505
   29    H    GLU   5           HN       GLU   5  16.371  -0.346  -0.450
   30    HA   GLU   5           HA       GLU   5  14.281  -1.833   0.683
   31   1HB   GLU   5           HB2      GLU   5  15.646  -2.046  -1.537
   32   2HB   GLU   5           HB1      GLU   5  16.694  -3.114  -0.602
   33   1HG   GLU   5           HG2      GLU   5  15.230  -4.797  -0.870
   34   2HG   GLU   5           HG1      GLU   5  13.983  -3.844  -0.066
   35    HA   PRO   6           HA       PRO   6  16.539  -2.739   4.490
   36   1HB   PRO   6           HB2      PRO   6  14.331  -3.759   5.779
   37   2HB   PRO   6           HB1      PRO   6  14.696  -2.025   5.681
   38   1HG   PRO   6           HG2      PRO   6  12.842  -3.666   4.009
   39   2HG   PRO   6           HG1      PRO   6  12.593  -2.061   4.721
   40   1HD   PRO   6           HD2      PRO   6  13.221  -2.352   2.132
   41   2HD   PRO   6           HD1      PRO   6  13.857  -0.996   3.095
   42    H    GLY   7           HN       GLY   7  17.737  -4.571   4.651
   43   1HA   GLY   7           HA2      GLY   7  17.955  -6.949   5.036
   44   2HA   GLY   7           HA1      GLY   7  16.412  -7.192   4.217
   45    H    LYS   8           HN       LYS   8  17.785  -5.063   2.229
   46    HA   LYS   8           HA       LYS   8  18.972  -7.234   0.554
   47   1HB   LYS   8           HB2      LYS   8  17.581  -4.625   0.036
   48   2HB   LYS   8           HB1      LYS   8  18.603  -5.338  -1.211
   49   1HG   LYS   8           HG2      LYS   8  16.351  -6.129  -1.581
   50   2HG   LYS   8           HG1      LYS   8  17.294  -7.477  -0.950
   51   1HD   LYS   8           HD2      LYS   8  16.396  -7.129   1.282
   52   2HD   LYS   8           HD1      LYS   8  15.554  -5.672   0.753
   53   1HE   LYS   8           HE2      LYS   8  14.767  -7.726  -1.038
   54   2HE   LYS   8           HE1      LYS   8  14.649  -8.404   0.598
   55   1HZ   LYS   8           HZ2      LYS   8  13.512  -6.359   1.292
   56   2HZ   LYS   8           HZ1      LYS   8  13.537  -5.804  -0.313
   57   3HZ   LYS   8           HZ3      LYS   8  12.643  -7.188   0.089
   58    H    THR   9           HN       THR   9  20.607  -6.195  -1.089
   59    HA   THR   9           HA       THR   9  22.568  -4.552   0.468
   60    HB   THR   9           HB       THR   9  23.297  -6.561  -1.636
   61    HG1  THR   9           HG1      THR   9  22.285  -7.972  -0.447
   62   1HG2  THR   9          HG22      THR   9  24.694  -4.895   0.152
   63   2HG2  THR   9          HG21      THR   9  24.889  -6.532   0.770
   64   3HG2  THR   9          HG23      THR   9  25.373  -6.148  -0.883
   65    H    PHE  10           HN       PHE  10  23.928  -3.155  -0.838
   66    HA   PHE  10           HA       PHE  10  23.365  -2.875  -3.705
   67   1HB   PHE  10           HB2      PHE  10  22.631  -0.468  -3.369
   68   2HB   PHE  10           HB1      PHE  10  21.472  -1.687  -2.861
   69    HD1  PHE  10           HD2      PHE  10  24.225  -1.591  -0.564
   70    HD2  PHE  10           HD1      PHE  10  20.607   0.458  -1.636
   71    HE1  PHE  10           HE2      PHE  10  24.111  -0.604   1.684
   72    HE2  PHE  10           HE1      PHE  10  20.537   1.479   0.614
   73    HZ   PHE  10           HZ       PHE  10  22.311   0.957   2.259
   74    H    LYS  11           HN       LYS  11  24.360  -0.323  -4.066
   75    HA   LYS  11           HA       LYS  11  27.203  -0.710  -3.239
   76   1HB   LYS  11           HB2      LYS  11  26.224  -0.473  -5.669
   77   2HB   LYS  11           HB1      LYS  11  26.189   1.249  -5.288
   78   1HG   LYS  11           HG2      LYS  11  28.607   1.120  -4.672
   79   2HG   LYS  11           HG1      LYS  11  28.617  -0.565  -5.193
   80   1HD   LYS  11           HD2      LYS  11  27.418   1.000  -7.266
   81   2HD   LYS  11           HD1      LYS  11  28.937   1.768  -6.803
   82   1HE   LYS  11           HE2      LYS  11  29.736   0.214  -8.343
   83   2HE   LYS  11           HE1      LYS  11  29.795  -0.778  -6.871
   84   1HZ   LYS  11           HZ2      LYS  11  27.219  -0.615  -8.208
   85   2HZ   LYS  11           HZ1      LYS  11  28.419  -1.487  -9.036
   86   3HZ   LYS  11           HZ3      LYS  11  27.973  -1.945  -7.464
   87    H    ASP  12           HN       ASP  12  25.100   2.128  -3.913
   88    HA   ASP  12           HA       ASP  12  25.030   4.238  -2.848
   89   1HB   ASP  12           HB2      ASP  12  24.310   2.318  -1.121
   90   2HB   ASP  12           HB1      ASP  12  25.773   2.858  -0.299
   91    H    LYS  13           HN       LYS  13  26.459   5.702  -1.297
   92    HA   LYS  13           HA       LYS  13  28.585   6.766  -1.168
   93   1HB   LYS  13           HB2      LYS  13  29.202   3.872  -0.468
   94   2HB   LYS  13           HB1      LYS  13  30.196   5.261  -0.023
   95   1HG   LYS  13           HG2      LYS  13  27.287   5.247   0.716
   96   2HG   LYS  13           HG1      LYS  13  28.429   4.320   1.688
   97   1HD   LYS  13           HD2      LYS  13  29.482   6.194   2.491
   98   2HD   LYS  13           HD1      LYS  13  29.221   7.104   1.002
   99   1HE   LYS  13           HE2      LYS  13  27.275   7.998   1.775
  100   2HE   LYS  13           HE1      LYS  13  26.720   6.436   2.410
  101   1HZ   LYS  13           HZ2      LYS  13  29.025   7.638   3.722
  102   2HZ   LYS  13           HZ1      LYS  13  27.532   8.402   3.990
  103   3HZ   LYS  13           HZ3      LYS  13  27.730   6.767   4.391
  104    H    CYS  14           HN       CYS  14  31.083   5.020  -1.646
  105    HA   CYS  14           HA       CYS  14  30.945   5.057  -4.639
  106   1HB   CYS  14           HB2      CYS  14  33.202   5.888  -4.588
  107   2HB   CYS  14           HB1      CYS  14  32.283   6.845  -3.427
  108    H    ASN  15           HN       ASN  15  31.005   2.928  -2.127
  109    HA   ASN  15           HA       ASN  15  32.742   1.023  -3.650
  110   1HB   ASN  15           HB2      ASN  15  32.561   1.751  -0.749
  111   2HB   ASN  15           HB1      ASN  15  33.025   0.100  -1.175
  112   1HD2  ASN  15          HD22      ASN  15  35.813   2.920  -1.422
  113   2HD2  ASN  15          HD21      ASN  15  34.404   3.031  -0.480
  114    H    THR  16           HN       THR  16  31.344  -0.420  -0.906
  115    HA   THR  16           HA       THR  16  28.876  -1.161  -2.437
  116    HB   THR  16           HB       THR  16  29.852  -3.522  -1.287
  117    HG1  THR  16           HG1      THR  16  31.853  -2.251  -2.834
  118   1HG2  THR  16          HG21      THR  16  29.105  -2.435  -3.854
  119   2HG2  THR  16          HG23      THR  16  30.486  -3.515  -4.034
  120   3HG2  THR  16          HG22      THR  16  29.001  -4.100  -3.284
  121    H    CYS  17           HN       CYS  17  27.180  -0.977  -1.080
  122    HA   CYS  17           HA       CYS  17  27.644  -1.325   1.842
  123   1HB   CYS  17           HB2      CYS  17  25.461   0.149   0.391
  124   2HB   CYS  17           HB1      CYS  17  25.735   0.136   2.133
  125    H    ARG  18           HN       ARG  18  25.495  -1.881   2.982
  126    HA   ARG  18           HA       ARG  18  23.904  -3.909   1.504
  127   1HB   ARG  18           HB2      ARG  18  25.601  -5.245   2.509
  128   2HB   ARG  18           HB1      ARG  18  25.607  -4.265   3.976
  129   1HG   ARG  18           HG2      ARG  18  23.481  -5.119   4.668
  130   2HG   ARG  18           HG1      ARG  18  23.197  -5.867   3.096
  131   1HD   ARG  18           HD2      ARG  18  24.545  -7.673   3.564
  132   2HD   ARG  18           HD1      ARG  18  25.672  -6.706   4.536
  133    HE   ARG  18           HE       ARG  18  23.310  -8.059   5.550
  134   1HH1  ARG  18          HH11      ARG  18  26.055  -6.576   6.546
  135   2HH1  ARG  18          HH12      ARG  18  25.369  -5.733   7.894
  136   1HH2  ARG  18          HH21      ARG  18  22.091  -6.412   6.989
  137   2HH2  ARG  18          HH22      ARG  18  23.124  -5.640   8.145
  138    H    CYS  19           HN       CYS  19  21.938  -2.752   1.720
  139    HA   CYS  19           HA       CYS  19  21.216  -1.065   3.867
  140   1HB   CYS  19           HB2      CYS  19  20.159  -1.434   1.578
  141   2HB   CYS  19           HB1      CYS  19  19.333  -2.834   2.286
  142    H    GLY  20           HN       GLY  20  20.993  -1.552   5.981
  143   1HA   GLY  20           HA2      GLY  20  21.030  -4.199   7.027
  144   2HA   GLY  20           HA1      GLY  20  20.598  -2.761   7.947
  145    H    ALA  21           HN       ALA  21  19.267  -5.035   8.550
  146    HA   ALA  21           HA       ALA  21  16.961  -5.813   7.191
  147   1HB   ALA  21           HB2      ALA  21  17.558  -5.343  10.122
  148   2HB   ALA  21           HB1      ALA  21  16.070  -6.121   9.578
  149   3HB   ALA  21           HB3      ALA  21  17.631  -6.866   9.236
  150    H    ASP  22           HN       ASP  22  17.636  -2.755   8.719
  151    HA   ASP  22           HA       ASP  22  14.785  -1.915   8.556
  152   1HB   ASP  22           HB2      ASP  22  17.283  -0.551   9.619
  153   2HB   ASP  22           HB1      ASP  22  15.630   0.027   9.830
  154    H    GLY  23           HN       GLY  23  14.169  -0.144   7.201
  155   1HA   GLY  23           HA2      GLY  23  15.893   0.229   4.845
  156   2HA   GLY  23           HA1      GLY  23  14.249   0.839   5.032
  157    H    LYS  24           HN       LYS  24  17.302   1.308   6.866
  158    HA   LYS  24           HA       LYS  24  17.295   4.176   6.212
  159   1HB   LYS  24           HB2      LYS  24  16.337   3.000   8.785
  160   2HB   LYS  24           HB1      LYS  24  17.268   4.495   8.865
  161   1HG   LYS  24           HG2      LYS  24  15.440   4.844   6.744
  162   2HG   LYS  24           HG1      LYS  24  14.518   4.117   8.061
  163   1HD   LYS  24           HD2      LYS  24  14.683   5.970   9.361
  164   2HD   LYS  24           HD1      LYS  24  16.373   6.232   8.928
  165   1HE   LYS  24           HE2      LYS  24  14.850   8.059   8.096
  166   2HE   LYS  24           HE1      LYS  24  15.698   7.223   6.779
  167   1HZ   LYS  24           HZ3      LYS  24  13.194   6.044   7.691
  168   2HZ   LYS  24           HZ2      LYS  24  13.066   7.495   6.816
  169   3HZ   LYS  24           HZ1      LYS  24  13.833   6.146   6.124
  170    H    SER  25           HN       SER  25  19.085   1.575   6.381
  171    HA   SER  25           HA       SER  25  21.471   3.101   6.951
  172   1HB   SER  25           HB2      SER  25  21.994   1.277   8.844
  173   2HB   SER  25           HB1      SER  25  21.137   2.768   9.221
  174    HG   SER  25           HG       SER  25  19.377   1.656   9.546
  175    H    ALA  26           HN       ALA  26  23.421   1.369   7.029
  176    HA   ALA  26           HA       ALA  26  23.003  -1.201   5.810
  177   1HB   ALA  26           HB2      ALA  26  22.501   0.890   4.115
  178   2HB   ALA  26           HB1      ALA  26  24.202   0.571   3.778
  179   3HB   ALA  26           HB3      ALA  26  23.009  -0.708   3.583
  180    H    ALA  27           HN       ALA  27  24.897  -2.343   6.183
  181    HA   ALA  27           HA       ALA  27  27.293  -0.884   7.070
  182   1HB   ALA  27           HB2      ALA  27  26.201  -3.486   7.301
  183   2HB   ALA  27           HB1      ALA  27  27.727  -3.665   6.436
  184   3HB   ALA  27           HB3      ALA  27  27.697  -2.892   8.020
  185    H    CYS  28           HN       CYS  28  29.100  -0.495   5.753
  186    HA   CYS  28           HA       CYS  28  28.849  -1.478   2.953
  187   1HB   CYS  28           HB2      CYS  28  28.365   0.992   3.680
  188   2HB   CYS  28           HB1      CYS  28  30.113   1.129   3.666
  189    H    THR  29           HN       THR  29  31.027  -0.856   1.780
  190    HA   THR  29           HA       THR  29  33.366  -1.593   3.454
  191    HB   THR  29           HB       THR  29  31.968  -3.511   2.147
  192    HG1  THR  29           HG1      THR  29  33.621  -4.601   2.800
  193   1HG2  THR  29          HG22      THR  29  32.665  -2.078  -0.005
  194   2HG2  THR  29          HG21      THR  29  34.124  -3.059   0.138
  195   3HG2  THR  29          HG23      THR  29  32.553  -3.838  -0.055
  196    H    LEU  30           HN       LEU  30  35.370  -1.266   2.180
  197    HA   LEU  30           HA       LEU  30  35.059   1.140   0.462
  198   1HB   LEU  30           HB2      LEU  30  37.291   0.001   2.162
  199   2HB   LEU  30           HB1      LEU  30  37.455   1.462   1.187
  200    HG   LEU  30           HG       LEU  30  36.872   2.155   3.420
  201   1HD1  LEU  30          HD12      LEU  30  35.661   3.172   1.393
  202   2HD1  LEU  30          HD11      LEU  30  34.263   2.230   1.912
  203   3HD1  LEU  30          HD13      LEU  30  34.943   3.459   2.977
  204   1HD2  LEU  30          HD21      LEU  30  35.709  -0.252   3.746
  205   2HD2  LEU  30          HD23      LEU  30  35.342   1.127   4.784
  206   3HD2  LEU  30          HD22      LEU  30  34.269   0.721   3.445
  207    H    LYS  31           HN       LYS  31  36.776   1.404  -1.188
  208    HA   LYS  31           HA       LYS  31  38.437  -0.463  -2.381
  209   1HB   LYS  31           HB2      LYS  31  35.610  -1.180  -2.517
  210   2HB   LYS  31           HB1      LYS  31  36.297  -1.011  -4.132
  211   1HG   LYS  31           HG2      LYS  31  38.115  -2.552  -3.545
  212   2HG   LYS  31           HG1      LYS  31  37.481  -2.697  -1.905
  213   1HD   LYS  31           HD2      LYS  31  36.552  -4.579  -2.924
  214   2HD   LYS  31           HD1      LYS  31  35.260  -3.395  -3.131
  215   1HE   LYS  31           HE2      LYS  31  35.379  -3.849  -5.355
  216   2HE   LYS  31           HE1      LYS  31  36.934  -2.994  -5.348
  217   1HZ   LYS  31           HZ2      LYS  31  36.739  -5.798  -4.448
  218   2HZ   LYS  31           HZ1      LYS  31  36.916  -5.433  -6.098
  219   3HZ   LYS  31           HZ3      LYS  31  38.107  -4.949  -4.991
  220    H    ALA  32           HN       ALA  32  38.198  -0.083  -5.043
  221    HA   ALA  32           HA       ALA  32  38.855   2.553  -5.614
  222   1HB   ALA  32           HB2      ALA  32  38.660   0.319  -7.038
  223   2HB   ALA  32           HB1      ALA  32  37.126   1.034  -7.536
  224   3HB   ALA  32           HB3      ALA  32  38.637   1.892  -7.836
  225    H    CYS  33           HN       CYS  33  37.653   4.401  -6.330
  226    HA   CYS  33           HA       CYS  33  34.684   4.290  -6.023
  227   1HB   CYS  33           HB2      CYS  33  36.664   6.063  -4.571
  228   2HB   CYS  33           HB1      CYS  33  34.943   6.439  -4.657
  229    HA   PRO  34           HA       PRO  34  35.537   6.507  -9.857
  230   1HB   PRO  34           HB2      PRO  34  32.901   6.562 -10.644
  231   2HB   PRO  34           HB1      PRO  34  33.971   5.165 -10.890
  232   1HG   PRO  34           HG2      PRO  34  31.970   5.651  -8.722
  233   2HG   PRO  34           HG1      PRO  34  32.274   4.178  -9.662
  234   1HD   PRO  34           HD2      PRO  34  33.228   4.455  -7.176
  235   2HD   PRO  34           HD1      PRO  34  34.171   3.628  -8.439
  236    H    ASN  35           HN       ASN  35  34.499   8.597 -10.771
  237    HA   ASN  35           HA       ASN  35  34.307  10.555  -8.609
  238   1HB   ASN  35           HB2      ASN  35  34.033  10.705 -11.628
  239   2HB   ASN  35           HB1      ASN  35  34.134  12.110 -10.568
  240   1HD2  ASN  35          HD22      ASN  35  37.498   9.883 -11.290
  241   2HD2  ASN  35          HD21      ASN  35  35.972   9.272 -11.717
  242    H    GLN  36           HN       GLN  36  32.413  11.186  -7.657
  243    HA   GLN  36           HA       GLN  36  30.078  11.289  -7.243
  244   1HB   GLN  36           HB2      GLN  36  30.910  12.674  -9.565
  245   2HB   GLN  36           HB1      GLN  36  29.375  11.910  -9.979
  246   1HG   GLN  36           HG2      GLN  36  28.193  13.237  -8.561
  247   2HG   GLN  36           HG1      GLN  36  29.427  13.147  -7.303
  248   1HE2  GLN  36          HE22      GLN  36  30.339  16.465  -8.052
  249   2HE2  GLN  36          HE21      GLN  36  29.890  15.332  -6.870
   
  No H/Q in entry =         249
  Start of MODEL   26
    1   1H    GLU   1           HT1      GLU   1  19.756   8.997   6.797
    2   2H    GLU   1           HT3      GLU   1  20.312  10.544   7.214
    3   3H    GLU   1           HT2      GLU   1  19.871  10.205   5.609
    4    HA   GLU   1           HA       GLU   1  22.240  10.195   5.686
    5   1HB   GLU   1           HB2      GLU   1  23.154   8.383   7.398
    6   2HB   GLU   1           HB1      GLU   1  22.754  10.007   7.948
    7   1HG   GLU   1           HG2      GLU   1  20.550   9.245   8.695
    8   2HG   GLU   1           HG1      GLU   1  20.876   7.628   8.072
    9    H    ILE   2           HN       ILE   2  20.290   7.278   6.364
   10    HA   ILE   2           HA       ILE   2  21.339   6.095   3.825
   11    HB   ILE   2           HB       ILE   2  21.257   4.948   6.610
   12   1HG1  ILE   2          HG12      ILE   2  23.387   5.369   4.504
   13   2HG1  ILE   2          HG11      ILE   2  23.336   6.032   6.136
   14   1HG2  ILE   2          HG22      ILE   2  21.504   3.480   3.985
   15   2HG2  ILE   2          HG21      ILE   2  21.918   2.779   5.544
   16   3HG2  ILE   2          HG23      ILE   2  20.256   3.264   5.214
   17   1HD1  ILE   2          HD11      ILE   2  23.559   3.075   5.506
   18   2HD1  ILE   2          HD13      ILE   2  24.930   4.112   5.902
   19   3HD1  ILE   2          HD12      ILE   2  23.667   3.824   7.099
   20    H    SER   3           HN       SER   3  19.970   4.104   3.272
   21    HA   SER   3           HA       SER   3  17.381   3.688   4.395
   22   1HB   SER   3           HB2      SER   3  17.513   6.108   3.262
   23   2HB   SER   3           HB1      SER   3  17.151   5.169   1.817
   24    HG   SER   3           HG       SER   3  15.669   5.365   4.226
   25    H    CYS   4           HN       CYS   4  16.269   3.527   1.604
   26    HA   CYS   4           HA       CYS   4  16.244   2.100  -0.269
   27   1HB   CYS   4           HB2      CYS   4  18.341   1.735  -0.952
   28   2HB   CYS   4           HB1      CYS   4  18.952   1.999   0.650
   29    H    GLU   5           HN       GLU   5  16.315  -0.404  -0.623
   30    HA   GLU   5           HA       GLU   5  14.284  -1.566   1.026
   31   1HB   GLU   5           HB2      GLU   5  16.262  -2.685  -0.980
   32   2HB   GLU   5           HB1      GLU   5  14.926  -3.624  -0.313
   33   1HG   GLU   5           HG2      GLU   5  13.326  -2.425  -1.455
   34   2HG   GLU   5           HG1      GLU   5  14.280  -0.941  -1.446
   35    HA   PRO   6           HA       PRO   6  17.191  -2.585   4.307
   36   1HB   PRO   6           HB2      PRO   6  15.226  -3.457   6.017
   37   2HB   PRO   6           HB1      PRO   6  15.685  -1.753   5.830
   38   1HG   PRO   6           HG2      PRO   6  13.412  -3.253   4.612
   39   2HG   PRO   6           HG1      PRO   6  13.444  -1.621   5.310
   40   1HD   PRO   6           HD2      PRO   6  13.501  -2.015   2.654
   41   2HD   PRO   6           HD1      PRO   6  14.401  -0.687   3.423
   42    H    GLY   7           HN       GLY   7  18.221  -4.526   4.570
   43   1HA   GLY   7           HA2      GLY   7  18.163  -6.923   5.032
   44   2HA   GLY   7           HA1      GLY   7  16.663  -7.022   4.112
   45    H    LYS   8           HN       LYS   8  18.057  -5.157   2.031
   46    HA   LYS   8           HA       LYS   8  19.412  -7.434   0.640
   47   1HB   LYS   8           HB2      LYS   8  18.264  -4.843  -0.426
   48   2HB   LYS   8           HB1      LYS   8  18.823  -6.210  -1.389
   49   1HG   LYS   8           HG2      LYS   8  16.756  -6.721   0.714
   50   2HG   LYS   8           HG1      LYS   8  16.247  -5.932  -0.780
   51   1HD   LYS   8           HD2      LYS   8  17.748  -7.905  -1.833
   52   2HD   LYS   8           HD1      LYS   8  17.238  -8.704  -0.346
   53   1HE   LYS   8           HE2      LYS   8  15.357  -9.229  -1.542
   54   2HE   LYS   8           HE1      LYS   8  14.881  -7.552  -1.207
   55   1HZ   LYS   8           HZ3      LYS   8  16.098  -6.867  -3.200
   56   2HZ   LYS   8           HZ2      LYS   8  16.468  -8.490  -3.540
   57   3HZ   LYS   8           HZ1      LYS   8  14.856  -7.957  -3.582
   58    H    THR   9           HN       THR   9  21.087  -6.634  -1.008
   59    HA   THR   9           HA       THR   9  23.022  -4.833   0.388
   60    HB   THR   9           HB       THR   9  23.537  -6.704  -1.934
   61    HG1  THR   9           HG1      THR   9  23.636  -8.355  -0.577
   62   1HG2  THR   9          HG22      THR   9  25.297  -5.081  -1.263
   63   2HG2  THR   9          HG21      THR   9  25.270  -5.760   0.365
   64   3HG2  THR   9          HG23      THR   9  25.794  -6.752  -0.996
   65    H    PHE  10           HN       PHE  10  24.319  -3.384  -1.140
   66    HA   PHE  10           HA       PHE  10  23.371  -2.862  -3.805
   67   1HB   PHE  10           HB2      PHE  10  22.098  -0.812  -3.317
   68   2HB   PHE  10           HB1      PHE  10  21.367  -2.204  -2.536
   69    HD1  PHE  10           HD1      PHE  10  23.397  -2.364  -0.134
   70    HD2  PHE  10           HD2      PHE  10  21.221   0.885  -1.911
   71    HE1  PHE  10           HE1      PHE  10  23.471  -1.176   1.984
   72    HE2  PHE  10           HE2      PHE  10  21.291   2.080   0.249
   73    HZ   PHE  10           HZ       PHE  10  22.432   1.061   2.200
   74    H    LYS  11           HN       LYS  11  23.874  -0.138  -3.954
   75    HA   LYS  11           HA       LYS  11  26.799  -0.107  -3.368
   76   1HB   LYS  11           HB2      LYS  11  26.293   0.359  -5.635
   77   2HB   LYS  11           HB1      LYS  11  24.895   1.348  -5.214
   78   1HG   LYS  11           HG2      LYS  11  26.154   3.214  -5.024
   79   2HG   LYS  11           HG1      LYS  11  27.360   2.384  -4.041
   80   1HD   LYS  11           HD2      LYS  11  27.234   1.787  -6.975
   81   2HD   LYS  11           HD1      LYS  11  27.993   3.288  -6.445
   82   1HE   LYS  11           HE2      LYS  11  29.550   2.059  -5.021
   83   2HE   LYS  11           HE1      LYS  11  28.738   0.529  -5.411
   84   1HZ   LYS  11           HZ1      LYS  11  29.154   1.089  -7.802
   85   2HZ   LYS  11           HZ3      LYS  11  30.166   2.343  -7.275
   86   3HZ   LYS  11           HZ2      LYS  11  30.551   0.730  -6.904
   87    H    ASP  12           HN       ASP  12  24.545   2.630  -3.627
   88    HA   ASP  12           HA       ASP  12  23.880   4.256  -2.033
   89   1HB   ASP  12           HB2      ASP  12  24.170   2.070  -0.540
   90   2HB   ASP  12           HB1      ASP  12  25.560   2.967   0.068
   91    H    LYS  13           HN       LYS  13  27.287   3.229  -1.959
   92    HA   LYS  13           HA       LYS  13  28.037   6.090  -1.895
   93   1HB   LYS  13           HB2      LYS  13  29.492   3.811  -0.539
   94   2HB   LYS  13           HB1      LYS  13  29.809   5.535  -0.344
   95   1HG   LYS  13           HG2      LYS  13  27.162   5.435   0.298
   96   2HG   LYS  13           HG1      LYS  13  27.701   3.858   0.876
   97   1HD   LYS  13           HD2      LYS  13  28.498   4.891   2.713
   98   2HD   LYS  13           HD1      LYS  13  29.708   5.651   1.679
   99   1HE   LYS  13           HE2      LYS  13  28.403   7.617   1.398
  100   2HE   LYS  13           HE1      LYS  13  26.929   6.815   1.978
  101   1HZ   LYS  13           HZ3      LYS  13  28.275   6.389   4.087
  102   2HZ   LYS  13           HZ2      LYS  13  29.326   7.597   3.521
  103   3HZ   LYS  13           HZ1      LYS  13  27.699   7.964   3.838
  104    H    CYS  14           HN       CYS  14  30.850   5.534  -2.103
  105    HA   CYS  14           HA       CYS  14  30.993   4.941  -4.976
  106   1HB   CYS  14           HB2      CYS  14  33.249   5.756  -4.736
  107   2HB   CYS  14           HB1      CYS  14  32.230   6.766  -3.712
  108    H    ASN  15           HN       ASN  15  30.908   2.995  -2.268
  109    HA   ASN  15           HA       ASN  15  32.624   0.942  -3.595
  110   1HB   ASN  15           HB2      ASN  15  32.289   1.824  -0.735
  111   2HB   ASN  15           HB1      ASN  15  32.875   0.194  -1.096
  112   1HD2  ASN  15          HD22      ASN  15  35.523   3.131  -1.257
  113   2HD2  ASN  15          HD21      ASN  15  34.105   3.126  -0.320
  114    H    THR  16           HN       THR  16  31.201  -0.417  -0.908
  115    HA   THR  16           HA       THR  16  28.630  -0.945  -2.327
  116    HB   THR  16           HB       THR  16  29.685  -3.427  -1.374
  117    HG1  THR  16           HG1      THR  16  31.706  -2.377  -1.724
  118   1HG2  THR  16          HG22      THR  16  28.186  -2.353  -3.479
  119   2HG2  THR  16          HG21      THR  16  29.609  -3.047  -4.254
  120   3HG2  THR  16          HG23      THR  16  28.579  -4.055  -3.236
  121    H    CYS  17           HN       CYS  17  26.970  -1.044  -0.944
  122    HA   CYS  17           HA       CYS  17  27.551  -1.300   1.942
  123   1HB   CYS  17           HB2      CYS  17  25.289  -0.082   0.413
  124   2HB   CYS  17           HB1      CYS  17  25.357  -0.190   2.176
  125    H    ARG  18           HN       ARG  18  25.404  -1.940   3.116
  126    HA   ARG  18           HA       ARG  18  24.166  -4.355   1.891
  127   1HB   ARG  18           HB2      ARG  18  26.165  -5.006   3.233
  128   2HB   ARG  18           HB1      ARG  18  25.488  -4.158   4.624
  129   1HG   ARG  18           HG2      ARG  18  23.498  -5.648   4.532
  130   2HG   ARG  18           HG1      ARG  18  24.246  -6.529   3.199
  131   1HD   ARG  18           HD2      ARG  18  25.785  -7.565   4.569
  132   2HD   ARG  18           HD1      ARG  18  25.889  -6.177   5.668
  133    HE   ARG  18           HE       ARG  18  23.653  -8.158   5.648
  134   1HH1  ARG  18          HH11      ARG  18  22.693  -5.554   6.609
  135   2HH1  ARG  18          HH12      ARG  18  23.050  -5.600   8.303
  136   1HH2  ARG  18          HH21      ARG  18  25.299  -8.227   8.027
  137   2HH2  ARG  18          HH22      ARG  18  24.526  -7.114   9.106
  138    H    CYS  19           HN       CYS  19  22.334  -2.872   1.754
  139    HA   CYS  19           HA       CYS  19  21.175  -1.283   3.733
  140   1HB   CYS  19           HB2      CYS  19  20.759  -2.010   1.204
  141   2HB   CYS  19           HB1      CYS  19  19.555  -3.066   1.942
  142    H    GLY  20           HN       GLY  20  20.535  -1.842   5.796
  143   1HA   GLY  20           HA2      GLY  20  20.197  -4.709   6.437
  144   2HA   GLY  20           HA1      GLY  20  20.358  -3.406   7.605
  145    H    ALA  21           HN       ALA  21  18.486  -5.242   8.120
  146    HA   ALA  21           HA       ALA  21  15.906  -5.164   7.129
  147   1HB   ALA  21           HB2      ALA  21  17.252  -5.622   9.695
  148   2HB   ALA  21           HB1      ALA  21  15.575  -5.111   9.883
  149   3HB   ALA  21           HB3      ALA  21  15.957  -6.545   8.930
