*HEADER   POTASSIUM CHANNEL BLOCKER               24-SEP-97   1AV3    
*TITLE    POTASSIUM CHANNEL BLOCKER KAPPA CONOTOXIN PVIIA FROM        
*TITLE   2 C. PURPURASCENS, NMR, 20 STRUCTURES                        
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: KAPPA-PVIIA;                                     
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: CONUS PURPURASCENS                    
*KEYWDS   KAPPA-CONOTOXIN, POTASSIUM CHANNEL BLOCKER, CYSTINE KNOT    
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   M.J.SCANLON,D.NARANJO,L.THOMAS,P.F.ALEWOOD,R.J.LEWIS,       
*AUTHOR  2 D.J.CRAIK                                                  
*REVDAT  2   18-NOV-98 1AV3A   2       COMPND REMARK TITLE  JRNL      
*REVDAT  2 2                   2       HEADER MODRES CONECT           
*REVDAT  1   14-OCT-98 1AV3    0                                      
 
!Distance restraints from 250ms mixing time NOESY in H2O @298K
!ARG 2
assign (resid   2 and  name    hn)(resid   1 and  name    ha) 0 0 2.7 
assign (resid   2 and  name    hn)(resid   1 and  name   hb*) 0 0 4.5 
assign (resid   2 and  name    he)(resid   2 and  name   hb*) 0 0 7.0 
assign (resid   2 and  name    he)(resid   2 and  name   hd*) 0 0 4.5 
assign (resid   2 and  name    he)(resid   2 and  name   hg*) 0 0 4.5 
assign (resid   2 and  name    hn)(resid   2 and  name    ha) 0 0 5.0 
assign (resid   2 and  name    hn)(resid   2 and  name   hb*) 0 0 4.5 
assign (resid   2 and  name    hn)(resid   2 and  name   hg*) 0 0 4.5 
assign (resid   2 and  name    hn)(resid   3 and  name    hn) 0 0 6.0 
assign (resid   2 and  name    hn)(resid  14 and  name   hb1) 0 0 6.0 
assign (resid   2 and  name    hn)(resid  14 and  name   hb2) 0 0 6.0 
assign (resid   2 and  name    hn)(resid  15 and  name    ha) 0 0 3.5 
assign (resid   2 and  name    hn)(resid  16 and  name    ha) 0 0 6.0 
!ILE 3
assign (resid   3 and  name    hn)(resid   2 and  name    ha) 0 0 3.5 
assign (resid   3 and  name    hn)(resid   2 and  name    he) 0 0 6.0 
assign (resid   3 and  name    hn)(resid   2 and  name   hb*) 0 0 7.0 
assign (resid   3 and  name    hn)(resid   2 and  name   hd*) 0 0 6.0 
assign (resid   3 and  name    hn)(resid   2 and  name   hg*) 0 0 4.5 
assign (resid   3 and  name    hn)(resid   3 and  name    ha) 0 0 3.5 
assign (resid   3 and  name    hn)(resid   3 and  name    hb) 0 0 3.5 
assign (resid   3 and  name    hn)(resid   3 and  name   hd*) 0 0 4.2 
assign (resid   3 and  name    hn)(resid   3 and  name  hg1*) 0 0 3.7 
assign (resid   3 and  name    hn)(resid   3 and  name  hg2*) 0 0 4.2 
assign (resid   3 and  name    hn)(resid   4 and  name  hd1*) 0 0 6.0 
!ASN 5
assign (resid   5 and  name    hn)(resid   4 and  name    ha) 0 0 2.7 
assign (resid   5 and  name    hn)(resid   4 and  name   hb*) 0 0 4.5 
assign (resid   5 and  name    hn)(resid   4 and  name  hd1*) 0 0 6.0 
assign (resid   5 and  name    hn)(resid   5 and  name    ha) 0 0 2.7 
assign (resid   5 and  name    hn)(resid   5 and  name   hb*) 0 0 6.0 
assign (resid   5 and  name  hd21)(resid   5 and  name   hb*) 0 0 6.0 
assign (resid   5 and  name  hd22)(resid   5 and  name   hb*) 0 0 6.0 
assign (resid   5 and  name    hn)(resid   6 and  name    hn) 0 0 3.5 
assign (resid   5 and  name    hn)(resid  26 and  name    hn) 0 0 3.5 
assign (resid   5 and  name    hn)(resid  26 and  name   hb1) 0 0 3.5 
assign (resid   5 and  name    hn)(resid  26 and  name   hb2) 0 0 3.5 
!GLN 6
assign (resid   6 and  name    hn)(resid   3 and  name  hg1*) 0 0 4.5 
assign (resid   6 and  name  he21)(resid   3 and  name   hd*) 0 0 6.5 
assign (resid   6 and  name  he21)(resid   3 and  name  hg1*) 0 0 7.0 
assign (resid   6 and  name  he21)(resid   3 and  name  hg2*) 0 0 7.5 
assign (resid   6 and  name  he22)(resid   3 and  name  hg1*) 0 0 7.0 
assign (resid   6 and  name  he22)(resid   3 and  name  hg2*) 0 0 7.5 
assign (resid   6 and  name    hn)(resid   4 and  name    ha) 0 0 3.5 
assign (resid   6 and  name    hn)(resid   5 and  name   hb*) 0 0 7.0 
assign (resid   6 and  name    hn)(resid   5 and  name    ha) 0 0 3.5 
assign (resid   6 and  name    hn)(resid   6 and  name    ha) 0 0 3.5 
assign (resid   6 and  name    hn)(resid   6 and  name   hb*) 0 0 3.7 
assign (resid   6 and  name    hn)(resid   6 and  name   hg*) 0 0 4.5 
assign (resid   6 and  name  he21)(resid   6 and  name   hg*) 0 0 6.0 
assign (resid   6 and  name  he22)(resid   6 and  name   hg*) 0 0 6.0 
assign (resid   6 and  name    hn)(resid  26 and  name   hb1) 0 0 5.0 
assign (resid   6 and  name    hn)(resid  26 and  name   hb2) 0 0 3.5 
!LYS 7
assign (resid   7 and  name    hn)(resid   6 and  name    ha) 0 0 2.7 
assign (resid   7 and  name    hn)(resid   6 and  name    hn) 0 0 6.0 
assign (resid   7 and  name    hn)(resid   6 and  name   hg*) 0 0 4.5 
assign (resid   7 and  name    hn)(resid   7 and  name    ha) 0 0 3.5 
assign (resid   7 and  name    hn)(resid   7 and  name   hb*) 0 0 3.7 
assign (resid   7 and  name    hn)(resid   7 and  name   hg*) 0 0 4.5 
assign (resid   7 and  name    hn)(resid   8 and  name    hn) 0 0 5.0 
assign (resid   7 and  name    hn)(resid  25 and  name    ha) 0 0 6.0 
!CYS 8
assign (resid   8 and  name    hn)(resid   7 and  name    ha) 0 0 2.7 
assign (resid   8 and  name    hn)(resid   7 and  name   hb*) 0 0 4.5 
assign (resid   8 and  name    hn)(resid   7 and  name   hd*) 0 0 4.5 
assign (resid   8 and  name    hn)(resid   7 and  name   hg*) 0 0 6.0 
assign (resid   8 and  name    hn)(resid   8 and  name    ha) 0 0 6.0 
assign (resid   8 and  name    hn)(resid   8 and  name   hb*) 0 0 4.5 
assign (resid   8 and  name    hn)(resid  24 and  name    ha) 0 0 5.0 
assign (resid   8 and  name    hn)(resid  24 and  name   hb*) 0 0 4.5 
assign (resid   8 and  name    hn)(resid  25 and  name    ha) 0 0 3.5 
!PHE 9
assign (resid   9 and  name    hn)(resid   8 and  name    ha) 0 0 3.5
assign (resid   9 and  name    hn)(resid   8 and  name   hb*) 0 0 4.5 
assign (resid   9 and  name    hn)(resid   9 and  name   hb*) 0 0 4.5 
assign (resid   9 and  name    hn)(resid   9 and  name   hd*) 0 0 7.2 
assign (resid   9 and  name   hd*)(resid   9 and  name   hb*) 0 0 5.9 
assign (resid   9 and  name   he*)(resid   9 and  name   hb*) 0 0 8.2 
assign (resid   9 and  name   hd*)(resid  12 and  name   hb*) 0 0 8.5 
assign (resid   9 and  name   hd*)(resid  12 and  name   hd*) 0 0 10.0
!GLN 10
assign (resid  10 and  name    hn)(resid   9 and  name    hn) 0 0 5.0 
assign (resid  10 and  name    hn)(resid   9 and  name    ha) 0 0 3.5
assign (resid  10 and  name    hn)(resid   9 and  name   hb*) 0 0 4.5 
assign (resid  10 and  name    hn)(resid   9 and  name   hd*) 0 0 7.2 
assign (resid  10 and  name    hn)(resid  10 and  name    ha) 0 0 2.7 
assign (resid  10 and  name    hn)(resid  10 and  name   hb*) 0 0 3.7 
assign (resid  10 and  name    hn)(resid  10 and  name   hg*) 0 0 3.7 
assign (resid  10 and  name    hn)(resid  10 and  name  he21) 0 0 5.0 
assign (resid  10 and  name  he21)(resid  10 and  name    ha) 0 0 6.0 
assign (resid  10 and  name  he21)(resid  10 and  name   hb*) 0 0 7.0 
assign (resid  10 and  name  he21)(resid  10 and  name   hg*) 0 0 3.7 
assign (resid  10 and  name  he22)(resid  10 and  name   hg*) 0 0 4.5 
assign (resid  10 and  name    hn)(resid  11 and  name    hn) 0 0 3.5 
assign (resid  10 and  name  he21)(resid  22 and  name    ha) 0 0 5.0 
assign (resid  10 and  name  he22)(resid  22 and  name    ha) 0 0 6.0
assign (resid  10 and  name  he22)(resid  24 and  name    ha) 0 0 6.0 
!HIS 11
assign (resid  11 and  name    hn)(resid  10 and  name    ha) 0 0 3.5 
assign (resid  11 and  name    hn)(resid  10 and  name   hb*) 0 0 4.5 
assign (resid  11 and  name    hn)(resid  10 and  name   hg*) 0 0 6.0 
assign (resid  11 and  name   hd2)(resid  10 and  name   hb*) 0 0 6.0 
assign (resid  11 and  name    hn)(resid  11 and  name    ha) 0 0 3.5 
assign (resid  11 and  name    hn)(resid  11 and  name   hb*) 0 0 4.5 
assign (resid  11 and  name    hn)(resid  11 and  name   hd2) 0 0 5.0 
assign (resid  11 and  name   hd2)(resid  11 and  name   hb*) 0 0 6.0 
assign (resid  11 and  name    hn)(resid  12 and  name    hn) 0 0 3.5 
!LEU 12
assign (resid  12 and  name    hn)(resid  10 and  name    ha) 0 0 5.0
assign (resid  12 and  name    hn)(resid  10 and  name    hn) 0 0 5.0 
assign (resid  12 and  name    hn)(resid  11 and  name    ha) 0 0 3.5 
assign (resid  12 and  name    hn)(resid  11 and  name   hb*) 0 0 6.0 
assign (resid  12 and  name    hn)(resid  12 and  name    ha) 0 0 3.5 
assign (resid  12 and  name    hn)(resid  12 and  name    hg) 0 0 3.5 
assign (resid  12 and  name    hn)(resid  12 and  name   hb*) 0 0 4.5 
assign (resid  12 and  name    hn)(resid  12 and  name   hd*) 0 0 7.5 
!ASP 13
assign (resid  13 and  name    hn)(resid  12 and  name    ha) 0 0 2.7 
assign (resid  13 and  name    hn)(resid  12 and  name    hg) 0 0 6.0 
assign (resid  13 and  name    hn)(resid  12 and  name    hn) 0 0 3.5 
assign (resid  13 and  name    hn)(resid  12 and  name   hb*) 0 0 4.5 
assign (resid  13 and  name    hn)(resid  12 and  name   hd*) 0 0 7.5 
assign (resid  13 and  name    hn)(resid  13 and  name   hb*) 0 0 4.5 
!ASP 14
assign (resid  14 and  name    hn)(resid  12 and  name    ha) 0 0 5.0
assign (resid  14 and  name    hn)(resid  12 and  name   hd*) 0 0 8.5 
assign (resid  14 and  name    hn)(resid  13 and  name    ha) 0 0 5.0
assign (resid  14 and  name    hn)(resid  13 and  name   hb*) 0 0 6.0 
assign (resid  14 and  name    hn)(resid  14 and  name   hb1) 0 0 3.5 
assign (resid  14 and  name    hn)(resid  14 and  name   hb2) 0 0 3.5 
!CYS 15
assign (resid  15 and  name    hn)(resid   2 and  name   hb*) 0 0 6.0 
assign (resid  15 and  name    hn)(resid   2 and  name   hg*) 0 0 7.0 
assign (resid  15 and  name    hn)(resid  14 and  name    ha) 0 0 3.5
assign (resid  15 and  name    hn)(resid  14 and  name   hb2) 0 0 6.0
assign (resid  15 and  name    hn)(resid  15 and  name    ha) 0 0 3.5 
assign (resid  15 and  name    hn)(resid  15 and  name   hb1) 0 0 3.5 
assign (resid  15 and  name    hn)(resid  15 and  name   hb2) 0 0 2.7 
assign (resid  15 and  name    hn)(resid  18 and  name    ha) 0 0 6.0 
assign (resid  15 and  name    hn)(resid  18 and  name    hn) 0 0 5.0 
!CYS 16
assign (resid  16 and  name    hn)(resid   2 and  name    hn) 0 0 3.5 
assign (resid  16 and  name    hn)(resid   2 and  name   hb*) 0 0 7.0 
assign (resid  16 and  name    hn)(resid   2 and  name   hg*) 0 0 7.0 
assign (resid  16 and  name    hn)(resid   3 and  name    ha) 0 0 5.0 
!assign (resid  16 and  name    hn)(resid   4 and  name  hd1*) 0 0 7.0 
assign (resid  16 and  name    hn)(resid  15 and  name    ha) 0 0 3.5
assign (resid  16 and  name    hn)(resid  15 and  name    hn) 0 0 6.0 
assign (resid  16 and  name    hn)(resid  15 and  name   hb1) 0 0 3.5 
assign (resid  16 and  name    hn)(resid  15 and  name   hb2) 0 0 5.0 
assign (resid  16 and  name    hn)(resid  16 and  name    ha) 0 0 3.5 
assign (resid  16 and  name    hn)(resid  16 and  name   hb1) 0 0 3.5 
assign (resid  16 and  name    hn)(resid  16 and  name   hb2) 0 0 3.5 
assign (resid  16 and  name    hn)(resid  17 and  name    hn) 0 0 3.5 
assign (resid  16 and  name    hn)(resid  18 and  name    hn) 0 0 6.0 
!SER 17
assign (resid  17 and  name    hn)(resid  15 and  name   hb1) 0 0 3.5 
assign (resid  17 and  name    hn)(resid  15 and  name   hb2) 0 0 3.5 
assign (resid  17 and  name    hn)(resid  16 and  name    ha) 0 0 3.5 
assign (resid  17 and  name    hn)(resid  16 and  name   hb1) 0 0 3.5 