  150    H    ASP  22           HN       ASP  22  17.593  -2.592   8.799
  151    HA   ASP  22           HA       ASP  22  15.159  -1.038   9.334
  152   1HB   ASP  22           HB2      ASP  22  18.146  -0.660   9.559
  153   2HB   ASP  22           HB1      ASP  22  17.055   0.707   9.793
  154    H    GLY  23           HN       GLY  23  14.338   0.571   7.967
  155   1HA   GLY  23           HA2      GLY  23  15.381   0.654   5.230
  156   2HA   GLY  23           HA1      GLY  23  13.953   1.504   5.819
  157    H    LYS  24           HN       LYS  24  17.262   1.663   7.133
  158    HA   LYS  24           HA       LYS  24  17.841   4.252   5.964
  159   1HB   LYS  24           HB2      LYS  24  16.547   3.955   8.637
  160   2HB   LYS  24           HB1      LYS  24  17.806   5.180   8.475
  161   1HG   LYS  24           HG2      LYS  24  16.261   6.542   7.564
  162   2HG   LYS  24           HG1      LYS  24  16.210   5.455   6.176
  163   1HD   LYS  24           HD2      LYS  24  14.021   5.198   6.741
  164   2HD   LYS  24           HD1      LYS  24  14.648   4.102   7.974
  165   1HE   LYS  24           HE2      LYS  24  13.961   5.493   9.623
  166   2HE   LYS  24           HE1      LYS  24  14.822   6.857   8.883
  167   1HZ   LYS  24           HZ2      LYS  24  13.016   7.067   7.276
  168   2HZ   LYS  24           HZ1      LYS  24  12.175   5.801   8.035
  169   3HZ   LYS  24           HZ3      LYS  24  12.440   7.257   8.864
  170    H    SER  25           HN       SER  25  19.096   1.545   6.523
  171    HA   SER  25           HA       SER  25  21.634   2.697   7.381
  172   1HB   SER  25           HB2      SER  25  21.662   0.614   9.091
  173   2HB   SER  25           HB1      SER  25  21.054   2.197   9.559
  174    HG   SER  25           HG       SER  25  19.465   0.137   8.424
  175    H    ALA  26           HN       ALA  26  23.395   0.988   7.188
  176    HA   ALA  26           HA       ALA  26  22.872  -1.534   5.902
  177   1HB   ALA  26           HB3      ALA  26  22.249   0.502   4.278
  178   2HB   ALA  26           HB2      ALA  26  23.979   0.428   3.945
  179   3HB   ALA  26           HB1      ALA  26  22.968  -0.984   3.669
  180    H    ALA  27           HN       ALA  27  24.749  -2.691   6.383
  181    HA   ALA  27           HA       ALA  27  27.183  -1.309   7.196
  182   1HB   ALA  27           HB3      ALA  27  26.112  -3.855   7.433
  183   2HB   ALA  27           HB2      ALA  27  27.457  -4.087   6.314
  184   3HB   ALA  27           HB1      ALA  27  27.746  -3.386   7.906
  185    H    CYS  28           HN       CYS  28  28.882  -0.724   5.860
  186    HA   CYS  28           HA       CYS  28  28.627  -1.579   3.027
  187   1HB   CYS  28           HB2      CYS  28  28.137   0.845   3.929
  188   2HB   CYS  28           HB1      CYS  28  29.879   1.000   3.833
  189    H    THR  29           HN       THR  29  30.822  -0.741   1.884
  190    HA   THR  29           HA       THR  29  33.172  -1.601   3.464
  191    HB   THR  29           HB       THR  29  31.740  -3.449   2.064
  192    HG1  THR  29           HG1      THR  29  33.482  -4.671   2.370
  193   1HG2  THR  29          HG22      THR  29  32.457  -1.953  -0.017
  194   2HG2  THR  29          HG21      THR  29  33.940  -2.895   0.118
  195   3HG2  THR  29          HG23      THR  29  32.398  -3.711  -0.136
  196    H    LEU  30           HN       LEU  30  35.149  -1.176   2.225
  197    HA   LEU  30           HA       LEU  30  34.812   1.276   0.579
  198   1HB   LEU  30           HB2      LEU  30  37.054   0.113   2.251
  199   2HB   LEU  30           HB1      LEU  30  37.198   1.609   1.327
  200    HG   LEU  30           HG       LEU  30  36.587   2.229   3.569
  201   1HD1  LEU  30          HD11      LEU  30  35.354   3.272   1.572
  202   2HD1  LEU  30          HD13      LEU  30  33.983   2.267   2.045
  203   3HD1  LEU  30          HD12      LEU  30  34.612   3.482   3.158
  204   1HD2  LEU  30          HD23      LEU  30  35.528  -0.204   3.872
  205   2HD2  LEU  30          HD22      LEU  30  35.038   1.149   4.892
  206   3HD2  LEU  30          HD21      LEU  30  34.040   0.675   3.517
  207    H    LYS  31           HN       LYS  31  36.514   1.615  -1.062
  208    HA   LYS  31           HA       LYS  31  38.157  -0.288  -2.301
  209   1HB   LYS  31           HB2      LYS  31  35.387  -0.948  -2.447
  210   2HB   LYS  31           HB1      LYS  31  35.856  -0.400  -4.054
  211   1HG   LYS  31           HG2      LYS  31  37.989  -1.989  -3.353
  212   2HG   LYS  31           HG1      LYS  31  36.633  -2.842  -2.613
  213   1HD   LYS  31           HD2      LYS  31  36.062  -1.869  -5.326
  214   2HD   LYS  31           HD1      LYS  31  37.370  -3.051  -5.263
  215   1HE   LYS  31           HE2      LYS  31  35.407  -4.380  -5.474
  216   2HE   LYS  31           HE1      LYS  31  35.749  -4.418  -3.733
  217   1HZ   LYS  31           HZ2      LYS  31  34.112  -2.259  -4.902
  218   2HZ   LYS  31           HZ1      LYS  31  33.400  -3.745  -4.489
  219   3HZ   LYS  31           HZ3      LYS  31  34.159  -2.808  -3.296
  220    H    ALA  32           HN       ALA  32  38.303   0.349  -4.820
  221    HA   ALA  32           HA       ALA  32  38.967   3.031  -5.120
  222   1HB   ALA  32           HB2      ALA  32  37.694   1.168  -7.153
  223   2HB   ALA  32           HB1      ALA  32  38.640   2.604  -7.543
  224   3HB   ALA  32           HB3      ALA  32  39.410   1.230  -6.750
  225    H    CYS  33           HN       CYS  33  37.818   4.893  -5.904
  226    HA   CYS  33           HA       CYS  33  34.833   4.670  -5.953
  227   1HB   CYS  33           HB2      CYS  33  36.567   6.619  -4.402
  228   2HB   CYS  33           HB1      CYS  33  34.816   6.753  -4.546
  229    HA   PRO  34           HA       PRO  34  35.469   6.961  -9.686
  230   1HB   PRO  34           HB2      PRO  34  32.863   7.782 -10.012
  231   2HB   PRO  34           HB1      PRO  34  33.432   6.146 -10.404
  232   1HG   PRO  34           HG2      PRO  34  32.054   7.125  -7.939
  233   2HG   PRO  34           HG1      PRO  34  31.760   5.652  -8.882
  234   1HD   PRO  34           HD2      PRO  34  33.164   5.578  -6.603
  235   2HD   PRO  34           HD1      PRO  34  33.604   4.553  -7.991
  236    H    ASN  35           HN       ASN  35  35.547   9.199 -10.328
  237    HA   ASN  35           HA       ASN  35  34.554  11.271  -8.481
  238   1HB   ASN  35           HB2      ASN  35  37.456  10.498  -8.817
  239   2HB   ASN  35           HB1      ASN  35  36.994  12.112  -8.275
  240   1HD2  ASN  35          HD22      ASN  35  35.289  10.571  -5.318
  241   2HD2  ASN  35          HD21      ASN  35  34.775  11.513  -6.633
  242    H    GLN  36           HN       GLN  36  37.177  11.016 -10.913
  243    HA   GLN  36           HA       GLN  36  35.619  12.538 -12.887
  244   1HB   GLN  36           HB2      GLN  36  36.546  14.131 -11.089
  245   2HB   GLN  36           HB1      GLN  36  38.139  13.766 -11.751
  246   1HG   GLN  36           HG2      GLN  36  37.788  15.313 -13.344
  247   2HG   GLN  36           HG1      GLN  36  36.466  14.323 -13.966
  248   1HE2  GLN  36          HE22      GLN  36  35.570  17.462 -11.460
  249   2HE2  GLN  36          HE21      GLN  36  37.124  16.781 -11.409
   
  No H/Q in entry =         249
  Start of MODEL   27
    1   1H    GLU   1           HT2      GLU   1  22.344   9.946   7.630
    2   2H    GLU   1           HT1      GLU   1  21.210  11.042   7.000
    3   3H    GLU   1           HT3      GLU   1  21.402  10.895   8.678
    4    HA   GLU   1           HA       GLU   1  20.377   8.799   8.750
    5   1HB   GLU   1           HB2      GLU   1  19.124  10.754   6.808
    6   2HB   GLU   1           HB1      GLU   1  18.256   9.342   7.411
    7   1HG   GLU   1           HG2      GLU   1  19.597  10.935   9.502
    8   2HG   GLU   1           HG1      GLU   1  18.293  11.777   8.664
    9    H    ILE   2           HN       ILE   2  18.906   7.356   7.061
   10    HA   ILE   2           HA       ILE   2  20.259   6.882   4.488
   11    HB   ILE   2           HB       ILE   2  20.521   5.104   6.902
   12   1HG1  ILE   2          HG12      ILE   2  22.432   6.387   4.943
   13   2HG1  ILE   2          HG11      ILE   2  22.357   6.617   6.690
   14   1HG2  ILE   2          HG21      ILE   2  20.909   4.350   4.004
   15   2HG2  ILE   2          HG23      ILE   2  21.464   3.379   5.365
   16   3HG2  ILE   2          HG22      ILE   2  19.740   3.659   5.130
   17   1HD1  ILE   2          HD13      ILE   2  23.076   4.009   5.322
   18   2HD1  ILE   2          HD12      ILE   2  24.241   5.134   6.020
   19   3HD1  ILE   2          HD11      ILE   2  23.079   4.309   7.060
   20    H    SER   3           HN       SER   3  19.273   4.928   3.428
   21    HA   SER   3           HA       SER   3  16.935   3.659   4.420
   22   1HB   SER   3           HB2      SER   3  15.372   5.000   2.787
   23   2HB   SER   3           HB1      SER   3  15.785   5.708   4.347
   24    HG   SER   3           HG       SER   3  16.241   7.272   2.898
   25    H    CYS   4           HN       CYS   4  16.171   2.085   2.938
   26    HA   CYS   4           HA       CYS   4  16.482   2.000   0.151
   27   1HB   CYS   4           HB2      CYS   4  18.615   0.494   0.158
   28   2HB   CYS   4           HB1      CYS   4  18.811   2.236   0.269
   29    H    GLU   5           HN       GLU   5  16.323  -0.241  -0.711
   30    HA   GLU   5           HA       GLU   5  14.428  -1.866   0.528
   31   1HB   GLU   5           HB2      GLU   5  16.712  -2.379  -1.373
   32   2HB   GLU   5           HB1      GLU   5  15.666  -3.706  -0.870
   33   1HG   GLU   5           HG2      GLU   5  14.168  -1.310  -1.643
   34   2HG   GLU   5           HG1      GLU   5  15.148  -1.962  -2.958
   35    HA   PRO   6           HA       PRO   6  17.098  -2.906   4.034
   36   1HB   PRO   6           HB2      PRO   6  15.044  -3.901   5.562
   37   2HB   PRO   6           HB1      PRO   6  15.462  -2.183   5.463
   38   1HG   PRO   6           HG2      PRO   6  13.321  -3.691   4.049
   39   2HG   PRO   6           HG1      PRO   6  13.277  -2.082   4.796
   40   1HD   PRO   6           HD2      PRO   6  13.519  -2.419   2.128
   41   2HD   PRO   6           HD1      PRO   6  14.284  -1.065   2.990
   42    H    GLY   7           HN       GLY   7  18.191  -4.800   4.240
   43   1HA   GLY   7           HA2      GLY   7  18.264  -7.211   4.571
   44   2HA   GLY   7           HA1      GLY   7  16.773  -7.348   3.641
   45    H    LYS   8           HN       LYS   8  18.127  -5.270   1.732
   46    HA   LYS   8           HA       LYS   8  19.547  -7.368   0.145
   47   1HB   LYS   8           HB2      LYS   8  18.547  -4.696  -0.834
   48   2HB   LYS   8           HB1      LYS   8  18.800  -6.178  -1.757
   49   1HG   LYS   8           HG2      LYS   8  16.993  -7.102   0.002
   50   2HG   LYS   8           HG1      LYS   8  16.516  -5.405  -0.005
   51   1HD   LYS   8           HD2      LYS   8  15.537  -5.638  -2.015
   52   2HD   LYS   8           HD1      LYS   8  17.024  -6.289  -2.705
   53   1HE   LYS   8           HE2      LYS   8  15.126  -7.913  -2.859
   54   2HE   LYS   8           HE1      LYS   8  16.444  -8.536  -1.847
   55   1HZ   LYS   8           HZ3      LYS   8  14.384  -6.874  -0.590
   56   2HZ   LYS   8           HZ2      LYS   8  13.992  -8.487  -0.956
   57   3HZ   LYS   8           HZ1      LYS   8  15.299  -8.139   0.072
   58    H    THR   9           HN       THR   9  21.263  -6.404  -1.346
   59    HA   THR   9           HA       THR   9  23.046  -4.612   0.251
   60    HB   THR   9           HB       THR   9  23.727  -6.410  -2.093
   61    HG1  THR   9           HG1      THR   9  23.053  -7.867  -0.687
   62   1HG2  THR   9          HG21      THR   9  25.391  -4.695  -1.452
   63   2HG2  THR   9          HG23      THR   9  25.379  -5.314   0.200
   64   3HG2  THR   9          HG22      THR   9  25.979  -6.323  -1.117
   65    H    PHE  10           HN       PHE  10  24.424  -3.116  -1.173
   66    HA   PHE  10           HA       PHE  10  23.453  -2.488  -3.826
   67   1HB   PHE  10           HB2      PHE  10  22.455  -0.299  -3.209
   68   2HB   PHE  10           HB1      PHE  10  21.569  -1.656  -2.542
   69    HD1  PHE  10           HD2      PHE  10  23.383  -2.239  -0.076
   70    HD2  PHE  10           HD1      PHE  10  21.864   1.418  -1.752
   71    HE1  PHE  10           HE2      PHE  10  23.519  -1.176   2.122
   72    HE2  PHE  10           HE1      PHE  10  21.971   2.464   0.483
   73    HZ   PHE  10           HZ       PHE  10  22.811   1.177   2.421
   74    H    LYS  11           HN       LYS  11  24.252   0.153  -3.993
   75    HA   LYS  11           HA       LYS  11  27.171  -0.131  -3.358
   76   1HB   LYS  11           HB2      LYS  11  26.101   0.073  -5.746
   77   2HB   LYS  11           HB1      LYS  11  25.952   1.784  -5.345
   78   1HG   LYS  11           HG2      LYS  11  28.078   1.928  -6.143
   79   2HG   LYS  11           HG1      LYS  11  28.526   1.277  -4.566
   80   1HD   LYS  11           HD2      LYS  11  29.545  -0.343  -5.811
   81   2HD   LYS  11           HD1      LYS  11  27.918  -1.021  -5.886
   82   1HE   LYS  11           HE2      LYS  11  27.794  -0.646  -8.119
   83   2HE   LYS  11           HE1      LYS  11  28.306   1.041  -7.918
   84   1HZ   LYS  11           HZ2      LYS  11  30.275  -1.092  -7.492
   85   2HZ   LYS  11           HZ1      LYS  11  29.871  -0.681  -9.090
   86   3HZ   LYS  11           HZ3      LYS  11  30.510   0.496  -8.049
   87    H    ASP  12           HN       ASP  12  24.599   2.366  -3.608
   88    HA   ASP  12           HA       ASP  12  24.336   4.405  -2.445
   89   1HB   ASP  12           HB2      ASP  12  24.190   2.756  -0.612
   90   2HB   ASP  12           HB1      ASP  12  25.945   2.784  -0.446
   91    H    LYS  13           HN       LYS  13  27.306   4.027  -0.674
   92    HA   LYS  13           HA       LYS  13  28.448   6.442  -1.603
   93   1HB   LYS  13           HB2      LYS  13  29.736   3.961  -0.418
   94   2HB   LYS  13           HB1      LYS  13  30.465   5.567  -0.452
   95   1HG   LYS  13           HG2      LYS  13  28.772   6.462   0.994
   96   2HG   LYS  13           HG1      LYS  13  27.790   5.004   0.846
   97   1HD   LYS  13           HD2      LYS  13  29.854   3.771   1.825
   98   2HD   LYS  13           HD1      LYS  13  30.388   5.375   2.328
   99   1HE   LYS  13           HE2      LYS  13  27.797   3.993   3.104
  100   2HE   LYS  13           HE1      LYS  13  29.133   4.453   4.177
  101   1HZ   LYS  13           HZ3      LYS  13  28.803   6.776   3.400
  102   2HZ   LYS  13           HZ2      LYS  13  27.392   6.270   2.599
  103   3HZ   LYS  13           HZ1      LYS  13  27.495   6.166   4.291
  104    H    CYS  14           HN       CYS  14  31.174   5.372  -2.176
  105    HA   CYS  14           HA       CYS  14  30.717   4.741  -5.053
  106   1HB   CYS  14           HB2      CYS  14  33.043   5.490  -5.295
  107   2HB   CYS  14           HB1      CYS  14  32.116   6.686  -4.391
  108    H    ASN  15           HN       ASN  15  31.022   2.965  -2.328
  109    HA   ASN  15           HA       ASN  15  32.716   0.909  -3.680
  110   1HB   ASN  15           HB2      ASN  15  32.496   1.917  -0.867
  111   2HB   ASN  15           HB1      ASN  15  32.951   0.227  -1.114
  112   1HD2  ASN  15          HD22      ASN  15  35.710   3.067  -1.732
  113   2HD2  ASN  15          HD21      ASN  15  34.244   3.350  -0.923
  114    H    THR  16           HN       THR  16  31.323  -0.388  -0.902
  115    HA   THR  16           HA       THR  16  28.783  -1.025  -2.324
  116    HB   THR  16           HB       THR  16  29.848  -3.444  -1.262
  117    HG1  THR  16           HG1      THR  16  31.487  -2.465  -3.301
  118   1HG2  THR  16          HG22      THR  16  28.934  -2.289  -3.855
  119   2HG2  THR  16          HG21      THR  16  29.827  -3.809  -3.909
  120   3HG2  THR  16          HG23      THR  16  28.331  -3.696  -2.980
  121    H    CYS  17           HN       CYS  17  27.132  -1.000  -0.954
  122    HA   CYS  17           HA       CYS  17  27.646  -1.278   1.959
  123   1HB   CYS  17           HB2      CYS  17  25.447   0.057   0.415
  124   2HB   CYS  17           HB1      CYS  17  25.560  -0.009   2.176
  125    H    ARG  18           HN       ARG  18  25.503  -1.922   3.101
  126    HA   ARG  18           HA       ARG  18  24.080  -4.129   1.699
  127   1HB   ARG  18           HB2      ARG  18  26.150  -4.888   3.028
  128   2HB   ARG  18           HB1      ARG  18  25.280  -4.374   4.473
  129   1HG   ARG  18           HG2      ARG  18  23.473  -5.926   4.009
  130   2HG   ARG  18           HG1      ARG  18  24.190  -6.354   2.455
  131   1HD   ARG  18           HD2      ARG  18  25.937  -7.570   3.447
  132   2HD   ARG  18           HD1      ARG  18  25.774  -6.720   4.996
  133    HE   ARG  18           HE       ARG  18  23.813  -8.733   3.968
  134   1HH1  ARG  18          HH21      ARG  18  22.012  -8.128   5.644
  135   2HH1  ARG  18          HH22      ARG  18  22.552  -8.330   7.277
  136   1HH2  ARG  18          HH11      ARG  18  25.913  -8.436   6.434
  137   2HH2  ARG  18          HH12      ARG  18  24.760  -8.503   7.724
  138    H    CYS  19           HN       CYS  19  22.192  -2.763   1.756
  139    HA   CYS  19           HA       CYS  19  21.334  -1.207   3.952
  140   1HB   CYS  19           HB2      CYS  19  20.558  -1.274   1.542
  141   2HB   CYS  19           HB1      CYS  19  19.584  -2.689   1.974
  142    H    GLY  20           HN       GLY  20  20.591  -1.751   5.921
  143   1HA   GLY  20           HA2      GLY  20  20.202  -4.592   6.573
  144   2HA   GLY  20           HA1      GLY  20  20.228  -3.261   7.724
  145    H    ALA  21           HN       ALA  21  18.341  -4.884   8.344
  146    HA   ALA  21           HA       ALA  21  15.838  -4.751   6.940
  147   1HB   ALA  21           HB1      ALA  21  16.933  -5.627   9.549
  148   2HB   ALA  21           HB3      ALA  21  15.202  -5.291   9.525
  149   3HB   ALA  21           HB2      ALA  21  15.882  -6.490   8.426
  150    H    ASP  22           HN       ASP  22  17.449  -2.553   9.085
  151    HA   ASP  22           HA       ASP  22  15.232  -1.155  10.209
  152   1HB   ASP  22           HB2      ASP  22  18.118  -0.638   9.620
  153   2HB   ASP  22           HB1      ASP  22  17.116   0.725  10.121
  154    H    GLY  23           HN       GLY  23  16.104  -1.371   6.933
  155   1HA   GLY  23           HA2      GLY  23  15.525  -0.106   5.043
  156   2HA   GLY  23           HA1      GLY  23  14.097   0.337   5.978
  157    H    LYS  24           HN       LYS  24  17.179   1.148   7.319
  158    HA   LYS  24           HA       LYS  24  17.257   3.852   6.154
  159   1HB   LYS  24           HB2      LYS  24  16.314   3.213   8.951
  160   2HB   LYS  24           HB1      LYS  24  16.998   4.790   8.553
  161   1HG   LYS  24           HG2      LYS  24  15.284   4.720   6.562
  162   2HG   LYS  24           HG1      LYS  24  14.458   3.527   7.565
  163   1HD   LYS  24           HD2      LYS  24  13.536   5.236   8.707
  164   2HD   LYS  24           HD1      LYS  24  15.147   5.615   9.318
  165   1HE   LYS  24           HE2      LYS  24  15.561   7.101   7.412
  166   2HE   LYS  24           HE1      LYS  24  13.985   6.675   6.716
  167   1HZ   LYS  24           HZ1      LYS  24  13.024   7.364   8.929
  168   2HZ   LYS  24           HZ3      LYS  24  14.528   8.065   9.276
  169   3HZ   LYS  24           HZ2      LYS  24  13.615   8.627   7.958
  170    H    SER  25           HN       SER  25  19.068   1.534   6.427
  171    HA   SER  25           HA       SER  25  21.403   3.020   7.159
  172   1HB   SER  25           HB2      SER  25  21.803   1.211   9.116
  173   2HB   SER  25           HB1      SER  25  20.988   2.743   9.418
  174    HG   SER  25           HG       SER  25  19.349   1.560   9.974
  175    H    ALA  26           HN       ALA  26  23.362   1.361   7.240
  176    HA   ALA  26           HA       ALA  26  22.974  -1.278   6.145
  177   1HB   ALA  26           HB2      ALA  26  22.318   0.576   4.347
  178   2HB   ALA  26           HB1      ALA  26  24.062   0.594   4.084
  179   3HB   ALA  26           HB3      ALA  26  23.153  -0.897   3.875
  180    H    ALA  27           HN       ALA  27  24.932  -2.405   6.263
  181    HA   ALA  27           HA       ALA  27  27.292  -0.897   7.226
  182   1HB   ALA  27           HB1      ALA  27  26.549  -3.151   8.101
  183   2HB   ALA  27           HB3      ALA  27  26.987  -3.832   6.534
  184   3HB   ALA  27           HB2      ALA  27  28.227  -3.107   7.557
  185    H    CYS  28           HN       CYS  28  29.095  -0.486   5.895
  186    HA   CYS  28           HA       CYS  28  28.815  -1.453   3.091
  187   1HB   CYS  28           HB2      CYS  28  28.306   1.006   3.863
  188   2HB   CYS  28           HB1      CYS  28  30.049   1.171   3.783
  189    H    THR  29           HN       THR  29  30.983  -0.725   1.901
  190    HA   THR  29           HA       THR  29  33.360  -1.415   3.537
  191    HB   THR  29           HB       THR  29  32.017  -3.384   2.259
  192    HG1  THR  29           HG1      THR  29  34.821  -3.301   2.052
  193   1HG2  THR  29          HG23      THR  29  32.394  -2.076   0.072
  194   2HG2  THR  29          HG22      THR  29  34.076  -2.589   0.204
  195   3HG2  THR  29          HG21      THR  29  32.795  -3.793   0.061
  196    H    LEU  30           HN       LEU  30  35.342  -0.988   2.223
  197    HA   LEU  30           HA       LEU  30  34.836   1.245   0.301
  198   1HB   LEU  30           HB2      LEU  30  37.217   0.809   2.115
  199   2HB   LEU  30           HB1      LEU  30  36.771   2.291   1.269
  200    HG   LEU  30           HG       LEU  30  34.910   1.004   3.272
  201   1HD1  LEU  30          HD11      LEU  30  37.379   2.574   3.736
  202   2HD1  LEU  30          HD13      LEU  30  35.956   3.081   4.646
  203   3HD1  LEU  30          HD12      LEU  30  36.553   1.428   4.793
  204   1HD2  LEU  30          HD21      LEU  30  34.210   2.812   1.568
  205   2HD2  LEU  30          HD23      LEU  30  33.825   3.111   3.263
  206   3HD2  LEU  30          HD22      LEU  30  35.209   3.913   2.518
  207    H    LYS  31           HN       LYS  31  36.700   1.623  -1.181
  208    HA   LYS  31           HA       LYS  31  38.782  -0.045  -1.925
  209   1HB   LYS  31           HB2      LYS  31  36.112  -1.226  -2.344
  210   2HB   LYS  31           HB1      LYS  31  37.114  -1.237  -3.797
  211   1HG   LYS  31           HG2      LYS  31  38.690  -2.647  -2.870
  212   2HG   LYS  31           HG1      LYS  31  38.383  -2.081  -1.227
  213   1HD   LYS  31           HD2      LYS  31  36.913  -3.746  -0.865
  214   2HD   LYS  31           HD1      LYS  31  36.006  -3.317  -2.315
  215   1HE   LYS  31           HE2      LYS  31  36.759  -5.250  -3.236
  216   2HE   LYS  31           HE1      LYS  31  38.379  -4.523  -3.255
  217   1HZ   LYS  31           HZ2      LYS  31  37.186  -5.817  -0.864
  218   2HZ   LYS  31           HZ1      LYS  31  38.216  -6.627  -1.946
  219   3HZ   LYS  31           HZ3      LYS  31  38.793  -5.299  -1.062
  220    H    ALA  32           HN       ALA  32  38.713  -0.110  -4.655
  221    HA   ALA  32           HA       ALA  32  39.069   2.491  -5.563
  222   1HB   ALA  32           HB2      ALA  32  39.400   0.180  -6.695
  223   2HB   ALA  32           HB1      ALA  32  37.735   0.369  -7.247
  224   3HB   ALA  32           HB3      ALA  32  38.962   1.538  -7.732
  225    H    CYS  33           HN       CYS  33  37.676   4.036  -6.613
  226    HA   CYS  33           HA       CYS  33  34.739   3.553  -6.272
  227   1HB   CYS  33           HB2      CYS  33  36.498   5.849  -5.399
  228   2HB   CYS  33           HB1      CYS  33  34.757   6.052  -5.588
  229    HA   PRO  34           HA       PRO  34  34.602   4.783 -10.497
  230   1HB   PRO  34           HB2      PRO  34  31.944   5.488 -10.580
  231   2HB   PRO  34           HB1      PRO  34  32.516   3.806 -10.598
  232   1HG   PRO  34           HG2      PRO  34  31.529   5.438  -8.295
  233   2HG   PRO  34           HG1      PRO  34  31.145   3.763  -8.732
  234   1HD   PRO  34           HD2      PRO  34  32.914   4.314  -6.803
  235   2HD   PRO  34           HD1      PRO  34  33.162   2.947  -7.915
  236    H    ASN  35           HN       ASN  35  35.301   6.703 -11.324
  237    HA   ASN  35           HA       ASN  35  34.092   9.244 -10.339
  238   1HB   ASN  35           HB2      ASN  35  36.083   8.775  -8.969
  239   2HB   ASN  35           HB1      ASN  35  37.051   8.563 -10.429
  240   1HD2  ASN  35          HD22      ASN  35  35.715  12.381  -9.633
  241   2HD2  ASN  35          HD21      ASN  35  34.716  11.065  -9.247
  242    H    GLN  36           HN       GLN  36  33.771   7.842 -12.857
  243    HA   GLN  36           HA       GLN  36  35.510   9.114 -14.848
  244   1HB   GLN  36           HB2      GLN  36  34.228   6.804 -14.794
  245   2HB   GLN  36           HB1      GLN  36  32.890   7.763 -15.427
  246   1HG   GLN  36           HG2      GLN  36  34.096   8.375 -17.369
  247   2HG   GLN  36           HG1      GLN  36  35.640   7.897 -16.662
  248   1HE2  GLN  36          HE22      GLN  36  35.089   4.382 -17.252
  249   2HE2  GLN  36          HE21      GLN  36  35.848   5.458 -16.180
   
  No H/Q in entry =         249
  Start of MODEL   28
    1   1H    GLU   1           HT1      GLU   1  17.618   9.993   6.611
    2   2H    GLU   1           HT3      GLU   1  18.215   9.246   8.012
    3   3H    GLU   1           HT2      GLU   1  18.012  10.932   7.971
    4    HA   GLU   1           HA       GLU   1  19.813  11.241   6.507
    5   1HB   GLU   1           HB2      GLU   1  19.996  10.236   9.023
    6   2HB   GLU   1           HB1      GLU   1  20.909   9.012   8.139
    7   1HG   GLU   1           HG2      GLU   1  22.470  10.604   7.326
    8   2HG   GLU   1           HG1      GLU   1  21.427  11.961   7.749
    9    H    ILE   2           HN       ILE   2  19.572   7.703   7.083
   10    HA   ILE   2           HA       ILE   2  20.535   7.286   4.271
   11    HB   ILE   2           HB       ILE   2  20.801   5.777   6.858
   12   1HG1  ILE   2          HG12      ILE   2  22.618   7.097   4.871
   13   2HG1  ILE   2          HG11      ILE   2  22.642   7.192   6.630
   14   1HG2  ILE   2          HG23      ILE   2  21.322   4.687   4.087
   15   2HG2  ILE   2          HG22      ILE   2  21.815   3.906   5.586
   16   3HG2  ILE   2          HG21      ILE   2  20.103   4.112   5.225
   17   1HD1  ILE   2          HD11      ILE   2  23.246   4.637   6.488
   18   2HD1  ILE   2          HD13      ILE   2  23.723   5.032   4.837
   19   3HD1  ILE   2          HD12      ILE   2  24.503   5.839   6.197
   20    H    SER   3           HN       SER   3  19.722   5.180   3.367
   21    HA   SER   3           HA       SER   3  17.390   3.879   4.330
   22   1HB   SER   3           HB2      SER   3  15.992   5.018   2.314
   23   2HB   SER   3           HB1      SER   3  16.013   5.697   3.939
   24    HG   SER   3           HG       SER   3  16.526   7.222   2.267
   25    H    CYS   4           HN       CYS   4  16.642   2.243   2.787
   26    HA   CYS   4           HA       CYS   4  17.456   1.961   0.101
   27   1HB   CYS   4           HB2      CYS   4  19.432   0.325   0.630
   28   2HB   CYS   4           HB1      CYS   4  19.731   2.056   0.668
   29    H    GLU   5           HN       GLU   5  17.439  -0.398  -0.600
   30    HA   GLU   5           HA       GLU   5  15.168  -1.792   0.212
   31   1HB   GLU   5           HB2      GLU   5  17.159  -2.114  -1.609
   32   2HB   GLU   5           HB1      GLU   5  17.554  -3.417  -0.488
   33   1HG   GLU   5           HG2      GLU   5  15.617  -4.579  -0.935
   34   2HG   GLU   5           HG1      GLU   5  14.694  -3.115  -1.271
   35    HA   PRO   6           HA       PRO   6  16.702  -2.633   4.391
   36   1HB   PRO   6           HB2      PRO   6  14.241  -3.424   5.336
   37   2HB   PRO   6           HB1      PRO   6  14.764  -1.729   5.244
   38   1HG   PRO   6           HG2      PRO   6  13.051  -3.289   3.361
   39   2HG   PRO   6           HG1      PRO   6  12.852  -1.631   3.959
   40   1HD   PRO   6           HD2      PRO   6  13.843  -2.135   1.513
   41   2HD   PRO   6           HD1      PRO   6  14.422  -0.770   2.496
   42    H    GLY   7           HN       GLY   7  17.853  -4.519   4.476
   43   1HA   GLY   7           HA2      GLY   7  17.766  -6.895   5.108
   44   2HA   GLY   7           HA1      GLY   7  16.346  -7.064   4.078
   45    H    LYS   8           HN       LYS   8  17.758  -5.336   1.986
   46    HA   LYS   8           HA       LYS   8  19.359  -7.585   0.843
   47   1HB   LYS   8           HB2      LYS   8  17.828  -5.250  -0.309
   48   2HB   LYS   8           HB1      LYS   8  18.882  -6.263  -1.295
   49   1HG   LYS   8           HG2      LYS   8  17.591  -8.252  -0.680
   50   2HG   LYS   8           HG1      LYS   8  16.559  -7.280   0.370
   51   1HD   LYS   8           HD2      LYS   8  15.224  -7.086  -1.456
   52   2HD   LYS   8           HD1      LYS   8  16.408  -5.898  -1.999
   53   1HE   LYS   8           HE2      LYS   8  17.430  -7.391  -3.478
   54   2HE   LYS   8           HE1      LYS   8  16.886  -8.816  -2.569
   55   1HZ   LYS   8           HZ3      LYS   8  14.567  -8.104  -3.126
   56   2HZ   LYS   8           HZ2      LYS   8  15.231  -6.974  -4.207
   57   3HZ   LYS   8           HZ1      LYS   8  15.478  -8.636  -4.453
   58    H    THR   9           HN       THR   9  20.971  -6.580  -0.898
   59    HA   THR   9           HA       THR   9  22.738  -4.701   0.601
   60    HB   THR   9           HB       THR   9  23.407  -6.429  -1.787
   61    HG1  THR   9           HG1      THR   9  22.948  -7.105   0.871
   62   1HG2  THR   9          HG23      THR   9  25.048  -5.366   0.527
   63   2HG2  THR   9          HG22      THR   9  25.664  -6.354  -0.799
   64   3HG2  THR   9          HG21      THR   9  25.054  -4.730  -1.117
   65    H    PHE  10           HN       PHE  10  23.951  -3.094  -0.808
   66    HA   PHE  10           HA       PHE  10  22.823  -2.525  -3.436
   67   1HB   PHE  10           HB2      PHE  10  21.846  -0.358  -2.780
   68   2HB   PHE  10           HB1      PHE  10  21.058  -1.698  -1.963
   69    HD1  PHE  10           HD1      PHE  10  22.833  -2.280   0.350
   70    HD2  PHE  10           HD2      PHE  10  21.746   1.486  -1.413
   71    HE1  PHE  10           HE1      PHE  10  23.255  -1.150   2.487
   72    HE2  PHE  10           HE2      PHE  10  22.155   2.600   0.754
   73    HZ   PHE  10           HZ       PHE  10  22.925   1.293   2.705
   74    H    LYS  11           HN       LYS  11  23.590   0.057  -3.785
   75    HA   LYS  11           HA       LYS  11  26.538  -0.210  -3.610
   76   1HB   LYS  11           HB2      LYS  11  25.506   0.327  -5.742
   77   2HB   LYS  11           HB1      LYS  11  24.642   1.691  -5.029
   78   1HG   LYS  11           HG2      LYS  11  26.649   2.930  -4.706
   79   2HG   LYS  11           HG1      LYS  11  27.658   1.512  -4.996
   80   1HD   LYS  11           HD2      LYS  11  27.048   1.463  -7.329
   81   2HD   LYS  11           HD1      LYS  11  25.828   2.714  -7.088
   82   1HE   LYS  11           HE2      LYS  11  27.490   4.393  -6.671
   83   2HE   LYS  11           HE1      LYS  11  28.774   3.176  -6.530
   84   1HZ   LYS  11           HZ2      LYS  11  27.124   3.621  -8.961
   85   2HZ   LYS  11           HZ1      LYS  11  28.703   4.209  -8.751
   86   3HZ   LYS  11           HZ3      LYS  11  28.424   2.538  -8.808
   87    H    ASP  12           HN       ASP  12  24.867   2.891  -3.602
   88    HA   ASP  12           HA       ASP  12  25.023   4.721  -2.113
   89   1HB   ASP  12           HB2      ASP  12  24.162   2.608  -0.705
   90   2HB   ASP  12           HB1      ASP  12  25.723   2.819   0.088
   91    H    LYS  13           HN       LYS  13  26.737   6.069  -1.327
   92    HA   LYS  13           HA       LYS  13  28.992   6.722  -0.990
   93   1HB   LYS  13           HB2      LYS  13  29.483   3.775  -0.498
   94   2HB   LYS  13           HB1      LYS  13  30.316   5.149   0.228
   95   1HG   LYS  13           HG2      LYS  13  27.622   5.561   0.855
   96   2HG   LYS  13           HG1      LYS  13  27.867   3.828   1.077
   97   1HD   LYS  13           HD2      LYS  13  28.952   4.217   3.008
   98   2HD   LYS  13           HD1      LYS  13  30.141   5.196   2.148
   99   1HE   LYS  13           HE2      LYS  13  28.183   7.013   2.230
  100   2HE   LYS  13           HE1      LYS  13  27.713   6.072   3.660
  101   1HZ   LYS  13           HZ2      LYS  13  30.126   6.153   4.305
  102   2HZ   LYS  13           HZ1      LYS  13  30.339   7.330   3.098
  103   3HZ   LYS  13           HZ3      LYS  13  29.301   7.636   4.404
  104    H    CYS  14           HN       CYS  14  31.364   5.273  -1.684
  105    HA   CYS  14           HA       CYS  14  30.973   5.063  -4.645
  106   1HB   CYS  14           HB2      CYS  14  33.337   5.705  -4.755
  107   2HB   CYS  14           HB1      CYS  14  32.447   6.858  -3.765
  108    H    ASN  15           HN       ASN  15  30.918   2.942  -2.250
  109    HA   ASN  15           HA       ASN  15  32.594   0.971  -3.738
  110   1HB   ASN  15           HB2      ASN  15  32.446   1.684  -0.820
  111   2HB   ASN  15           HB1      ASN  15  32.907   0.042  -1.292
  112   1HD2  ASN  15          HD22      ASN  15  35.702   2.855  -1.485
  113   2HD2  ASN  15          HD21      ASN  15  34.314   2.929  -0.510
  114    H    THR  16           HN       THR  16  31.238  -0.518  -1.065
  115    HA   THR  16           HA       THR  16  28.610  -0.922  -2.428
  116    HB   THR  16           HB       THR  16  29.642  -3.458  -1.595
  117    HG1  THR  16           HG1      THR  16  31.280  -3.334  -3.419
  118   1HG2  THR  16          HG23      THR  16  28.519  -2.108  -3.982
  119   2HG2  THR  16          HG22      THR  16  29.472  -3.558  -4.297
  120   3HG2  THR  16          HG21      THR  16  28.063  -3.639  -3.238
  121    H    CYS  17           HN       CYS  17  26.991  -1.022  -0.982
  122    HA   CYS  17           HA       CYS  17  27.683  -1.479   1.876
  123   1HB   CYS  17           HB2      CYS  17  25.404  -0.025   0.562
  124   2HB   CYS  17           HB1      CYS  17  25.605  -0.219   2.302
  125    H    ARG  18           HN       ARG  18  25.628  -2.164   3.116
  126    HA   ARG  18           HA       ARG  18  24.082  -4.289   1.722
  127   1HB   ARG  18           HB2      ARG  18  26.145  -5.241   2.815
  128   2HB   ARG  18           HB1      ARG  18  25.580  -4.588   4.354
  129   1HG   ARG  18           HG2      ARG  18  23.357  -5.940   3.482
  130   2HG   ARG  18           HG1      ARG  18  24.658  -6.962   2.871
  131   1HD   ARG  18           HD2      ARG  18  25.599  -7.227   5.077
  132   2HD   ARG  18           HD1      ARG  18  24.515  -5.990   5.744
  133    HE   ARG  18           HE       ARG  18  22.714  -7.718   4.686
  134   1HH1  ARG  18          HH11      ARG  18  25.592  -9.176   5.383
  135   2HH1  ARG  18          HH12      ARG  18  25.000 -10.202   6.646
  136   1HH2  ARG  18          HH21      ARG  18  21.913  -8.634   6.835
  137   2HH2  ARG  18          HH22      ARG  18  22.917  -9.894   7.469
  138    H    CYS  19           HN       CYS  19  22.180  -2.992   1.957
  139    HA   CYS  19           HA       CYS  19  21.578  -1.420   4.240
  140   1HB   CYS  19           HB2      CYS  19  20.649  -1.388   1.879
  141   2HB   CYS  19           HB1      CYS  19  19.597  -2.732   2.372
  142    H    GLY  20           HN       GLY  20  20.693  -1.861   6.180
  143   1HA   GLY  20           HA2      GLY  20  20.503  -4.652   7.010
  144   2HA   GLY  20           HA1      GLY  20  20.230  -3.249   8.037
  145    H    ALA  21           HN       ALA  21  18.548  -5.270   8.451
  146    HA   ALA  21           HA       ALA  21  16.244  -5.687   6.951
  147   1HB   ALA  21           HB1      ALA  21  16.762  -5.366   9.910
  148   2HB   ALA  21           HB3      ALA  21  15.173  -5.830   9.303
  149   3HB   ALA  21           HB2      ALA  21  16.572  -6.858   8.991
  150    H    ASP  22           HN       ASP  22  17.237  -2.766   8.580
  151    HA   ASP  22           HA       ASP  22  14.549  -1.534   8.240
  152   1HB   ASP  22           HB2      ASP  22  16.422  -1.431  10.223
  153   2HB   ASP  22           HB1      ASP  22  16.861   0.002   9.292
  154    H    GLY  23           HN       GLY  23  14.215   0.119   6.715
  155   1HA   GLY  23           HA2      GLY  23  16.255   0.372   4.615
  156   2HA   GLY  23           HA1      GLY  23  14.633   1.065   4.573
  157    H    LYS  24           HN       LYS  24  17.476   1.427   6.740
  158    HA   LYS  24           HA       LYS  24  17.633   4.294   6.083
  159   1HB   LYS  24           HB2      LYS  24  16.545   3.157   8.647
  160   2HB   LYS  24           HB1      LYS  24  17.347   4.728   8.647
  161   1HG   LYS  24           HG2      LYS  24  15.790   5.365   6.722
  162   2HG   LYS  24           HG1      LYS  24  14.875   3.908   7.110
  163   1HD   LYS  24           HD2      LYS  24  14.084   4.764   9.088
  164   2HD   LYS  24           HD1      LYS  24  15.544   5.711   9.383
  165   1HE   LYS  24           HE2      LYS  24  14.851   7.453   7.933
  166   2HE   LYS  24           HE1      LYS  24  13.635   6.427   7.147
  167   1HZ   LYS  24           HZ1      LYS  24  12.563   6.210   9.370
  168   2HZ   LYS  24           HZ3      LYS  24  13.620   7.402   9.952
  169   3HZ   LYS  24           HZ2      LYS  24  12.505   7.783   8.728
  170    H    SER  25           HN       SER  25  19.287   1.546   6.578
  171    HA   SER  25           HA       SER  25  21.700   3.019   7.198
  172   1HB   SER  25           HB2      SER  25  21.957   1.341   9.289
  173   2HB   SER  25           HB1      SER  25  21.209   2.926   9.452
  174    HG   SER  25           HG       SER  25  19.619   1.722  10.184
  175    H    ALA  26           HN       ALA  26  23.604   1.380   7.374
  176    HA   ALA  26           HA       ALA  26  23.181  -1.354   6.534
  177   1HB   ALA  26           HB1      ALA  26  22.456   0.174   4.577
  178   2HB   ALA  26           HB3      ALA  26  24.181   0.468   4.359
  179   3HB   ALA  26           HB2      ALA  26  23.544  -1.164   4.227
  180    H    ALA  27           HN       ALA  27  25.187  -2.497   6.315
  181    HA   ALA  27           HA       ALA  27  27.579  -0.997   7.284
  182   1HB   ALA  27           HB2      ALA  27  26.569  -3.489   7.834
  183   2HB   ALA  27           HB1      ALA  27  27.756  -3.869   6.586
  184   3HB   ALA  27           HB3      ALA  27  28.260  -3.044   8.060
  185    H    CYS  28           HN       CYS  28  29.379  -0.702   5.846
  186    HA   CYS  28           HA       CYS  28  28.825  -1.631   3.070
  187   1HB   CYS  28           HB2      CYS  28  28.566   0.851   3.906
  188   2HB   CYS  28           HB1      CYS  28  30.300   0.886   3.662
  189    H    THR  29           HN       THR  29  30.974  -0.976   1.729
  190    HA   THR  29           HA       THR  29  33.375  -1.982   3.159
  191    HB   THR  29           HB       THR  29  31.748  -3.654   1.722
  192    HG1  THR  29           HG1      THR  29  33.426  -5.021   1.876
  193   1HG2  THR  29          HG23      THR  29  32.481  -2.157  -0.315
  194   2HG2  THR  29          HG22      THR  29  33.962  -3.110  -0.229
  195   3HG2  THR  29          HG21      THR  29  32.413  -3.910  -0.495
  196    H    LEU  30           HN       LEU  30  35.313  -1.555   1.870
  197    HA   LEU  30           HA       LEU  30  34.985   0.955   0.304
  198   1HB   LEU  30           HB2      LEU  30  37.277  -0.277   1.858
  199   2HB   LEU  30           HB1      LEU  30  37.364   1.272   1.019
  200    HG   LEU  30           HG       LEU  30  36.833   1.788   3.291
  201   1HD1  LEU  30          HD13      LEU  30  35.402   2.800   1.382
  202   2HD1  LEU  30          HD12      LEU  30  34.115   1.764   1.997
  203   3HD1  LEU  30          HD11      LEU  30  34.828   2.996   3.038
  204   1HD2  LEU  30          HD21      LEU  30  35.909  -0.707   3.551
  205   2HD2  LEU  30          HD23      LEU  30  35.430   0.576   4.662
  206   3HD2  LEU  30          HD22      LEU  30  34.363   0.114   3.336
  207    H    LYS  31           HN       LYS  31  36.668   1.313  -1.356
  208    HA   LYS  31           HA       LYS  31  38.308  -0.487  -2.681
  209   1HB   LYS  31           HB2      LYS  31  35.491  -1.203  -2.803
  210   2HB   LYS  31           HB1      LYS  31  36.111  -0.886  -4.422
  211   1HG   LYS  31           HG2      LYS  31  38.099  -2.383  -3.773
  212   2HG   LYS  31           HG1      LYS  31  37.113  -2.897  -2.404
  213   1HD   LYS  31           HD2      LYS  31  35.437  -3.813  -3.814
  214   2HD   LYS  31           HD1      LYS  31  36.063  -2.975  -5.235
  215   1HE   LYS  31           HE2      LYS  31  37.609  -5.110  -3.722
  216   2HE   LYS  31           HE1      LYS  31  36.678  -5.411  -5.203
  217   1HZ   LYS  31           HZ3      LYS  31  38.024  -3.243  -5.917
  218   2HZ   LYS  31           HZ2      LYS  31  39.153  -3.918  -4.841
  219   3HZ   LYS  31           HZ1      LYS  31  38.612  -4.811  -6.182
  220    H    ALA  32           HN       ALA  32  38.121   0.080  -5.287
  221    HA   ALA  32           HA       ALA  32  38.719   2.766  -5.671
  222   1HB   ALA  32           HB3      ALA  32  37.255   0.837  -7.501
  223   2HB   ALA  32           HB2      ALA  32  38.021   2.331  -8.040
  224   3HB   ALA  32           HB1      ALA  32  39.002   1.030  -7.368
  225    H    CYS  33           HN       CYS  33  37.467   4.624  -6.290
  226    HA   CYS  33           HA       CYS  33  34.534   4.387  -5.698
  227   1HB   CYS  33           HB2      CYS  33  36.574   6.545  -5.084
  228   2HB   CYS  33           HB1      CYS  33  34.839   6.774  -4.870
  229    HA   PRO  34           HA       PRO  34  34.927   5.721 -10.062
  230   1HB   PRO  34           HB2      PRO  34  32.489   4.663 -10.763
  231   2HB   PRO  34           HB1      PRO  34  33.999   3.728 -10.751
  232   1HG   PRO  34           HG2      PRO  34  31.849   3.870  -8.681
  233   2HG   PRO  34           HG1      PRO  34  32.729   2.459  -9.296
  234   1HD   PRO  34           HD2      PRO  34  33.356   3.595  -6.943
  235   2HD   PRO  34           HD1      PRO  34  34.603   2.898  -8.002
  236    H    ASN  35           HN       ASN  35  34.688   7.958  -9.513
  237    HA   ASN  35           HA       ASN  35  31.845   8.887  -9.243
  238   1HB   ASN  35           HB2      ASN  35  34.200   9.294  -7.647
  239   2HB   ASN  35           HB1      ASN  35  33.709  10.844  -8.333
  240   1HD2  ASN  35          HD22      ASN  35  31.738  10.497  -5.228
  241   2HD2  ASN  35          HD21      ASN  35  33.362  10.750  -5.650
  242    H    GLN  36           HN       GLN  36  31.209  10.528 -10.664
  243    HA   GLN  36           HA       GLN  36  31.309  11.913 -12.578
  244   1HB   GLN  36           HB2      GLN  36  34.009  12.188 -11.253
  245   2HB   GLN  36           HB1      GLN  36  33.622  13.091 -12.717
  246   1HG   GLN  36           HG2      GLN  36  32.693  14.631 -11.349
  247   2HG   GLN  36           HG1      GLN  36  31.382  13.473 -11.124
  248   1HE2  GLN  36          HE22      GLN  36  32.122  13.191  -7.703
  249   2HE2  GLN  36          HE21      GLN  36  30.951  13.236  -8.930
   
  No H/Q in entry =         249
  Start of MODEL   29
    1   1H    GLU   1           HT2      GLU   1  15.618   9.531   6.904
    2   2H    GLU   1           HT1      GLU   1  16.010  10.330   8.350
    3   3H    GLU   1           HT3      GLU   1  16.197  11.127   6.866
    4    HA   GLU   1           HA       GLU   1  18.361  10.520   7.173
    5   1HB   GLU   1           HB2      GLU   1  18.942   8.659   8.627
    6   2HB   GLU   1           HB1      GLU   1  17.639   9.568   9.394
    7   1HG   GLU   1           HG2      GLU   1  16.240   7.777   7.848
    8   2HG   GLU   1           HG1      GLU   1  17.637   6.819   8.340
    9    H    ILE   2           HN       ILE   2  19.119   7.616   6.995
   10    HA   ILE   2           HA       ILE   2  18.990   7.338   4.108
   11    HB   ILE   2           HB       ILE   2  19.930   5.685   6.433
   12   1HG1  ILE   2          HG12      ILE   2  21.237   7.230   4.193
   13   2HG1  ILE   2          HG11      ILE   2  21.427   7.466   5.930
   14   1HG2  ILE   2          HG21      ILE   2  20.029   4.899   3.518
   15   2HG2  ILE   2          HG23      ILE   2  20.887   4.073   4.818
   16   3HG2  ILE   2          HG22      ILE   2  19.125   4.079   4.792
   17   1HD1  ILE   2          HD12      ILE   2  22.339   5.001   5.887
   18   2HD1  ILE   2          HD11      ILE   2  22.595   5.322   4.172
   19   3HD1  ILE   2          HD13      ILE   2  23.394   6.321   5.386
   20    H    SER   3           HN       SER   3  18.246   5.227   3.165
   21    HA   SER   3           HA       SER   3  16.320   3.567   4.435
   22   1HB   SER   3           HB2      SER   3  14.258   4.509   3.634
   23   2HB   SER   3           HB1      SER   3  15.165   5.860   4.308
   24    HG   SER   3           HG       SER   3  15.842   6.366   2.199
   25    H    CYS   4           HN       CYS   4  15.399   1.996   2.904
   26    HA   CYS   4           HA       CYS   4  15.882   2.058   0.064
   27   1HB   CYS   4           HB2      CYS   4  17.930   0.809  -0.051
   28   2HB   CYS   4           HB1      CYS   4  18.227   2.046   1.170
   29    H    GLU   5           HN       GLU   5  16.689  -0.715  -0.081
   30    HA   GLU   5           HA       GLU   5  14.216  -2.084   0.901
   31   1HB   GLU   5           HB2      GLU   5  15.063  -1.928  -1.609
   32   2HB   GLU   5           HB1      GLU   5  16.196  -3.180  -1.096
   33   1HG   GLU   5           HG2      GLU   5  14.417  -4.494  -1.798
   34   2HG   GLU   5           HG1      GLU   5  14.008  -4.291  -0.095
   35    HA   PRO   6           HA       PRO   6  17.491  -3.250   3.816
   36   1HB   PRO   6           HB2      PRO   6  15.761  -4.417   5.615
   37   2HB   PRO   6           HB1      PRO   6  16.104  -2.674   5.554
   38   1HG   PRO   6           HG2      PRO   6  13.821  -4.190   4.352
   39   2HG   PRO   6           HG1      PRO   6  13.804  -2.669   5.268
   40   1HD   PRO   6           HD2      PRO   6  13.644  -2.649   2.605
   41   2HD   PRO   6           HD1      PRO   6  14.608  -1.423   3.467
   42    H    GLY   7           HN       GLY   7  18.681  -5.020   3.584
   43   1HA   GLY   7           HA2      GLY   7  18.846  -7.489   3.877
   44   2HA   GLY   7           HA1      GLY   7  17.318  -7.621   3.007
   45    H    LYS   8           HN       LYS   8  18.520  -5.316   1.239
   46    HA   LYS   8           HA       LYS   8  19.963  -7.204  -0.577
   47   1HB   LYS   8           HB2      LYS   8  18.577  -4.556  -1.096
   48   2HB   LYS   8           HB1      LYS   8  19.253  -5.624  -2.328
   49   1HG   LYS   8           HG2      LYS   8  17.188  -6.622  -0.368
   50   2HG   LYS   8           HG1      LYS   8  16.712  -5.801  -1.855
   51   1HD   LYS   8           HD2      LYS   8  17.929  -7.441  -3.195
   52   2HD   LYS   8           HD1      LYS   8  18.519  -8.233  -1.733
   53   1HE   LYS   8           HE2      LYS   8  16.610  -9.441  -1.556
   54   2HE   LYS   8           HE1      LYS   8  15.621  -7.971  -1.665
   55   1HZ   LYS   8           HZ2      LYS   8  16.989  -9.075  -4.039
   56   2HZ   LYS   8           HZ1      LYS   8  15.459  -9.648  -3.574
   57   3HZ   LYS   8           HZ3      LYS   8  15.664  -8.014  -3.976
   58    H    THR   9           HN       THR   9  21.540  -5.893  -2.066
   59    HA   THR   9           HA       THR   9  23.299  -4.241  -0.290
   60    HB   THR   9           HB       THR   9  24.054  -5.653  -2.857
   61    HG1  THR   9           HG1      THR   9  23.646  -7.432  -1.844
   62   1HG2  THR   9          HG22      THR   9  25.513  -4.641  -0.415
   63   2HG2  THR   9          HG21      THR   9  26.250  -5.793  -1.528
   64   3HG2  THR   9          HG23      THR   9  25.768  -4.196  -2.102
   65    H    PHE  10           HN       PHE  10  24.496  -2.457  -1.494
   66    HA   PHE  10           HA       PHE  10  23.360  -1.599  -4.034
   67   1HB   PHE  10           HB2      PHE  10  22.450   0.501  -3.066
   68   2HB   PHE  10           HB1      PHE  10  21.622  -0.929  -2.471
   69    HD1  PHE  10           HD2      PHE  10  23.297  -1.927  -0.238
   70    HD2  PHE  10           HD1      PHE  10  22.452   2.109  -1.454
   71    HE1  PHE  10           HE2      PHE  10  23.755  -1.129   2.048
   72    HE2  PHE  10           HE1      PHE  10  22.873   2.883   0.848
   73    HZ   PHE  10           HZ       PHE  10  23.537   1.275   2.600
   74    H    LYS  11           HN       LYS  11  24.188   1.011  -4.031
   75    HA   LYS  11           HA       LYS  11  27.127   0.627  -3.950
   76   1HB   LYS  11           HB2      LYS  11  25.982   1.523  -5.941
   77   2HB   LYS  11           HB1      LYS  11  25.348   2.863  -4.986
   78   1HG   LYS  11           HG2      LYS  11  27.420   3.895  -4.799
   79   2HG   LYS  11           HG1      LYS  11  28.305   2.383  -5.002
   80   1HD   LYS  11           HD2      LYS  11  28.658   3.368  -7.078
   81   2HD   LYS  11           HD1      LYS  11  27.203   2.426  -7.406
   82   1HE   LYS  11           HE2      LYS  11  26.299   4.887  -6.335
   83   2HE   LYS  11           HE1      LYS  11  27.541   5.290  -7.537
   84   1HZ   LYS  11           HZ3      LYS  11  26.350   3.371  -8.843
   85   2HZ   LYS  11           HZ2      LYS  11  25.024   3.826  -7.885
   86   3HZ   LYS  11           HZ1      LYS  11  25.764   4.960  -8.911
   87    H    ASP  12           HN       ASP  12  25.300   3.618  -3.269
   88    HA   ASP  12           HA       ASP  12  25.516   5.150  -1.474
   89   1HB   ASP  12           HB2      ASP  12  25.078   2.736  -0.406
   90   2HB   ASP  12           HB1      ASP  12  26.726   2.966   0.180
   91    H    LYS  13           HN       LYS  13  27.166   6.631  -1.646
   92    HA   LYS  13           HA       LYS  13  29.359   7.528  -1.553
   93   1HB   LYS  13           HB2      LYS  13  30.195   4.821  -0.486
   94   2HB   LYS  13           HB1      LYS  13  30.883   6.400  -0.113
   95   1HG   LYS  13           HG2      LYS  13  29.508   6.562   1.656
   96   2HG   LYS  13           HG1      LYS  13  28.125   6.522   0.563
   97   1HD   LYS  13           HD2      LYS  13  27.654   4.356   1.049
   98   2HD   LYS  13           HD1      LYS  13  29.354   3.887   1.017
   99   1HE   LYS  13           HE2      LYS  13  29.261   3.777   3.282
  100   2HE   LYS  13           HE1      LYS  13  29.083   5.543   3.288
  101   1HZ   LYS  13           HZ2      LYS  13  26.846   3.627   2.891
  102   2HZ   LYS  13           HZ1      LYS  13  27.200   4.389   4.367
  103   3HZ   LYS  13           HZ3      LYS  13  26.723   5.316   3.030
  104    H    CYS  14           HN       CYS  14  31.645   5.394  -1.870
  105    HA   CYS  14           HA       CYS  14  31.232   4.952  -4.807
  106   1HB   CYS  14           HB2      CYS  14  33.634   5.474  -5.025
  107   2HB   CYS  14           HB1      CYS  14  32.771   6.809  -4.264
  108    H    ASN  15           HN       ASN  15  31.462   3.348  -1.927
  109    HA   ASN  15           HA       ASN  15  33.126   1.132  -2.999
  110   1HB   ASN  15           HB2      ASN  15  32.434   2.352  -0.370
  111   2HB   ASN  15           HB1      ASN  15  32.759   0.623  -0.356
  112   1HD2  ASN  15          HD22      ASN  15  35.789   2.827  -1.925
  113   2HD2  ASN  15          HD21      ASN  15  34.220   2.994  -2.520
  114    H    THR  16           HN       THR  16  31.445  -0.401  -0.771
  115    HA   THR  16           HA       THR  16  28.872  -0.541  -2.258
  116    HB   THR  16           HB       THR  16  29.566  -3.206  -1.789
  117    HG1  THR  16           HG1      THR  16  31.670  -1.896  -3.143
  118   1HG2  THR  16          HG22      THR  16  28.381  -1.877  -3.714
  119   2HG2  THR  16          HG21      THR  16  29.994  -1.833  -4.426
  120   3HG2  THR  16          HG23      THR  16  29.218  -3.383  -4.093
  121    H    CYS  17           HN       CYS  17  27.227  -0.621  -0.852
  122    HA   CYS  17           HA       CYS  17  27.785  -1.434   1.963
  123   1HB   CYS  17           HB2      CYS  17  25.828   0.406   0.641
  124   2HB   CYS  17           HB1      CYS  17  25.743  -0.013   2.354
  125    H    ARG  18           HN       ARG  18  26.390  -2.850   3.035
  126    HA   ARG  18           HA       ARG  18  24.403  -4.301   1.351
  127   1HB   ARG  18           HB2      ARG  18  26.198  -5.550   2.588
  128   2HB   ARG  18           HB1      ARG  18  25.579  -4.885   4.101
  129   1HG   ARG  18           HG2      ARG  18  23.425  -5.982   3.744
  130   2HG   ARG  18           HG1      ARG  18  23.964  -6.583   2.175
  131   1HD   ARG  18           HD2      ARG  18  24.158  -8.318   3.974
  132   2HD   ARG  18           HD1      ARG  18  25.738  -7.904   3.279
  133    HE   ARG  18           HE       ARG  18  26.044  -6.346   5.232
  134   1HH1  ARG  18          HH11      ARG  18  24.137  -5.811   6.931
  135   2HH1  ARG  18          HH12      ARG  18  23.855  -7.175   7.959
  136   1HH2  ARG  18          HH21      ARG  18  25.475  -9.421   5.872
  137   2HH2  ARG  18          HH22      ARG  18  24.612  -9.218   7.361
  138    H    CYS  19           HN       CYS  19  22.611  -2.835   1.454
  139    HA   CYS  19           HA       CYS  19  21.892  -1.351   3.783
  140   1HB   CYS  19           HB2      CYS  19  21.311  -1.285   1.203
  141   2HB   CYS  19           HB1      CYS  19  19.899  -2.182   1.750
  142    H    GLY  20           HN       GLY  20  20.291  -1.703   5.347