assign (resid  17 and  name    hn)(resid  16 and  name   hb2) 0 0 3.5 
assign (resid  17 and  name    hn)(resid  17 and  name    ha) 0 0 3.5 
assign (resid  17 and  name    hn)(resid  17 and  name   hb1) 0 0 2.7 
assign (resid  17 and  name    hn)(resid  17 and  name   hb2) 0 0 3.5 
assign (resid  17 and  name    hn)(resid  18 and  name    hn) 0 0 2.7 
assign (resid  17 and  name    hn)(resid  18 and  name   hg*) 0 0 7.0 
assign (resid  17 and  name    hn)(resid  19 and  name    hn) 0 0 5.0 
!ARG 18
assign (resid  18 and  name    hn)(resid   1 and  name   hb*) 0 0 7.0
assign (resid  18 and  name    hn)(resid   2 and  name    hn) 0 0 6.0
assign (resid  18 and  name    hn)(resid  15 and  name   hb1) 0 0 3.5 
assign (resid  18 and  name    hn)(resid  15 and  name   hb2) 0 0 3.5 
assign (resid  18 and  name    hn)(resid  16 and  name    ha) 0 0 5.0 
assign (resid  18 and  name    hn)(resid  17 and  name    ha) 0 0 3.5 
assign (resid  18 and  name    he)(resid  18 and  name   hb*) 0 0 7.0 
assign (resid  18 and  name    he)(resid  18 and  name   hd*) 0 0 4.5 
assign (resid  18 and  name    he)(resid  18 and  name   hg*) 0 0 7.0 
assign (resid  18 and  name    hn)(resid  18 and  name    ha) 0 0 2.7 
assign (resid  18 and  name    hn)(resid  18 and  name   hb*) 0 0 4.5 
assign (resid  18 and  name    hn)(resid  18 and  name   hg*) 0 0 4.5 
assign (resid  18 and  name    hn)(resid  19 and  name    hn) 0 0 3.5 
!LYS 19
assign (resid  19 and  name    hn)(resid  15 and  name   hb1) 0 0 3.5 
assign (resid  19 and  name    hn)(resid  15 and  name   hb2) 0 0 3.5 
assign (resid  19 and  name    hn)(resid  17 and  name    ha) 0 0 6.0
assign (resid  19 and  name    hn)(resid  17 and  name   hb1) 0 0 5.0 
assign (resid  19 and  name    hn)(resid  17 and  name   hb2) 0 0 5.0 
assign (resid  19 and  name    hn)(resid  18 and  name    ha) 0 0 3.5 
assign (resid  19 and  name    hn)(resid  18 and  name   hb*) 0 0 7.0 
assign (resid  19 and  name    hn)(resid  19 and  name    ha) 0 0 3.5 
assign (resid  19 and  name    hn)(resid  19 and  name   hb1) 0 0 3.5 
assign (resid  19 and  name    hn)(resid  19 and  name   hb2) 0 0 3.5 
assign (resid  19 and  name    hn)(resid  19 and  name   hg*) 0 0 4.5 
assign (resid  19 and  name    hn)(resid  27 and  name    hb) 0 0 6.0 
assign (resid  19 and  name    hn)(resid  27 and  name   hg*) 0 0 8.5 
!CYS 20
assign (resid  20 and  name    hn)(resid  19 and  name    ha) 0 0 2.7 
assign (resid  20 and  name    hn)(resid  19 and  name    hn) 0 0 5.0 
assign (resid  20 and  name    hn)(resid  19 and  name   hb1) 0 0 3.5 
assign (resid  20 and  name    hn)(resid  19 and  name   hb2) 0 0 5.0 
assign (resid  20 and  name    hn)(resid  19 and  name   hg*) 0 0 6.0 
assign (resid  20 and  name    hn)(resid  20 and  name    ha) 0 0 3.5 
assign (resid  20 and  name    hn)(resid  20 and  name   hb1) 0 0 3.5 
assign (resid  20 and  name    hn)(resid  20 and  name   hb2) 0 0 2.7 
assign (resid  20 and  name    hn)(resid  27 and  name   hg*) 0 0 8.5 
!ASN 21
assign (resid  21 and  name    hn)(resid  20 and  name    hn) 0 0 6.0 
assign (resid  21 and  name    hn)(resid  20 and  name    ha) 0 0 2.7
assign (resid  21 and  name    hn)(resid  20 and  name   hb2) 0 0 5.0
assign (resid  21 and  name    hn)(resid  21 and  name    ha) 0 0 3.5 
assign (resid  21 and  name    hn)(resid  21 and  name   hb*) 0 0 4.5 
assign (resid  21 and  name    hn)(resid  21 and  name  hd21) 0 0 5.0 
assign (resid  21 and  name    hn)(resid  21 and  name  hd22) 0 0 6.0 
assign (resid  21 and  name  hd21)(resid  21 and  name    ha) 0 0 6.0 
assign (resid  21 and  name  hd21)(resid  21 and  name   hb*) 0 0 3.7 
assign (resid  21 and  name  hd22)(resid  21 and  name   hb*) 0 0 4.5 
assign (resid  21 and  name    hn)(resid  22 and  name    hn) 0 0 6.0 
assign (resid  21 and  name    hn)(resid  23 and  name    hn) 0 0 6.0 
assign (resid  21 and  name    hn)(resid  24 and  name    ha) 0 0 6.0 
assign (resid  21 and  name    hn)(resid  24 and  name    hn) 0 0 5.0 
assign (resid  21 and  name    hn)(resid  25 and  name    hn) 0 0 3.5 
assign (resid  21 and  name    hn)(resid  25 and  name   hb1) 0 0 6.0
assign (resid  21 and  name    hn)(resid  25 and  name   hb2) 0 0 5.0 
assign (resid  21 and  name  hd22)(resid  25 and  name   hb1) 0 0 3.5 
assign (resid  21 and  name  hd22)(resid  25 and  name   hb2) 0 0 3.5 
assign (resid  21 and  name  hd22)(resid  25 and  name   hg*) 0 0 7.0 
assign (resid  21 and  name    hn)(resid  26 and  name    ha) 0 0 3.5 
assign (resid  21 and  name    hn)(resid  27 and  name    hn) 0 0 5.0 
assign (resid  21 and  name    hn)(resid  27 and  name   hg*) 0 0 6.0
assign (resid  21 and  name  hd21)(resid  27 and  name   hg*) 0 0 6.0 
assign (resid  21 and  name  hd22)(resid  27 and  name   hg*) 0 0 6.0 
!ARG 22
assign (resid  22 and  name    hn)(resid  21 and  name    ha) 0 0 2.7 
assign (resid  22 and  name    hn)(resid  21 and  name   hb*) 0 0 3.7 
assign (resid  22 and  name    hn)(resid  21 and  name  hd21) 0 0 5.0 
assign (resid  22 and  name    hn)(resid  21 and  name  hd22) 0 0 5.0 
assign (resid  22 and  name    he)(resid  22 and  name   hb1) 0 0 6.0 
assign (resid  22 and  name    he)(resid  22 and  name   hb2) 0 0 5.0 
assign (resid  22 and  name    he)(resid  22 and  name   hd*) 0 0 4.5 
assign (resid  22 and  name    he)(resid  22 and  name   hg*) 0 0 6.0 
assign (resid  22 and  name    hn)(resid  22 and  name    ha) 0 0 2.7 
assign (resid  22 and  name    hn)(resid  22 and  name   hb1) 0 0 2.7 
assign (resid  22 and  name    hn)(resid  22 and  name   hb2) 0 0 3.5 
assign (resid  22 and  name    hn)(resid  22 and  name   hd*) 0 0 6.0 
assign (resid  22 and  name    hn)(resid  22 and  name   hg*) 0 0 4.5 
assign (resid  22 and  name    hn)(resid  23 and  name    hn) 0 0 3.5 
assign (resid  22 and  name    hn)(resid  27 and  name   hg*) 0 0 8.5 
!PHE 23
assign (resid  23 and  name    hn)(resid  21 and  name   hb*) 0 0 6.0 
assign (resid  23 and  name    hn)(resid  21 and  name  hd21) 0 0 5.0 
assign (resid  23 and  name   hd*)(resid  21 and  name   hb*) 0 0 8.5
assign (resid  23 and  name    hn)(resid  22 and  name    ha) 0 0 3.5 
assign (resid  23 and  name    hn)(resid  22 and  name   hb1) 0 0 5.0 
assign (resid  23 and  name    hn)(resid  22 and  name   hb2) 0 0 5.0 
assign (resid  23 and  name    hn)(resid  22 and  name   hg*) 0 0 6.0 
assign (resid  23 and  name    hz)(resid  22 and  name   hd*) 0 0 6.0 
assign (resid  23 and  name    hz)(resid  22 and  name   hg*) 0 0 7.0 
assign (resid  23 and  name   hd*)(resid  22 and  name   hb1) 0 0 8.5 
assign (resid  23 and  name   hd*)(resid  22 and  name   hb2) 0 0 7.5 
assign (resid  23 and  name   hd*)(resid  22 and  name   hd*) 0 0 8.5 
assign (resid  23 and  name   hd*)(resid  22 and  name   hg*) 0 0 7.5 
assign (resid  23 and  name   he*)(resid  22 and  name   hd*) 0 0 7.5 
assign (resid  23 and  name   he*)(resid  22 and  name   hg*) 0 0 7.5 
assign (resid  23 and  name    hn)(resid  23 and  name    ha) 0 0 5.0 
assign (resid  23 and  name    hn)(resid  23 and  name   hb1) 0 0 3.5 
assign (resid  23 and  name    hn)(resid  23 and  name   hb2) 0 0 2.7 
assign (resid  23 and  name    hn)(resid  23 and  name   hd*) 0 0 6.0 
assign (resid  23 and  name    hz)(resid  23 and  name   hb2) 0 0 6.0 
assign (resid  23 and  name   hd*)(resid  23 and  name    ha) 0 0 6.0
assign (resid  23 and  name   hd*)(resid  23 and  name   hb1) 0 0 5.2 
assign (resid  23 and  name   hd*)(resid  23 and  name   hb2) 0 0 5.2 
assign (resid  23 and  name   he*)(resid  23 and  name   hb1) 0 0 8.5 
assign (resid  23 and  name    hn)(resid  24 and  name    ha) 0 0 5.0 
assign (resid  23 and  name    hn)(resid  25 and  name    hn) 0 0 3.5 
assign (resid  23 and  name   hd*)(resid  25 and  name   hb1) 0 0 8.5
assign (resid  23 and  name   hd*)(resid  27 and  name   hg*) 0 0 11.0

!ASN 24
assign (resid  24 and  name    hn)(resid  10 and  name  he22) 0 0 6.0 
assign (resid  24 and  name    hn)(resid  22 and  name    ha) 0 0 3.5 
assign (resid  24 and  name    hn)(resid  22 and  name    hn) 0 0 5.0 
assign (resid  24 and  name    hn)(resid  23 and  name    ha) 0 0 3.5 
assign (resid  24 and  name    hn)(resid  23 and  name    hn) 0 0 2.7 
assign (resid  24 and  name    hn)(resid  23 and  name   hb1) 0 0 6.0 
assign (resid  24 and  name    hn)(resid  24 and  name    ha) 0 0 2.7 
assign (resid  24 and  name    hn)(resid  24 and  name   hb*) 0 0 4.5 
assign (resid  24 and  name  hd21)(resid  24 and  name   hb*) 0 0 4.5 
assign (resid  24 and  name  hd22)(resid  24 and  name   hb*) 0 0 4.5 
assign (resid  24 and  name    hn)(resid  25 and  name    hn) 0 0 2.7 
assign (resid  24 and  name    hn)(resid  25 and  name   hg*) 0 0 7.0
!LYS 25
assign (resid  25 and  name    hn)(resid  21 and  name    ha) 0 0 6.0 
assign (resid  25 and  name    hn)(resid  21 and  name   hb*) 0 0 7.0 
assign (resid  25 and  name    hn)(resid  21 and  name  hd22) 0 0 5.0 
assign (resid  25 and  name    hn)(resid  23 and  name   hb1) 0 0 5.0 
assign (resid  25 and  name    hn)(resid  23 and  name   hb2) 0 0 5.0 
assign (resid  25 and  name    hn)(resid  24 and  name    ha) 0 0 2.7 
assign (resid  25 and  name    hn)(resid  24 and  name   hb*) 0 0 6.0 
assign (resid  25 and  name    hn)(resid  25 and  name    ha) 0 0 3.5 
assign (resid  25 and  name    hn)(resid  25 and  name   hb1) 0 0 3.5 
assign (resid  25 and  name    hn)(resid  25 and  name   hb2) 0 0 2.7 
assign (resid  25 and  name    hn)(resid  25 and  name   hg*) 0 0 4.5 
assign (resid  25 and  name    hn)(resid  27 and  name   hg*) 0 0 8.5 
!CYS 26
assign (resid  26 and  name    hn)(resid   4 and  name    ha) 0 0 5.0 
assign (resid  26 and  name    hn)(resid   5 and  name    ha) 0 0 3.5 
assign (resid  26 and  name    hn)(resid   6 and  name    ha) 0 0 6.0 
assign (resid  26 and  name    hn)(resid   6 and  name    hn) 0 0 3.5 
assign (resid  26 and  name    hn)(resid   6 and  name   hb*) 0 0 6.0 
assign (resid  26 and  name    hn)(resid   7 and  name    hn) 0 0 6.0
assign (resid  26 and  name    hn)(resid   7 and  name    ha) 0 0 5.0 
assign (resid  26 and  name    hn)(resid   8 and  name    hn) 0 0 5.0 
assign (resid  26 and  name    hn)(resid   8 and  name   hb*) 0 0 7.0 
assign (resid  26 and  name    hn)(resid  25 and  name    ha) 0 0 2.7 
assign (resid  26 and  name    hn)(resid  25 and  name    hn) 0 0 5.0 
assign (resid  26 and  name    hn)(resid  25 and  name   hb1) 0 0 3.5 
assign (resid  26 and  name    hn)(resid  25 and  name   hb2) 0 0 5.0 
assign (resid  26 and  name    hn)(resid  26 and  name    ha) 0 0 3.5 
assign (resid  26 and  name    hn)(resid  26 and  name   hb1) 0 0 3.5 
assign (resid  26 and  name    hn)(resid  26 and  name   hb2) 0 0 2.7 
!VAL 27
assign (resid  27 and  name    hn)(resid   4 and  name    ha) 0 0 5.0 
assign (resid  27 and  name    hn)(resid  19 and  name    hn) 0 0 5.0 
assign (resid  27 and  name    hn)(resid  19 and  name   hb1) 0 0 6.0 
assign (resid  27 and  name    hn)(resid  19 and  name   hb2) 0 0 5.0 
assign (resid  27 and  name    hn)(resid  20 and  name    ha) 0 0 3.5 
assign (resid  27 and  name    hn)(resid  26 and  name    ha) 0 0 2.7 
assign (resid  27 and  name    hn)(resid  26 and  name   hb1) 0 0 3.5 
assign (resid  27 and  name    hn)(resid  26 and  name   hb2) 0 0 3.5 
assign (resid  27 and  name    hn)(resid  27 and  name    ha) 0 0 3.5 
assign (resid  27 and  name    hn)(resid  27 and  name    hb) 0 0 2.7 
assign (resid  27 and  name    hn)(resid  27 and  name   hg*) 0 0 5.2 
!