  143   1HA   GLY  20           HA2      GLY  20  18.305  -3.493   5.609
  144   2HA   GLY  20           HA1      GLY  20  19.696  -4.548   5.776
  145    H    ALA  21           HN       ALA  21  20.941  -1.907   7.076
  146    HA   ALA  21           HA       ALA  21  21.079  -2.659   9.719
  147   1HB   ALA  21           HB3      ALA  21  20.830   0.033   8.380
  148   2HB   ALA  21           HB2      ALA  21  21.088  -0.086  10.121
  149   3HB   ALA  21           HB1      ALA  21  22.281  -0.751   9.005
  150    H    ASP  22           HN       ASP  22  18.455  -0.700   8.296
  151    HA   ASP  22           HA       ASP  22  16.407  -1.861   9.960
  152   1HB   ASP  22           HB2      ASP  22  18.074   0.202  11.081
  153   2HB   ASP  22           HB1      ASP  22  16.433   0.825  10.908
  154    H    GLY  23           HN       GLY  23  16.436  -1.449   7.247
  155   1HA   GLY  23           HA2      GLY  23  15.340  -0.358   5.471
  156   2HA   GLY  23           HA1      GLY  23  14.074  -0.050   6.664
  157    H    LYS  24           HN       LYS  24  17.268   1.141   7.257
  158    HA   LYS  24           HA       LYS  24  16.866   3.798   6.101
  159   1HB   LYS  24           HB2      LYS  24  16.273   3.130   8.973
  160   2HB   LYS  24           HB1      LYS  24  16.911   4.725   8.570
  161   1HG   LYS  24           HG2      LYS  24  15.016   4.653   6.717
  162   2HG   LYS  24           HG1      LYS  24  14.285   3.491   7.824
  163   1HD   LYS  24           HD2      LYS  24  14.619   5.194   9.672
  164   2HD   LYS  24           HD1      LYS  24  15.065   6.355   8.420
  165   1HE   LYS  24           HE2      LYS  24  12.794   5.599   7.305
  166   2HE   LYS  24           HE1      LYS  24  12.389   5.097   8.960
  167   1HZ   LYS  24           HZ1      LYS  24  13.536   7.754   8.308
  168   2HZ   LYS  24           HZ3      LYS  24  11.867   7.478   8.419
  169   3HZ   LYS  24           HZ2      LYS  24  12.856   7.250   9.781
  170    H    SER  25           HN       SER  25  18.925   1.534   6.420
  171    HA   SER  25           HA       SER  25  21.177   3.279   6.555
  172   1HB   SER  25           HB2      SER  25  21.963   1.984   8.786
  173   2HB   SER  25           HB1      SER  25  21.048   3.488   8.849
  174    HG   SER  25           HG       SER  25  19.282   2.407   9.399
  175    H    ALA  26           HN       ALA  26  23.254   1.628   7.175
  176    HA   ALA  26           HA       ALA  26  22.896  -1.118   6.314
  177   1HB   ALA  26           HB2      ALA  26  22.399   0.333   4.270
  178   2HB   ALA  26           HB1      ALA  26  24.107   0.768   4.291
  179   3HB   ALA  26           HB3      ALA  26  23.633  -0.912   4.053
  180    H    ALA  27           HN       ALA  27  24.908  -2.264   6.169
  181    HA   ALA  27           HA       ALA  27  27.218  -0.860   7.460
  182   1HB   ALA  27           HB2      ALA  27  26.050  -3.506   7.460
  183   2HB   ALA  27           HB1      ALA  27  27.703  -3.620   6.858
  184   3HB   ALA  27           HB3      ALA  27  27.389  -2.916   8.445
  185    H    CYS  28           HN       CYS  28  29.455  -1.455   6.147
  186    HA   CYS  28           HA       CYS  28  28.695  -1.764   3.306
  187   1HB   CYS  28           HB2      CYS  28  28.975   0.632   4.358
  188   2HB   CYS  28           HB1      CYS  28  30.677   0.303   4.076
  189    H    THR  29           HN       THR  29  30.995  -1.404   2.057
  190    HA   THR  29           HA       THR  29  33.111  -3.056   3.314
  191    HB   THR  29           HB       THR  29  31.132  -4.238   1.828
  192    HG1  THR  29           HG1      THR  29  32.581  -5.494   2.823
  193   1HG2  THR  29          HG22      THR  29  32.048  -2.799  -0.144
  194   2HG2  THR  29          HG21      THR  29  33.372  -3.963  -0.163
  195   3HG2  THR  29          HG23      THR  29  31.717  -4.507  -0.429
  196    H    LEU  30           HN       LEU  30  35.050  -3.010   1.953
  197    HA   LEU  30           HA       LEU  30  35.334  -0.336   0.747
  198   1HB   LEU  30           HB2      LEU  30  37.489  -2.304   1.494
  199   2HB   LEU  30           HB1      LEU  30  37.593  -0.542   1.435
  200    HG   LEU  30           HG       LEU  30  35.811  -2.085   3.351
  201   1HD1  LEU  30          HD11      LEU  30  38.600  -1.065   3.580
  202   2HD1  LEU  30          HD13      LEU  30  37.544  -0.983   4.990
  203   3HD1  LEU  30          HD12      LEU  30  37.880  -2.539   4.230
  204   1HD2  LEU  30          HD22      LEU  30  35.123   0.256   2.657
  205   2HD2  LEU  30          HD21      LEU  30  35.399   0.043   4.386
  206   3HD2  LEU  30          HD23      LEU  30  36.622   0.831   3.390
  207    H    LYS  31           HN       LYS  31  36.151   0.021  -1.291
  208    HA   LYS  31           HA       LYS  31  37.303  -1.984  -3.010
  209   1HB   LYS  31           HB2      LYS  31  34.697  -2.448  -2.641
  210   2HB   LYS  31           HB1      LYS  31  34.545  -1.207  -3.886
  211   1HG   LYS  31           HG2      LYS  31  34.638  -3.326  -5.020
  212   2HG   LYS  31           HG1      LYS  31  36.198  -2.541  -5.271
  213   1HD   LYS  31           HD2      LYS  31  36.867  -3.835  -3.073
  214   2HD   LYS  31           HD1      LYS  31  35.516  -4.879  -3.519
  215   1HE   LYS  31           HE2      LYS  31  38.000  -4.276  -5.154
  216   2HE   LYS  31           HE1      LYS  31  37.428  -5.856  -4.580
  217   1HZ   LYS  31           HZ1      LYS  31  35.324  -5.350  -5.852
  218   2HZ   LYS  31           HZ3      LYS  31  36.173  -4.088  -6.602
  219   3HZ   LYS  31           HZ2      LYS  31  36.695  -5.693  -6.797
  220    H    ALA  32           HN       ALA  32  37.344  -1.068  -5.352
  221    HA   ALA  32           HA       ALA  32  38.421   1.521  -5.443
  222   1HB   ALA  32           HB3      ALA  32  38.437  -0.376  -7.157
  223   2HB   ALA  32           HB2      ALA  32  36.847   0.194  -7.664
  224   3HB   ALA  32           HB1      ALA  32  38.252   1.248  -7.821
  225    H    CYS  33           HN       CYS  33  37.533   3.558  -6.176
  226    HA   CYS  33           HA       CYS  33  34.590   3.824  -5.675
  227   1HB   CYS  33           HB2      CYS  33  36.971   5.669  -5.367
  228   2HB   CYS  33           HB1      CYS  33  35.307   6.247  -5.252
  229    HA   PRO  34           HA       PRO  34  34.898   4.496 -10.176
  230   1HB   PRO  34           HB2      PRO  34  32.203   4.123 -10.583
  231   2HB   PRO  34           HB1      PRO  34  33.376   2.791 -10.502
  232   1HG   PRO  34           HG2      PRO  34  31.574   3.849  -8.364
  233   2HG   PRO  34           HG1      PRO  34  31.926   2.169  -8.808
  234   1HD   PRO  34           HD2      PRO  34  33.101   3.319  -6.694
  235   2HD   PRO  34           HD1      PRO  34  33.987   2.177  -7.734
  236    H    ASN  35           HN       ASN  35  34.874   6.565 -10.959
  237    HA   ASN  35           HA       ASN  35  33.077   8.559  -9.634
  238   1HB   ASN  35           HB2      ASN  35  35.792   8.505 -10.056
  239   2HB   ASN  35           HB1      ASN  35  35.239   9.453 -11.436
  240   1HD2  ASN  35          HD22      ASN  35  34.243  12.241  -9.469
  241   2HD2  ASN  35          HD21      ASN  35  34.167  11.512 -11.000
  242    H    GLN  36           HN       GLN  36  32.094  10.202 -11.074
  243    HA   GLN  36           HA       GLN  36  31.857   9.393 -13.939
  244   1HB   GLN  36           HB2      GLN  36  30.065   8.397 -12.396
  245   2HB   GLN  36           HB1      GLN  36  29.485  10.049 -12.176
  246   1HG   GLN  36           HG2      GLN  36  29.835   9.745 -14.952
  247   2HG   GLN  36           HG1      GLN  36  29.061   8.255 -14.409
  248   1HE2  GLN  36          HE22      GLN  36  25.937   9.812 -14.023
  249   2HE2  GLN  36          HE21      GLN  36  26.821   8.377 -14.229
   
  No H/Q in entry =         249
  Start of MODEL   30
    1   1H    GLU   1           HT3      GLU   1  20.651  11.228   5.377
    2   2H    GLU   1           HT2      GLU   1  20.026  11.960   6.777
    3   3H    GLU   1           HT1      GLU   1  21.539  11.190   6.822
    4    HA   GLU   1           HA       GLU   1  20.312   9.510   7.721
    5   1HB   GLU   1           HB2      GLU   1  17.884   9.341   7.194
    6   2HB   GLU   1           HB1      GLU   1  18.325  10.962   7.730
    7   1HG   GLU   1           HG2      GLU   1  18.729  10.931   4.934
    8   2HG   GLU   1           HG1      GLU   1  17.174  10.146   5.213
    9    H    ILE   2           HN       ILE   2  19.302   7.400   6.779
   10    HA   ILE   2           HA       ILE   2  20.254   6.993   3.957
   11    HB   ILE   2           HB       ILE   2  20.610   5.379   6.470
   12   1HG1  ILE   2          HG12      ILE   2  22.449   6.580   4.394
   13   2HG1  ILE   2          HG11      ILE   2  22.392   6.936   6.120
   14   1HG2  ILE   2          HG23      ILE   2  20.973   4.459   3.617
   15   2HG2  ILE   2          HG22      ILE   2  21.569   3.589   5.028
   16   3HG2  ILE   2          HG21      ILE   2  19.836   3.810   4.799
   17   1HD1  ILE   2          HD13      ILE   2  22.849   4.261   6.201
   18   2HD1  ILE   2          HD12      ILE   2  23.678   4.674   4.700
   19   3HD1  ILE   2          HD11      ILE   2  24.137   5.465   6.209
   20    H    SER   3           HN       SER   3  19.295   4.959   3.033
   21    HA   SER   3           HA       SER   3  17.003   3.700   4.150
   22   1HB   SER   3           HB2      SER   3  15.575   5.058   2.213
   23   2HB   SER   3           HB1      SER   3  15.570   5.456   3.929
   24    HG   SER   3           HG       SER   3  16.614   6.817   1.832
   25    H    CYS   4           HN       CYS   4  16.110   2.119   2.738
   26    HA   CYS   4           HA       CYS   4  16.406   1.847  -0.029
   27   1HB   CYS   4           HB2      CYS   4  18.479   0.255   0.058
   28   2HB   CYS   4           HB1      CYS   4  18.747   1.991   0.055
   29    H    GLU   5           HN       GLU   5  16.252  -0.505  -0.720
   30    HA   GLU   5           HA       GLU   5  14.255  -1.913   0.694
   31   1HB   GLU   5           HB2      GLU   5  16.449  -2.874  -1.175
   32   2HB   GLU   5           HB1      GLU   5  15.026  -3.826  -0.747
   33   1HG   GLU   5           HG2      GLU   5  13.839  -2.774  -2.340
   34   2HG   GLU   5           HG1      GLU   5  14.135  -1.231  -1.539
   35    HA   PRO   6           HA       PRO   6  17.009  -3.041   4.101
   36   1HB   PRO   6           HB2      PRO   6  14.987  -4.006   5.698
   37   2HB   PRO   6           HB1      PRO   6  15.413  -2.286   5.583
   38   1HG   PRO   6           HG2      PRO   6  13.235  -3.787   4.198
   39   2HG   PRO   6           HG1      PRO   6  13.192  -2.191   4.972
   40   1HD   PRO   6           HD2      PRO   6  13.382  -2.450   2.305
   41   2HD   PRO   6           HD1      PRO   6  14.211  -1.141   3.181
   42    H    GLY   7           HN       GLY   7  18.126  -4.911   3.943
   43   1HA   GLY   7           HA2      GLY   7  18.148  -7.352   4.341
   44   2HA   GLY   7           HA1      GLY   7  16.609  -7.443   3.486
   45    H    LYS   8           HN       LYS   8  17.924  -5.336   1.570
   46    HA   LYS   8           HA       LYS   8  19.211  -7.414  -0.149
   47   1HB   LYS   8           HB2      LYS   8  18.101  -4.689  -0.871
   48   2HB   LYS   8           HB1      LYS   8  18.502  -6.002  -1.980
   49   1HG   LYS   8           HG2      LYS   8  16.790  -7.326  -0.392
   50   2HG   LYS   8           HG1      LYS   8  16.148  -5.698  -0.176
   51   1HD   LYS   8           HD2      LYS   8  15.832  -5.426  -2.552
   52   2HD   LYS   8           HD1      LYS   8  16.694  -6.928  -2.890
   53   1HE   LYS   8           HE2      LYS   8  14.921  -8.267  -2.162
   54   2HE   LYS   8           HE1      LYS   8  14.258  -6.995  -1.119
   55   1HZ   LYS   8           HZ3      LYS   8  14.467  -6.599  -4.037
   56   2HZ   LYS   8           HZ2      LYS   8  13.131  -7.414  -3.375
   57   3HZ   LYS   8           HZ1      LYS   8  13.457  -5.808  -2.927
   58    H    THR   9           HN       THR   9  20.850  -6.341  -1.736
   59    HA   THR   9           HA       THR   9  22.768  -4.732  -0.102
   60    HB   THR   9           HB       THR   9  23.384  -6.282  -2.613
   61    HG1  THR   9           HG1      THR   9  23.612  -7.453  -0.086
   62   1HG2  THR   9          HG21      THR   9  24.908  -5.445  -0.140
   63   2HG2  THR   9          HG23      THR   9  25.543  -6.611  -1.301
   64   3HG2  THR   9          HG22      THR   9  25.203  -4.957  -1.808
   65    H    PHE  10           HN       PHE  10  24.095  -3.138  -1.385
   66    HA   PHE  10           HA       PHE  10  23.121  -2.291  -3.985
   67   1HB   PHE  10           HB2      PHE  10  22.167  -0.153  -3.209
   68   2HB   PHE  10           HB1      PHE  10  21.288  -1.525  -2.559
   69    HD1  PHE  10           HD2      PHE  10  23.038  -2.310  -0.197
   70    HD2  PHE  10           HD1      PHE  10  21.858   1.550  -1.680
   71    HE1  PHE  10           HE2      PHE  10  23.329  -1.354   2.051
   72    HE2  PHE  10           HE1      PHE  10  22.120   2.485   0.592
   73    HZ   PHE  10           HZ       PHE  10  22.867   1.042   2.455
   74    H    LYS  11           HN       LYS  11  23.994   0.317  -4.001
   75    HA   LYS  11           HA       LYS  11  26.918  -0.075  -3.464
   76   1HB   LYS  11           HB2      LYS  11  25.883   0.361  -5.780
   77   2HB   LYS  11           HB1      LYS  11  25.572   2.002  -5.213
   78   1HG   LYS  11           HG2      LYS  11  27.941   2.359  -4.793
   79   2HG   LYS  11           HG1      LYS  11  28.301   0.681  -5.199
   80   1HD   LYS  11           HD2      LYS  11  28.332   1.137  -7.408
   81   2HD   LYS  11           HD1      LYS  11  26.790   1.987  -7.316
   82   1HE   LYS  11           HE2      LYS  11  28.179   3.763  -7.898
   83   2HE   LYS  11           HE1      LYS  11  28.333   3.845  -6.131
   84   1HZ   LYS  11           HZ1      LYS  11  30.063   2.092  -7.774
   85   2HZ   LYS  11           HZ3      LYS  11  30.483   3.705  -7.457
   86   3HZ   LYS  11           HZ2      LYS  11  30.302   2.608  -6.173
   87    H    ASP  12           HN       ASP  12  24.535   2.619  -3.491
   88    HA   ASP  12           HA       ASP  12  24.343   4.509  -2.094
   89   1HB   ASP  12           HB2      ASP  12  24.091   2.694  -0.443
   90   2HB   ASP  12           HB1      ASP  12  25.840   2.625  -0.247
   91    H    LYS  13           HN       LYS  13  27.229   3.866  -0.293
   92    HA   LYS  13           HA       LYS  13  28.488   6.295  -0.956
   93   1HB   LYS  13           HB2      LYS  13  29.702   3.673  -0.036
   94   2HB   LYS  13           HB1      LYS  13  30.423   5.269   0.168
   95   1HG   LYS  13           HG2      LYS  13  27.649   4.929   1.185
   96   2HG   LYS  13           HG1      LYS  13  28.927   4.110   2.085
   97   1HD   LYS  13           HD2      LYS  13  29.154   7.015   1.291
   98   2HD   LYS  13           HD1      LYS  13  28.377   6.521   2.794
   99   1HE   LYS  13           HE2      LYS  13  30.365   5.784   3.741
  100   2HE   LYS  13           HE1      LYS  13  31.089   5.399   2.167
  101   1HZ   LYS  13           HZ1      LYS  13  30.862   7.897   1.733
  102   2HZ   LYS  13           HZ3      LYS  13  30.697   8.048   3.414
  103   3HZ   LYS  13           HZ2      LYS  13  32.116   7.384   2.757
  104    H    CYS  14           HN       CYS  14  31.179   5.347  -1.587
  105    HA   CYS  14           HA       CYS  14  30.827   5.010  -4.519
  106   1HB   CYS  14           HB2      CYS  14  33.209   5.677  -4.554
  107   2HB   CYS  14           HB1      CYS  14  32.245   6.821  -3.620
  108    H    ASN  15           HN       ASN  15  31.040   2.941  -1.970
  109    HA   ASN  15           HA       ASN  15  32.719   0.998  -3.499
  110   1HB   ASN  15           HB2      ASN  15  32.344   1.628  -0.580
  111   2HB   ASN  15           HB1      ASN  15  32.888   0.016  -1.064
  112   1HD2  ASN  15          HD22      ASN  15  35.622   2.872  -0.932
  113   2HD2  ASN  15          HD21      ASN  15  34.177   2.847  -0.038
  114    H    THR  16           HN       THR  16  31.217  -0.577  -0.957
  115    HA   THR  16           HA       THR  16  28.695  -0.982  -2.497
  116    HB   THR  16           HB       THR  16  29.680  -3.533  -1.693
  117    HG1  THR  16           HG1      THR  16  31.391  -2.376  -3.574
  118   1HG2  THR  16          HG23      THR  16  28.206  -2.417  -3.699
  119   2HG2  THR  16          HG22      THR  16  29.718  -2.751  -4.542
  120   3HG2  THR  16          HG21      THR  16  28.845  -4.060  -3.747
  121    H    CYS  17           HN       CYS  17  27.009  -1.079  -1.155
  122    HA   CYS  17           HA       CYS  17  27.495  -1.633   1.721
  123   1HB   CYS  17           HB2      CYS  17  25.343  -0.130   0.266
  124   2HB   CYS  17           HB1      CYS  17  25.363  -0.405   2.008
  125    H    ARG  18           HN       ARG  18  25.379  -2.355   2.806
  126    HA   ARG  18           HA       ARG  18  23.919  -4.444   1.273
  127   1HB   ARG  18           HB2      ARG  18  25.904  -5.448   2.430
  128   2HB   ARG  18           HB1      ARG  18  25.306  -4.800   3.959
  129   1HG   ARG  18           HG2      ARG  18  23.356  -6.184   3.891
  130   2HG   ARG  18           HG1      ARG  18  23.656  -6.640   2.214
  131   1HD   ARG  18           HD2      ARG  18  24.991  -8.352   2.865
  132   2HD   ARG  18           HD1      ARG  18  25.960  -7.266   3.880
  133    HE   ARG  18           HE       ARG  18  23.866  -7.458   5.479
  134   1HH1  ARG  18          HH21      ARG  18  25.774  -9.824   3.934
  135   2HH1  ARG  18          HH22      ARG  18  24.995 -11.169   4.698
  136   1HH2  ARG  18          HH11      ARG  18  22.587  -9.227   6.263
  137   2HH2  ARG  18          HH12      ARG  18  23.191 -10.832   6.016
  138    H    CYS  19           HN       CYS  19  22.096  -2.991   1.433
  139    HA   CYS  19           HA       CYS  19  21.302  -1.594   3.770
  140   1HB   CYS  19           HB2      CYS  19  20.568  -1.316   1.370
  141   2HB   CYS  19           HB1      CYS  19  19.518  -2.721   1.606
  142    H    GLY  20           HN       GLY  20  20.026  -2.112   5.517
  143   1HA   GLY  20           HA2      GLY  20  18.212  -4.219   5.761
  144   2HA   GLY  20           HA1      GLY  20  19.775  -4.938   6.108
  145    H    ALA  21           HN       ALA  21  20.778  -2.410   7.348
  146    HA   ALA  21           HA       ALA  21  20.482  -2.880  10.031
  147   1HB   ALA  21           HB3      ALA  21  20.741  -0.383   8.387
  148   2HB   ALA  21           HB2      ALA  21  20.601  -0.244  10.140
  149   3HB   ALA  21           HB1      ALA  21  21.933  -1.156   9.431
  150    H    ASP  22           HN       ASP  22  18.304  -0.626   8.253
  151    HA   ASP  22           HA       ASP  22  15.927  -1.593   9.578
  152   1HB   ASP  22           HB2      ASP  22  17.229  -0.516  11.450
  153   2HB   ASP  22           HB1      ASP  22  17.081   1.021  10.597
  154    H    GLY  23           HN       GLY  23  15.945  -1.223   6.992
  155   1HA   GLY  23           HA2      GLY  23  15.266   0.088   5.142
  156   2HA   GLY  23           HA1      GLY  23  13.980   0.568   6.251
  157    H    LYS  24           HN       LYS  24  17.318   1.278   6.950
  158    HA   LYS  24           HA       LYS  24  17.386   3.958   5.833
  159   1HB   LYS  24           HB2      LYS  24  16.344   3.416   8.584
  160   2HB   LYS  24           HB1      LYS  24  17.378   4.829   8.367
  161   1HG   LYS  24           HG2      LYS  24  15.729   5.123   6.235
  162   2HG   LYS  24           HG1      LYS  24  14.634   4.321   7.361
  163   1HD   LYS  24           HD2      LYS  24  16.296   6.743   8.097
  164   2HD   LYS  24           HD1      LYS  24  14.632   6.847   7.519
  165   1HE   LYS  24           HE2      LYS  24  14.779   4.864   9.609
  166   2HE   LYS  24           HE1      LYS  24  15.476   6.391  10.185
  167   1HZ   LYS  24           HZ3      LYS  24  13.486   7.449   8.998
  168   2HZ   LYS  24           HZ2      LYS  24  12.793   5.899   9.051
  169   3HZ   LYS  24           HZ1      LYS  24  13.207   6.698  10.492
  170    H    SER  25           HN       SER  25  19.049   1.448   6.267
  171    HA   SER  25           HA       SER  25  21.504   2.842   6.723
  172   1HB   SER  25           HB2      SER  25  21.831   1.295   8.917
  173   2HB   SER  25           HB1      SER  25  21.172   2.927   9.002
  174    HG   SER  25           HG       SER  25  19.326   2.102   9.557
  175    H    ALA  26           HN       ALA  26  23.351   1.099   6.996
  176    HA   ALA  26           HA       ALA  26  22.749  -1.630   6.200
  177   1HB   ALA  26           HB1      ALA  26  22.168  -0.032   4.244
  178   2HB   ALA  26           HB3      ALA  26  23.913   0.123   4.050
  179   3HB   ALA  26           HB2      ALA  26  23.147  -1.450   3.894
  180    H    ALA  27           HN       ALA  27  24.709  -2.893   6.013
  181    HA   ALA  27           HA       ALA  27  27.123  -1.550   7.117
  182   1HB   ALA  27           HB1      ALA  27  26.023  -3.999   7.513
  183   2HB   ALA  27           HB3      ALA  27  27.164  -4.383   6.224
  184   3HB   ALA  27           HB2      ALA  27  27.744  -3.674   7.732
  185    H    CYS  28           HN       CYS  28  28.924  -1.121   5.785
  186    HA   CYS  28           HA       CYS  28  28.552  -1.907   2.938
  187   1HB   CYS  28           HB2      CYS  28  28.246   0.526   3.895
  188   2HB   CYS  28           HB1      CYS  28  29.993   0.564   3.762
  189    H    THR  29           HN       THR  29  30.794  -1.168   1.784
  190    HA   THR  29           HA       THR  29  33.092  -2.255   3.315
  191    HB   THR  29           HB       THR  29  31.564  -3.853   1.688
  192    HG1  THR  29           HG1      THR  29  33.235  -5.233   1.886
  193   1HG2  THR  29          HG21      THR  29  32.377  -2.313  -0.239
  194   2HG2  THR  29          HG23      THR  29  33.921  -3.145  -0.047
  195   3HG2  THR  29          HG22      THR  29  32.474  -4.059  -0.471
  196    H    LEU  30           HN       LEU  30  35.106  -1.751   2.201
  197    HA   LEU  30           HA       LEU  30  34.885   0.843   0.771
  198   1HB   LEU  30           HB2      LEU  30  37.069  -0.534   2.355
  199   2HB   LEU  30           HB1      LEU  30  37.240   1.057   1.613
  200    HG   LEU  30           HG       LEU  30  36.597   1.449   3.885
  201   1HD1  LEU  30          HD12      LEU  30  35.370   2.723   2.073
  202   2HD1  LEU  30          HD11      LEU  30  34.030   1.598   2.295
  203   3HD1  LEU  30          HD13      LEU  30  34.531   2.645   3.623
  204   1HD2  LEU  30          HD22      LEU  30  35.610  -1.010   3.980
  205   2HD2  LEU  30          HD21      LEU  30  35.031   0.236   5.086
  206   3HD2  LEU  30          HD23      LEU  30  34.095  -0.172   3.648
  207    H    LYS  31           HN       LYS  31  36.553   1.298  -0.836
  208    HA   LYS  31           HA       LYS  31  38.242  -0.482  -2.186
  209   1HB   LYS  31           HB2      LYS  31  35.492  -1.186  -2.411
  210   2HB   LYS  31           HB1      LYS  31  35.969  -0.524  -3.973
  211   1HG   LYS  31           HG2      LYS  31  38.127  -2.094  -3.405
  212   2HG   LYS  31           HG1      LYS  31  36.830  -3.020  -2.648
  213   1HD   LYS  31           HD2      LYS  31  35.565  -3.039  -4.728
  214   2HD   LYS  31           HD1      LYS  31  36.758  -1.995  -5.500
  215   1HE   LYS  31           HE2      LYS  31  37.544  -4.052  -6.236
  216   2HE   LYS  31           HE1      LYS  31  38.402  -3.978  -4.684
  217   1HZ   LYS  31           HZ1      LYS  31  36.222  -4.929  -3.746
  218   2HZ   LYS  31           HZ3      LYS  31  35.898  -5.395  -5.344
  219   3HZ   LYS  31           HZ2      LYS  31  37.279  -5.987  -4.551
  220    H    ALA  32           HN       ALA  32  38.556   0.347  -4.568
  221    HA   ALA  32           HA       ALA  32  39.045   3.088  -4.669
  222   1HB   ALA  32           HB3      ALA  32  38.322   1.028  -6.756
  223   2HB   ALA  32           HB2      ALA  32  38.712   2.684  -7.219
  224   3HB   ALA  32           HB1      ALA  32  39.910   1.697  -6.381
  225    H    CYS  33           HN       CYS  33  37.838   4.892  -5.567
  226    HA   CYS  33           HA       CYS  33  34.871   4.450  -5.691
  227   1HB   CYS  33           HB2      CYS  33  36.493   6.693  -4.445
  228   2HB   CYS  33           HB1      CYS  33  34.736   6.701  -4.577
  229    HA   PRO  34           HA       PRO  34  35.317   6.237  -9.710
  230   1HB   PRO  34           HB2      PRO  34  32.667   6.876 -10.086
  231   2HB   PRO  34           HB1      PRO  34  33.316   5.231 -10.259
  232   1HG   PRO  34           HG2      PRO  34  31.932   6.477  -7.919
  233   2HG   PRO  34           HG1      PRO  34  31.696   4.875  -8.642
  234   1HD   PRO  34           HD2      PRO  34  33.141   5.181  -6.411
  235   2HD   PRO  34           HD1      PRO  34  33.611   4.000  -7.658
  236    H    ASN  35           HN       ASN  35  34.687   8.391 -10.787
  237    HA   ASN  35           HA       ASN  35  35.671  10.622  -9.508
  238   1HB   ASN  35           HB2      ASN  35  34.274   9.999 -11.857
  239   2HB   ASN  35           HB1      ASN  35  33.330  11.288 -11.107
  240   1HD2  ASN  35          HD22      ASN  35  36.591  12.352 -13.064
  241   2HD2  ASN  35          HD21      ASN  35  35.697  10.934 -13.334
  242    H    GLN  36           HN       GLN  36  34.887  12.174  -8.062
  243    HA   GLN  36           HA       GLN  36  32.300  11.524  -6.714
  244   1HB   GLN  36           HB2      GLN  36  34.969  12.435  -5.942
  245   2HB   GLN  36           HB1      GLN  36  33.696  13.429  -5.232
  246   1HG   GLN  36           HG2      GLN  36  32.605  11.455  -4.312
  247   2HG   GLN  36           HG1      GLN  36  33.771  10.400  -5.111
  248   1HE2  GLN  36          HE22      GLN  36  36.333  10.963  -2.713
  249   2HE2  GLN  36          HE21      GLN  36  35.967  10.331  -4.245
   
  No H/Q in entry =         249
  Start of MODEL   31
    1   1H    GLU   1           HT1      GLU   1  22.260  10.615   5.759
    2   2H    GLU   1           HT3      GLU   1  21.037  11.773   5.564
    3   3H    GLU   1           HT2      GLU   1  21.769  11.559   7.083
    4    HA   GLU   1           HA       GLU   1  20.662   9.589   7.512
    5   1HB   GLU   1           HB2      GLU   1  18.785  11.134   5.701
    6   2HB   GLU   1           HB1      GLU   1  18.360  10.203   7.137
    7   1HG   GLU   1           HG2      GLU   1  19.533  11.764   8.572
    8   2HG   GLU   1           HG1      GLU   1  20.165  12.636   7.176
    9    H    ILE   2           HN       ILE   2  20.092   7.531   6.775
   10    HA   ILE   2           HA       ILE   2  20.307   7.072   3.815
   11    HB   ILE   2           HB       ILE   2  20.993   5.481   6.274
   12   1HG1  ILE   2          HG12      ILE   2  22.459   6.575   3.883
   13   2HG1  ILE   2          HG11      ILE   2  22.847   6.763   5.592
   14   1HG2  ILE   2          HG21      ILE   2  20.743   4.426   3.453
   15   2HG2  ILE   2          HG23      ILE   2  21.487   3.554   4.791
   16   3HG2  ILE   2          HG22      ILE   2  19.769   3.943   4.843
   17   1HD1  ILE   2          HD12      ILE   2  23.049   4.166   4.034
   18   2HD1  ILE   2          HD11      ILE   2  24.411   5.197   4.469
   19   3HD1  ILE   2          HD13      ILE   2  23.479   4.390   5.729
   20    H    SER   3           HN       SER   3  19.069   5.089   3.141
   21    HA   SER   3           HA       SER   3  16.901   4.036   4.642
   22   1HB   SER   3           HB2      SER   3  15.179   5.348   3.054
   23   2HB   SER   3           HB1      SER   3  15.725   6.038   4.580
   24    HG   SER   3           HG       SER   3  16.122   7.595   3.110
   25    H    CYS   4           HN       CYS   4  15.829   2.380   3.439
   26    HA   CYS   4           HA       CYS   4  15.751   2.070   0.636
   27   1HB   CYS   4           HB2      CYS   4  17.996   1.963   0.231
   28   2HB   CYS   4           HB1      CYS   4  18.350   1.702   1.919
   29    H    GLU   5           HN       GLU   5  15.726  -0.406   0.090
   30    HA   GLU   5           HA       GLU   5  13.767  -1.683   1.796
   31   1HB   GLU   5           HB2      GLU   5  15.243  -2.188  -0.729
   32   2HB   GLU   5           HB1      GLU   5  14.681  -3.631   0.115
   33   1HG   GLU   5           HG2      GLU   5  12.963  -2.849  -1.456
   34   2HG   GLU   5           HG1      GLU   5  12.396  -2.668   0.204
   35    HA   PRO   6           HA       PRO   6  17.023  -3.082   4.570
   36   1HB   PRO   6           HB2      PRO   6  15.284  -4.186   6.390
   37   2HB   PRO   6           HB1      PRO   6  15.691  -2.458   6.340
   38   1HG   PRO   6           HG2      PRO   6  13.319  -3.873   5.199
   39   2HG   PRO   6           HG1      PRO   6  13.393  -2.346   6.100
   40   1HD   PRO   6           HD2      PRO   6  13.164  -2.373   3.431
   41   2HD   PRO   6           HD1      PRO   6  14.145  -1.145   4.265
   42    H    GLY   7           HN       GLY   7  18.071  -5.030   4.527
   43   1HA   GLY   7           HA2      GLY   7  18.075  -7.470   4.640
   44   2HA   GLY   7           HA1      GLY   7  16.493  -7.468   3.860
   45    H    LYS   8           HN       LYS   8  17.867  -5.194   2.101
   46    HA   LYS   8           HA       LYS   8  18.915  -7.173   0.119
   47   1HB   LYS   8           HB2      LYS   8  18.141  -4.302  -0.383
   48   2HB   LYS   8           HB1      LYS   8  18.175  -5.644  -1.528
   49   1HG   LYS   8           HG2      LYS   8  16.430  -6.588   0.366
   50   2HG   LYS   8           HG1      LYS   8  16.068  -4.862   0.382
   51   1HD   LYS   8           HD2      LYS   8  14.708  -5.443  -1.371
   52   2HD   LYS   8           HD1      LYS   8  16.204  -5.255  -2.284
   53   1HE   LYS   8           HE2      LYS   8  16.542  -7.562  -2.468
   54   2HE   LYS   8           HE1      LYS   8  15.566  -7.918  -1.028
   55   1HZ   LYS   8           HZ3      LYS   8  13.608  -7.115  -2.209
   56   2HZ   LYS   8           HZ2      LYS   8  14.544  -6.822  -3.597
   57   3HZ   LYS   8           HZ1      LYS   8  14.318  -8.410  -3.040
   58    H    THR   9           HN       THR   9  20.624  -6.204  -1.372
   59    HA   THR   9           HA       THR   9  22.589  -4.593   0.218
   60    HB   THR   9           HB       THR   9  23.260  -6.692  -1.843
   61    HG1  THR   9           HG1      THR   9  22.602  -8.136  -0.497
   62   1HG2  THR   9          HG22      THR   9  24.956  -5.007  -0.937
   63   2HG2  THR   9          HG21      THR   9  24.792  -5.833   0.612
   64   3HG2  THR   9          HG23      THR   9  25.395  -6.709  -0.795
   65    H    PHE  10           HN       PHE  10  24.088  -3.325  -1.150
   66    HA   PHE  10           HA       PHE  10  23.517  -2.991  -3.993
   67   1HB   PHE  10           HB2      PHE  10  22.745  -0.578  -3.616
   68   2HB   PHE  10           HB1      PHE  10  21.589  -1.840  -3.212
   69    HD1  PHE  10           HD2      PHE  10  24.305  -1.704  -0.841
   70    HD2  PHE  10           HD1      PHE  10  20.567   0.133  -1.885
   71    HE1  PHE  10           HE2      PHE  10  24.083  -0.841   1.445
   72    HE2  PHE  10           HE1      PHE  10  20.386   1.033   0.414
   73    HZ   PHE  10           HZ       PHE  10  22.178   0.558   2.060
   74    H    LYS  11           HN       LYS  11  24.449  -0.398  -4.294
   75    HA   LYS  11           HA       LYS  11  27.294  -0.734  -3.470
   76   1HB   LYS  11           HB2      LYS  11  26.212  -0.338  -5.881
   77   2HB   LYS  11           HB1      LYS  11  26.311   1.350  -5.383
   78   1HG   LYS  11           HG2      LYS  11  28.623   1.345  -5.321
   79   2HG   LYS  11           HG1      LYS  11  28.712  -0.380  -4.962
   80   1HD   LYS  11           HD2      LYS  11  27.455  -0.033  -7.519
   81   2HD   LYS  11           HD1      LYS  11  28.964   0.881  -7.498
   82   1HE   LYS  11           HE2      LYS  11  29.574  -1.328  -8.205
   83   2HE   LYS  11           HE1      LYS  11  30.029  -1.255  -6.491
   84   1HZ   LYS  11           HZ1      LYS  11  27.390  -2.200  -7.473
   85   2HZ   LYS  11           HZ3      LYS  11  28.672  -3.236  -7.071
   86   3HZ   LYS  11           HZ2      LYS  11  27.966  -2.255  -5.875
   87    H    ASP  12           HN       ASP  12  25.105   2.067  -3.992
   88    HA   ASP  12           HA       ASP  12  24.981   4.123  -2.826
   89   1HB   ASP  12           HB2      ASP  12  24.266   2.096  -1.221
   90   2HB   ASP  12           HB1      ASP  12  25.697   2.623  -0.338
   91    H    LYS  13           HN       LYS  13  26.345   5.492  -1.102
   92    HA   LYS  13           HA       LYS  13  28.442   6.607  -0.881
   93   1HB   LYS  13           HB2      LYS  13  29.151   3.697  -0.362
   94   2HB   LYS  13           HB1      LYS  13  30.047   5.096   0.231
   95   1HG   LYS  13           HG2      LYS  13  27.139   4.537   0.878
   96   2HG   LYS  13           HG1      LYS  13  28.488   4.131   1.940
   97   1HD   LYS  13           HD2      LYS  13  28.716   6.270   2.639
   98   2HD   LYS  13           HD1      LYS  13  28.590   6.901   0.996
   99   1HE   LYS  13           HE2      LYS  13  26.047   6.319   1.222
  100   2HE   LYS  13           HE1      LYS  13  26.383   6.325   2.965
  101   1HZ   LYS  13           HZ3      LYS  13  27.710   8.486   2.254
  102   2HZ   LYS  13           HZ2      LYS  13  26.519   8.519   1.042
  103   3HZ   LYS  13           HZ1      LYS  13  26.068   8.541   2.680
  104    H    CYS  14           HN       CYS  14  31.014   5.062  -1.397
  105    HA   CYS  14           HA       CYS  14  30.927   5.192  -4.389
  106   1HB   CYS  14           HB2      CYS  14  33.139   6.120  -4.263
  107   2HB   CYS  14           HB1      CYS  14  32.165   6.985  -3.075
  108    H    ASN  15           HN       ASN  15  30.914   2.944  -2.046
  109    HA   ASN  15           HA       ASN  15  32.794   1.169  -3.550
  110   1HB   ASN  15           HB2      ASN  15  32.530   1.810  -0.639
  111   2HB   ASN  15           HB1      ASN  15  33.029   0.173  -1.085
  112   1HD2  ASN  15          HD22      ASN  15  35.782   3.034  -1.215
  113   2HD2  ASN  15          HD21      ASN  15  34.354   3.104  -0.299
  114    H    THR  16           HN       THR  16  31.368  -0.415  -0.897
  115    HA   THR  16           HA       THR  16  28.966  -1.171  -2.520
  116    HB   THR  16           HB       THR  16  29.948  -3.555  -1.460
  117    HG1  THR  16           HG1      THR  16  32.087  -3.548  -2.325
  118   1HG2  THR  16          HG22      THR  16  29.798  -2.266  -4.158
  119   2HG2  THR  16          HG21      THR  16  30.619  -3.820  -4.001
  120   3HG2  THR  16          HG23      THR  16  28.923  -3.666  -3.539
  121    H    CYS  17           HN       CYS  17  27.226  -1.091  -1.200
  122    HA   CYS  17           HA       CYS  17  27.652  -1.505   1.714
  123   1HB   CYS  17           HB2      CYS  17  25.451  -0.064   0.255
  124   2HB   CYS  17           HB1      CYS  17  25.659  -0.143   2.003
  125    H    ARG  18           HN       ARG  18  25.514  -2.164   2.808
  126    HA   ARG  18           HA       ARG  18  24.045  -4.258   1.293
  127   1HB   ARG  18           HB2      ARG  18  25.922  -5.385   2.375
  128   2HB   ARG  18           HB1      ARG  18  25.575  -4.567   3.900
  129   1HG   ARG  18           HG2      ARG  18  23.347  -5.689   3.952
  130   2HG   ARG  18           HG1      ARG  18  23.791  -6.575   2.492
  131   1HD   ARG  18           HD2      ARG  18  25.961  -6.941   4.252
  132   2HD   ARG  18           HD1      ARG  18  24.503  -7.156   5.242
  133    HE   ARG  18           HE       ARG  18  23.996  -8.490   2.820
  134   1HH1  ARG  18          HH11      ARG  18  26.924  -8.583   4.470
  135   2HH1  ARG  18          HH12      ARG  18  26.913 -10.293   4.746
  136   1HH2  ARG  18          HH21      ARG  18  23.678 -10.728   3.579
  137   2HH2  ARG  18          HH22      ARG  18  25.075 -11.508   4.243
  138    H    CYS  19           HN       CYS  19  22.148  -2.949   1.452
  139    HA   CYS  19           HA       CYS  19  21.222  -1.363   3.512
  140   1HB   CYS  19           HB2      CYS  19  20.342  -2.086   1.176
  141   2HB   CYS  19           HB1      CYS  19  19.459  -3.332   2.065
  142    H    GLY  20           HN       GLY  20  20.596  -1.714   5.625
  143   1HA   GLY  20           HA2      GLY  20  20.713  -4.507   6.610
  144   2HA   GLY  20           HA1      GLY  20  20.721  -3.061   7.613
  145    H    ALA  21           HN       ALA  21  19.115  -5.138   8.346
  146    HA   ALA  21           HA       ALA  21  16.502  -5.402   7.432
  147   1HB   ALA  21           HB2      ALA  21  17.637  -6.537   9.371
  148   2HB   ALA  21           HB1      ALA  21  17.388  -5.069  10.316
  149   3HB   ALA  21           HB3      ALA  21  16.000  -5.995   9.743
  150    H    ASP  22           HN       ASP  22  17.977  -2.603   8.900
  151    HA   ASP  22           HA       ASP  22  15.385  -1.289   9.439
  152   1HB   ASP  22           HB2      ASP  22  18.302  -0.477   9.667
  153   2HB   ASP  22           HB1      ASP  22  16.960   0.563  10.147
  154    H    GLY  23           HN       GLY  23  14.521   0.326   8.098
  155   1HA   GLY  23           HA2      GLY  23  15.633   0.495   5.384
  156   2HA   GLY  23           HA1      GLY  23  14.124   1.227   5.933
  157    H    LYS  24           HN       LYS  24  17.443   1.584   7.216
  158    HA   LYS  24           HA       LYS  24  17.582   4.364   6.253
  159   1HB   LYS  24           HB2      LYS  24  17.224   3.581   9.156
  160   2HB   LYS  24           HB1      LYS  24  17.775   5.177   8.647
  161   1HG   LYS  24           HG2      LYS  24  15.688   5.348   7.231
  162   2HG   LYS  24           HG1      LYS  24  15.122   3.865   8.001
  163   1HD   LYS  24           HD2      LYS  24  15.831   5.307  10.192
  164   2HD   LYS  24           HD1      LYS  24  15.327   6.604   9.107
  165   1HE   LYS  24           HE2      LYS  24  13.151   5.551   8.773
  166   2HE   LYS  24           HE1      LYS  24  13.653   4.144   9.732
  167   1HZ   LYS  24           HZ2      LYS  24  14.012   6.793  10.916
  168   2HZ   LYS  24           HZ1      LYS  24  12.424   6.192  10.832
  169   3HZ   LYS  24           HZ3      LYS  24  13.617   5.318  11.661
  170    H    SER  25           HN       SER  25  19.203   1.653   6.398
  171    HA   SER  25           HA       SER  25  21.728   3.038   6.553
  172   1HB   SER  25           HB2      SER  25  22.445   1.491   8.554
  173   2HB   SER  25           HB1      SER  25  21.522   2.953   8.889
  174    HG   SER  25           HG       SER  25  20.779   0.862   9.831
  175    H    ALA  26           HN       ALA  26  23.554   1.152   6.715
  176    HA   ALA  26           HA       ALA  26  22.871  -1.459   5.695
  177   1HB   ALA  26           HB3      ALA  26  22.336   0.408   3.885
  178   2HB   ALA  26           HB2      ALA  26  24.071   0.304   3.590
  179   3HB   ALA  26           HB1      ALA  26  23.058  -1.120   3.399
  180    H    ALA  27           HN       ALA  27  24.716  -2.722   6.101
  181    HA   ALA  27           HA       ALA  27  27.174  -1.439   6.987
  182   1HB   ALA  27           HB2      ALA  27  26.049  -4.120   6.706
  183   2HB   ALA  27           HB1      ALA  27  27.770  -4.068   6.321
  184   3HB   ALA  27           HB3      ALA  27  27.202  -3.509   7.894
  185    H    CYS  28           HN       CYS  28  28.914  -0.876   5.717
  186    HA   CYS  28           HA       CYS  28  28.795  -1.737   2.866
  187   1HB   CYS  28           HB2      CYS  28  28.175   0.668   3.679
  188   2HB   CYS  28           HB1      CYS  28  29.910   0.890   3.757
  189    H    THR  29           HN       THR  29  30.989  -0.970   1.792
  190    HA   THR  29           HA       THR  29  33.312  -1.649   3.508
  191    HB   THR  29           HB       THR  29  32.055  -3.631   2.195
  192    HG1  THR  29           HG1      THR  29  34.867  -3.275   2.212
  193   1HG2  THR  29          HG21      THR  29  32.488  -2.210   0.031
  194   2HG2  THR  29          HG23      THR  29  34.114  -2.883   0.141
  195   3HG2  THR  29          HG22      THR  29  32.725  -3.958  -0.017
  196    H    LEU  30           HN       LEU  30  35.342  -1.278   2.217
  197    HA   LEU  30           HA       LEU  30  34.948   1.140   0.526
  198   1HB   LEU  30           HB2      LEU  30  37.175   0.126   2.302
  199   2HB   LEU  30           HB1      LEU  30  37.311   1.581   1.314
  200    HG   LEU  30           HG       LEU  30  36.607   2.283   3.507
  201   1HD1  LEU  30          HD13      LEU  30  35.444   3.265   1.477
  202   2HD1  LEU  30          HD12      LEU  30  34.097   2.180   1.825
  203   3HD1  LEU  30          HD11      LEU  30  34.557   3.418   2.993
  204   1HD2  LEU  30          HD23      LEU  30  35.543  -0.188   3.802
  205   2HD2  LEU  30          HD22      LEU  30  35.122   1.171   4.843
  206   3HD2  LEU  30          HD21      LEU  30  34.076   0.739   3.490
  207    H    LYS  31           HN       LYS  31  36.751   1.521  -1.023
  208    HA   LYS  31           HA       LYS  31  38.526  -0.237  -2.208
  209   1HB   LYS  31           HB2      LYS  31  35.738  -1.067  -2.476
  210   2HB   LYS  31           HB1      LYS  31  36.480  -0.818  -4.056
  211   1HG   LYS  31           HG2      LYS  31  38.172  -2.259  -2.108
  212   2HG   LYS  31           HG1      LYS  31  36.718  -3.122  -2.611
  213   1HD   LYS  31           HD2      LYS  31  38.145  -1.811  -4.826
  214   2HD   LYS  31           HD1      LYS  31  39.078  -3.076  -4.026
  215   1HE   LYS  31           HE2      LYS  31  37.364  -4.718  -4.433
  216   2HE   LYS  31           HE1      LYS  31  36.219  -3.473  -4.968
  217   1HZ   LYS  31           HZ1      LYS  31  37.932  -2.861  -6.680
  218   2HZ   LYS  31           HZ3      LYS  31  38.750  -4.291  -6.280
  219   3HZ   LYS  31           HZ2      LYS  31  37.178  -4.365  -6.921
  220    H    ALA  32           HN       ALA  32  38.325   0.215  -4.878
  221    HA   ALA  32           HA       ALA  32  38.904   2.890  -5.349
  222   1HB   ALA  32           HB3      ALA  32  38.719   0.656  -6.841
  223   2HB   ALA  32           HB2      ALA  32  37.253   1.470  -7.387
  224   3HB   ALA  32           HB1      ALA  32  38.818   2.260  -7.568
  225    H    CYS  33           HN       CYS  33  37.633   4.724  -6.023
  226    HA   CYS  33           HA       CYS  33  34.672   4.470  -5.717
  227   1HB   CYS  33           HB2      CYS  33  36.596   6.284  -4.246
  228   2HB   CYS  33           HB1      CYS  33  34.871   6.640  -4.343
  229    HA   PRO  34           HA       PRO  34  35.690   6.799  -9.515
  230   1HB   PRO  34           HB2      PRO  34  33.297   6.176 -10.723
  231   2HB   PRO  34           HB1      PRO  34  34.726   5.122 -10.775
  232   1HG   PRO  34           HG2      PRO  34  32.345   4.985  -8.975
  233   2HG   PRO  34           HG1      PRO  34  33.185   3.678  -9.829
  234   1HD   PRO  34           HD2      PRO  34  33.603   4.133  -7.221
  235   2HD   PRO  34           HD1      PRO  34  34.924   3.612  -8.291
  236    H    ASN  35           HN       ASN  35  35.291   8.977  -9.575
  237    HA   ASN  35           HA       ASN  35  32.933  10.029  -8.084
  238   1HB   ASN  35           HB2      ASN  35  35.506  11.241  -9.140
  239   2HB   ASN  35           HB1      ASN  35  34.263  12.167  -8.297
  240   1HD2  ASN  35          HD22      ASN  35  36.833   9.876  -6.168
  241   2HD2  ASN  35          HD21      ASN  35  36.958  10.023  -7.854
  242    H    GLN  36           HN       GLN  36  34.406   9.964 -11.298
  243    HA   GLN  36           HA       GLN  36  33.644  10.865 -13.360
  244   1HB   GLN  36           HB2      GLN  36  32.188   8.906 -12.813
  245   2HB   GLN  36           HB1      GLN  36  31.045  10.007 -12.043
  246   1HG   GLN  36           HG2      GLN  36  31.831  10.821 -14.760
  247   2HG   GLN  36           HG1      GLN  36  30.971   9.281 -14.696
  248   1HE2  GLN  36          HE22      GLN  36  28.988  12.743 -13.856
  249   2HE2  GLN  36          HE21      GLN  36  30.664  12.752 -14.127
   
  No H/Q in entry =         249
  Start of MODEL   32
    1   1H    GLU   1           HT2      GLU   1  21.797  10.814   6.489
    2   2H    GLU   1           HT1      GLU   1  20.266  11.472   6.827
    3   3H    GLU   1           HT3      GLU   1  21.455  11.425   8.037
    4    HA   GLU   1           HA       GLU   1  21.123   9.235   8.502
    5   1HB   GLU   1           HB2      GLU   1  18.956  10.793   8.347
    6   2HB   GLU   1           HB1      GLU   1  18.491   9.605   7.130
    7   1HG   GLU   1           HG2      GLU   1  17.633   8.749   9.175
    8   2HG   GLU   1           HG1      GLU   1  19.102   7.820   8.874
    9    H    ILE   2           HN       ILE   2  19.050   7.631   7.012
   10    HA   ILE   2           HA       ILE   2  20.203   7.117   4.355
   11    HB   ILE   2           HB       ILE   2  20.726   5.426   6.785
   12   1HG1  ILE   2          HG12      ILE   2  22.345   6.745   4.623
   13   2HG1  ILE   2          HG11      ILE   2  22.578   6.803   6.369
   14   1HG2  ILE   2          HG21      ILE   2  20.820   4.494   3.913
   15   2HG2  ILE   2          HG23      ILE   2  21.465   3.599   5.284
   16   3HG2  ILE   2          HG22      ILE   2  19.734   3.901   5.171
   17   1HD1  ILE   2          HD13      ILE   2  23.291   4.432   6.350
   18   2HD1  ILE   2          HD12      ILE   2  23.068   4.383   4.601
   19   3HD1  ILE   2          HD11      ILE   2  24.316   5.413   5.302
   20    H    SER   3           HN       SER   3  19.178   5.100   3.444
   21    HA   SER   3           HA       SER   3  16.933   3.830   4.623
   22   1HB   SER   3           HB2      SER   3  16.495   6.374   3.091
   23   2HB   SER   3           HB1      SER   3  15.292   5.096   2.945
   24    HG   SER   3           HG       SER   3  14.600   6.035   4.724
   25    H    CYS   4           HN       CYS   4  16.069   2.217   3.171
   26    HA   CYS   4           HA       CYS   4  16.386   2.107   0.368
   27   1HB   CYS   4           HB2      CYS   4  18.462   0.537   0.407
   28   2HB   CYS   4           HB1      CYS   4  18.724   2.270   0.546
   29    H    GLU   5           HN       GLU   5  16.352  -0.213  -0.461
   30    HA   GLU   5           HA       GLU   5  14.302  -1.759   0.596
   31   1HB   GLU   5           HB2      GLU   5  16.473  -2.013  -1.290
   32   2HB   GLU   5           HB1      GLU   5  16.270  -3.538  -0.428
   33   1HG   GLU   5           HG2      GLU   5  13.963  -3.690  -1.058
   34   2HG   GLU   5           HG1      GLU   5  13.952  -2.032  -1.660
   35    HA   PRO   6           HA       PRO   6  16.463  -2.644   4.480
   36   1HB   PRO   6           HB2      PRO   6  14.200  -3.571   5.744
   37   2HB   PRO   6           HB1      PRO   6  14.631  -1.854   5.634
   38   1HG   PRO   6           HG2      PRO   6  12.734  -3.439   3.961
   39   2HG   PRO   6           HG1      PRO   6  12.548  -1.813   4.643
   40   1HD   PRO   6           HD2      PRO   6  13.197  -2.185   2.064
   41   2HD   PRO   6           HD1      PRO   6  13.860  -0.830   3.008
   42    H    GLY   7           HN       GLY   7  17.614  -4.502   4.625
   43   1HA   GLY   7           HA2      GLY   7  17.753  -6.884   5.057
   44   2HA   GLY   7           HA1      GLY   7  16.209  -7.092   4.229
   45    H    LYS   8           HN       LYS   8  17.601  -5.025   2.233
   46    HA   LYS   8           HA       LYS   8  18.789  -7.206   0.575
   47   1HB   LYS   8           HB2      LYS   8  17.919  -4.450  -0.302
   48   2HB   LYS   8           HB1      LYS   8  18.100  -5.899  -1.291
   49   1HG   LYS   8           HG2      LYS   8  16.306  -6.808   0.522
   50   2HG   LYS   8           HG1      LYS   8  15.865  -5.101   0.496
   51   1HD   LYS   8           HD2      LYS   8  14.747  -5.462  -1.421
   52   2HD   LYS   8           HD1      LYS   8  16.280  -5.857  -2.201
   53   1HE   LYS   8           HE2      LYS   8  15.971  -8.155  -1.950
   54   2HE   LYS   8           HE1      LYS   8  14.918  -7.960  -0.535
   55   1HZ   LYS   8           HZ3      LYS   8  13.295  -6.856  -2.023
   56   2HZ   LYS   8           HZ2      LYS   8  14.271  -7.266  -3.351
   57   3HZ   LYS   8           HZ1      LYS   8  13.552  -8.486  -2.413
   58    H    THR   9           HN       THR   9  20.536  -6.339  -0.968
   59    HA   THR   9           HA       THR   9  22.410  -4.587   0.575
   60    HB   THR   9           HB       THR   9  23.238  -6.641  -1.445
   61    HG1  THR   9           HG1      THR   9  23.329  -7.959   0.662
   62   1HG2  THR   9          HG23      THR   9  24.648  -4.913   0.083
   63   2HG2  THR   9          HG22      THR   9  24.583  -6.296   1.172
   64   3HG2  THR   9          HG21      THR   9  25.281  -6.473  -0.438
   65    H    PHE  10           HN       PHE  10  23.818  -3.220  -0.739
   66    HA   PHE  10           HA       PHE  10  23.270  -3.011  -3.623
   67   1HB   PHE  10           HB2      PHE  10  22.602  -0.579  -3.344
   68   2HB   PHE  10           HB1      PHE  10  21.414  -1.753  -2.800
   69    HD1  PHE  10           HD2      PHE  10  24.190  -1.662  -0.531
   70    HD2  PHE  10           HD1      PHE  10  20.603   0.432  -1.615
   71    HE1  PHE  10           HE2      PHE  10  24.117  -0.627   1.699
   72    HE2  PHE  10           HE1      PHE  10  20.571   1.500   0.616
   73    HZ   PHE  10           HZ       PHE  10  22.350   0.977   2.262
   74    H    LYS  11           HN       LYS  11  24.326  -0.506  -4.068
   75    HA   LYS  11           HA       LYS  11  27.165  -0.921  -3.229
   76   1HB   LYS  11           HB2      LYS  11  26.098  -0.729  -5.672
   77   2HB   LYS  11           HB1      LYS  11  26.281   0.997  -5.355
   78   1HG   LYS  11           HG2      LYS  11  28.590   0.884  -5.291
   79   2HG   LYS  11           HG1      LYS  11  28.596  -0.793  -4.744
   80   1HD   LYS  11           HD2      LYS  11  28.655  -1.589  -6.858
   81   2HD   LYS  11           HD1      LYS  11  27.380  -0.489  -7.386
   82   1HE   LYS  11           HE2      LYS  11  29.718   1.082  -6.878
   83   2HE   LYS  11           HE1      LYS  11  30.183  -0.285  -7.910
   84   1HZ   LYS  11           HZ2      LYS  11  27.701   1.248  -8.393
   85   2HZ   LYS  11           HZ1      LYS  11  29.184   1.743  -9.059
   86   3HZ   LYS  11           HZ3      LYS  11  28.538   0.227  -9.462
   87    H    ASP  12           HN       ASP  12  25.043   1.874  -4.001
   88    HA   ASP  12           HA       ASP  12  24.985   4.040  -3.053
   89   1HB   ASP  12           HB2      ASP  12  24.326   2.205  -1.213
   90   2HB   ASP  12           HB1      ASP  12  25.801   2.803  -0.455
   91    H    LYS  13           HN       LYS  13  26.416   5.589  -1.598
   92    HA   LYS  13           HA       LYS  13  28.520   6.704  -1.578
   93   1HB   LYS  13           HB2      LYS  13  29.436   3.929  -0.783
   94   2HB   LYS  13           HB1      LYS  13  30.047   5.477  -0.198
   95   1HG   LYS  13           HG2      LYS  13  27.632   5.877   0.652
   96   2HG   LYS  13           HG1      LYS  13  27.417   4.140   0.428
   97   1HD   LYS  13           HD2      LYS  13  29.463   3.778   1.852
   98   2HD   LYS  13           HD1      LYS  13  29.467   5.509   2.191
   99   1HE   LYS  13           HE2      LYS  13  26.828   4.758   2.697
  100   2HE   LYS  13           HE1      LYS  13  27.788   3.417   3.351
  101   1HZ   LYS  13           HZ2      LYS  13  29.282   5.198   4.304
  102   2HZ   LYS  13           HZ1      LYS  13  28.045   6.307   3.951
  103   3HZ   LYS  13           HZ3      LYS  13  27.760   5.037   5.038
  104    H    CYS  14           HN       CYS  14  31.040   4.970  -1.945
  105    HA   CYS  14           HA       CYS  14  30.918   4.826  -4.938
  106   1HB   CYS  14           HB2      CYS  14  33.187   5.656  -4.915
  107   2HB   CYS  14           HB1      CYS  14  32.240   6.692  -3.848
  108    H    ASN  15           HN       ASN  15  31.022   2.868  -2.272
  109    HA   ASN  15           HA       ASN  15  32.787   0.895  -3.667
  110   1HB   ASN  15           HB2      ASN  15  32.498   1.748  -0.805
  111   2HB   ASN  15           HB1      ASN  15  33.056   0.108  -1.162
  112   1HD2  ASN  15          HD22      ASN  15  35.665   3.115  -1.509
  113   2HD2  ASN  15          HD21      ASN  15  34.201   3.224  -0.656
  114    H    THR  16           HN       THR  16  31.367  -0.443  -0.897
  115    HA   THR  16           HA       THR  16  28.926  -1.271  -2.429
  116    HB   THR  16           HB       THR  16  29.919  -3.582  -1.203
  117    HG1  THR  16           HG1      THR  16  31.939  -2.583  -2.857
  118   1HG2  THR  16          HG22      THR  16  29.940  -2.602  -4.065
  119   2HG2  THR  16          HG21      THR  16  30.255  -4.274  -3.599
  120   3HG2  THR  16          HG23      THR  16  28.680  -3.550  -3.277
  121    H    CYS  17           HN       CYS  17  27.207  -1.072  -1.106
  122    HA   CYS  17           HA       CYS  17  27.617  -1.380   1.834
  123   1HB   CYS  17           HB2      CYS  17  25.447   0.088   0.364
  124   2HB   CYS  17           HB1      CYS  17  25.761   0.123   2.098
  125    H    ARG  18           HN       ARG  18  25.466  -1.933   2.949
  126    HA   ARG  18           HA       ARG  18  23.847  -3.915   1.439
  127   1HB   ARG  18           HB2      ARG  18  25.577  -5.251   2.432
  128   2HB   ARG  18           HB1      ARG  18  25.496  -4.345   3.944
  129   1HG   ARG  18           HG2      ARG  18  23.169  -5.185   4.278
  130   2HG   ARG  18           HG1      ARG  18  23.347  -6.167   2.823
  131   1HD   ARG  18           HD2      ARG  18  25.406  -7.209   3.925
  132   2HD   ARG  18           HD1      ARG  18  24.881  -6.419   5.425
  133    HE   ARG  18           HE       ARG  18  22.776  -7.930   4.040
  134   1HH1  ARG  18          HH11      ARG  18  25.601  -8.519   5.831
  135   2HH1  ARG  18          HH12      ARG  18  24.845  -9.573   6.977