!
!Distance restraints from 250ms mixing time NOESY in D2O @298K
!CYS 1
assign (resid   1 and  name    ha)(resid   1 and  name   hb*) 0 0 4.5 
!ARG 2
assign (resid   2 and  name    ha)(resid   2 and  name   hb*) 0 0 4.5 
assign (resid   2 and  name    ha)(resid   2 and  name   hd*) 0 0 6.0 
assign (resid   2 and  name    ha)(resid   2 and  name   hg*) 0 0 4.5 
assign (resid   2 and  name   hd*)(resid   2 and  name   hb*) 0 0 4.5 
assign (resid   2 and  name   hd*)(resid   2 and  name   hg*) 0 0 4.5 
assign (resid   2 and  name    ha)(resid   3 and  name  hg1*) 0 0 7.0 
assign (resid   2 and  name    ha)(resid   3 and  name  hg2*) 0 0 6.5 
assign (resid   2 and  name   hd*)(resid   6 and  name   hb*) 0 0 4.5 
!ILE 3
assign (resid   3 and  name    ha)(resid   3 and  name    hb) 0 0 2.7 
assign (resid   3 and  name    ha)(resid   3 and  name   hd*) 0 0 7.0 
assign (resid   3 and  name    ha)(resid   3 and  name  hg1*) 0 0 6.0 
assign (resid   3 and  name    ha)(resid   3 and  name  hg2*) 0 0 5.2 
assign (resid   3 and  name    hb)(resid   3 and  name   hd*) 0 0 6.0 
assign (resid   3 and  name    hb)(resid   3 and  name  hg1*) 0 0 6.0 
assign (resid   3 and  name    hb)(resid   3 and  name  hg2*) 0 0 6.0 
assign (resid   3 and  name  hg1*)(resid   3 and  name   hd*) 0 0 5.5 
assign (resid   3 and  name    ha)(resid   4 and  name  hd1*) 0 0 3.7 
!HYP 4
assign (resid   4 and  name    hg)(resid   3 and  name    hb) 0 0 5.0 
assign (resid   4 and  name  hd1*)(resid   3 and  name    hb) 0 0 4.5 
assign (resid   4 and  name  hd1*)(resid   3 and  name  hg1*) 0 0 6.0 
assign (resid   4 and  name  hd1*)(resid   3 and  name  hg2*) 0 0 6.0 
assign (resid   4 and  name    ha)(resid   4 and  name   hb*) 0 0 6.0
assign (resid   4 and  name    ha)(resid   4 and  name  hd1*) 0 0 5.0 
assign (resid   4 and  name    hg)(resid   4 and  name    ha) 0 0 4.5 
assign (resid   4 and  name    hg)(resid   4 and  name   hb*) 0 0 4.5 
assign (resid   4 and  name    hg)(resid   4 and  name  hd1*) 0 0 3.7 
assign (resid   4 and  name  hd1*)(resid   4 and  name   hb*) 0 0 4.5 
assign (resid   4 and  name    ha)(resid  26 and  name   hb1) 0 0 3.5 
assign (resid   4 and  name    ha)(resid  26 and  name   hb2) 0 0 3.5 
!ASN 5
assign (resid   5 and  name    ha)(resid   5 and  name   hb*) 0 0 4.5 
assign (resid   5 and  name    ha)(resid  25 and  name   hb1) 0 0 3.5 
assign (resid   5 and  name    ha)(resid  25 and  name   hb2) 0 0 5.0
!GLN 6
assign (resid   6 and  name   hb*)(resid   2 and  name   hb*) 0 0 6.0 
assign (resid   6 and  name   hg*)(resid   2 and  name   hb*) 0 0 7.0 
assign (resid   6 and  name   hb*)(resid   3 and  name  hg1*) 0 0 6.0 
assign (resid   6 and  name   hg*)(resid   3 and  name   hd*) 0 0 7.5 
assign (resid   6 and  name   hg*)(resid   3 and  name  hg1*) 0 0 6.0 
assign (resid   6 and  name    ha)(resid   6 and  name   hb*) 0 0 4.5 
assign (resid   6 and  name    ha)(resid   6 and  name   hg*) 0 0 6.0 
assign (resid   6 and  name   hg*)(resid   6 and  name   hb*) 0 0 4.5 
!LYS 7
assign (resid   7 and  name    ha)(resid   7 and  name   hb*) 0 0 4.5 
assign (resid   7 and  name    ha)(resid   7 and  name   hd*) 0 0 6.0 
assign (resid   7 and  name    ha)(resid   7 and  name   hg*) 0 0 4.5 
assign (resid   7 and  name   he*)(resid   7 and  name   hb*) 0 0 6.0 
assign (resid   7 and  name   he*)(resid   7 and  name   hd*) 0 0 6.0 
assign (resid   7 and  name   he*)(resid   7 and  name   hg*) 0 0 7.0 
assign (resid   7 and  name    ha)(resid  25 and  name   hd*) 0 0 7.0 
!CYS 8
assign (resid   8 and  name    ha)(resid   8 and  name   hb*) 0 0 3.7 
!PHE 9
assign (resid   9 and  name   hb*)(resid  12 and  name    hg) 0 0 6.0 
assign (resid   9 and  name   hb*)(resid  12 and  name   hb*) 0 0 6.0 
assign (resid   9 and  name   hb*)(resid  12 and  name   hd*) 0 0 7.0 
!GLN 10
assign (resid  10 and  name    ha)(resid  10 and  name   hb*) 0 0 4.5 
assign (resid  10 and  name    ha)(resid  10 and  name   hg*) 0 0 4.5 
assign (resid  10 and  name   hg*)(resid  10 and  name   hb*) 0 0 4.5 
assign (resid  10 and  name    ha)(resid  20 and  name   hb1) 0 0 6.0 
assign (resid  10 and  name    ha)(resid  20 and  name   hb2) 0 0 3.5 
!HIS 11
assign (resid  11 and  name    ha)(resid  11 and  name   hb*) 0 0 4.5 
!LEU 12
assign (resid  12 and  name    ha)(resid  12 and  name    hg) 0 0 5.0 
assign (resid  12 and  name    ha)(resid  12 and  name   hb*) 0 0 4.5 
assign (resid  12 and  name    ha)(resid  12 and  name   hd*) 0 0 6.0 
assign (resid  12 and  name    hg)(resid  12 and  name   hd*) 0 0 6.0 
assign (resid  12 and  name   hba)(resid  12 and  name   hd*) 0 0 6.0 
!ASP 13
assign (resid  13 and  name    ha)(resid  13 and  name   hb*) 0 0 4.5 
!ASP 14
assign (resid  14 and  name    ha)(resid  14 and  name   hb1) 0 0 3.5 
assign (resid  14 and  name    ha)(resid  14 and  name   hb2) 0 0 3.5 
!CYS 15
assign (resid  15 and  name    ha)(resid   2 and  name   hd*) 0 0 7.0 
assign (resid  15 and  name    ha)(resid  15 and  name   hb1) 0 0 3.5 
assign (resid  15 and  name    ha)(resid  15 and  name   hb2) 0 0 3.5 
assign (resid  15 and  name    ha)(resid   2 and  name   hb*) 0 0 4.5 
!CYS 16
assign (resid  16 and  name    ha)(resid   1 and  name   hb*) 0 0 4.5 
assign (resid  16 and  name    ha)(resid  16 and  name   hb1) 0 0 3.5 
assign (resid  16 and  name    ha)(resid  16 and  name   hb2) 0 0 3.5 
!SER 17
assign (resid  17 and  name    ha)(resid  17 and  name   hb1) 0 0 2.7 
assign (resid  17 and  name    ha)(resid  17 and  name   hb2) 0 0 3.5 
assign (resid  17 and  name   hb1)(resid  19 and  name   hb2) 0 0 6.0 
assign (resid  17 and  name   hb2)(resid  19 and  name   hb2) 0 0 5.0 
assign (resid  17 and  name   hb1)(resid  27 and  name    hb) 0 0 5.0 
assign (resid  17 and  name   hb1)(resid  27 and  name   hg*) 0 0 7.5 
assign (resid  17 and  name   hb2)(resid  27 and  name    hb) 0 0 6.0 
assign (resid  17 and  name   hb2)(resid  27 and  name   hg*) 0 0 8.5 
!ARG 18
assign (resid  18 and  name    ha)(resid  15 and  name   hb2) 0 0 5.0 
assign (resid  18 and  name    ha)(resid  18 and  name   hb*) 0 0 4.5 
assign (resid  18 and  name    ha)(resid  18 and  name   hd*) 0 0 6.0 
assign (resid  18 and  name    ha)(resid  18 and  name   hg*) 0 0 4.5 
assign (resid  18 and  name   hb*)(resid  18 and  name   hg*) 0 0 4.5 
assign (resid  18 and  name   hd*)(resid  18 and  name   hb*) 0 0 6.0 
assign (resid  18 and  name   hd*)(resid  18 and  name   hg*) 0 0 4.5 
!LYS 19
assign (resid  19 and  name    ha)(resid  19 and  name   hb1) 0 0 3.5 
assign (resid  19 and  name    ha)(resid  19 and  name   hb2) 0 0 3.5 
assign (resid  19 and  name    ha)(resid  19 and  name   hg*) 0 0 4.5 
assign (resid  19 and  name   he*)(resid  19 and  name   hb*) 0 0 6.0 
assign (resid  19 and  name   he*)(resid  19 and  name   hg*) 0 0 6.0 
assign (resid  19 and  name   hb2)(resid  27 and  name   hg*) 0 0 6.0 
assign (resid  19 and  name   hg*)(resid  27 and  name   hg*) 0 0 7.5 
!CYS 20
assign (resid  20 and  name    ha)(resid  20 and  name   hb1) 0 0 5.0 
assign (resid  20 and  name    ha)(resid  26 and  name    ha) 0 0 3.5
assign (resid  20 and  name    ha)(resid  27 and  name   hg*) 0 0 7.5 
!ASN 21
assign (resid  21 and  name    ha)(resid  21 and  name   hb*) 0 0 4.5 
assign (resid  21 and  name    ha)(resid  27 and  name   hg*) 0 0 6.0 
assign (resid  21 and  name   hb*)(resid  27 and  name   hg*) 0 0 7.5 
!ARG 22
assign (resid  22 and  name    ha)(resid  22 and  name   hb1) 0 0 2.7
assign (resid  22 and  name    ha)(resid  22 and  name   hb2) 0 0 2.7 
assign (resid  22 and  name    ha)(resid  22 and  name   hg*) 0 0 6.0 
assign (resid  22 and  name   hb1)(resid  22 and  name   hg*) 0 0 4.5 
assign (resid  22 and  name   hb2)(resid  22 and  name   hg*) 0 0 4.5 
assign (resid  22 and  name   hd*)(resid  22 and  name   hb1) 0 0 4.5 
assign (resid  22 and  name   hd*)(resid  22 and  name   hb2) 0 0 4.5 
assign (resid  22 and  name   hd*)(resid  22 and  name   hg*) 0 0 4.5 
!PHE 23
assign (resid  23 and  name    ha)(resid  23 and  name   hb1) 0 0 3.5 
assign (resid  23 and  name    ha)(resid  23 and  name   hb2) 0 0 3.5 
assign (resid  23 and  name   hb2)(resid  25 and  name   hd*) 0 0 7.0 
!ASN 24
assign (resid  24 and  name    ha)(resid  24 and  name   hb*) 0 0 4.5 
!LYS 25
assign (resid  25 and  name    ha)(resid   7 and  name    ha) 0 0 2.7
assign (resid  25 and  name    ha)(resid  25 and  name   hb1) 0 0 3.5 
assign (resid  25 and  name    ha)(resid  25 and  name   hb2) 0 0 3.5 
assign (resid  25 and  name    ha)(resid  25 and  name   hg*) 0 0 4.5 
assign (resid  25 and  name   hb2)(resid  25 and  name   hd*) 0 0 6.0 
assign (resid  25 and  name   hg*)(resid  25 and  name   hd*) 0 0 3.7 
!CYS 26
assign (resid  26 and  name    ha)(resid  15 and  name   hb1) 0 0 6.0 
assign (resid  26 and  name   hb1)(resid  15 and  name   hb2) 0 0 6.0 
assign (resid  26 and  name    ha)(resid  26 and  name   hb1) 0 0 3.5 
assign (resid  26 and  name    ha)(resid  26 and  name   hb1) 0 0 3.5 
assign (resid  26 and  name    ha)(resid  27 and  name    hb) 0 0 6.0 
assign (resid  26 and  name    ha)(resid  27 and  name   hg*) 0 0 7.5 
!VAL 27
assign (resid  27 and  name    hb)(resid  19 and  name   hb*) 0 0 4.5 
assign (resid  27 and  name    ha)(resid  27 and  name    hb) 0 0 3.5 
assign (resid  27 and  name    ha)(resid  27 and  name   hg*) 0 0 5.2
assign (resid  27 and  name    hb)(resid  27 and  name   hg*) 0 0 5.2
! p7adihed.tbl
! phi angles
!  resid 2
 assign (resid   1 and name C )   (resid   2 and name N )
        (resid   2 and name CA)   (resid   2 and name C )   1 -100.0   80.0  2
! resid 3
 assign  (resid 2 and name C )    (resid 3 and name N )
        (resid 3 and name CA)    (resid 3 and name C )    1 -100.0   80.0  2 
!  resid 5
assign  (resid 4 and name C )    (resid 5 and name N )
        (resid 5 and name CA)    (resid 5 and name C )    1 +60.0   40.0  2 
!  resid 7
 assign (resid  6 and name C )   (resid  7 and name N )
        (resid  7 and name CA)   (resid  7 and name C )   1 -100.0  80.0  2
!  resid 8
 assign (resid  7 and name C )   (resid  8 and name N )
        (resid  8 and name CA)   (resid  8 and name C )   1 -120.0   20.0  2
!  resid 9
assign  (resid  8 and name C )    (resid  9 and name N )
        (resid  9 and name CA)    (resid  9 and name C )    1 -120.0   30.0  2
!  resid 10
assign  (resid 9 and name C )    (resid 10 and name N )
        (resid 10 and name CA)    (resid 10 and name C )    1 -60.0   30.0  2
!  resid 11
assign  (resid 10 and name C )    (resid 11 and name N )
        (resid 11 and name CA)    (resid 11 and name C )    1 -100.0   80.0  2
!  resid 12
assign  (resid 11 and name C )    (resid 12 and name N )
        (resid 12 and name CA)    (resid 12 and name C )    1 -120.0   30.0  2
!  resid 13
assign  (resid 12 and name C )    (resid 13 and name N )
        (resid 13 and name CA)    (resid 13 and name C )    1 -60.0   40.0  2 
!  resid 14
 assign (resid  13 and name C )   (resid  14 and name N ) 
        (resid  14 and name CA)   (resid  14 and name C )   1 -120.0   30.0  2
!  resid 15
assign  (resid 14 and name C )    (resid 15 and name N )
        (resid 15 and name CA)    (resid 15 and name C )    1 -60.0   30.0  2
!  resid 16
 assign (resid   15 and name C )   (resid   16 and name N ) 
        (resid   16 and name CA)   (resid   16 and name C )   1 -60.0   30.0  2
!  resid 17
 assign (resid  16 and name C )   (resid  17 and name N )
        (resid  17 and name CA)   (resid  17 and name C )   1 -60.0   30.0  2
!  resid 18
 assign (resid  17 and name C )   (resid  18 and name N )
        (resid  18 and name CA)   (resid  18 and name C )   1 +60.0   40.0  2
!  resid 19
 assign (resid  18 and name C )   (resid  19 and name N ) 
        (resid  19 and name CA)   (resid  19 and name C )   1 -120.0   30.0  2
!  resid 20
assign  (resid  19 and name C )    (resid  20 and name N )
        (resid  20 and name CA)    (resid  20 and name C )    1 -120.0   30.0  2
!  resid 21
assign  (resid 20 and name C )    (resid 21 and name N )
        (resid 21 and name CA)    (resid 21 and name C )    1 -100.0   80.0  2
!  resid 23
assign  (resid 22 and name C )    (resid 23 and name N )
        (resid 23 and name CA)    (resid 23 and name C )    1 -120.0   30.0  2
!  resid 25
assign  (resid 24 and name C )    (resid 25 and name N )
        (resid 25 and name CA)    (resid 25 and name C )    1 -120.0   30.0  2
!  resid 26
assign  (resid 25 and name C )    (resid 26 and name N )
        (resid 26 and name CA)    (resid 26 and name C )    1 -60.0   30.0  2

! chi angles
! resid 3 g2g3
!assign (resid  3 and name N )    (resid  3 and name CA)
!       (resid  3 and name CB)    (resid  3 and name CG1)    1 60.0   30.0  2
! resid 27 g2g3
 assign (resid  27 and name N )    (resid  27 and name CA)
        (resid  27 and name CB)    (resid  27 and name CG1)    1 180   30.0  2
! resid 1 g2g3
 assign (resid  1 and name N )    (resid  1 and name CA)
        (resid  1 and name CB)    (resid  1 and name SG)    1 60.0   40.0  2
! resid 5 g2g3
 assign (resid  5 and name N )    (resid  5 and name CA)
        (resid  5 and name CB)    (resid  5 and name CG)    1 60.0   40.0  2
! resid 8 g2g3
 assign (resid  8 and name N )    (resid  8 and name CA)
        (resid  8 and name CB)    (resid  8 and name CG)    1 60.0   40.0  2
! resid 14 g2g3
 assign (resid  14 and name N )    (resid  14 and name CA)
        (resid  14 and name CB)    (resid  14 and name CG)    1 60.0   30.0  2
! resid 17 g2g3
 assign (resid  17 and name N )    (resid  17 and name CA)
        (resid  17 and name CB)    (resid  17 and name OG)    1 60.0   30.0  2
! resid 21 g2g3
 assign (resid 21 and name N )    (resid 21 and name CA)
        (resid 21 and name CB)    (resid 21 and name CG)    1 60.0   40.0  2
! resid 22 g2g3
 assign (resid 22 and name N )    (resid 22 and name CA)
        (resid 22 and name CB)    (resid 22 and name CG)    1 60.0   30.0  2
! resid 15 t2g3
 assign (resid 15 and name N )    (resid 15 and name CA)
        (resid 15 and name CB)    (resid 15 and name SG)    1  -60.0   30.0  2
! resid 19 t2g3
 assign (resid 19 and name N )    (resid 19 and name CA)
        (resid 19 and name CB)    (resid 19 and name CG)    1 -60.0   30.0  2
! resid 20 t2g3
 assign (resid 20 and name N )    (resid 20 and name CA)
        (resid 20 and name CB)    (resid 20 and name SG)    1 -60.0   30.0  2
! resid 23 t2g3
 assign (resid 23 and name N )    (resid 23 and name CA)
        (resid 23 and name CB)    (resid 23 and name CG)    1 -60.0   30.0  2
! resid 25 t2g3
 assign (resid 25 and name N )    (resid 25 and name CA)
        (resid 25 and name CB)    (resid 25 and name CG)    1 -60.0   30.0  2
! resid 26 t2g3
 assign (resid 26 and name N )    (resid 26 and name CA)
        (resid 26 and name CB)    (resid 26 and name SG)    1 -60.0   30.0  2
! resid 16 g2t3
 assign (resid 16 and name N )    (resid 16 and name CA)
        (resid 16 and name CB)    (resid 16 and name SG)    1 180.0   30.0  2
end
!Hbond constraints
assign (resid  6 and name  HN  )(resid 3 and name  O ) 1.88 0.3 0.42
assign (resid  6 and name  N   )(resid 3 and name  O ) 1.88 0.3 1.32

assign (resid  8 and name  HN  )(resid 24 and name  O ) 1.88 0.3 0.42
assign (resid  8 and name  N   )(resid 24 and name  O ) 1.88 0.3 1.32

assign (resid  16 and name  HN  )(resid 2 and name  O ) 1.88 0.3 0.42
assign (resid  16 and name  N   )(resid 2 and name  O ) 1.88 0.3 1.32

assign (resid  21 and name  HN  )(resid 25 and name  O ) 1.88 0.3 0.42
assign (resid  21 and name  N   )(resid 25 and name  O ) 1.88 0.3 1.32

assign (resid  24 and name  HN  )(resid 21 and name  O ) 1.88 0.3 0.42
assign (resid  24 and name  N   )(resid 21 and name  O ) 1.88 0.3 1.32

assign (resid  26 and name  HN  )(resid 6 and name  O ) 1.88 0.3 0.42
assign (resid  26 and name  N   )(resid 6 and name  O ) 1.88 0.3 1.32

assign (resid  27 and name  HN  )(resid 19 and name  O ) 1.88 0.3 0.42
assign (resid  27 and name  N   )(resid 19 and name  O ) 1.88 0.3 1.32
end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          3H        CYS   1  -1.548  12.793  -5.340
    2   2H    CYS   1          2H        CYS   1  -0.406  13.337  -4.206
    3   3H    CYS   1          1H        CYS   1   0.003  12.108  -5.306
    4    HA   CYS   1           HA       CYS   1  -0.389  11.122  -3.186
    5   1HB   CYS   1          2HB       CYS   1  -2.082  11.820  -1.821
    6   2HB   CYS   1          1HB       CYS   1  -2.148  13.206  -2.851
    7    H    ARG   2           H        ARG   2  -0.565   9.048  -3.742
    8    HA   ARG   2           HA       ARG   2  -1.891   8.224  -6.197
    9   1HB   ARG   2          2HB       ARG   2   0.296   7.339  -5.340
   10   2HB   ARG   2          1HB       ARG   2  -0.551   6.530  -4.052
   11   1HG   ARG   2          2HG       ARG   2  -0.838   4.748  -5.382
   12   2HG   ARG   2          1HG       ARG   2  -1.938   5.684  -6.366
   13   1HD   ARG   2          2HD       ARG   2  -0.442   5.852  -8.080
   14   2HD   ARG   2          1HD       ARG   2   0.899   6.261  -7.025
   15    HE   ARG   2           HE       ARG   2   0.138   3.555  -7.898
   16   1HH1  ARG   2          2HH1      ARG   2   0.598   2.588  -5.458
   17   2HH1  ARG   2          1HH1      ARG   2   2.300   2.663  -5.140
   18   1HH2  ARG   2          1HH2      ARG   2   2.885   4.985  -7.687
   19   2HH2  ARG   2          2HH2      ARG   2   3.622   4.047  -6.429
   20    H    ILE   3           H        ILE   3  -3.793   7.272  -6.464
   21    HA   ILE   3           HA       ILE   3  -5.820   7.367  -4.533
   22    HB   ILE   3           HB       ILE   3  -7.122   6.059  -6.234
   23   1HG1  ILE   3          2HG1      ILE   3  -4.430   5.832  -7.676
   24   2HG1  ILE   3          1HG1      ILE   3  -5.326   4.505  -6.965
   25   1HG2  ILE   3          2HG2      ILE   3  -6.615   8.576  -6.390
   26   2HG2  ILE   3          1HG2      ILE   3  -5.387   8.166  -7.575
   27   3HG2  ILE   3          3HG2      ILE   3  -7.076   7.806  -7.894
   28   1HD1  ILE   3          3HD1      ILE   3  -7.263   5.087  -8.513
   29   2HD1  ILE   3          2HD1      ILE   3  -6.170   6.195  -9.337
   30   3HD1  ILE   3          1HD1      ILE   3  -5.828   4.476  -9.316
   31    HA   HYP   4           HA       HYP   4  -5.808   3.495  -2.241
   32   1HB   HYP   4          1HB       HYP   4  -7.919   3.165  -1.444
   33   2HB   HYP   4          2HB       HYP   4  -8.631   3.104  -3.045
   34   1HD   HYP   4          1HD1      HYP   4  -7.031   6.803  -2.834
   35   2HD   HYP   4          2HD1      HYP   4  -7.976   6.177  -4.196
   36    HOD  HYP   4           HD2      HYP   4  -7.053   5.201  -0.869
   37    HG   HYP   4           HG       HYP   4  -9.399   5.296  -2.480
   38    H    ASN   5           H        ASN   5  -6.269   1.242  -2.485
   39    HA   ASN   5           HA       ASN   5  -5.820  -0.770  -3.480
   40   1HB   ASN   5          2HB       ASN   5  -7.443  -1.436  -5.147
   41   2HB   ASN   5          1HB       ASN   5  -8.231  -0.326  -4.050
   42   1HD2  ASN   5          2HD2      ASN   5  -9.055   1.960  -6.574
   43   2HD2  ASN   5          1HD2      ASN   5  -9.215   1.486  -4.952
   44    H    GLN   6           H        GLN   6  -4.297   1.730  -4.680
   45    HA   GLN   6           HA       GLN   6  -3.425   0.642  -7.261
   46   1HB   GLN   6          2HB       GLN   6  -3.678   3.200  -6.406
   47   2HB   GLN   6          1HB       GLN   6  -2.032   2.945  -5.883
   48   1HG   GLN   6          2HG       GLN   6  -1.928   3.840  -8.107
   49   2HG   GLN   6          1HG       GLN   6  -1.514   2.138  -8.253
   50   1HE2  GLN   6          2HE2      GLN   6  -3.896   2.696 -10.965
   51   2HE2  GLN   6          1HE2      GLN   6  -2.274   3.025 -10.589
   52    H    LYS   7           H        LYS   7  -1.736  -0.628  -7.510
   53    HA   LYS   7           HA       LYS   7  -0.450  -2.018  -5.500
   54   1HB   LYS   7          2HB       LYS   7  -0.367  -2.063  -8.251
   55   2HB   LYS   7          1HB       LYS   7   1.259  -1.529  -7.905
   56   1HG   LYS   7          2HG       LYS   7  -0.036  -3.964  -6.594
   57   2HG   LYS   7          1HG       LYS   7   0.948  -4.061  -8.033
   58   1HD   LYS   7          2HD       LYS   7   2.046  -2.753  -5.502
   59   2HD   LYS   7          1HD       LYS   7   2.079  -4.486  -5.702
   60   1HE   LYS   7          2HE       LYS   7   3.206  -2.663  -7.861
   61   2HE   LYS   7          1HE       LYS   7   4.168  -3.149  -6.474
   62   1HZ   LYS   7          1HZ       LYS   7   3.770  -5.445  -7.025
   63   2HZ   LYS   7          3HZ       LYS   7   2.829  -4.993  -8.364
   64   3HZ   LYS   7          2HZ       LYS   7   4.487  -4.628  -8.329
   65    H    CYS   8           H        CYS   8   0.452  -1.101  -3.835
   66    HA   CYS   8           HA       CYS   8   2.825   0.666  -4.224
   67   1HB   CYS   8          2HB       CYS   8   2.142   1.963  -2.269
   68   2HB   CYS   8          1HB       CYS   8   0.944   2.045  -3.523