  136   1HH2  ARG  18          HH21      ARG  18  21.641  -9.026   5.763
  137   2HH2  ARG  18          HH22      ARG  18  22.601  -9.860   6.939
  138    H    CYS  19           HN       CYS  19  21.871  -2.779   1.696
  139    HA   CYS  19           HA       CYS  19  21.205  -1.111   3.890
  140   1HB   CYS  19           HB2      CYS  19  20.136  -1.391   1.586
  141   2HB   CYS  19           HB1      CYS  19  19.260  -2.772   2.271
  142    H    GLY  20           HN       GLY  20  20.934  -1.637   5.980
  143   1HA   GLY  20           HA2      GLY  20  20.898  -4.324   6.949
  144   2HA   GLY  20           HA1      GLY  20  20.523  -2.898   7.912
  145    H    ALA  21           HN       ALA  21  19.119  -5.180   8.414
  146    HA   ALA  21           HA       ALA  21  16.776  -5.806   7.053
  147   1HB   ALA  21           HB3      ALA  21  17.717  -5.717   9.865
  148   2HB   ALA  21           HB2      ALA  21  15.970  -5.829   9.656
  149   3HB   ALA  21           HB1      ALA  21  17.023  -7.060   8.958
  150    H    ASP  22           HN       ASP  22  17.565  -2.838   8.711
  151    HA   ASP  22           HA       ASP  22  14.750  -1.888   8.602
  152   1HB   ASP  22           HB2      ASP  22  15.585  -0.108  10.007
  153   2HB   ASP  22           HB1      ASP  22  16.311  -1.605  10.593
  154    H    GLY  23           HN       GLY  23  14.164  -0.096   7.272
  155   1HA   GLY  23           HA2      GLY  23  15.885   0.291   4.922
  156   2HA   GLY  23           HA1      GLY  23  14.257   0.935   5.132
  157    H    LYS  24           HN       LYS  24  17.331   1.302   6.957
  158    HA   LYS  24           HA       LYS  24  17.370   4.181   6.352
  159   1HB   LYS  24           HB2      LYS  24  16.438   2.977   8.925
  160   2HB   LYS  24           HB1      LYS  24  17.385   4.463   9.006
  161   1HG   LYS  24           HG2      LYS  24  15.516   5.616   8.516
  162   2HG   LYS  24           HG1      LYS  24  15.515   4.853   6.926
  163   1HD   LYS  24           HD2      LYS  24  14.408   2.839   8.186
  164   2HD   LYS  24           HD1      LYS  24  14.018   4.052   9.406
  165   1HE   LYS  24           HE2      LYS  24  13.436   4.926   6.650
  166   2HE   LYS  24           HE1      LYS  24  12.464   3.545   7.194
  167   1HZ   LYS  24           HZ3      LYS  24  12.910   6.016   8.783
  168   2HZ   LYS  24           HZ2      LYS  24  11.514   5.712   7.864
  169   3HZ   LYS  24           HZ1      LYS  24  11.894   4.720   9.190
  170    H    SER  25           HN       SER  25  19.118   1.533   6.489
  171    HA   SER  25           HA       SER  25  21.538   3.024   7.029
  172   1HB   SER  25           HB2      SER  25  22.091   1.226   8.908
  173   2HB   SER  25           HB1      SER  25  21.170   2.674   9.305
  174    HG   SER  25           HG       SER  25  19.982   0.240   8.466
  175    H    ALA  26           HN       ALA  26  23.462   1.283   7.043
  176    HA   ALA  26           HA       ALA  26  22.995  -1.279   5.822
  177   1HB   ALA  26           HB3      ALA  26  22.245   0.403   4.057
  178   2HB   ALA  26           HB2      ALA  26  23.933   0.896   3.941
  179   3HB   ALA  26           HB1      ALA  26  23.468  -0.749   3.527
  180    H    ALA  27           HN       ALA  27  24.888  -2.441   6.141
  181    HA   ALA  27           HA       ALA  27  27.297  -1.019   7.035
  182   1HB   ALA  27           HB1      ALA  27  26.208  -3.542   7.367
  183   2HB   ALA  27           HB3      ALA  27  27.548  -3.837   6.257
  184   3HB   ALA  27           HB2      ALA  27  27.848  -3.077   7.821
  185    H    CYS  28           HN       CYS  28  29.082  -0.585   5.722
  186    HA   CYS  28           HA       CYS  28  28.865  -1.535   2.905
  187   1HB   CYS  28           HB2      CYS  28  28.236   0.890   3.603
  188   2HB   CYS  28           HB1      CYS  28  29.968   1.138   3.683
  189    H    THR  29           HN       THR  29  31.020  -0.847   1.745
  190    HA   THR  29           HA       THR  29  33.373  -1.497   3.437
  191    HB   THR  29           HB       THR  29  32.073  -3.440   2.073
  192    HG1  THR  29           HG1      THR  29  33.852  -4.547   2.450
  193   1HG2  THR  29          HG23      THR  29  32.632  -1.972  -0.049
  194   2HG2  THR  29          HG22      THR  29  34.210  -2.748   0.090
  195   3HG2  THR  29          HG21      THR  29  32.760  -3.730  -0.126
  196    H    LEU  30           HN       LEU  30  35.383  -1.039   2.180
  197    HA   LEU  30           HA       LEU  30  34.934   1.320   0.409
  198   1HB   LEU  30           HB2      LEU  30  37.180   0.528   2.283
  199   2HB   LEU  30           HB1      LEU  30  37.162   2.002   1.312
  200    HG   LEU  30           HG       LEU  30  36.340   2.643   3.459
  201   1HD1  LEU  30          HD13      LEU  30  34.980   3.308   1.382
  202   2HD1  LEU  30          HD12      LEU  30  33.808   2.102   1.912
  203   3HD1  LEU  30          HD11      LEU  30  34.182   3.481   2.945
  204   1HD2  LEU  30          HD23      LEU  30  35.665   0.018   3.782
  205   2HD2  LEU  30          HD22      LEU  30  35.135   1.311   4.857
  206   3HD2  LEU  30          HD21      LEU  30  34.075   0.751   3.563
  207    H    LYS  31           HN       LYS  31  36.744   1.726  -1.113
  208    HA   LYS  31           HA       LYS  31  38.698   0.002  -2.067
  209   1HB   LYS  31           HB2      LYS  31  35.960  -0.965  -2.461
  210   2HB   LYS  31           HB1      LYS  31  36.840  -0.838  -3.985
  211   1HG   LYS  31           HG2      LYS  31  38.680  -1.948  -2.180
  212   2HG   LYS  31           HG1      LYS  31  37.158  -2.776  -1.847
  213   1HD   LYS  31           HD2      LYS  31  37.061  -2.852  -4.521
  214   2HD   LYS  31           HD1      LYS  31  38.813  -2.775  -4.330
  215   1HE   LYS  31           HE2      LYS  31  38.864  -4.963  -3.755
  216   2HE   LYS  31           HE1      LYS  31  37.727  -4.658  -2.427
  217   1HZ   LYS  31           HZ1      LYS  31  36.850  -4.789  -5.252
  218   2HZ   LYS  31           HZ3      LYS  31  36.919  -6.175  -4.276
  219   3HZ   LYS  31           HZ2      LYS  31  35.896  -4.887  -3.850
  220    H    ALA  32           HN       ALA  32  38.690   0.261  -4.738
  221    HA   ALA  32           HA       ALA  32  39.171   2.903  -5.396
  222   1HB   ALA  32           HB2      ALA  32  37.936   0.672  -7.038
  223   2HB   ALA  32           HB1      ALA  32  38.573   2.159  -7.743
  224   3HB   ALA  32           HB3      ALA  32  39.651   1.057  -6.886
  225    H    CYS  33           HN       CYS  33  37.904   4.612  -6.326
  226    HA   CYS  33           HA       CYS  33  34.941   4.295  -6.290
  227   1HB   CYS  33           HB2      CYS  33  36.602   6.289  -4.718
  228   2HB   CYS  33           HB1      CYS  33  34.858   6.439  -4.935
  229    HA   PRO  34           HA       PRO  34  36.017   6.504 -10.069
  230   1HB   PRO  34           HB2      PRO  34  33.466   6.395 -11.097
  231   2HB   PRO  34           HB1      PRO  34  34.629   5.058 -11.213
  232   1HG   PRO  34           HG2      PRO  34  32.414   5.467  -9.247
  233   2HG   PRO  34           HG1      PRO  34  32.880   3.998 -10.125
  234   1HD   PRO  34           HD2      PRO  34  33.587   4.361  -7.571
  235   2HD   PRO  34           HD1      PRO  34  34.690   3.576  -8.728
  236    H    ASN  35           HN       ASN  35  35.702   8.687 -10.666
  237    HA   ASN  35           HA       ASN  35  34.179  10.327  -8.700
  238   1HB   ASN  35           HB2      ASN  35  35.628  12.105  -9.471
  239   2HB   ASN  35           HB1      ASN  35  36.628  10.670  -9.247
  240   1HD2  ASN  35          HD22      ASN  35  36.228  12.273 -12.950
  241   2HD2  ASN  35          HD21      ASN  35  35.470  12.967 -11.599
  242    H    GLN  36           HN       GLN  36  34.443   9.714 -12.195
  243    HA   GLN  36           HA       GLN  36  33.067  10.453 -13.984
  244   1HB   GLN  36           HB2      GLN  36  31.442   9.515 -11.677
  245   2HB   GLN  36           HB1      GLN  36  30.560  10.357 -12.951
  246   1HG   GLN  36           HG2      GLN  36  32.453   8.040 -13.442
  247   2HG   GLN  36           HG1      GLN  36  30.701   7.877 -13.312
  248   1HE2  GLN  36          HE22      GLN  36  31.410   8.257 -16.928
  249   2HE2  GLN  36          HE21      GLN  36  31.705   7.092 -15.728
   
  No H/Q in entry =         249
  Start of MODEL   33
    1   1H    GLU   1           HT1      GLU   1  19.023  11.360   6.137
    2   2H    GLU   1           HT3      GLU   1  17.925  10.481   7.085
    3   3H    GLU   1           HT2      GLU   1  18.874  11.698   7.796
    4    HA   GLU   1           HA       GLU   1  20.860  10.434   7.552
    5   1HB   GLU   1           HB2      GLU   1  18.792   9.899   9.205
    6   2HB   GLU   1           HB1      GLU   1  18.919   8.337   8.395
    7   1HG   GLU   1           HG2      GLU   1  21.479   8.580   8.881
    8   2HG   GLU   1           HG1      GLU   1  20.960   9.754  10.090
    9    H    ILE   2           HN       ILE   2  20.343   7.427   7.475
   10    HA   ILE   2           HA       ILE   2  20.818   7.100   4.569
   11    HB   ILE   2           HB       ILE   2  21.063   5.426   7.053
   12   1HG1  ILE   2          HG12      ILE   2  22.915   6.645   5.023
   13   2HG1  ILE   2          HG11      ILE   2  22.992   6.735   6.781
   14   1HG2  ILE   2          HG21      ILE   2  21.368   4.455   4.208
   15   2HG2  ILE   2          HG23      ILE   2  21.857   3.553   5.638
   16   3HG2  ILE   2          HG22      ILE   2  20.155   3.918   5.372
   17   1HD1  ILE   2          HD12      ILE   2  23.533   4.250   5.123
   18   2HD1  ILE   2          HD11      ILE   2  24.762   5.255   5.889
   19   3HD1  ILE   2          HD13      ILE   2  23.621   4.348   6.881
   20    H    SER   3           HN       SER   3  19.791   5.113   3.593
   21    HA   SER   3           HA       SER   3  17.396   3.967   4.599
   22   1HB   SER   3           HB2      SER   3  15.954   5.283   2.792
   23   2HB   SER   3           HB1      SER   3  16.254   5.995   4.376
   24    HG   SER   3           HG       SER   3  17.032   6.836   1.934
   25    H    CYS   4           HN       CYS   4  16.558   2.384   3.098
   26    HA   CYS   4           HA       CYS   4  17.175   2.197   0.331
   27   1HB   CYS   4           HB2      CYS   4  19.074   0.463   0.630
   28   2HB   CYS   4           HB1      CYS   4  19.487   2.157   0.877
   29    H    GLU   5           HN       GLU   5  17.267  -0.338  -0.287
   30    HA   GLU   5           HA       GLU   5  14.834  -1.523   0.708
   31   1HB   GLU   5           HB2      GLU   5  16.565  -1.803  -1.445
   32   2HB   GLU   5           HB1      GLU   5  16.791  -3.311  -0.557
   33   1HG   GLU   5           HG2      GLU   5  14.415  -3.774  -0.614
   34   2HG   GLU   5           HG1      GLU   5  14.080  -2.190  -1.315
   35    HA   PRO   6           HA       PRO   6  16.907  -2.950   4.435
   36   1HB   PRO   6           HB2      PRO   6  14.616  -3.942   5.580
   37   2HB   PRO   6           HB1      PRO   6  15.089  -2.232   5.646
   38   1HG   PRO   6           HG2      PRO   6  13.169  -3.598   3.812
   39   2HG   PRO   6           HG1      PRO   6  13.018  -2.039   4.646
   40   1HD   PRO   6           HD2      PRO   6  13.683  -2.182   2.048
   41   2HD   PRO   6           HD1      PRO   6  14.366  -0.940   3.123
   42    H    GLY   7           HN       GLY   7  18.016  -4.857   4.422
   43   1HA   GLY   7           HA2      GLY   7  17.973  -7.284   4.714
   44   2HA   GLY   7           HA1      GLY   7  16.523  -7.337   3.716
   45    H    LYS   8           HN       LYS   8  17.887  -5.372   1.788
   46    HA   LYS   8           HA       LYS   8  19.433  -7.494   0.362
   47   1HB   LYS   8           HB2      LYS   8  18.066  -4.961  -0.581
   48   2HB   LYS   8           HB1      LYS   8  18.880  -6.121  -1.632
   49   1HG   LYS   8           HG2      LYS   8  16.913  -7.218  -1.761
   50   2HG   LYS   8           HG1      LYS   8  17.171  -7.692  -0.082
   51   1HD   LYS   8           HD2      LYS   8  16.195  -5.015  -0.073
   52   2HD   LYS   8           HD1      LYS   8  15.155  -5.956  -1.142
   53   1HE   LYS   8           HE2      LYS   8  14.847  -7.650   0.640
   54   2HE   LYS   8           HE1      LYS   8  15.875  -6.686   1.721
   55   1HZ   LYS   8           HZ3      LYS   8  14.382  -4.804   1.386
   56   2HZ   LYS   8           HZ2      LYS   8  13.381  -5.754   0.396
   57   3HZ   LYS   8           HZ1      LYS   8  13.547  -6.124   2.046
   58    H    THR   9           HN       THR   9  21.086  -6.469  -1.215
   59    HA   THR   9           HA       THR   9  22.847  -4.645   0.363
   60    HB   THR   9           HB       THR   9  23.618  -6.303  -2.037
   61    HG1  THR   9           HG1      THR   9  23.447  -8.061  -0.914
   62   1HG2  THR   9          HG21      THR   9  25.053  -5.334   0.448
   63   2HG2  THR   9          HG23      THR   9  25.771  -6.407  -0.753
   64   3HG2  THR   9          HG22      THR   9  25.299  -4.769  -1.205
   65    H    PHE  10           HN       PHE  10  24.256  -3.205  -1.162
   66    HA   PHE  10           HA       PHE  10  23.182  -2.521  -3.748
   67   1HB   PHE  10           HB2      PHE  10  22.216  -0.335  -3.075
   68   2HB   PHE  10           HB1      PHE  10  21.346  -1.694  -2.393
   69    HD1  PHE  10           HD2      PHE  10  23.278  -2.304  -0.009
   70    HD2  PHE  10           HD1      PHE  10  21.650   1.357  -1.567
   71    HE1  PHE  10           HE2      PHE  10  23.495  -1.274   2.194
   72    HE2  PHE  10           HE1      PHE  10  21.842   2.374   0.676
   73    HZ   PHE  10           HZ       PHE  10  22.782   1.072   2.560
   74    H    LYS  11           HN       LYS  11  23.988   0.108  -3.931
   75    HA   LYS  11           HA       LYS  11  26.925  -0.179  -3.386
   76   1HB   LYS  11           HB2      LYS  11  25.731   0.073  -5.732
   77   2HB   LYS  11           HB1      LYS  11  25.687   1.783  -5.303
   78   1HG   LYS  11           HG2      LYS  11  28.063   1.902  -5.124
   79   2HG   LYS  11           HG1      LYS  11  28.224   0.145  -5.150
   80   1HD   LYS  11           HD2      LYS  11  28.815   0.878  -7.345
   81   2HD   LYS  11           HD1      LYS  11  27.182   0.223  -7.482
   82   1HE   LYS  11           HE2      LYS  11  26.732   2.227  -8.506
   83   2HE   LYS  11           HE1      LYS  11  26.664   2.850  -6.846
   84   1HZ   LYS  11           HZ3      LYS  11  29.253   2.876  -7.153
   85   2HZ   LYS  11           HZ2      LYS  11  28.848   3.001  -8.798
   86   3HZ   LYS  11           HZ1      LYS  11  28.305   4.173  -7.695
   87    H    ASP  12           HN       ASP  12  24.438   2.402  -3.651
   88    HA   ASP  12           HA       ASP  12  24.189   4.407  -2.436
   89   1HB   ASP  12           HB2      ASP  12  24.044   2.696  -0.635
   90   2HB   ASP  12           HB1      ASP  12  25.794   2.785  -0.430
   91    H    LYS  13           HN       LYS  13  27.111   4.061  -0.618
   92    HA   LYS  13           HA       LYS  13  28.288   6.442  -1.551
   93   1HB   LYS  13           HB2      LYS  13  29.716   4.004  -0.457
   94   2HB   LYS  13           HB1      LYS  13  30.196   5.692  -0.275
   95   1HG   LYS  13           HG2      LYS  13  27.566   5.594   0.687
   96   2HG   LYS  13           HG1      LYS  13  28.330   4.136   1.320
   97   1HD   LYS  13           HD2      LYS  13  29.550   5.330   2.788
   98   2HD   LYS  13           HD1      LYS  13  30.128   6.402   1.512
   99   1HE   LYS  13           HE2      LYS  13  28.154   7.801   1.697
  100   2HE   LYS  13           HE1      LYS  13  27.401   6.658   2.829
  101   1HZ   LYS  13           HZ3      LYS  13  29.435   6.948   4.238
  102   2HZ   LYS  13           HZ2      LYS  13  29.874   8.248   3.236
  103   3HZ   LYS  13           HZ1      LYS  13  28.438   8.316   4.143
  104    H    CYS  14           HN       CYS  14  30.977   5.653  -2.199
  105    HA   CYS  14           HA       CYS  14  30.583   4.956  -5.047
  106   1HB   CYS  14           HB2      CYS  14  32.954   5.650  -5.206
  107   2HB   CYS  14           HB1      CYS  14  31.991   6.866  -4.366
  108    H    ASN  15           HN       ASN  15  30.853   3.110  -2.346
  109    HA   ASN  15           HA       ASN  15  32.557   1.094  -3.743
  110   1HB   ASN  15           HB2      ASN  15  32.310   2.009  -0.898
  111   2HB   ASN  15           HB1      ASN  15  32.799   0.339  -1.212
  112   1HD2  ASN  15          HD22      ASN  15  35.570   3.148  -1.595
  113   2HD2  ASN  15          HD21      ASN  15  34.134   3.339  -0.710
  114    H    THR  16           HN       THR  16  31.185  -0.295  -1.016
  115    HA   THR  16           HA       THR  16  28.651  -0.948  -2.449
  116    HB   THR  16           HB       THR  16  29.870  -3.336  -1.412
  117    HG1  THR  16           HG1      THR  16  31.441  -3.163  -3.334
  118   1HG2  THR  16          HG22      THR  16  28.322  -2.371  -3.623
  119   2HG2  THR  16          HG21      THR  16  29.679  -3.309  -4.249
  120   3HG2  THR  16          HG23      THR  16  28.559  -4.039  -3.098
  121    H    CYS  17           HN       CYS  17  27.008  -0.993  -1.049
  122    HA   CYS  17           HA       CYS  17  27.594  -1.333   1.842
  123   1HB   CYS  17           HB2      CYS  17  25.318  -0.023   0.390
  124   2HB   CYS  17           HB1      CYS  17  25.471  -0.143   2.146
  125    H    ARG  18           HN       ARG  18  25.526  -2.054   3.036
  126    HA   ARG  18           HA       ARG  18  24.085  -4.262   1.658
  127   1HB   ARG  18           HB2      ARG  18  26.307  -4.810   3.056
  128   2HB   ARG  18           HB1      ARG  18  25.188  -4.684   4.415
  129   1HG   ARG  18           HG2      ARG  18  23.662  -6.271   3.077
  130   2HG   ARG  18           HG1      ARG  18  25.078  -6.590   2.075
  131   1HD   ARG  18           HD2      ARG  18  26.325  -7.103   4.268
  132   2HD   ARG  18           HD1      ARG  18  24.721  -7.152   5.028
  133    HE   ARG  18           HE       ARG  18  25.017  -8.733   2.553
  134   1HH1  ARG  18          HH11      ARG  18  22.996  -9.026   4.874
  135   2HH1  ARG  18          HH12      ARG  18  23.542 -10.513   5.575
  136   1HH2  ARG  18          HH21      ARG  18  26.596 -10.473   3.935
  137   2HH2  ARG  18          HH22      ARG  18  25.581 -11.333   5.044
  138    H    CYS  19           HN       CYS  19  22.184  -2.910   1.832
  139    HA   CYS  19           HA       CYS  19  21.420  -1.390   4.075
  140   1HB   CYS  19           HB2      CYS  19  20.513  -1.453   1.726
  141   2HB   CYS  19           HB1      CYS  19  19.595  -2.899   2.190
  142    H    GLY  20           HN       GLY  20  20.667  -1.880   6.058
  143   1HA   GLY  20           HA2      GLY  20  20.548  -4.697   6.856
  144   2HA   GLY  20           HA1      GLY  20  20.370  -3.310   7.925
  145    H    ALA  21           HN       ALA  21  18.702  -5.326   8.416
  146    HA   ALA  21           HA       ALA  21  16.292  -5.708   7.098
  147   1HB   ALA  21           HB2      ALA  21  17.359  -5.834   9.803
  148   2HB   ALA  21           HB1      ALA  21  15.644  -5.424   9.813
  149   3HB   ALA  21           HB3      ALA  21  16.193  -6.900   9.019
  150    H    ASP  22           HN       ASP  22  17.398  -2.787   8.665
  151    HA   ASP  22           HA       ASP  22  14.679  -1.581   8.503
  152   1HB   ASP  22           HB2      ASP  22  15.555   0.035  10.012
  153   2HB   ASP  22           HB1      ASP  22  16.300  -1.479  10.521
  154    H    GLY  23           HN       GLY  23  14.268   0.168   7.094
  155   1HA   GLY  23           HA2      GLY  23  16.141   0.449   4.846
  156   2HA   GLY  23           HA1      GLY  23  14.535   1.172   4.953
  157    H    LYS  24           HN       LYS  24  17.472   1.408   7.000
  158    HA   LYS  24           HA       LYS  24  17.723   4.275   6.369
  159   1HB   LYS  24           HB2      LYS  24  16.634   3.147   8.933
  160   2HB   LYS  24           HB1      LYS  24  17.533   4.664   8.961
  161   1HG   LYS  24           HG2      LYS  24  15.908   5.210   6.902
  162   2HG   LYS  24           HG1      LYS  24  14.876   4.059   7.751
  163   1HD   LYS  24           HD2      LYS  24  14.329   5.633   9.259
  164   2HD   LYS  24           HD1      LYS  24  16.031   5.836   9.680
  165   1HE   LYS  24           HE2      LYS  24  16.344   7.551   8.058
  166   2HE   LYS  24           HE1      LYS  24  14.826   7.148   7.230
  167   1HZ   LYS  24           HZ3      LYS  24  13.801   7.571   9.549
  168   2HZ   LYS  24           HZ2      LYS  24  15.222   8.456   9.841
  169   3HZ   LYS  24           HZ1      LYS  24  14.188   8.900   8.569
  170    H    SER  25           HN       SER  25  19.288   1.508   6.679
  171    HA   SER  25           HA       SER  25  21.755   2.866   7.342
  172   1HB   SER  25           HB2      SER  25  22.033   1.006   9.268
  173   2HB   SER  25           HB1      SER  25  21.331   2.586   9.596
  174    HG   SER  25           HG       SER  25  19.894   1.102  10.359
  175    H    ALA  26           HN       ALA  26  23.610   1.166   7.311
  176    HA   ALA  26           HA       ALA  26  23.090  -1.468   6.252
  177   1HB   ALA  26           HB1      ALA  26  22.375   0.348   4.478
  178   2HB   ALA  26           HB3      ALA  26  24.109   0.429   4.164
  179   3HB   ALA  26           HB2      ALA  26  23.245  -1.090   3.966
  180    H    ALA  27           HN       ALA  27  25.020  -2.657   6.318
  181    HA   ALA  27           HA       ALA  27  27.455  -1.242   7.190
  182   1HB   ALA  27           HB3      ALA  27  26.496  -4.033   6.845
  183   2HB   ALA  27           HB2      ALA  27  28.232  -3.786   6.661
  184   3HB   ALA  27           HB1      ALA  27  27.430  -3.323   8.162
  185    H    CYS  28           HN       CYS  28  29.145  -0.713   5.787
  186    HA   CYS  28           HA       CYS  28  28.761  -1.578   2.963
  187   1HB   CYS  28           HB2      CYS  28  28.188   0.821   3.821
  188   2HB   CYS  28           HB1      CYS  28  29.920   1.068   3.739
  189    H    THR  29           HN       THR  29  30.859  -0.727   1.713
  190    HA   THR  29           HA       THR  29  33.307  -1.530   3.195
  191    HB   THR  29           HB       THR  29  31.892  -3.232   1.548
  192    HG1  THR  29           HG1      THR  29  34.524  -3.008   2.401
  193   1HG2  THR  29          HG23      THR  29  32.647  -1.558  -0.326
  194   2HG2  THR  29          HG22      THR  29  34.200  -2.376  -0.168
  195   3HG2  THR  29          HG21      THR  29  32.761  -3.293  -0.614
  196    H    LEU  30           HN       LEU  30  35.235  -0.710   2.078
  197    HA   LEU  30           HA       LEU  30  34.596   1.671   0.391
  198   1HB   LEU  30           HB2      LEU  30  36.834   1.234   2.385
  199   2HB   LEU  30           HB1      LEU  30  36.472   2.741   1.546
  200    HG   LEU  30           HG       LEU  30  35.455   3.008   3.662
  201   1HD1  LEU  30          HD12      LEU  30  33.920   3.059   1.437
  202   2HD1  LEU  30          HD11      LEU  30  33.035   1.863   2.381
  203   3HD1  LEU  30          HD13      LEU  30  33.307   3.477   3.035
  204   1HD2  LEU  30          HD22      LEU  30  35.565   0.273   3.821
  205   2HD2  LEU  30          HD21      LEU  30  34.730   1.305   4.982
  206   3HD2  LEU  30          HD23      LEU  30  33.830   0.547   3.668
  207    H    LYS  31           HN       LYS  31  35.002  -0.416  -1.224
  208    HA   LYS  31           HA       LYS  31  37.794  -1.016  -1.798
  209   1HB   LYS  31           HB2      LYS  31  35.092  -1.421  -3.033
  210   2HB   LYS  31           HB1      LYS  31  36.515  -1.671  -4.045
  211   1HG   LYS  31           HG2      LYS  31  36.473  -2.915  -1.323
  212   2HG   LYS  31           HG1      LYS  31  35.516  -3.662  -2.601
  213   1HD   LYS  31           HD2      LYS  31  37.363  -4.296  -3.808
  214   2HD   LYS  31           HD1      LYS  31  38.303  -2.893  -3.301
  215   1HE   LYS  31           HE2      LYS  31  38.005  -4.187  -0.909
  216   2HE   LYS  31           HE1      LYS  31  38.089  -5.557  -2.035
  217   1HZ   LYS  31           HZ2      LYS  31  39.973  -4.175  -3.104
  218   2HZ   LYS  31           HZ1      LYS  31  40.049  -3.402  -1.593
  219   3HZ   LYS  31           HZ3      LYS  31  40.309  -5.074  -1.702
  220    H    ALA  32           HN       ALA  32  37.896  -0.540  -4.579
  221    HA   ALA  32           HA       ALA  32  38.752   2.209  -4.674
  222   1HB   ALA  32           HB2      ALA  32  38.624  -0.153  -6.376
  223   2HB   ALA  32           HB1      ALA  32  38.285   1.317  -7.290
  224   3HB   ALA  32           HB3      ALA  32  39.795   1.166  -6.393
  225    H    CYS  33           HN       CYS  33  37.708   3.999  -5.709
  226    HA   CYS  33           HA       CYS  33  34.762   3.644  -6.146
  227   1HB   CYS  33           HB2      CYS  33  36.435   5.914  -5.032
  228   2HB   CYS  33           HB1      CYS  33  34.726   6.088  -5.425
  229    HA   PRO  34           HA       PRO  34  35.889   4.740 -10.323
  230   1HB   PRO  34           HB2      PRO  34  33.305   4.917 -11.249
  231   2HB   PRO  34           HB1      PRO  34  34.167   3.379 -11.032
  232   1HG   PRO  34           HG2      PRO  34  32.218   4.723  -9.206
  233   2HG   PRO  34           HG1      PRO  34  32.319   3.017  -9.683
  234   1HD   PRO  34           HD2      PRO  34  33.260   3.846  -7.320
  235   2HD   PRO  34           HD1      PRO  34  34.100   2.584  -8.253
  236    H    ASN  35           HN       ASN  35  35.796   6.684 -11.589
  237    HA   ASN  35           HA       ASN  35  34.229   8.973 -10.528
  238   1HB   ASN  35           HB2      ASN  35  36.713   8.509  -9.559
  239   2HB   ASN  35           HB1      ASN  35  37.132   9.450 -10.991
  240   1HD2  ASN  35          HD22      ASN  35  36.559  11.932  -8.305
  241   2HD2  ASN  35          HD21      ASN  35  37.704  10.727  -8.652
  242    H    GLN  36           HN       GLN  36  36.216  10.704 -12.090
  243    HA   GLN  36           HA       GLN  36  36.293  11.605 -14.277
  244   1HB   GLN  36           HB2      GLN  36  37.504   9.330 -14.345
  245   2HB   GLN  36           HB1      GLN  36  36.040   8.709 -15.108
  246   1HG   GLN  36           HG2      GLN  36  37.330   9.334 -16.959
  247   2HG   GLN  36           HG1      GLN  36  36.317  10.757 -16.714
  248   1HE2  GLN  36          HE22      GLN  36  39.361  12.585 -16.748
  249   2HE2  GLN  36          HE21      GLN  36  37.922  12.241 -17.581
   
  No H/Q in entry =         249
  Start of MODEL   34
    1   1H    GLU   1           HT2      GLU   1  18.515   9.953   7.114
    2   2H    GLU   1           HT1      GLU   1  18.754   9.137   8.586
    3   3H    GLU   1           HT3      GLU   1  19.045  10.805   8.484
    4    HA   GLU   1           HA       GLU   1  21.028  10.553   7.360
    5   1HB   GLU   1           HB2      GLU   1  20.364   8.568   9.449
    6   2HB   GLU   1           HB1      GLU   1  21.817   8.197   8.519
    7   1HG   GLU   1           HG2      GLU   1  22.565  10.587   8.945
    8   2HG   GLU   1           HG1      GLU   1  21.230  10.716  10.091
    9    H    ILE   2           HN       ILE   2  19.141   7.526   7.155
   10    HA   ILE   2           HA       ILE   2  20.035   7.182   4.347
   11    HB   ILE   2           HB       ILE   2  20.704   5.393   6.673
   12   1HG1  ILE   2          HG12      ILE   2  22.188   6.837   4.499
   13   2HG1  ILE   2          HG11      ILE   2  22.544   6.765   6.223
   14   1HG2  ILE   2          HG23      ILE   2  20.613   4.591   3.761
   15   2HG2  ILE   2          HG22      ILE   2  21.355   3.638   5.038
   16   3HG2  ILE   2          HG21      ILE   2  19.619   3.935   5.061
   17   1HD1  ILE   2          HD13      ILE   2  23.160   4.341   5.928
   18   2HD1  ILE   2          HD12      ILE   2  22.957   4.549   4.190
   19   3HD1  ILE   2          HD11      ILE   2  24.212   5.447   5.044
   20    H    SER   3           HN       SER   3  18.954   5.204   3.433
   21    HA   SER   3           HA       SER   3  16.779   3.902   4.710
   22   1HB   SER   3           HB2      SER   3  15.311   5.422   2.824
   23   2HB   SER   3           HB1      SER   3  15.202   5.526   4.578
   24    HG   SER   3           HG       SER   3  15.895   7.447   3.132
   25    H    CYS   4           HN       CYS   4  16.321   2.108   3.469
   26    HA   CYS   4           HA       CYS   4  16.445   2.137   0.552
   27   1HB   CYS   4           HB2      CYS   4  18.416   0.465   0.609
   28   2HB   CYS   4           HB1      CYS   4  18.796   2.161   0.879
   29    H    GLU   5           HN       GLU   5  16.473  -0.301  -0.213
   30    HA   GLU   5           HA       GLU   5  14.224  -1.649   0.899
   31   1HB   GLU   5           HB2      GLU   5  16.585  -2.735  -0.683
   32   2HB   GLU   5           HB1      GLU   5  14.996  -3.492  -0.555
   33   1HG   GLU   5           HG2      GLU   5  15.598  -0.786  -1.786
   34   2HG   GLU   5           HG1      GLU   5  15.130  -2.249  -2.653
   35    HA   PRO   6           HA       PRO   6  16.501  -2.864   4.583
   36   1HB   PRO   6           HB2      PRO   6  14.308  -3.982   5.822
   37   2HB   PRO   6           HB1      PRO   6  14.668  -2.243   5.834
   38   1HG   PRO   6           HG2      PRO   6  12.801  -3.772   4.071
   39   2HG   PRO   6           HG1      PRO   6  12.556  -2.220   4.894
   40   1HD   PRO   6           HD2      PRO   6  13.164  -2.327   2.287
   41   2HD   PRO   6           HD1      PRO   6  13.811  -1.042   3.337
   42    H    GLY   7           HN       GLY   7  17.649  -4.717   4.782
   43   1HA   GLY   7           HA2      GLY   7  17.983  -7.081   4.897
   44   2HA   GLY   7           HA1      GLY   7  16.405  -7.317   4.144
   45    H    LYS   8           HN       LYS   8  17.733  -4.982   2.302
   46    HA   LYS   8           HA       LYS   8  18.777  -6.996   0.357
   47   1HB   LYS   8           HB2      LYS   8  17.991  -4.141  -0.211
   48   2HB   LYS   8           HB1      LYS   8  18.024  -5.512  -1.321
   49   1HG   LYS   8           HG2      LYS   8  16.292  -6.397   0.628
   50   2HG   LYS   8           HG1      LYS   8  15.915  -4.676   0.555
   51   1HD   LYS   8           HD2      LYS   8  14.573  -5.326  -1.179
   52   2HD   LYS   8           HD1      LYS   8  16.079  -5.237  -2.095
   53   1HE   LYS   8           HE2      LYS   8  16.372  -7.563  -2.092
   54   2HE   LYS   8           HE1      LYS   8  15.351  -7.785  -0.656
   55   1HZ   LYS   8           HZ1      LYS   8  14.226  -6.583  -3.098
   56   2HZ   LYS   8           HZ3      LYS   8  14.358  -8.270  -2.982
   57   3HZ   LYS   8           HZ2      LYS   8  13.429  -7.412  -1.847
   58    H    THR   9           HN       THR   9  20.484  -6.086  -1.142
   59    HA   THR   9           HA       THR   9  22.449  -4.409   0.373
   60    HB   THR   9           HB       THR   9  23.177  -6.547  -1.596
   61    HG1  THR   9           HG1      THR   9  21.861  -7.671  -0.266
   62   1HG2  THR   9          HG22      THR   9  24.882  -5.002  -0.597
   63   2HG2  THR   9          HG21      THR   9  24.494  -5.682   0.983
   64   3HG2  THR   9          HG23      THR   9  25.187  -6.706  -0.271
   65    H    PHE  10           HN       PHE  10  23.797  -3.041  -0.972
   66    HA   PHE  10           HA       PHE  10  23.312  -2.997  -3.873
   67   1HB   PHE  10           HB2      PHE  10  22.565  -0.559  -3.694
   68   2HB   PHE  10           HB1      PHE  10  21.394  -1.767  -3.174
   69    HD1  PHE  10           HD1      PHE  10  24.313   0.063  -1.641
   70    HD2  PHE  10           HD2      PHE  10  20.247  -1.254  -1.222
   71    HE1  PHE  10           HE1      PHE  10  24.157   1.161   0.572
   72    HE2  PHE  10           HE2      PHE  10  20.129  -0.152   0.983
   73    HZ   PHE  10           HZ       PHE  10  22.123   1.050   1.873
   74    H    LYS  11           HN       LYS  11  24.306  -0.453  -4.371
   75    HA   LYS  11           HA       LYS  11  27.140  -0.819  -3.522
   76   1HB   LYS  11           HB2      LYS  11  26.272  -0.634  -5.944
   77   2HB   LYS  11           HB1      LYS  11  26.025   1.078  -5.598
   78   1HG   LYS  11           HG2      LYS  11  28.377   1.365  -5.060
   79   2HG   LYS  11           HG1      LYS  11  28.662  -0.368  -5.222
   80   1HD   LYS  11           HD2      LYS  11  29.344   0.981  -7.242
   81   2HD   LYS  11           HD1      LYS  11  28.178  -0.297  -7.587
   82   1HE   LYS  11           HE2      LYS  11  26.333   1.350  -7.508
   83   2HE   LYS  11           HE1      LYS  11  27.505   2.639  -7.165
   84   1HZ   LYS  11           HZ1      LYS  11  28.687   1.536  -9.234
   85   2HZ   LYS  11           HZ3      LYS  11  27.092   1.114  -9.628
   86   3HZ   LYS  11           HZ2      LYS  11  27.511   2.749  -9.424
   87    H    ASP  12           HN       ASP  12  25.101   2.055  -4.222
   88    HA   ASP  12           HA       ASP  12  25.017   4.148  -3.121
   89   1HB   ASP  12           HB2      ASP  12  24.321   2.258  -1.391
   90   2HB   ASP  12           HB1      ASP  12  25.846   2.701  -0.625
   91    H    LYS  13           HN       LYS  13  26.475   5.710  -1.848
   92    HA   LYS  13           HA       LYS  13  28.608   6.761  -1.792
   93   1HB   LYS  13           HB2      LYS  13  29.375   3.970  -0.882
   94   2HB   LYS  13           HB1      LYS  13  30.121   5.492  -0.394
   95   1HG   LYS  13           HG2      LYS  13  27.211   4.836   0.127
   96   2HG   LYS  13           HG1      LYS  13  28.496   4.514   1.291
   97   1HD   LYS  13           HD2      LYS  13  29.123   7.030   0.894
   98   2HD   LYS  13           HD1      LYS  13  27.467   7.158   0.300
   99   1HE   LYS  13           HE2      LYS  13  26.609   6.265   2.430
  100   2HE   LYS  13           HE1      LYS  13  28.269   6.093   3.034
  101   1HZ   LYS  13           HZ3      LYS  13  27.123   8.642   2.029
  102   2HZ   LYS  13           HZ2      LYS  13  27.194   8.225   3.674
  103   3HZ   LYS  13           HZ1      LYS  13  28.626   8.426   2.782
  104    H    CYS  14           HN       CYS  14  31.108   5.031  -2.083
  105    HA   CYS  14           HA       CYS  14  31.000   4.745  -5.067
  106   1HB   CYS  14           HB2      CYS  14  33.311   5.516  -5.044
  107   2HB   CYS  14           HB1      CYS  14  32.328   6.653  -4.122
  108    H    ASN  15           HN       ASN  15  30.951   2.839  -2.418
  109    HA   ASN  15           HA       ASN  15  32.782   0.836  -3.675
  110   1HB   ASN  15           HB2      ASN  15  32.394   1.756  -0.842
  111   2HB   ASN  15           HB1      ASN  15  32.965   0.110  -1.148
  112   1HD2  ASN  15          HD22      ASN  15  35.599   3.090  -1.437
  113   2HD2  ASN  15          HD21      ASN  15  34.119   3.198  -0.610
  114    H    THR  16           HN       THR  16  31.287  -0.471  -0.954
  115    HA   THR  16           HA       THR  16  28.854  -1.257  -2.512
  116    HB   THR  16           HB       THR  16  29.838  -3.589  -1.290
  117    HG1  THR  16           HG1      THR  16  31.817  -2.522  -2.973
  118   1HG2  THR  16          HG23      THR  16  28.730  -2.805  -3.667
  119   2HG2  THR  16          HG22      THR  16  30.367  -3.233  -4.164
  120   3HG2  THR  16          HG21      THR  16  29.355  -4.423  -3.346
  121    H    CYS  17           HN       CYS  17  27.121  -1.092  -1.195
  122    HA   CYS  17           HA       CYS  17  27.544  -1.369   1.738
  123   1HB   CYS  17           HB2      CYS  17  25.421   0.052   0.178
  124   2HB   CYS  17           HB1      CYS  17  25.507  -0.011   1.931
  125    H    ARG  18           HN       ARG  18  25.433  -1.969   2.876
  126    HA   ARG  18           HA       ARG  18  23.850  -4.009   1.420
  127   1HB   ARG  18           HB2      ARG  18  25.699  -5.228   2.413
  128   2HB   ARG  18           HB1      ARG  18  25.485  -4.384   3.948
  129   1HG   ARG  18           HG2      ARG  18  22.991  -5.419   3.600
  130   2HG   ARG  18           HG1      ARG  18  23.970  -6.663   2.822
  131   1HD   ARG  18           HD2      ARG  18  24.889  -5.619   5.477
  132   2HD   ARG  18           HD1      ARG  18  23.530  -6.759   5.442
  133    HE   ARG  18           HE       ARG  18  25.981  -7.427   3.888
  134   1HH1  ARG  18          HH11      ARG  18  24.613  -7.683   6.974
  135   2HH1  ARG  18          HH12      ARG  18  24.845  -9.393   7.114
  136   1HH2  ARG  18          HH21      ARG  18  25.937  -9.779   3.846
  137   2HH2  ARG  18          HH22      ARG  18  25.595 -10.580   5.342
  138    H    CYS  19           HN       CYS  19  21.950  -2.663   1.662
  139    HA   CYS  19           HA       CYS  19  21.162  -1.071   3.781
  140   1HB   CYS  19           HB2      CYS  19  20.026  -1.686   1.593
  141   2HB   CYS  19           HB1      CYS  19  19.350  -3.080   2.435
  142    H    GLY  20           HN       GLY  20  21.082  -1.460   5.947
  143   1HA   GLY  20           HA2      GLY  20  21.245  -4.109   7.064
  144   2HA   GLY  20           HA1      GLY  20  20.972  -2.628   7.979
  145    H    ALA  21           HN       ALA  21  19.570  -4.522   9.018
  146    HA   ALA  21           HA       ALA  21  17.210  -5.556   8.042
  147   1HB   ALA  21           HB1      ALA  21  18.153  -4.452  10.644
  148   2HB   ALA  21           HB3      ALA  21  16.425  -4.779  10.505
  149   3HB   ALA  21           HB2      ALA  21  17.593  -6.078  10.255
  150    H    ASP  22           HN       ASP  22  16.757  -2.718  10.098
  151    HA   ASP  22           HA       ASP  22  14.376  -1.833   8.868
  152   1HB   ASP  22           HB2      ASP  22  16.337  -0.941  10.812
  153   2HB   ASP  22           HB1      ASP  22  15.736   0.424   9.871
  154    H    GLY  23           HN       GLY  23  13.990  -0.112   7.333
  155   1HA   GLY  23           HA2      GLY  23  16.052   0.075   5.250
  156   2HA   GLY  23           HA1      GLY  23  14.419   0.737   5.155
  157    H    LYS  24           HN       LYS  24  17.433   1.250   7.027
  158    HA   LYS  24           HA       LYS  24  17.334   4.131   6.414
  159   1HB   LYS  24           HB2      LYS  24  16.590   2.886   9.029
  160   2HB   LYS  24           HB1      LYS  24  17.510   4.391   9.073
  161   1HG   LYS  24           HG2      LYS  24  15.763   5.260   7.362
  162   2HG   LYS  24           HG1      LYS  24  14.784   3.890   7.889
  163   1HD   LYS  24           HD2      LYS  24  15.450   4.818  10.302
  164   2HD   LYS  24           HD1      LYS  24  15.606   6.330   9.405
  165   1HE   LYS  24           HE2      LYS  24  13.325   6.283   8.716
  166   2HE   LYS  24           HE1      LYS  24  13.143   4.579   9.177
  167   1HZ   LYS  24           HZ2      LYS  24  14.103   6.378  11.251
  168   2HZ   LYS  24           HZ1      LYS  24  12.481   6.586  10.792
  169   3HZ   LYS  24           HZ3      LYS  24  13.013   5.079  11.359
  170    H    SER  25           HN       SER  25  19.129   1.585   6.335
  171    HA   SER  25           HA       SER  25  21.567   3.059   6.737
  172   1HB   SER  25           HB2      SER  25  22.243   1.224   8.557
  173   2HB   SER  25           HB1      SER  25  21.409   2.702   9.027
  174    HG   SER  25           HG       SER  25  20.428   0.084   8.734
  175    H    ALA  26           HN       ALA  26  23.460   1.199   6.743
  176    HA   ALA  26           HA       ALA  26  22.874  -1.297   5.461
  177   1HB   ALA  26           HB1      ALA  26  22.286   0.695   3.803
  178   2HB   ALA  26           HB3      ALA  26  24.024   0.665   3.510
  179   3HB   ALA  26           HB2      ALA  26  23.054  -0.774   3.202
  180    H    ALA  27           HN       ALA  27  24.658  -2.422   6.261
  181    HA   ALA  27           HA       ALA  27  27.134  -1.140   6.983
  182   1HB   ALA  27           HB1      ALA  27  26.430  -4.006   6.306
  183   2HB   ALA  27           HB3      ALA  27  27.976  -3.511   6.995
  184   3HB   ALA  27           HB2      ALA  27  26.488  -3.281   7.914
  185    H    CYS  28           HN       CYS  28  28.879  -0.644   5.684
  186    HA   CYS  28           HA       CYS  28  28.695  -1.579   2.862
  187   1HB   CYS  28           HB2      CYS  28  28.199   0.871   3.664
  188   2HB   CYS  28           HB1      CYS  28  29.946   1.010   3.653
  189    H    THR  29           HN       THR  29  30.899  -0.868   1.750
  190    HA   THR  29           HA       THR  29  33.219  -1.663   3.419
  191    HB   THR  29           HB       THR  29  31.849  -3.511   1.954
  192    HG1  THR  29           HG1      THR  29  34.667  -3.520   1.995
  193   1HG2  THR  29          HG23      THR  29  32.466  -2.098  -0.120
  194   2HG2  THR  29          HG22      THR  29  34.099  -2.726   0.107
  195   3HG2  THR  29          HG21      THR  29  32.762  -3.835  -0.200
  196    H    LEU  30           HN       LEU  30  35.242  -1.168   2.233
  197    HA   LEU  30           HA       LEU  30  34.845   1.217   0.482
  198   1HB   LEU  30           HB2      LEU  30  37.083   0.390   2.353
  199   2HB   LEU  30           HB1      LEU  30  37.031   1.899   1.440
  200    HG   LEU  30           HG       LEU  30  36.201   2.459   3.596
  201   1HD1  LEU  30          HD11      LEU  30  34.739   2.984   1.463
  202   2HD1  LEU  30          HD13      LEU  30  33.594   1.888   2.234
  203   3HD1  LEU  30          HD12      LEU  30  34.118   3.347   3.072
  204   1HD2  LEU  30          HD22      LEU  30  35.655  -0.183   3.891
  205   2HD2  LEU  30          HD21      LEU  30  35.033   1.062   4.973
  206   3HD2  LEU  30          HD23      LEU  30  34.025   0.451   3.662
  207    H    LYS  31           HN       LYS  31  36.624   1.634  -1.030
  208    HA   LYS  31           HA       LYS  31  38.581  -0.160  -1.953
  209   1HB   LYS  31           HB2      LYS  31  35.966  -1.156  -2.302
  210   2HB   LYS  31           HB1      LYS  31  36.440  -0.564  -3.892
  211   1HG   LYS  31           HG2      LYS  31  38.641  -1.978  -2.656
  212   2HG   LYS  31           HG1      LYS  31  37.202  -2.999  -2.703
  213   1HD   LYS  31           HD2      LYS  31  37.556  -1.508  -5.185
  214   2HD   LYS  31           HD1      LYS  31  38.947  -2.532  -4.827
  215   1HE   LYS  31           HE2      LYS  31  37.761  -4.464  -5.145
  216   2HE   LYS  31           HE1      LYS  31  36.300  -3.802  -4.385
  217   1HZ   LYS  31           HZ3      LYS  31  37.341  -3.033  -7.061
  218   2HZ   LYS  31           HZ2      LYS  31  36.014  -4.057  -6.787
  219   3HZ   LYS  31           HZ1      LYS  31  35.940  -2.423  -6.328
  220    H    ALA  32           HN       ALA  32  39.002   0.364  -4.444
  221    HA   ALA  32           HA       ALA  32  39.423   3.075  -4.850
  222   1HB   ALA  32           HB3      ALA  32  38.779   0.799  -6.728
  223   2HB   ALA  32           HB2      ALA  32  39.189   2.403  -7.340
  224   3HB   ALA  32           HB1      ALA  32  40.355   1.506  -6.366
  225    H    CYS  33           HN       CYS  33  38.218   4.768  -5.849
  226    HA   CYS  33           HA       CYS  33  35.299   4.247  -6.264
  227   1HB   CYS  33           HB2      CYS  33  36.652   6.462  -4.689
  228   2HB   CYS  33           HB1      CYS  33  34.927   6.425  -5.057
  229    HA   PRO  34           HA       PRO  34  36.236   6.279 -10.082
  230   1HB   PRO  34           HB2      PRO  34  33.637   6.797 -10.821
  231   2HB   PRO  34           HB1      PRO  34  34.404   5.203 -10.980
  232   1HG   PRO  34           HG2      PRO  34  32.615   6.228  -8.814
  233   2HG   PRO  34           HG1      PRO  34  32.588   4.663  -9.648
  234   1HD   PRO  34           HD2      PRO  34  33.666   4.910  -7.212
  235   2HD   PRO  34           HD1      PRO  34  34.389   3.833  -8.433
  236    H    ASN  35           HN       ASN  35  35.626   8.458 -11.131
  237    HA   ASN  35           HA       ASN  35  35.459  10.525  -8.980
  238   1HB   ASN  35           HB2      ASN  35  36.579  11.930 -10.662
  239   2HB   ASN  35           HB1      ASN  35  37.447  10.407 -10.476
  240   1HD2  ASN  35          HD22      ASN  35  37.218   9.875 -13.945
  241   2HD2  ASN  35          HD21      ASN  35  38.187   9.883 -12.551
  242    H    GLN  36           HN       GLN  36  34.883  12.501 -11.210
  243    HA   GLN  36           HA       GLN  36  32.074  12.758 -10.895
  244   1HB   GLN  36           HB2      GLN  36  34.086  13.759 -12.921
  245   2HB   GLN  36           HB1      GLN  36  32.401  14.279 -12.945
  246   1HG   GLN  36           HG2      GLN  36  32.971  14.649 -10.319
  247   2HG   GLN  36           HG1      GLN  36  34.559  14.950 -11.024
  248   1HE2  GLN  36          HE22      GLN  36  32.819  17.522 -13.232
  249   2HE2  GLN  36          HE21      GLN  36  33.456  15.989 -13.583
   
  No H/Q in entry =         249
  Start of MODEL   35
    1   1H    GLU   1           HT3      GLU   1  20.747   9.509   4.507
    2   2H    GLU   1           HT2      GLU   1  20.890   9.065   6.141
    3   3H    GLU   1           HT1      GLU   1  21.952  10.209   5.472
    4    HA   GLU   1           HA       GLU   1  23.215   8.645   4.399
    5   1HB   GLU   1           HB2      GLU   1  22.229   8.072   7.043
    6   2HB   GLU   1           HB1      GLU   1  22.563   6.552   6.212
    7   1HG   GLU   1           HG2      GLU   1  24.596   7.277   7.322
    8   2HG   GLU   1           HG1      GLU   1  24.817   7.460   5.582
    9    H    ILE   2           HN       ILE   2  20.501   6.595   5.527
   10    HA   ILE   2           HA       ILE   2  20.065   5.684   2.716
   11    HB   ILE   2           HB       ILE   2  20.605   3.938   5.127
   12   1HG1  ILE   2          HG12      ILE   2  22.451   3.267   3.221
   13   2HG1  ILE   2          HG11      ILE   2  22.283   4.999   2.931
   14   1HG2  ILE   2          HG21      ILE   2  19.809   3.319   2.287
   15   2HG2  ILE   2          HG23      ILE   2  20.606   2.128   3.315
   16   3HG2  ILE   2          HG22      ILE   2  19.037   2.786   3.780
   17   1HD1  ILE   2          HD13      ILE   2  22.431   4.346   5.780
   18   2HD1  ILE   2          HD12      ILE   2  23.867   3.835   4.891
   19   3HD1  ILE   2          HD11      ILE   2  23.358   5.523   4.850
   20    H    SER   3           HN       SER   3  18.109   4.213   2.654
   21    HA   SER   3           HA       SER   3  16.223   4.142   4.820
   22   1HB   SER   3           HB2      SER   3  16.475   6.510   3.231
   23   2HB   SER   3           HB1      SER   3  14.892   5.792   2.954
   24    HG   SER   3           HG       SER   3  14.789   5.662   5.336
   25    H    CYS   4           HN       CYS   4  17.358   2.640   2.598
   26    HA   CYS   4           HA       CYS   4  15.251   2.104   0.655
   27   1HB   CYS   4           HB2      CYS   4  17.074   1.378  -0.454
   28   2HB   CYS   4           HB1      CYS   4  18.029   1.738   0.960
   29    H    GLU   5           HN       GLU   5  15.079  -0.489   0.334
   30    HA   GLU   5           HA       GLU   5  13.375  -1.430   2.497
   31   1HB   GLU   5           HB2      GLU   5  13.738  -1.896  -0.222
   32   2HB   GLU   5           HB1      GLU   5  14.317  -3.387   0.520
   33   1HG   GLU   5           HG2      GLU   5  12.083  -3.056   1.972
   34   2HG   GLU   5           HG1      GLU   5  11.576  -2.219   0.504
   35    HA   PRO   6           HA       PRO   6  16.887  -2.937   4.784
   36   1HB   PRO   6           HB2      PRO   6  15.402  -4.183   6.746
   37   2HB   PRO   6           HB1      PRO   6  15.746  -2.442   6.725
   38   1HG   PRO   6           HG2      PRO   6  13.306  -3.899   5.809
   39   2HG   PRO   6           HG1      PRO   6  13.440  -2.397   6.744
   40   1HD   PRO   6           HD2      PRO   6  12.903  -2.363   4.114
   41   2HD   PRO   6           HD1      PRO   6  13.923  -1.116   4.868
   42    H    GLY   7           HN       GLY   7  18.008  -4.792   4.470
   43   1HA   GLY   7           HA2      GLY   7  18.088  -7.263   4.535
   44   2HA   GLY   7           HA1      GLY   7  16.478  -7.270   3.811
   45    H    LYS   8           HN       LYS   8  17.744  -4.826   2.177
   46    HA   LYS   8           HA       LYS   8  18.720  -6.627   0.001
   47   1HB   LYS   8           HB2      LYS   8  17.955  -3.711  -0.175
   48   2HB   LYS   8           HB1      LYS   8  17.989  -4.907  -1.472
   49   1HG   LYS   8           HG2      LYS   8  16.260  -6.139   0.181
   50   2HG   LYS   8           HG1      LYS   8  15.938  -4.467   0.643
   51   1HD   LYS   8           HD2      LYS   8  14.714  -4.184  -1.220
   52   2HD   LYS   8           HD1      LYS   8  16.126  -4.567  -2.205
   53   1HE   LYS   8           HE2      LYS   8  15.577  -7.043  -1.745
   54   2HE   LYS   8           HE1      LYS   8  13.999  -6.459  -1.180
   55   1HZ   LYS   8           HZ1      LYS   8  14.134  -5.057  -3.360
   56   2HZ   LYS   8           HZ3      LYS   8  15.188  -6.288  -3.861
   57   3HZ   LYS   8           HZ2      LYS   8  13.594  -6.668  -3.412
   58    H    THR   9           HN       THR   9  20.387  -5.548  -1.458
   59    HA   THR   9           HA       THR   9  22.415  -4.013   0.129
   60    HB   THR   9           HB       THR   9  22.928  -6.286  -1.801
   61    HG1  THR   9           HG1      THR   9  22.419  -6.222   0.940
   62   1HG2  THR   9          HG23      THR   9  24.719  -4.507  -1.277
   63   2HG2  THR   9          HG22      THR   9  24.788  -5.248   0.322
   64   3HG2  THR   9          HG21      THR   9  25.171  -6.202  -1.109
   65    H    PHE  10           HN       PHE  10  23.947  -2.824  -1.306
   66    HA   PHE  10           HA       PHE  10  23.371  -2.642  -4.162
   67   1HB   PHE  10           HB2      PHE  10  22.618  -0.196  -3.879
   68   2HB   PHE  10           HB1      PHE  10  21.453  -1.445  -3.446
   69    HD1  PHE  10           HD1      PHE  10  24.347   0.302  -1.785
   70    HD2  PHE  10           HD2      PHE  10  20.291  -1.070  -1.466
   71    HE1  PHE  10           HE1      PHE  10  24.190   1.230   0.498
   72    HE2  PHE  10           HE2      PHE  10  20.166  -0.132   0.815
   73    HZ   PHE  10           HZ       PHE  10  22.154   1.012   1.786
   74    H    LYS  11           HN       LYS  11  24.314  -0.070  -4.601
   75    HA   LYS  11           HA       LYS  11  27.179  -0.415  -3.925
   76   1HB   LYS  11           HB2      LYS  11  26.501  -0.008  -6.235
   77   2HB   LYS  11           HB1      LYS  11  25.633   1.451  -5.756
   78   1HG   LYS  11           HG2      LYS  11  27.968   2.171  -4.775
   79   2HG   LYS  11           HG1      LYS  11  28.594   0.978  -5.915
   80   1HD   LYS  11           HD2      LYS  11  26.713   2.404  -7.401
   81   2HD   LYS  11           HD1      LYS  11  27.521   3.640  -6.435
   82   1HE   LYS  11           HE2      LYS  11  29.703   2.935  -7.250
   83   2HE   LYS  11           HE1      LYS  11  28.979   1.558  -8.103
   84   1HZ   LYS  11           HZ1      LYS  11  27.826   4.190  -8.604
   85   2HZ   LYS  11           HZ3      LYS  11  29.354   3.893  -9.277
   86   3HZ   LYS  11           HZ2      LYS  11  28.045   2.882  -9.666
   87    H    ASP  12           HN       ASP  12  25.219   2.561  -4.212
   88    HA   ASP  12           HA       ASP  12  25.203   4.501  -2.859
   89   1HB   ASP  12           HB2      ASP  12  24.362   2.431  -1.409
   90   2HB   ASP  12           HB1      ASP  12  25.860   2.731  -0.531
   91    H    LYS  13           HN       LYS  13  26.672   5.788  -1.303
   92    HA   LYS  13           HA       LYS  13  28.844   6.717  -1.029
   93   1HB   LYS  13           HB2      LYS  13  29.305   3.768  -0.461
   94   2HB   LYS  13           HB1      LYS  13  30.311   5.095   0.121
   95   1HG   LYS  13           HG2      LYS  13  27.351   4.997   0.703
   96   2HG   LYS  13           HG1      LYS  13  28.519   4.175   1.738
   97   1HD   LYS  13           HD2      LYS  13  29.684   6.642   1.451
   98   2HD   LYS  13           HD1      LYS  13  27.969   7.057   1.450
   99   1HE   LYS  13           HE2      LYS  13  27.972   5.307   3.508
  100   2HE   LYS  13           HE1      LYS  13  29.633   5.919   3.645
  101   1HZ   LYS  13           HZ3      LYS  13  28.752   8.182   3.486
  102   2HZ   LYS  13           HZ2      LYS  13  27.167   7.571   3.440
  103   3HZ   LYS  13           HZ1      LYS  13  28.119   7.368   4.833
  104    H    CYS  14           HN       CYS  14  31.338   5.178  -1.485
  105    HA   CYS  14           HA       CYS  14  31.311   5.219  -4.482
  106   1HB   CYS  14           HB2      CYS  14  33.613   5.942  -4.290
  107   2HB   CYS  14           HB1      CYS  14  32.655   6.921  -3.180
  108    H    ASN  15           HN       ASN  15  31.186   2.999  -2.059
  109    HA   ASN  15           HA       ASN  15  32.938   1.095  -3.565
  110   1HB   ASN  15           HB2      ASN  15  32.591   1.693  -0.643
  111   2HB   ASN  15           HB1      ASN  15  33.073   0.064  -1.134
  112   1HD2  ASN  15          HD22      ASN  15  35.865   2.911  -1.085
  113   2HD2  ASN  15          HD21      ASN  15  34.386   3.007  -0.254
  114    H    THR  16           HN       THR  16  31.365  -0.433  -0.987
  115    HA   THR  16           HA       THR  16  28.924  -0.976  -2.638
  116    HB   THR  16           HB       THR  16  29.790  -3.444  -1.607
  117    HG1  THR  16           HG1      THR  16  31.847  -2.227  -3.110
  118   1HG2  THR  16          HG23      THR  16  28.825  -2.353  -3.965
  119   2HG2  THR  16          HG22      THR  16  30.417  -2.958  -4.420
  120   3HG2  THR  16          HG21      THR  16  29.228  -4.050  -3.709
  121    H    CYS  17           HN       CYS  17  27.171  -0.868  -1.318
  122    HA   CYS  17           HA       CYS  17  27.600  -1.314   1.589
  123   1HB   CYS  17           HB2      CYS  17  25.510   0.212   0.083
  124   2HB   CYS  17           HB1      CYS  17  25.535   0.028   1.830
  125    H    ARG  18           HN       ARG  18  25.455  -1.904   2.703
  126    HA   ARG  18           HA       ARG  18  23.893  -3.928   1.201
  127   1HB   ARG  18           HB2      ARG  18  25.969  -4.868   2.413
  128   2HB   ARG  18           HB1      ARG  18  25.125  -4.471   3.911
  129   1HG   ARG  18           HG2      ARG  18  23.169  -5.828   3.071