   69    H    PHE   9           H        PHE   9   4.473   0.356  -2.858
   70    HA   PHE   9           HA       PHE   9   4.502  -2.205  -1.393
   71   1HB   PHE   9          2HB       PHE   9   6.449  -0.652  -2.844
   72   2HB   PHE   9          1HB       PHE   9   7.004  -0.726  -1.183
   73    HD1  PHE   9           HD2      PHE   9   6.159  -2.726  -4.159
   74    HD2  PHE   9           HD1      PHE   9   7.629  -2.860  -0.158
   75    HE1  PHE   9           HE2      PHE   9   6.928  -5.027  -4.517
   76    HE2  PHE   9           HE1      PHE   9   8.396  -5.162  -0.521
   77    HZ   PHE   9           HZ       PHE   9   8.048  -6.249  -2.701
   78    H    GLN  10           H        GLN  10   4.585  -2.385   0.725
   79    HA   GLN  10           HA       GLN  10   3.635  -0.408   2.436
   80   1HB   GLN  10          2HB       GLN  10   5.356  -2.800   3.207
   81   2HB   GLN  10          1HB       GLN  10   4.224  -1.964   4.251
   82   1HG   GLN  10          2HG       GLN  10   2.574  -2.608   2.102
   83   2HG   GLN  10          1HG       GLN  10   3.704  -3.949   2.061
   84   1HE2  GLN  10          2HE2      GLN  10   0.709  -4.328   4.502
   85   2HE2  GLN  10          1HE2      GLN  10   0.749  -3.514   3.014
   86    H    HIS  11           H        HIS  11   6.836  -1.213   1.459
   87    HA   HIS  11           HA       HIS  11   8.306   0.234   3.458
   88   1HB   HIS  11          2HB       HIS  11   9.048  -1.582   1.604
   89   2HB   HIS  11          1HB       HIS  11   9.443  -0.139   0.683
   90    HD1  HIS  11           HD1      HIS  11  11.138   1.512   2.001
   91    HD2  HIS  11           HD2      HIS  11  10.823  -2.232   3.582
   92    HE1  HIS  11           HE1      HIS  11  13.079   1.234   3.498
   93    H    LEU  12           H        LEU  12   6.967   1.056   0.349
   94    HA   LEU  12           HA       LEU  12   7.553   3.946   0.845
   95   1HB   LEU  12          2HB       LEU  12   7.939   4.202  -1.604
   96   2HB   LEU  12          1HB       LEU  12   9.114   3.156  -0.854
   97    HG   LEU  12           HG       LEU  12   6.839   1.536  -1.765
   98   1HD1  LEU  12          1HD1      LEU  12   6.558   3.423  -3.418
   99   2HD1  LEU  12          3HD1      LEU  12   8.210   3.157  -3.948
  100   3HD1  LEU  12          2HD1      LEU  12   6.999   1.905  -4.177
  101   1HD2  LEU  12          3HD2      LEU  12   9.764   1.655  -2.624
  102   2HD2  LEU  12          2HD2      LEU  12   9.100   0.631  -1.362
  103   3HD2  LEU  12          1HD2      LEU  12   8.648   0.364  -3.034
  104    H    ASP  13           H        ASP  13   5.346   3.322   1.798
  105    HA   ASP  13           HA       ASP  13   3.079   3.042   0.031
  106   1HB   ASP  13          2HB       ASP  13   1.788   3.847   2.142
  107   2HB   ASP  13          1HB       ASP  13   2.720   2.376   2.308
  108    H    ASP  14           H        ASP  14   3.226   4.507  -1.538
  109    HA   ASP  14           HA       ASP  14   3.458   7.387  -1.038
  110   1HB   ASP  14          2HB       ASP  14   3.482   7.426  -3.555
  111   2HB   ASP  14          1HB       ASP  14   4.721   6.390  -2.872
  112    H    CYS  15           H        CYS  15   1.005   5.482  -0.530
  113    HA   CYS  15           HA       CYS  15  -1.126   6.453  -2.157
  114   1HB   CYS  15          2HB       CYS  15  -1.371   5.374   0.641
  115   2HB   CYS  15          1HB       CYS  15  -2.533   5.293  -0.648
  116    H    CYS  16           H        CYS  16  -2.906   7.661  -1.498
  117    HA   CYS  16           HA       CYS  16  -2.268  10.253  -0.461
  118   1HB   CYS  16          2HB       CYS  16  -4.257   9.262  -2.011
  119   2HB   CYS  16          1HB       CYS  16  -5.102   9.226  -0.492
  120    H    SER  17           H        SER  17  -3.666   7.350   0.804
  121    HA   SER  17           HA       SER  17  -4.148   8.399   3.498
  122   1HB   SER  17          2HB       SER  17  -5.075   6.104   3.843
  123   2HB   SER  17          1HB       SER  17  -5.756   6.800   2.370
  124    HG   SER  17           HG       SER  17  -4.680   4.598   2.333
  125    H    ARG  18           H        ARG  18  -1.621   7.113   1.747
  126    HA   ARG  18           HA       ARG  18   0.478   6.259   2.225
  127   1HB   ARG  18          2HB       ARG  18  -0.248   7.867   4.699
  128   2HB   ARG  18          1HB       ARG  18   1.198   6.886   4.764
  129   1HG   ARG  18          2HG       ARG  18   2.100   7.984   2.765
  130   2HG   ARG  18          1HG       ARG  18   0.622   8.909   2.567
  131   1HD   ARG  18          2HD       ARG  18   2.422   9.064   5.025
  132   2HD   ARG  18          1HD       ARG  18   2.445  10.227   3.708
  133    HE   ARG  18           HE       ARG  18   0.286   9.901   5.706
  134   1HH1  ARG  18          2HH1      ARG  18  -0.950  10.274   3.047
  135   2HH1  ARG  18          1HH1      ARG  18  -1.049  11.999   2.904
  136   1HH2  ARG  18          1HH2      ARG  18   1.263  12.533   5.486
  137   2HH2  ARG  18          2HH2      ARG  18   0.242  13.314   4.324
  138    H    LYS  19           H        LYS  19  -1.973   4.712   2.765
  139    HA   LYS  19           HA       LYS  19  -0.852   2.638   4.587
  140   1HB   LYS  19          2HB       LYS  19  -3.610   3.796   4.282
  141   2HB   LYS  19          1HB       LYS  19  -3.481   2.087   4.613
  142   1HG   LYS  19          2HG       LYS  19  -1.914   4.071   6.293
  143   2HG   LYS  19          1HG       LYS  19  -3.614   3.819   6.617
  144   1HD   LYS  19          2HD       LYS  19  -1.774   1.415   6.384
  145   2HD   LYS  19          1HD       LYS  19  -1.812   2.335   7.873
  146   1HE   LYS  19          2HE       LYS  19  -4.163   1.889   8.206
  147   2HE   LYS  19          1HE       LYS  19  -4.350   1.249   6.579
  148   1HZ   LYS  19          2HZ       LYS  19  -2.485   0.023   8.497
  149   2HZ   LYS  19          1HZ       LYS  19  -4.135  -0.383   8.479
  150   3HZ   LYS  19          3HZ       LYS  19  -3.179  -0.654   7.101
  151    H    CYS  20           H        CYS  20  -0.357   0.837   3.584
  152    HA   CYS  20           HA       CYS  20  -1.700   0.125   1.042
  153   1HB   CYS  20          2HB       CYS  20   1.155  -0.218   2.016
  154   2HB   CYS  20          1HB       CYS  20   0.529  -1.024   0.614
  155    H    ASN  21           H        ASN  21  -2.941  -1.580   1.343
  156    HA   ASN  21           HA       ASN  21  -2.948  -3.167   3.743
  157   1HB   ASN  21          2HB       ASN  21  -4.673  -4.556   2.363
  158   2HB   ASN  21          1HB       ASN  21  -5.060  -2.879   2.671
  159   1HD2  ASN  21          2HD2      ASN  21  -3.602  -3.577  -1.104
  160   2HD2  ASN  21          1HD2      ASN  21  -2.772  -4.181   0.245
  161    H    ARG  22           H        ARG  22  -3.204  -5.620   3.446
  162    HA   ARG  22           HA       ARG  22  -0.704  -6.765   3.091
  163   1HB   ARG  22          2HB       ARG  22  -1.912  -8.906   3.412
  164   2HB   ARG  22          1HB       ARG  22  -2.455  -7.679   4.537
  165   1HG   ARG  22          2HG       ARG  22  -4.358  -7.169   2.863
  166   2HG   ARG  22          1HG       ARG  22  -3.861  -8.611   2.003
  167   1HD   ARG  22          2HD       ARG  22  -4.236  -9.089   4.914
  168   2HD   ARG  22          1HD       ARG  22  -5.692  -8.540   4.099
  169    HE   ARG  22           HE       ARG  22  -5.689 -10.523   2.782
  170   1HH1  ARG  22          2HH1      ARG  22  -2.772 -10.649   2.220
  171   2HH1  ARG  22          1HH1      ARG  22  -2.279 -12.059   3.101
  172   1HH2  ARG  22          1HH2      ARG  22  -5.197 -12.102   5.043
  173   2HH2  ARG  22          2HH2      ARG  22  -3.689 -12.902   4.745
  174    H    PHE  23           H        PHE  23  -3.049  -6.052   0.687
  175    HA   PHE  23           HA       PHE  23  -2.106  -8.064  -1.224
  176   1HB   PHE  23          2HB       PHE  23  -4.087  -5.797  -1.660
  177   2HB   PHE  23          1HB       PHE  23  -3.927  -7.286  -2.565
  178    HD1  PHE  23           HD1      PHE  23  -4.253  -9.520  -1.206
  179    HD2  PHE  23           HD2      PHE  23  -5.659  -5.716   0.106
  180    HE1  PHE  23           HE1      PHE  23  -5.848 -10.624   0.296
  181    HE2  PHE  23           HE2      PHE  23  -7.251  -6.824   1.606
  182    HZ   PHE  23           HZ       PHE  23  -7.349  -9.279   1.705
  183    H    ASN  24           H        ASN  24  -0.583  -5.643  -0.109
  184    HA   ASN  24           HA       ASN  24   0.927  -4.047  -0.806
  185   1HB   ASN  24          2HB       ASN  24   1.086  -5.943  -3.218
  186   2HB   ASN  24          1HB       ASN  24   2.308  -4.756  -2.789
  187   1HD2  ASN  24          2HD2      ASN  24   1.904  -8.106  -0.442
  188   2HD2  ASN  24          1HD2      ASN  24   0.586  -7.592  -1.379
  189    H    LYS  25           H        LYS  25  -1.703  -3.500  -1.338
  190    HA   LYS  25           HA       LYS  25  -1.514  -1.653  -3.668
  191   1HB   LYS  25          2HB       LYS  25  -3.630  -3.644  -2.863
  192   2HB   LYS  25          1HB       LYS  25  -4.177  -2.118  -3.506
  193   1HG   LYS  25          2HG       LYS  25  -2.774  -2.496  -5.542
  194   2HG   LYS  25          1HG       LYS  25  -2.177  -3.995  -4.862
  195   1HD   LYS  25          2HD       LYS  25  -5.152  -3.494  -5.311
  196   2HD   LYS  25          1HD       LYS  25  -4.122  -4.155  -6.565
  197   1HE   LYS  25          2HE       LYS  25  -3.447  -5.998  -4.936
  198   2HE   LYS  25          1HE       LYS  25  -4.681  -5.386  -3.841
  199   1HZ   LYS  25          2HZ       LYS  25  -6.307  -5.697  -5.628
  200   2HZ   LYS  25          1HZ       LYS  25  -5.102  -6.426  -6.575
  201   3HZ   LYS  25          3HZ       LYS  25  -5.582  -7.144  -5.113
  202    H    CYS  26           H        CYS  26  -2.971   0.295  -3.307
  203    HA   CYS  26           HA       CYS  26  -2.525   1.260  -0.623
  204   1HB   CYS  26          2HB       CYS  26  -3.927   2.382  -3.035
  205   2HB   CYS  26          1HB       CYS  26  -3.825   3.246  -1.533
  206    H    VAL  27           H        VAL  27  -4.297   2.442   0.468
  207    HA   VAL  27           HA       VAL  27  -6.830   0.855   0.547
  208    HB   VAL  27           HB       VAL  27  -5.322   1.981   2.949
  209   1HG1  VAL  27          1HG1      VAL  27  -7.705   0.085   2.650
  210   2HG1  VAL  27          3HG1      VAL  27  -6.850   0.312   4.167
  211   3HG1  VAL  27          2HG1      VAL  27  -7.707   1.659   3.435
  212   1HG2  VAL  27          1HG2      VAL  27  -5.372  -0.850   1.813