  130   2HG   ARG  18           HG1      ARG  18  24.188  -6.353   1.730
  131   1HD   ARG  18           HD2      ARG  18  25.862  -7.194   3.430
  132   2HD   ARG  18           HD1      ARG  18  24.657  -6.852   4.688
  133    HE   ARG  18           HE       ARG  18  23.109  -8.322   3.163
  134   1HH1  ARG  18          HH11      ARG  18  25.465  -9.027   1.373
  135   2HH1  ARG  18          HH12      ARG  18  25.928 -10.568   2.014
  136   1HH2  ARG  18          HH21      ARG  18  24.146 -10.170   4.962
  137   2HH2  ARG  18          HH22      ARG  18  25.182 -11.215   4.047
  138    H    CYS  19           HN       CYS  19  22.021  -2.568   1.420
  139    HA   CYS  19           HA       CYS  19  21.124  -1.035   3.531
  140   1HB   CYS  19           HB2      CYS  19  20.220  -1.857   1.208
  141   2HB   CYS  19           HB1      CYS  19  19.325  -3.021   2.185
  142    H    GLY  20           HN       GLY  20  21.125  -1.557   5.700
  143   1HA   GLY  20           HA2      GLY  20  21.104  -4.295   6.641
  144   2HA   GLY  20           HA1      GLY  20  21.083  -2.856   7.656
  145    H    ALA  21           HN       ALA  21  19.540  -4.192   8.923
  146    HA   ALA  21           HA       ALA  21  16.848  -4.602   7.781
  147   1HB   ALA  21           HB1      ALA  21  18.463  -5.840   9.647
  148   2HB   ALA  21           HB3      ALA  21  17.299  -4.983  10.657
  149   3HB   ALA  21           HB2      ALA  21  16.735  -6.139   9.448
  150    H    ASP  22           HN       ASP  22  18.537  -2.224   9.618
  151    HA   ASP  22           HA       ASP  22  16.571  -1.108  11.287
  152   1HB   ASP  22           HB2      ASP  22  19.092  -0.397  10.061
  153   2HB   ASP  22           HB1      ASP  22  18.028   1.010  10.113
  154    H    GLY  23           HN       GLY  23  16.592  -1.208   7.825
  155   1HA   GLY  23           HA2      GLY  23  14.700  -0.612   6.474
  156   2HA   GLY  23           HA1      GLY  23  14.106   0.397   7.792
  157    H    LYS  24           HN       LYS  24  16.993   1.480   7.990
  158    HA   LYS  24           HA       LYS  24  17.125   3.034   5.483
  159   1HB   LYS  24           HB2      LYS  24  16.880   4.405   8.171
  160   2HB   LYS  24           HB1      LYS  24  16.763   5.141   6.574
  161   1HG   LYS  24           HG2      LYS  24  14.715   3.754   6.149
  162   2HG   LYS  24           HG1      LYS  24  14.796   3.203   7.823
  163   1HD   LYS  24           HD2      LYS  24  15.016   6.091   7.689
  164   2HD   LYS  24           HD1      LYS  24  13.547   5.539   6.881
  165   1HE   LYS  24           HE2      LYS  24  13.428   3.981   9.089
  166   2HE   LYS  24           HE1      LYS  24  14.286   5.383   9.761
  167   1HZ   LYS  24           HZ2      LYS  24  12.499   6.623   8.268
  168   2HZ   LYS  24           HZ1      LYS  24  11.604   5.223   8.621
  169   3HZ   LYS  24           HZ3      LYS  24  12.186   6.196   9.883
  170    H    SER  25           HN       SER  25  18.976   1.267   6.129
  171    HA   SER  25           HA       SER  25  21.268   2.999   6.490
  172   1HB   SER  25           HB2      SER  25  22.048   1.307   8.384
  173   2HB   SER  25           HB1      SER  25  20.999   2.662   8.789
  174    HG   SER  25           HG       SER  25  20.496  -0.031   8.787
  175    H    ALA  26           HN       ALA  26  23.308   1.218   6.609
  176    HA   ALA  26           HA       ALA  26  22.872  -1.300   5.293
  177   1HB   ALA  26           HB3      ALA  26  22.200   0.492   3.568
  178   2HB   ALA  26           HB2      ALA  26  23.919   0.870   3.470
  179   3HB   ALA  26           HB1      ALA  26  23.344  -0.736   3.029
  180    H    ALA  27           HN       ALA  27  24.651  -2.412   6.059
  181    HA   ALA  27           HA       ALA  27  27.085  -1.063   6.893
  182   1HB   ALA  27           HB3      ALA  27  26.000  -3.787   6.710
  183   2HB   ALA  27           HB2      ALA  27  27.740  -3.711   6.421
  184   3HB   ALA  27           HB1      ALA  27  27.067  -3.088   7.928
  185    H    CYS  28           HN       CYS  28  28.950  -0.698   5.622
  186    HA   CYS  28           HA       CYS  28  28.660  -1.570   2.793
  187   1HB   CYS  28           HB2      CYS  28  28.398   0.898   3.676
  188   2HB   CYS  28           HB1      CYS  28  30.150   0.884   3.583
  189    H    THR  29           HN       THR  29  30.908  -0.977   1.668
  190    HA   THR  29           HA       THR  29  33.153  -2.112   3.254
  191    HB   THR  29           HB       THR  29  31.604  -3.622   1.544
  192    HG1  THR  29           HG1      THR  29  34.367  -4.073   1.664
  193   1HG2  THR  29          HG23      THR  29  32.646  -2.050  -0.296
  194   2HG2  THR  29          HG22      THR  29  34.057  -3.089  -0.096
  195   3HG2  THR  29          HG21      THR  29  32.514  -3.784  -0.591
  196    H    LEU  30           HN       LEU  30  35.215  -1.615   2.183
  197    HA   LEU  30           HA       LEU  30  35.022   0.951   0.677
  198   1HB   LEU  30           HB2      LEU  30  37.345  -0.169   2.257
  199   2HB   LEU  30           HB1      LEU  30  37.065   1.510   1.791
  200    HG   LEU  30           HG       LEU  30  35.078   0.037   3.523
  201   1HD1  LEU  30          HD13      LEU  30  37.309  -0.128   4.591
  202   2HD1  LEU  30          HD12      LEU  30  37.464   1.627   4.489
  203   3HD1  LEU  30          HD11      LEU  30  36.206   0.908   5.497
  204   1HD2  LEU  30          HD22      LEU  30  34.451   2.198   2.457
  205   2HD2  LEU  30          HD21      LEU  30  34.498   2.311   4.216
  206   3HD2  LEU  30          HD23      LEU  30  35.825   2.965   3.256
  207    H    LYS  31           HN       LYS  31  36.810   1.381  -0.817
  208    HA   LYS  31           HA       LYS  31  38.650  -0.401  -1.935
  209   1HB   LYS  31           HB2      LYS  31  35.912  -1.175  -2.350
  210   2HB   LYS  31           HB1      LYS  31  36.592  -0.701  -3.906
  211   1HG   LYS  31           HG2      LYS  31  38.610  -2.207  -2.666
  212   2HG   LYS  31           HG1      LYS  31  37.116  -3.083  -2.333
  213   1HD   LYS  31           HD2      LYS  31  36.787  -3.620  -4.524
  214   2HD   LYS  31           HD1      LYS  31  37.377  -2.058  -5.095
  215   1HE   LYS  31           HE2      LYS  31  39.196  -4.231  -4.000
  216   2HE   LYS  31           HE1      LYS  31  38.887  -3.976  -5.730
  217   1HZ   LYS  31           HZ1      LYS  31  39.388  -1.502  -5.049
  218   2HZ   LYS  31           HZ3      LYS  31  40.286  -2.249  -3.819
  219   3HZ   LYS  31           HZ2      LYS  31  40.646  -2.573  -5.448
  220    H    ALA  32           HN       ALA  32  38.795   0.207  -4.522
  221    HA   ALA  32           HA       ALA  32  39.461   2.885  -4.794
  222   1HB   ALA  32           HB1      ALA  32  38.199   1.022  -6.832
  223   2HB   ALA  32           HB3      ALA  32  39.100   2.486  -7.229
  224   3HB   ALA  32           HB2      ALA  32  39.918   1.132  -6.450
  225    H    CYS  33           HN       CYS  33  38.339   4.764  -5.538
  226    HA   CYS  33           HA       CYS  33  35.361   4.587  -5.695
  227   1HB   CYS  33           HB2      CYS  33  37.055   6.352  -3.901
  228   2HB   CYS  33           HB1      CYS  33  35.335   6.627  -4.179
  229    HA   PRO  34           HA       PRO  34  37.037   7.027  -9.175
  230   1HB   PRO  34           HB2      PRO  34  34.842   6.563 -10.766
  231   2HB   PRO  34           HB1      PRO  34  36.220   5.449 -10.644
  232   1HG   PRO  34           HG2      PRO  34  33.583   5.349  -9.241
  233   2HG   PRO  34           HG1      PRO  34  34.494   4.041 -10.017
  234   1HD   PRO  34           HD2      PRO  34  34.521   4.366  -7.357
  235   2HD   PRO  34           HD1      PRO  34  35.973   3.835  -8.237
  236    H    ASN  35           HN       ASN  35  36.755   9.219  -9.155
  237    HA   ASN  35           HA       ASN  35  34.307  10.357  -7.937
  238   1HB   ASN  35           HB2      ASN  35  37.063  10.952  -8.028
  239   2HB   ASN  35           HB1      ASN  35  36.271  12.246  -8.928
  240   1HD2  ASN  35          HD22      ASN  35  36.179  12.528  -5.008
  241   2HD2  ASN  35          HD21      ASN  35  37.367  11.739  -5.928
  242    H    GLN  36           HN       GLN  36  34.850   9.227 -10.893
  243    HA   GLN  36           HA       GLN  36  34.288  11.478 -12.630
  244   1HB   GLN  36           HB2      GLN  36  33.869   8.493 -13.002
  245   2HB   GLN  36           HB1      GLN  36  33.994   9.691 -14.291
  246   1HG   GLN  36           HG2      GLN  36  36.276  10.052 -13.919
  247   2HG   GLN  36           HG1      GLN  36  36.203   9.437 -12.267
  248   1HE2  GLN  36          HE22      GLN  36  36.820   6.858 -15.354
  249   2HE2  GLN  36          HE21      GLN  36  36.548   8.509 -15.638
   
  No H/Q in entry =         249
  Start of MODEL   36
    1   1H    GLU   1           HT2      GLU   1  18.023  10.024   7.540
    2   2H    GLU   1           HT1      GLU   1  18.212   8.734   8.630
    3   3H    GLU   1           HT3      GLU   1  18.486  10.327   9.147
    4    HA   GLU   1           HA       GLU   1  20.426  10.520   7.750
    5   1HB   GLU   1           HB2      GLU   1  20.161   9.199  10.068
    6   2HB   GLU   1           HB1      GLU   1  20.713   7.853   9.069
    7   1HG   GLU   1           HG2      GLU   1  22.767   8.687   9.697
    8   2HG   GLU   1           HG1      GLU   1  22.495   9.689   8.272
    9    H    ILE   2           HN       ILE   2  18.893   7.298   7.498
   10    HA   ILE   2           HA       ILE   2  19.866   7.118   4.685
   11    HB   ILE   2           HB       ILE   2  20.463   5.275   6.987
   12   1HG1  ILE   2          HG12      ILE   2  22.041   6.783   4.913
   13   2HG1  ILE   2          HG11      ILE   2  22.250   6.775   6.663
   14   1HG2  ILE   2          HG21      ILE   2  20.560   4.584   4.047
   15   2HG2  ILE   2          HG23      ILE   2  21.270   3.607   5.327
   16   3HG2  ILE   2          HG22      ILE   2  19.525   3.841   5.268
   17   1HD1  ILE   2          HD13      ILE   2  22.936   4.338   6.467
   18   2HD1  ILE   2          HD12      ILE   2  22.951   4.558   4.718
   19   3HD1  ILE   2          HD11      ILE   2  24.059   5.482   5.732
   20    H    SER   3           HN       SER   3  18.891   5.144   3.652
   21    HA   SER   3           HA       SER   3  16.700   3.730   4.772
   22   1HB   SER   3           HB2      SER   3  15.147   5.191   3.006
   23   2HB   SER   3           HB1      SER   3  15.202   5.458   4.746
   24    HG   SER   3           HG       SER   3  15.815   7.379   4.059
   25    H    CYS   4           HN       CYS   4  16.149   2.035   3.338
   26    HA   CYS   4           HA       CYS   4  16.351   2.172   0.483
   27   1HB   CYS   4           HB2      CYS   4  18.535   0.761   0.422
   28   2HB   CYS   4           HB1      CYS   4  18.672   2.495   0.692
   29    H    GLU   5           HN       GLU   5  16.616  -0.150  -0.461
   30    HA   GLU   5           HA       GLU   5  14.622  -1.879   0.382
   31   1HB   GLU   5           HB2      GLU   5  16.262  -1.900  -1.646
   32   2HB   GLU   5           HB1      GLU   5  17.288  -2.894  -0.610
   33   1HG   GLU   5           HG2      GLU   5  16.004  -4.498  -1.742
   34   2HG   GLU   5           HG1      GLU   5  15.120  -4.299  -0.228
   35    HA   PRO   6           HA       PRO   6  16.496  -2.700   4.419
   36   1HB   PRO   6           HB2      PRO   6  14.207  -3.820   5.461
   37   2HB   PRO   6           HB1      PRO   6  14.511  -2.072   5.408
   38   1HG   PRO   6           HG2      PRO   6  12.908  -3.765   3.542
   39   2HG   PRO   6           HG1      PRO   6  12.525  -2.177   4.233
   40   1HD   PRO   6           HD2      PRO   6  13.436  -2.424   1.724
   41   2HD   PRO   6           HD1      PRO   6  13.906  -1.050   2.753
   42    H    GLY   7           HN       GLY   7  17.786  -4.465   4.596
   43   1HA   GLY   7           HA2      GLY   7  18.130  -6.819   4.979
   44   2HA   GLY   7           HA1      GLY   7  16.614  -7.150   4.141
   45    H    LYS   8           HN       LYS   8  17.883  -4.991   2.131
   46    HA   LYS   8           HA       LYS   8  19.227  -7.116   0.517
   47   1HB   LYS   8           HB2      LYS   8  17.618  -4.660  -0.045
   48   2HB   LYS   8           HB1      LYS   8  18.777  -5.200  -1.259
   49   1HG   LYS   8           HG2      LYS   8  16.664  -6.251  -1.764
   50   2HG   LYS   8           HG1      LYS   8  17.734  -7.494  -1.116
   51   1HD   LYS   8           HD2      LYS   8  16.709  -7.104   1.144
   52   2HD   LYS   8           HD1      LYS   8  15.548  -6.021   0.378
   53   1HE   LYS   8           HE2      LYS   8  15.829  -8.685  -0.904
   54   2HE   LYS   8           HE1      LYS   8  15.077  -8.676   0.704
   55   1HZ   LYS   8           HZ2      LYS   8  13.629  -6.875  -0.033
   56   2HZ   LYS   8           HZ1      LYS   8  14.316  -6.940  -1.586
   57   3HZ   LYS   8           HZ3      LYS   8  13.420  -8.255  -1.001
   58    H    THR   9           HN       THR   9  20.779  -5.946  -1.158
   59    HA   THR   9           HA       THR   9  22.626  -4.187   0.412
   60    HB   THR   9           HB       THR   9  23.396  -6.267  -1.643
   61    HG1  THR   9           HG1      THR   9  23.672  -6.735   1.087
   62   1HG2  THR   9          HG23      THR   9  25.033  -4.470  -1.011
   63   2HG2  THR   9          HG22      THR   9  24.961  -5.059   0.650
   64   3HG2  THR   9          HG21      THR   9  25.583  -6.101  -0.630
   65    H    PHE  10           HN       PHE  10  24.065  -2.867  -0.985
   66    HA   PHE  10           HA       PHE  10  23.356  -2.522  -3.799
   67   1HB   PHE  10           HB2      PHE  10  22.640  -0.111  -3.380
   68   2HB   PHE  10           HB1      PHE  10  21.496  -1.351  -2.894
   69    HD1  PHE  10           HD1      PHE  10  24.277  -1.314  -0.618
   70    HD2  PHE  10           HD2      PHE  10  20.641   0.748  -1.597
   71    HE1  PHE  10           HE1      PHE  10  24.161  -0.416   1.668
   72    HE2  PHE  10           HE2      PHE  10  20.574   1.684   0.687
   73    HZ   PHE  10           HZ       PHE  10  22.352   1.109   2.308
   74    H    LYS  11           HN       LYS  11  24.309   0.032  -4.170
   75    HA   LYS  11           HA       LYS  11  27.193  -0.301  -3.443
   76   1HB   LYS  11           HB2      LYS  11  26.247  -0.219  -5.846
   77   2HB   LYS  11           HB1      LYS  11  25.957   1.494  -5.547
   78   1HG   LYS  11           HG2      LYS  11  28.092   1.859  -6.167
   79   2HG   LYS  11           HG1      LYS  11  28.576   1.070  -4.666
   80   1HD   LYS  11           HD2      LYS  11  29.689  -0.033  -6.533
   81   2HD   LYS  11           HD1      LYS  11  28.490  -1.131  -5.849
   82   1HE   LYS  11           HE2      LYS  11  26.868  -0.207  -7.632
   83   2HE   LYS  11           HE1      LYS  11  28.314   0.458  -8.418
   84   1HZ   LYS  11           HZ3      LYS  11  29.190  -1.963  -7.851
   85   2HZ   LYS  11           HZ2      LYS  11  27.537  -2.328  -8.011
   86   3HZ   LYS  11           HZ1      LYS  11  28.383  -1.616  -9.302
   87    H    ASP  12           HN       ASP  12  24.724   2.261  -3.885
   88    HA   ASP  12           HA       ASP  12  24.466   4.347  -2.820
   89   1HB   ASP  12           HB2      ASP  12  24.248   2.764  -0.922
   90   2HB   ASP  12           HB1      ASP  12  25.994   2.829  -0.684
   91    H    LYS  13           HN       LYS  13  27.342   4.080  -0.908
   92    HA   LYS  13           HA       LYS  13  28.543   6.419  -1.913
   93   1HB   LYS  13           HB2      LYS  13  29.880   4.014  -0.639
   94   2HB   LYS  13           HB1      LYS  13  30.455   5.680  -0.592
   95   1HG   LYS  13           HG2      LYS  13  27.694   5.437   0.336
   96   2HG   LYS  13           HG1      LYS  13  28.816   4.479   1.305
   97   1HD   LYS  13           HD2      LYS  13  30.121   6.934   0.837
   98   2HD   LYS  13           HD1      LYS  13  28.459   7.350   1.254
   99   1HE   LYS  13           HE2      LYS  13  29.392   7.181   3.387
  100   2HE   LYS  13           HE1      LYS  13  28.862   5.503   3.153
  101   1HZ   LYS  13           HZ2      LYS  13  31.143   5.320   1.935
  102   2HZ   LYS  13           HZ1      LYS  13  31.557   6.649   2.911
  103   3HZ   LYS  13           HZ3      LYS  13  31.071   5.190   3.628
  104    H    CYS  14           HN       CYS  14  31.261   5.542  -2.408
  105    HA   CYS  14           HA       CYS  14  30.980   4.792  -5.259
  106   1HB   CYS  14           HB2      CYS  14  33.338   5.467  -5.352
  107   2HB   CYS  14           HB1      CYS  14  32.407   6.687  -4.479
  108    H    ASN  15           HN       ASN  15  31.151   3.038  -2.462
  109    HA   ASN  15           HA       ASN  15  32.819   0.929  -3.761
  110   1HB   ASN  15           HB2      ASN  15  32.569   1.974  -0.963
  111   2HB   ASN  15           HB1      ASN  15  33.033   0.283  -1.199
  112   1HD2  ASN  15          HD22      ASN  15  35.909   2.930  -1.597
  113   2HD2  ASN  15          HD21      ASN  15  34.526   3.106  -0.628
  114    H    THR  16           HN       THR  16  31.373  -0.282  -0.971
  115    HA   THR  16           HA       THR  16  28.870  -0.988  -2.443
  116    HB   THR  16           HB       THR  16  29.917  -3.339  -1.234
  117    HG1  THR  16           HG1      THR  16  31.630  -2.459  -3.254
  118   1HG2  THR  16          HG22      THR  16  29.401  -2.419  -4.066
  119   2HG2  THR  16          HG21      THR  16  29.841  -4.078  -3.660
  120   3HG2  THR  16          HG23      THR  16  28.341  -3.387  -3.041
  121    H    CYS  17           HN       CYS  17  27.196  -0.792  -1.085
  122    HA   CYS  17           HA       CYS  17  27.682  -1.114   1.833
  123   1HB   CYS  17           HB2      CYS  17  25.498   0.367   0.389
  124   2HB   CYS  17           HB1      CYS  17  25.776   0.350   2.130
  125    H    ARG  18           HN       ARG  18  25.532  -1.690   2.995
  126    HA   ARG  18           HA       ARG  18  23.975  -3.745   1.515
  127   1HB   ARG  18           HB2      ARG  18  25.800  -4.954   2.543
  128   2HB   ARG  18           HB1      ARG  18  25.587  -4.082   4.062
  129   1HG   ARG  18           HG2      ARG  18  23.146  -5.084   3.939
  130   2HG   ARG  18           HG1      ARG  18  23.910  -6.272   2.882
  131   1HD   ARG  18           HD2      ARG  18  25.503  -5.758   5.285
  132   2HD   ARG  18           HD1      ARG  18  23.886  -6.387   5.660
  133    HE   ARG  18           HE       ARG  18  25.695  -7.709   3.668
  134   1HH1  ARG  18          HH21      ARG  18  22.634  -8.053   4.756
  135   2HH1  ARG  18          HH22      ARG  18  22.824  -9.625   5.458
  136   1HH2  ARG  18          HH11      ARG  18  26.283  -9.608   5.207
  137   2HH2  ARG  18          HH12      ARG  18  24.890 -10.506   5.714
  138    H    CYS  19           HN       CYS  19  22.019  -2.513   1.723
  139    HA   CYS  19           HA       CYS  19  21.254  -0.929   3.924
  140   1HB   CYS  19           HB2      CYS  19  20.214  -1.262   1.608
  141   2HB   CYS  19           HB1      CYS  19  19.381  -2.668   2.298
  142    H    GLY  20           HN       GLY  20  21.160  -1.538   6.022
  143   1HA   GLY  20           HA2      GLY  20  21.145  -4.228   6.943
  144   2HA   GLY  20           HA1      GLY  20  20.783  -2.823   7.942
  145    H    ALA  21           HN       ALA  21  19.372  -4.944   8.615
  146    HA   ALA  21           HA       ALA  21  17.076  -5.822   7.382
  147   1HB   ALA  21           HB3      ALA  21  18.033  -5.348  10.084
  148   2HB   ALA  21           HB2      ALA  21  16.286  -5.129   9.994
  149   3HB   ALA  21           HB1      ALA  21  17.012  -6.654   9.485
  150    H    ASP  22           HN       ASP  22  16.574  -3.221   9.748
  151    HA   ASP  22           HA       ASP  22  14.225  -2.190   8.558
  152   1HB   ASP  22           HB2      ASP  22  14.690  -0.245   9.998
  153   2HB   ASP  22           HB1      ASP  22  15.094  -1.734  10.852
  154    H    GLY  23           HN       GLY  23  13.888  -0.515   7.022
  155   1HA   GLY  23           HA2      GLY  23  16.084  -0.091   5.135
  156   2HA   GLY  23           HA1      GLY  23  14.439   0.518   4.962
  157    H    LYS  24           HN       LYS  24  17.393   1.052   6.911
  158    HA   LYS  24           HA       LYS  24  17.163   3.942   6.507
  159   1HB   LYS  24           HB2      LYS  24  16.297   2.534   8.993
  160   2HB   LYS  24           HB1      LYS  24  17.150   4.066   9.185
  161   1HG   LYS  24           HG2      LYS  24  15.213   5.128   8.750
  162   2HG   LYS  24           HG1      LYS  24  15.292   4.488   7.108
  163   1HD   LYS  24           HD2      LYS  24  14.050   2.511   7.749
  164   2HD   LYS  24           HD1      LYS  24  14.113   2.971   9.451
  165   1HE   LYS  24           HE2      LYS  24  12.936   5.178   8.609
  166   2HE   LYS  24           HE1      LYS  24  12.464   4.158   7.235
  167   1HZ   LYS  24           HZ1      LYS  24  11.924   2.450   9.082
  168   2HZ   LYS  24           HZ3      LYS  24  11.852   3.808  10.095
  169   3HZ   LYS  24           HZ2      LYS  24  10.812   3.693   8.756
  170    H    SER  25           HN       SER  25  19.121   1.491   6.446
  171    HA   SER  25           HA       SER  25  21.423   3.090   7.062
  172   1HB   SER  25           HB2      SER  25  22.093   1.302   8.917
  173   2HB   SER  25           HB1      SER  25  21.096   2.692   9.336
  174    HG   SER  25           HG       SER  25  19.421   1.417   9.578
  175    H    ALA  26           HN       ALA  26  23.450   1.395   7.104
  176    HA   ALA  26           HA       ALA  26  23.075  -1.137   5.800
  177   1HB   ALA  26           HB3      ALA  26  22.556   1.022   4.178
  178   2HB   ALA  26           HB2      ALA  26  24.250   0.691   3.813
  179   3HB   ALA  26           HB1      ALA  26  23.040  -0.568   3.595
  180    H    ALA  27           HN       ALA  27  24.973  -2.263   6.165
  181    HA   ALA  27           HA       ALA  27  27.366  -0.805   7.063
  182   1HB   ALA  27           HB2      ALA  27  26.318  -3.303   7.485
  183   2HB   ALA  27           HB1      ALA  27  27.573  -3.650   6.295
  184   3HB   ALA  27           HB3      ALA  27  27.996  -2.867   7.817
  185    H    CYS  28           HN       CYS  28  29.181  -0.406   5.738
  186    HA   CYS  28           HA       CYS  28  28.890  -1.336   2.923
  187   1HB   CYS  28           HB2      CYS  28  28.359   1.101   3.665
  188   2HB   CYS  28           HB1      CYS  28  30.099   1.292   3.684
  189    H    THR  29           HN       THR  29  31.024  -0.697   1.712
  190    HA   THR  29           HA       THR  29  33.400  -1.499   3.311
  191    HB   THR  29           HB       THR  29  31.973  -3.248   1.756
  192    HG1  THR  29           HG1      THR  29  33.521  -4.183   2.836
  193   1HG2  THR  29          HG22      THR  29  32.590  -1.808  -0.257
  194   2HG2  THR  29          HG21      THR  29  34.251  -2.349  -0.011
  195   3HG2  THR  29          HG23      THR  29  32.988  -3.521  -0.386
  196    H    LEU  30           HN       LEU  30  35.396  -0.884   2.161
  197    HA   LEU  30           HA       LEU  30  34.937   1.511   0.442
  198   1HB   LEU  30           HB2      LEU  30  37.304   0.889   2.215
  199   2HB   LEU  30           HB1      LEU  30  36.842   2.453   1.547
  200    HG   LEU  30           HG       LEU  30  34.945   0.960   3.351
  201   1HD1  LEU  30          HD11      LEU  30  37.530   2.110   4.070
  202   2HD1  LEU  30          HD13      LEU  30  36.192   2.859   4.942
  203   3HD1  LEU  30          HD12      LEU  30  36.438   1.115   5.031
  204   1HD2  LEU  30          HD23      LEU  30  35.345   3.755   2.341
  205   2HD2  LEU  30          HD22      LEU  30  33.862   2.807   2.445
  206   3HD2  LEU  30          HD21      LEU  30  34.557   3.519   3.901
  207    H    LYS  31           HN       LYS  31  35.016  -0.439  -1.282
  208    HA   LYS  31           HA       LYS  31  37.674  -1.451  -1.951
  209   1HB   LYS  31           HB2      LYS  31  35.022  -2.002  -2.582
  210   2HB   LYS  31           HB1      LYS  31  35.652  -1.306  -4.075
  211   1HG   LYS  31           HG2      LYS  31  37.697  -2.989  -3.295
  212   2HG   LYS  31           HG1      LYS  31  36.257  -3.891  -2.821
  213   1HD   LYS  31           HD2      LYS  31  36.490  -2.615  -5.547
  214   2HD   LYS  31           HD1      LYS  31  37.114  -4.234  -5.230
  215   1HE   LYS  31           HE2      LYS  31  34.375  -3.797  -4.218
  216   2HE   LYS  31           HE1      LYS  31  34.525  -3.718  -5.985
  217   1HZ   LYS  31           HZ3      LYS  31  36.021  -5.806  -4.590
  218   2HZ   LYS  31           HZ2      LYS  31  34.340  -6.017  -4.719
  219   3HZ   LYS  31           HZ1      LYS  31  35.287  -5.841  -6.119
  220    H    ALA  32           HN       ALA  32  37.785  -0.894  -4.708
  221    HA   ALA  32           HA       ALA  32  38.926   1.779  -4.698
  222   1HB   ALA  32           HB2      ALA  32  38.762  -0.566  -6.405
  223   2HB   ALA  32           HB1      ALA  32  38.550   0.913  -7.343
  224   3HB   ALA  32           HB3      ALA  32  39.999   0.692  -6.361
  225    H    CYS  33           HN       CYS  33  38.074   3.648  -5.688
  226    HA   CYS  33           HA       CYS  33  35.175   3.520  -6.442
  227   1HB   CYS  33           HB2      CYS  33  36.829   5.663  -5.067
  228   2HB   CYS  33           HB1      CYS  33  35.141   5.864  -5.531
  229    HA   PRO  34           HA       PRO  34  37.238   4.722 -10.297
  230   1HB   PRO  34           HB2      PRO  34  34.988   4.343 -11.833
  231   2HB   PRO  34           HB1      PRO  34  36.092   3.031 -11.367
  232   1HG   PRO  34           HG2      PRO  34  33.505   3.853 -10.115
  233   2HG   PRO  34           HG1      PRO  34  34.101   2.228 -10.500
  234   1HD   PRO  34           HD2      PRO  34  34.218   3.190  -8.005
  235   2HD   PRO  34           HD1      PRO  34  35.521   2.169  -8.662
  236    H    ASN  35           HN       ASN  35  36.904   6.564 -11.740
  237    HA   ASN  35           HA       ASN  35  35.019   8.614 -10.617
  238   1HB   ASN  35           HB2      ASN  35  37.250   9.263 -10.117
  239   2HB   ASN  35           HB1      ASN  35  37.842   8.730 -11.690
  240   1HD2  ASN  35          HD22      ASN  35  37.478  11.975 -12.984
  241   2HD2  ASN  35          HD21      ASN  35  38.388  10.545 -12.905
  242    H    GLN  36           HN       GLN  36  33.750   9.731 -12.124
  243    HA   GLN  36           HA       GLN  36  32.943   8.662 -14.540
  244   1HB   GLN  36           HB2      GLN  36  32.162  10.940 -15.046
  245   2HB   GLN  36           HB1      GLN  36  31.956  10.600 -13.327
  246   1HG   GLN  36           HG2      GLN  36  33.102  12.514 -12.963
  247   2HG   GLN  36           HG1      GLN  36  34.534  11.612 -13.462
  248   1HE2  GLN  36          HE22      GLN  36  34.149  14.687 -15.621
  249   2HE2  GLN  36          HE21      GLN  36  34.226  14.454 -13.942
   
  No H/Q in entry =         249
   
  No H/Q in entry =         249