  213   2HG2  VAL  27          3HG2      VAL  27  -3.959   0.175   1.958
  214   3HG2  VAL  27          2HG2      VAL  27  -4.729  -0.455   3.399
   
  No H/Q in entry =         214
  Start of MODEL    2
    1   1H    CYS   1          2H        CYS   1  -1.789  12.648  -5.744
    2   2H    CYS   1          1H        CYS   1  -0.810  13.461  -4.618
    3   3H    CYS   1          3H        CYS   1  -0.108  12.415  -5.758
    4    HA   CYS   1           HA       CYS   1  -0.124  11.224  -3.768
    5   1HB   CYS   1          2HB       CYS   1  -1.830  11.306  -2.207
    6   2HB   CYS   1          1HB       CYS   1  -1.970  12.900  -2.881
    7    H    ARG   2           H        ARG   2  -0.508   8.994  -3.820
    8    HA   ARG   2           HA       ARG   2  -1.510   7.974  -6.352
    9   1HB   ARG   2          2HB       ARG   2   0.464   7.068  -4.941
   10   2HB   ARG   2          1HB       ARG   2  -0.743   6.351  -3.907
   11   1HG   ARG   2          2HG       ARG   2  -0.398   4.564  -5.284
   12   2HG   ARG   2          1HG       ARG   2  -1.699   5.337  -6.169
   13   1HD   ARG   2          2HD       ARG   2   1.232   5.941  -6.765
   14   2HD   ARG   2          1HD       ARG   2   0.364   4.628  -7.548
   15    HE   ARG   2           HE       ARG   2  -1.320   6.461  -8.242
   16   1HH1  ARG   2          1HH2      ARG   2   0.515   8.498  -6.830
   17   2HH1  ARG   2          2HH2      ARG   2   1.309   9.212  -8.195
   18   1HH2  ARG   2          2HH1      ARG   2   0.309   6.644 -10.364
   19   2HH2  ARG   2          1HH1      ARG   2   1.189   8.131 -10.254
   20    H    ILE   3           H        ILE   3  -3.412   7.114  -6.790
   21    HA   ILE   3           HA       ILE   3  -5.667   7.541  -5.140
   22    HB   ILE   3           HB       ILE   3  -6.877   6.423  -6.987
   23   1HG1  ILE   3          2HG1      ILE   3  -4.121   5.414  -7.834
   24   2HG1  ILE   3          1HG1      ILE   3  -5.459   4.432  -7.271
   25   1HG2  ILE   3          2HG2      ILE   3  -5.565   8.729  -7.244
   26   2HG2  ILE   3          1HG2      ILE   3  -4.574   7.820  -8.370
   27   3HG2  ILE   3          3HG2      ILE   3  -6.299   7.996  -8.653
   28   1HD1  ILE   3          3HD1      ILE   3  -6.581   5.850  -9.421
   29   2HD1  ILE   3          2HD1      ILE   3  -4.955   5.464  -9.958
   30   3HD1  ILE   3          1HD1      ILE   3  -6.042   4.184  -9.440
   31    HA   HYP   4           HA       HYP   4  -5.977   3.982  -2.544
   32   1HB   HYP   4          1HB       HYP   4  -8.082   4.097  -1.721
   33   2HB   HYP   4          2HB       HYP   4  -8.726   3.284  -3.138
   34   1HD   HYP   4          1HD1      HYP   4  -7.308   7.108  -3.704
   35   2HD   HYP   4          2HD1      HYP   4  -7.949   6.350  -5.168
   36    HOD  HYP   4           HD2      HYP   4  -9.751   6.694  -2.274
   37    HG   HYP   4           HG       HYP   4  -9.623   5.324  -3.881
   38    H    ASN   5           H        ASN   5  -6.315   1.696  -2.515
   39    HA   ASN   5           HA       ASN   5  -5.854  -0.412  -3.303
   40   1HB   ASN   5          2HB       ASN   5  -7.567  -1.281  -4.616
   41   2HB   ASN   5          1HB       ASN   5  -8.307   0.230  -4.150
   42   1HD2  ASN   5          2HD2      ASN   5  -8.478   1.472  -7.450
   43   2HD2  ASN   5          1HD2      ASN   5  -8.746   1.792  -5.805
   44    H    GLN   6           H        GLN   6  -4.391   2.049  -4.751
   45    HA   GLN   6           HA       GLN   6  -3.458   0.728  -7.178
   46   1HB   GLN   6          2HB       GLN   6  -3.708   3.299  -6.651
   47   2HB   GLN   6          1HB       GLN   6  -2.141   3.123  -5.894
   48   1HG   GLN   6          2HG       GLN   6  -1.706   3.778  -8.164
   49   2HG   GLN   6          1HG       GLN   6  -1.330   2.064  -8.096
   50   1HE2  GLN   6          2HE2      GLN   6  -3.293   2.399 -11.146
   51   2HE2  GLN   6          1HE2      GLN   6  -1.733   2.742 -10.571
   52    H    LYS   7           H        LYS   7  -1.547  -0.226  -7.509
   53    HA   LYS   7           HA       LYS   7  -0.297  -1.713  -5.515
   54   1HB   LYS   7          2HB       LYS   7  -0.098  -2.099  -7.987
   55   2HB   LYS   7          1HB       LYS   7   0.980  -0.725  -8.087
   56   1HG   LYS   7          2HG       LYS   7   2.737  -2.084  -7.598
   57   2HG   LYS   7          1HG       LYS   7   2.080  -2.338  -6.000
   58   1HD   LYS   7          2HD       LYS   7   2.264  -4.511  -6.825
   59   2HD   LYS   7          1HD       LYS   7   0.569  -4.142  -7.064
   60   1HE   LYS   7          2HE       LYS   7   0.796  -3.971  -9.406
   61   2HE   LYS   7          1HE       LYS   7   2.486  -3.500  -9.327
   62   1HZ   LYS   7          2HZ       LYS   7   2.909  -5.811  -8.486
   63   2HZ   LYS   7          1HZ       LYS   7   1.329  -6.185  -8.987
   64   3HZ   LYS   7          3HZ       LYS   7   2.477  -5.655 -10.121
   65    H    CYS   8           H        CYS   8   0.808  -1.096  -3.844
   66    HA   CYS   8           HA       CYS   8   2.902   0.998  -4.072
   67   1HB   CYS   8          2HB       CYS   8   2.150   1.985  -1.951
   68   2HB   CYS   8          1HB       CYS   8   0.991   2.168  -3.232
   69    H    PHE   9           H        PHE   9   4.476   0.894  -2.470
   70    HA   PHE   9           HA       PHE   9   4.813  -1.827  -1.294
   71   1HB   PHE   9          2HB       PHE   9   6.823   0.306  -2.098
   72   2HB   PHE   9          1HB       PHE   9   7.266  -1.200  -1.299
   73    HD1  PHE   9           HD1      PHE   9   5.640   0.201  -4.353
   74    HD2  PHE   9           HD2      PHE   9   7.339  -3.256  -2.529
   75    HE1  PHE   9           HE1      PHE   9   5.563  -0.970  -6.503
   76    HE2  PHE   9           HE2      PHE   9   7.262  -4.425  -4.682
   77    HZ   PHE   9           HZ       PHE   9   6.374  -3.288  -6.674
   78    H    GLN  10           H        GLN  10   5.560  -2.103   0.767
   79    HA   GLN  10           HA       GLN  10   4.563  -0.352   2.727
   80   1HB   GLN  10          2HB       GLN  10   6.406  -2.748   2.749
   81   2HB   GLN  10          1HB       GLN  10   6.047  -1.921   4.249
   82   1HG   GLN  10          2HG       GLN  10   3.930  -2.781   4.382
   83   2HG   GLN  10          1HG       GLN  10   3.576  -2.422   2.706
   84   1HE2  GLN  10          2HE2      GLN  10   3.327  -6.003   2.709
   85   2HE2  GLN  10          1HE2      GLN  10   2.434  -4.611   3.090
   86    H    HIS  11           H        HIS  11   7.607  -0.774   1.209
   87    HA   HIS  11           HA       HIS  11   9.187   0.917   2.965
   88   1HB   HIS  11          2HB       HIS  11   9.639  -0.878   0.724
   89   2HB   HIS  11          1HB       HIS  11  10.386   0.654   0.328
   90    HD1  HIS  11           HD1      HIS  11  12.749   0.460   0.998
   91    HD2  HIS  11           HD2      HIS  11  10.396  -1.354   3.798
   92    HE1  HIS  11           HE1      HIS  11  14.265  -0.322   2.777
   93    H    LEU  12           H        LEU  12   7.723   1.207  -0.208
   94    HA   LEU  12           HA       LEU  12   7.970   4.195  -0.091
   95   1HB   LEU  12          2HB       LEU  12   7.752   2.331  -2.503
   96   2HB   LEU  12          1HB       LEU  12   7.827   4.078  -2.601
   97    HG   LEU  12           HG       LEU  12  10.019   2.353  -1.339
   98   1HD1  LEU  12          3HD1      LEU  12   9.801   1.911  -3.773
   99   2HD1  LEU  12          2HD1      LEU  12   9.921   3.634  -4.100
  100   3HD1  LEU  12          1HD1      LEU  12  11.289   2.768  -3.419
  101   1HD2  LEU  12          1HD2      LEU  12   9.702   5.325  -1.861
  102   2HD2  LEU  12          3HD2      LEU  12  10.334   4.516  -0.436
  103   3HD2  LEU  12          2HD2      LEU  12  11.306   4.613  -1.891
  104    H    ASP  13           H        ASP  13   6.099   3.854   1.328
  105    HA   ASP  13           HA       ASP  13   3.523   3.184   0.047
  106   1HB   ASP  13          2HB       ASP  13   2.623   3.824   2.387
  107   2HB   ASP  13          1HB       ASP  13   3.706   2.449   2.339
  108    H    ASP  14           H        ASP  14   3.714   4.778  -1.551
  109    HA   ASP  14           HA       ASP  14   3.574   7.624  -0.844
  110   1HB   ASP  14          2HB       ASP  14   3.561   7.823  -3.391
  111   2HB   ASP  14          1HB       ASP  14   4.973   7.033  -2.725
  112    H    CYS  15           H        CYS  15   1.338   5.538  -0.354
  113    HA   CYS  15           HA       CYS  15  -0.874   6.228  -2.019
  114   1HB   CYS  15          2HB       CYS  15  -0.769   5.124   0.772
  115   2HB   CYS  15          1HB       CYS  15  -2.196   5.192  -0.220
  116    H    CYS  16           H        CYS  16  -2.660   7.469  -1.586
  117    HA   CYS  16           HA       CYS  16  -2.168  10.080  -0.497
  118   1HB   CYS  16          2HB       CYS  16  -4.026   9.051  -2.189
  119   2HB   CYS  16          1HB       CYS  16  -4.976   9.016  -0.735
  120    H    SER  17           H        SER  17  -3.562   7.131   0.649
  121    HA   SER  17           HA       SER  17  -4.361   8.141   3.270
  122   1HB   SER  17          2HB       SER  17  -5.021   5.730   3.588
  123   2HB   SER  17          1HB       SER  17  -5.702   6.354   2.084
  124    HG   SER  17           HG       SER  17  -3.360   5.606   1.384
  125    H    ARG  18           H        ARG  18  -1.677   6.786   1.683
  126    HA   ARG  18           HA       ARG  18   0.471   6.303   2.300
  127   1HB   ARG  18          2HB       ARG  18  -0.350   8.243   4.169
  128   2HB   ARG  18          1HB       ARG  18   0.202   6.953   5.206
  129   1HG   ARG  18          2HG       ARG  18   2.359   7.415   4.763
  130   2HG   ARG  18          1HG       ARG  18   2.115   7.320   3.033
  131   1HD   ARG  18          2HD       ARG  18   1.480   9.782   4.718
  132   2HD   ARG  18          1HD       ARG  18   2.910   9.582   3.711
  133    HE   ARG  18           HE       ARG  18   0.203   9.374   2.468
  134   1HH1  ARG  18          1HH2      ARG  18   1.862   9.341   0.360
  135   2HH1  ARG  18          2HH2      ARG  18   2.340  10.971   0.017
  136   1HH2  ARG  18          2HH1      ARG  18   1.391  12.127   3.187
  137   2HH2  ARG  18          1HH1      ARG  18   2.065  12.592   1.660
  138    H    LYS  19           H        LYS  19  -2.140   4.701   3.233
  139    HA   LYS  19           HA       LYS  19  -0.742   2.605   4.807
  140   1HB   LYS  19          2HB       LYS  19  -3.631   3.483   4.535
  141   2HB   LYS  19          1HB       LYS  19  -3.216   1.923   5.197
  142   1HG   LYS  19          2HG       LYS  19  -2.151   2.849   7.099
  143   2HG   LYS  19          1HG       LYS  19  -1.827   4.375   6.307
  144   1HD   LYS  19          2HD       LYS  19  -3.561   4.948   7.774
  145   2HD   LYS  19          1HD       LYS  19  -4.441   4.685   6.283
  146   1HE   LYS  19          2HE       LYS  19  -5.116   2.446   7.021
  147   2HE   LYS  19          1HE       LYS  19  -4.050   2.538   8.418
  148   1HZ   LYS  19          3HZ       LYS  19  -6.113   4.587   8.044
  149   2HZ   LYS  19          2HZ       LYS  19  -6.538   3.064   8.670
  150   3HZ   LYS  19          1HZ       LYS  19  -5.388   4.023   9.474
  151    H    CYS  20           H        CYS  20  -0.289   0.744   3.791
  152    HA   CYS  20           HA       CYS  20  -1.705   0.041   1.280
  153   1HB   CYS  20          2HB       CYS  20   1.173  -0.276   2.149
  154   2HB   CYS  20          1HB       CYS  20   0.503  -1.087   0.770
  155    H    ASN  21           H        ASN  21  -2.897  -1.703   1.535
  156    HA   ASN  21           HA       ASN  21  -2.783  -3.400   3.872
  157   1HB   ASN  21          2HB       ASN  21  -4.506  -4.781   2.522
  158   2HB   ASN  21          1HB       ASN  21  -4.930  -3.113   2.855
  159   1HD2  ASN  21          2HD2      ASN  21  -3.514  -3.684  -0.955
  160   2HD2  ASN  21          1HD2      ASN  21  -2.623  -4.252   0.363
  161    H    ARG  22           H        ARG  22  -2.913  -5.892   3.501
  162    HA   ARG  22           HA       ARG  22  -0.355  -6.823   2.871
  163   1HB   ARG  22          2HB       ARG  22  -1.230  -9.002   3.444
  164   2HB   ARG  22          1HB       ARG  22  -1.975  -7.832   4.507
  165   1HG   ARG  22          2HG       ARG  22  -4.003  -7.800   3.015
  166   2HG   ARG  22          1HG       ARG  22  -3.261  -9.034   2.012
  167   1HD   ARG  22          2HD       ARG  22  -4.606 -10.324   3.457
  168   2HD   ARG  22          1HD       ARG  22  -3.040 -10.407   4.254
  169    HE   ARG  22           HE       ARG  22  -4.542  -8.133   5.203
  170   1HH1  ARG  22          2HH1      ARG  22  -6.293 -10.710   5.178
  171   2HH1  ARG  22          1HH1      ARG  22  -6.089 -11.227   6.819
  172   1HH2  ARG  22          1HH2      ARG  22  -3.352  -9.116   7.366
  173   2HH2  ARG  22          2HH2      ARG  22  -4.386 -10.306   8.085
  174    H    PHE  23           H        PHE  23  -2.870  -6.081   0.810
  175    HA   PHE  23           HA       PHE  23  -2.244  -8.074  -1.276
  176   1HB   PHE  23          2HB       PHE  23  -4.357  -5.964  -0.826
  177   2HB   PHE  23          1HB       PHE  23  -4.012  -6.423  -2.482
  178    HD1  PHE  23           HD2      PHE  23  -4.960  -7.812   0.842
  179    HD2  PHE  23           HD1      PHE  23  -4.849  -8.455  -3.368
  180    HE1  PHE  23           HE2      PHE  23  -6.343  -9.820   1.112
  181    HE2  PHE  23           HE1      PHE  23  -6.234 -10.459  -3.099
  182    HZ   PHE  23           HZ       PHE  23  -6.984 -11.148  -0.859
  183    H    ASN  24           H        ASN  24  -0.666  -5.579  -0.180
  184    HA   ASN  24           HA       ASN  24   0.867  -4.047  -0.961
  185   1HB   ASN  24          2HB       ASN  24   0.924  -5.607  -3.590
  186   2HB   ASN  24          1HB       ASN  24   2.265  -4.836  -2.760
  187   1HD2  ASN  24          2HD2      ASN  24   1.895  -8.666  -2.193
  188   2HD2  ASN  24          1HD2      ASN  24   1.488  -7.776  -3.579
  189    H    LYS  25           H        LYS  25  -1.785  -3.464  -1.282
  190    HA   LYS  25           HA       LYS  25  -1.765  -1.568  -3.576
  191   1HB   LYS  25          2HB       LYS  25  -3.843  -3.551  -2.654
  192   2HB   LYS  25          1HB       LYS  25  -4.390  -2.019  -3.265
  193   1HG   LYS  25          2HG       LYS  25  -2.979  -2.458  -5.348
  194   2HG   LYS  25          1HG       LYS  25  -2.611  -4.043  -4.699
  195   1HD   LYS  25          2HD       LYS  25  -5.493  -3.114  -5.060
  196   2HD   LYS  25          1HD       LYS  25  -4.603  -3.858  -6.373
  197   1HE   LYS  25          2HE       LYS  25  -4.163  -5.848  -4.859
  198   2HE   LYS  25          1HE       LYS  25  -5.209  -5.095  -3.659
  199   1HZ   LYS  25          3HZ       LYS  25  -6.752  -4.996  -5.826
  200   2HZ   LYS  25          2HZ       LYS  25  -5.888  -6.431  -6.116
  201   3HZ   LYS  25          1HZ       LYS  25  -6.778  -6.250  -4.680
  202    H    CYS  26           H        CYS  26  -3.102   0.399  -3.090
  203    HA   CYS  26           HA       CYS  26  -2.613   1.255  -0.377
  204   1HB   CYS  26          2HB       CYS  26  -4.143   2.517  -2.670
  205   2HB   CYS  26          1HB       CYS  26  -3.811   3.315  -1.166
  206    H    VAL  27           H        VAL  27  -4.328   2.337   0.844
  207    HA   VAL  27           HA       VAL  27  -6.884   0.783   0.836
  208    HB   VAL  27           HB       VAL  27  -5.346   1.736   3.293
  209   1HG1  VAL  27          2HG1      VAL  27  -7.860   0.132   2.836
  210   2HG1  VAL  27          1HG1      VAL  27  -6.835  -0.364   4.170
  211   3HG1  VAL  27          3HG1      VAL  27  -7.481   1.264   4.125
  212   1HG2  VAL  27          3HG2      VAL  27  -5.288  -0.970   1.893
  213   2HG2  VAL  27          2HG2      VAL  27  -3.921   0.086   2.174
  214   3HG2  VAL  27          1HG2      VAL  27  -4.682  -0.726   3.523
   
  No H/Q in entry =         214
  Start of MODEL    3
    1   1H    CYS   1          3H        CYS   1  -0.727  12.754  -4.990
    2   2H    CYS   1          2H        CYS   1   0.501  12.979  -3.838
    3   3H    CYS   1          1H        CYS   1   0.624  11.724  -4.977
    4    HA   CYS   1           HA       CYS   1  -0.006  10.818  -2.863
    5   1HB   CYS   1          2HB       CYS   1  -1.559  11.858  -1.531
    6   2HB   CYS   1          1HB       CYS   1  -1.321  13.221  -2.565
    7    H    ARG   2           H        ARG   2  -0.412   8.876  -3.649
    8    HA   ARG   2           HA       ARG   2  -1.880   8.408  -6.095
    9   1HB   ARG   2          2HB       ARG   2  -0.227   6.837  -4.201
   10   2HB   ARG   2          1HB       ARG   2  -1.458   5.898  -4.987
   11   1HG   ARG   2          2HG       ARG   2  -0.087   7.651  -6.928
   12   2HG   ARG   2          1HG       ARG   2   1.073   6.715  -6.028
   13   1HD   ARG   2          2HD       ARG   2   0.565   4.843  -7.205
   14   2HD   ARG   2          1HD       ARG   2  -1.134   4.966  -6.781
   15    HE   ARG   2           HE       ARG   2   0.126   6.004  -9.237
   16   1HH1  ARG   2          2HH1      ARG   2  -1.811   7.985  -8.009
   17   2HH1  ARG   2          1HH1      ARG   2  -3.287   7.571  -8.815
   18   1HH2  ARG   2          1HH2      ARG   2  -2.064   4.479  -9.913
   19   2HH2  ARG   2          2HH2      ARG   2  -3.432   5.541  -9.919
   20    H    ILE   3           H        ILE   3  -3.541   6.827  -6.375
   21    HA   ILE   3           HA       ILE   3  -5.785   7.358  -4.636
   22    HB   ILE   3           HB       ILE   3  -6.922   5.753  -6.311
   23   1HG1  ILE   3          2HG1      ILE   3  -4.706   6.171  -8.259
   24   2HG1  ILE   3          1HG1      ILE   3  -4.296   5.048  -6.985
   25   1HG2  ILE   3          1HG2      ILE   3  -5.547   8.285  -7.297
   26   2HG2  ILE   3          3HG2      ILE   3  -6.909   7.513  -8.096
   27   3HG2  ILE   3          2HG2      ILE   3  -7.105   8.190  -6.490
   28   1HD1  ILE   3          2HD1      ILE   3  -6.794   4.855  -8.695
   29   2HD1  ILE   3          1HD1      ILE   3  -5.330   3.914  -8.936
   30   3HD1  ILE   3          3HD1      ILE   3  -6.276   3.699  -7.473
   31    HA   HYP   4           HA       HYP   4  -5.918   3.554  -2.195
   32   1HB   HYP   4          1HB       HYP   4  -8.070   3.356  -1.399
   33   2HB   HYP   4          2HB       HYP   4  -8.752   3.261  -3.011
   34   1HD   HYP   4          1HD1      HYP   4  -7.014   6.907  -2.874
   35   2HD   HYP   4          2HD1      HYP   4  -7.944   6.291  -4.251
   36    HOD  HYP   4           HD2      HYP   4  -8.616   5.304  -0.435
   37    HG   HYP   4           HG       HYP   4  -9.452   5.492  -2.565
   38    H    ASN   5           H        ASN   5  -6.248   1.359  -2.420
   39    HA   ASN   5           HA       ASN   5  -5.976  -0.697  -3.373
   40   1HB   ASN   5          2HB       ASN   5  -7.733  -1.330  -4.672
   41   2HB   ASN   5          1HB       ASN   5  -8.326   0.273  -4.328
   42   1HD2  ASN   5          2HD2      ASN   5  -8.575  -0.498  -7.996
   43   2HD2  ASN   5          1HD2      ASN   5  -9.058  -1.330  -6.599
   44    H    GLN   6           H        GLN   6  -4.583   1.926  -5.000
   45    HA   GLN   6           HA       GLN   6  -3.564   0.495  -7.281
   46   1HB   GLN   6          2HB       GLN   6  -3.735   2.998  -7.110
   47   2HB   GLN   6          1HB       GLN   6  -2.442   2.990  -5.929
   48   1HG   GLN   6          2HG       GLN   6  -1.544   3.473  -8.195
   49   2HG   GLN   6          1HG       GLN   6  -0.916   1.940  -7.629
   50   1HE2  GLN   6          2HE2      GLN   6  -3.636   2.027 -10.710
   51   2HE2  GLN   6          1HE2      GLN   6  -3.511   3.358  -9.665
   52    H    LYS   7           H        LYS   7  -1.793  -0.685  -7.521
   53    HA   LYS   7           HA       LYS   7  -0.578  -2.039  -5.430
   54   1HB   LYS   7          2HB       LYS   7  -0.590  -2.590  -7.937
   55   2HB   LYS   7          1HB       LYS   7   0.779  -1.514  -8.098
   56   1HG   LYS   7          2HG       LYS   7   1.737  -3.690  -7.824
   57   2HG   LYS   7          1HG       LYS   7   1.946  -2.911  -6.274
   58   1HD   LYS   7          2HD       LYS   7   1.081  -4.959  -5.567
   59   2HD   LYS   7          1HD       LYS   7  -0.418  -4.070  -5.722
   60   1HE   LYS   7          2HE       LYS   7  -0.556  -4.965  -8.130
   61   2HE   LYS   7          1HE       LYS   7   0.733  -6.072  -7.673
   62   1HZ   LYS   7          3HZ       LYS   7  -0.662  -6.814  -5.821
   63   2HZ   LYS   7          2HZ       LYS   7  -1.913  -5.807  -6.371
   64   3HZ   LYS   7          1HZ       LYS   7  -1.377  -7.100  -7.334
   65    H    CYS   8           H        CYS   8   0.437  -1.184  -3.810
   66    HA   CYS   8           HA       CYS   8   2.873   0.472  -4.237
   67   1HB   CYS   8          2HB       CYS   8   2.233   1.877  -2.330
   68   2HB   CYS   8          1HB       CYS   8   1.101   2.006  -3.644
   69    H    PHE   9           H        PHE   9   4.402   0.294  -2.560
   70    HA   PHE   9           HA       PHE   9   4.333  -2.328  -1.210
   71   1HB   PHE   9          2HB       PHE   9   6.587  -0.291  -1.280
   72   2HB   PHE   9          1HB       PHE   9   6.714  -1.974  -0.817
   73    HD1  PHE   9           HD2      PHE   9   6.612  -3.756  -2.517
   74    HD2  PHE   9           HD1      PHE   9   6.307   0.342  -3.660
   75    HE1  PHE   9           HE2      PHE   9   7.002  -4.376  -4.859
   76    HE2  PHE   9           HE1      PHE   9   6.698  -0.281  -5.997
   77    HZ   PHE   9           HZ       PHE   9   7.047  -2.639  -6.602
   78    H    GLN  10           H        GLN  10   4.629  -2.669   0.919
   79    HA   GLN  10           HA       GLN  10   3.286  -1.078   2.761
   80   1HB   GLN  10          2HB       GLN  10   5.473  -3.057   3.502
   81   2HB   GLN  10          1HB       GLN  10   4.080  -2.620   4.463
   82   1HG   GLN  10          2HG       GLN  10   4.059  -4.230   1.869
   83   2HG   GLN  10          1HG       GLN  10   3.682  -4.810   3.477
   84   1HE2  GLN  10          2HE2      GLN  10   0.815  -2.969   1.298
   85   2HE2  GLN  10          1HE2      GLN  10   2.374  -3.241   0.687
   86    H    HIS  11           H        HIS  11   6.417  -0.744   1.574
   87    HA   HIS  11           HA       HIS  11   7.331   1.007   3.809
   88   1HB   HIS  11          2HB       HIS  11   9.178   0.259   1.538
   89   2HB   HIS  11          1HB       HIS  11   9.528   0.412   3.253
   90    HD1  HIS  11           HD1      HIS  11   8.630  -2.075   0.763
   91    HD2  HIS  11           HD2      HIS  11   8.643  -1.890   4.838
   92    HE1  HIS  11           HE1      HIS  11   8.421  -4.398   1.565
   93    H    LEU  12           H        LEU  12   7.145   0.798   0.301
   94    HA   LEU  12           HA       LEU  12   7.447   3.740   0.025
   95   1HB   LEU  12          2HB       LEU  12   7.171   1.556  -2.093
   96   2HB   LEU  12          1HB       LEU  12   7.530   3.234  -2.424
   97    HG   LEU  12           HG       LEU  12   9.313   1.513  -0.636
   98   1HD1  LEU  12          3HD1      LEU  12   9.594   2.069  -3.621
   99   2HD1  LEU  12          2HD1      LEU  12  10.777   1.244  -2.621
  100   3HD1  LEU  12          1HD1      LEU  12   9.209   0.512  -2.905
  101   1HD2  LEU  12          1HD2      LEU  12   9.674   4.198  -2.043
  102   2HD2  LEU  12          3HD2      LEU  12   9.689   3.900  -0.312
  103   3HD2  LEU  12          2HD2      LEU  12  10.999   3.306  -1.314
  104    H    ASP  13           H        ASP  13   5.406   3.638   1.353
  105    HA   ASP  13           HA       ASP  13   2.901   3.110  -0.057
  106   1HB   ASP  13          2HB       ASP  13   3.275   4.717   2.523
  107   2HB   ASP  13          1HB       ASP  13   1.839   3.850   2.007
  108    H    ASP  14           H        ASP  14   2.821   4.324  -1.807
  109    HA   ASP  14           HA       ASP  14   3.414   7.204  -1.818
  110   1HB   ASP  14          2HB       ASP  14   2.698   6.836  -4.304
  111   2HB   ASP  14          1HB       ASP  14   4.187   6.083  -3.767
  112    H    CYS  15           H        CYS  15   0.796   5.205  -1.237
  113    HA   CYS  15           HA       CYS  15  -1.443   6.414  -2.340
  114   1HB   CYS  15          2HB       CYS  15  -1.346   5.390   0.460
  115   2HB   CYS  15          1HB       CYS  15  -2.664   5.234  -0.672
  116    H    CYS  16           H        CYS  16  -3.014   7.776  -1.547
  117    HA   CYS  16           HA       CYS  16  -2.019  10.227  -0.361
  118   1HB   CYS  16          2HB       CYS  16  -4.097   9.675  -2.025
  119   2HB   CYS  16          1HB       CYS  16  -4.973   9.631  -0.523
  120    H    SER  17           H        SER  17  -3.831   7.427   0.630
  121    HA   SER  17           HA       SER  17  -4.364   8.330   3.343
  122   1HB   SER  17          2HB       SER  17  -5.564   6.248   3.513
  123   2HB   SER  17          1HB       SER  17  -5.765   6.677   1.814
  124    HG   SER  17           HG       SER  17  -4.938   4.496   2.305
  125    H    ARG  18           H        ARG  18  -1.658   7.476   1.834
  126    HA   ARG  18           HA       ARG  18   0.381   6.506   2.316
  127   1HB   ARG  18          2HB       ARG  18   1.359   7.379   4.384
  128   2HB   ARG  18          1HB       ARG  18   0.330   8.605   3.682
  129   1HG   ARG  18          2HG       ARG  18  -1.414   8.218   5.318
  130   2HG   ARG  18          1HG       ARG  18  -0.626   6.780   5.935
  131   1HD   ARG  18          2HD       ARG  18   0.390   8.122   7.466
  132   2HD   ARG  18          1HD       ARG  18   1.329   8.845   6.169
  133    HE   ARG  18           HE       ARG  18  -1.027  10.012   7.465
  134   1HH1  ARG  18          1HH2      ARG  18  -1.538  10.149   4.539
  135   2HH1  ARG  18          2HH2      ARG  18  -0.787  11.646   4.095
  136   1HH2  ARG  18          2HH1      ARG  18   1.086  11.814   7.052
  137   2HH2  ARG  18          1HH1      ARG  18   0.739  12.613   5.556
  138    H    LYS  19           H        LYS  19  -1.917   4.742   2.729
  139    HA   LYS  19           HA       LYS  19  -0.641   2.726   4.495
  140   1HB   LYS  19          2HB       LYS  19  -3.446   3.803   4.463
  141   2HB   LYS  19          1HB       LYS  19  -3.247   2.095   4.735
  142   1HG   LYS  19          2HG       LYS  19  -1.582   2.700   6.601
  143   2HG   LYS  19          1HG       LYS  19  -2.047   4.377   6.368
  144   1HD   LYS  19          2HD       LYS  19  -4.407   3.814   6.890
  145   2HD   LYS  19          1HD       LYS  19  -3.984   2.119   7.055
  146   1HE   LYS  19          2HE       LYS  19  -2.273   2.948   8.872
  147   2HE   LYS  19          1HE       LYS  19  -3.228   4.426   8.866
  148   1HZ   LYS  19          2HZ       LYS  19  -5.207   2.924   9.188
  149   2HZ   LYS  19          1HZ       LYS  19  -4.094   1.690   9.543
  150   3HZ   LYS  19          3HZ       LYS  19  -4.148   3.088  10.507
  151    H    CYS  20           H        CYS  20  -0.252   0.883   3.479
  152    HA   CYS  20           HA       CYS  20  -1.736   0.219   1.001
  153   1HB   CYS  20          2HB       CYS  20   1.148  -0.242   1.840
  154   2HB   CYS  20          1HB       CYS  20   0.426  -0.961   0.439
  155    H    ASN  21           H        ASN  21  -2.912  -1.598   1.238
  156    HA   ASN  21           HA       ASN  21  -2.942  -3.104   3.682
  157   1HB   ASN  21          2HB       ASN  21  -4.652  -4.483   2.520
  158   2HB   ASN  21          1HB       ASN  21  -4.939  -2.773   2.274
  159   1HD2  ASN  21          2HD2      ASN  21  -5.341  -3.893  -1.076
  160   2HD2  ASN  21          1HD2      ASN  21  -6.191  -3.579   0.359
  161    H    ARG  22           H        ARG  22  -3.218  -5.671   3.177
  162    HA   ARG  22           HA       ARG  22  -0.561  -6.601   3.001
  163   1HB   ARG  22          2HB       ARG  22  -1.546  -8.780   3.515
  164   2HB   ARG  22          1HB       ARG  22  -2.239  -7.543   4.528
  165   1HG   ARG  22          2HG       ARG  22  -4.309  -8.117   3.858
  166   2HG   ARG  22          1HG       ARG  22  -3.930  -7.655   2.216
  167   1HD   ARG  22          2HD       ARG  22  -3.478  -9.856   1.553
  168   2HD   ARG  22          1HD       ARG  22  -2.958 -10.364   3.156
  169    HE   ARG  22           HE       ARG  22  -5.762 -10.157   2.230
  170   1HH1  ARG  22          1HH2      ARG  22  -5.665  -9.239   5.009
  171   2HH1  ARG  22          2HH2      ARG  22  -5.823 -10.706   5.917
  172   1HH2  ARG  22          2HH1      ARG  22  -4.987 -12.723   3.176
  173   2HH2  ARG  22          1HH1      ARG  22  -5.429 -12.731   4.850
  174    H    PHE  23           H        PHE  23  -2.910  -6.121   0.603
  175    HA   PHE  23           HA       PHE  23  -1.903  -8.187  -1.229
  176   1HB   PHE  23          2HB       PHE  23  -3.944  -5.954  -1.610
  177   2HB   PHE  23          1HB       PHE  23  -3.627  -7.256  -2.726
  178    HD1  PHE  23           HD1      PHE  23  -4.191  -9.639  -2.060
  179    HD2  PHE  23           HD2      PHE  23  -5.383  -6.285   0.284
  180    HE1  PHE  23           HE1      PHE  23  -5.865 -11.024  -0.919
  181    HE2  PHE  23           HE2      PHE  23  -7.052  -7.672   1.419
  182    HZ   PHE  23           HZ       PHE  23  -7.298 -10.043   0.820
  183    H    ASN  24           H        ASN  24  -0.510  -5.637  -0.118
  184    HA   ASN  24           HA       ASN  24   0.980  -4.014  -0.817
  185   1HB   ASN  24          2HB       ASN  24   1.244  -6.103  -3.058
  186   2HB   ASN  24          1HB       ASN  24   2.308  -4.709  -2.938
  187   1HD2  ASN  24          2HD2      ASN  24   3.911  -5.847   0.065
  188   2HD2  ASN  24          1HD2      ASN  24   3.432  -4.436  -0.748
  189    H    LYS  25           H        LYS  25  -1.658  -3.636  -1.330
  190    HA   LYS  25           HA       LYS  25  -1.732  -1.920  -3.762
  191   1HB   LYS  25          2HB       LYS  25  -3.755  -3.739  -2.445
  192   2HB   LYS  25          1HB       LYS  25  -4.313  -2.322  -3.293
  193   1HG   LYS  25          2HG       LYS  25  -3.379  -3.114  -5.400
  194   2HG   LYS  25          1HG       LYS  25  -2.422  -4.327  -4.578
  195   1HD   LYS  25          2HD       LYS  25  -4.355  -5.395  -5.641
  196   2HD   LYS  25          1HD       LYS  25  -4.476  -5.545  -3.904
  197   1HE   LYS  25          2HE       LYS  25  -5.864  -3.259  -5.359
  198   2HE   LYS  25          1HE       LYS  25  -6.617  -4.835  -5.207
  199   1HZ   LYS  25          3HZ       LYS  25  -5.730  -4.265  -2.689
  200   2HZ   LYS  25          2HZ       LYS  25  -6.331  -2.785  -3.266
  201   3HZ   LYS  25          1HZ       LYS  25  -7.328  -4.160  -3.253
  202    H    CYS  26           H        CYS  26  -3.163   0.020  -3.391
  203    HA   CYS  26           HA       CYS  26  -2.480   1.202  -0.814
  204   1HB   CYS  26          2HB       CYS  26  -3.818   2.171  -3.315
  205   2HB   CYS  26          1HB       CYS  26  -3.884   3.133  -1.872
  206    H    VAL  27           H        VAL  27  -4.181   2.610   0.159
  207    HA   VAL  27           HA       VAL  27  -6.796   1.210   0.482
  208    HB   VAL  27           HB       VAL  27  -5.013   2.280   2.727
  209   1HG1  VAL  27          2HG1      VAL  27  -7.754   0.955   2.685
  210   2HG1  VAL  27          1HG1      VAL  27  -6.733   0.821   4.106
  211   3HG1  VAL  27          3HG1      VAL  27  -7.254   2.399   3.553
  212   1HG2  VAL  27          1HG2      VAL  27  -5.589  -0.585   1.822
  213   2HG2  VAL  27          3HG2      VAL  27  -4.029   0.213   1.801
  214   3HG2  VAL  27          2HG2      VAL  27  -4.783  -0.186   3.329
   
  No H/Q in entry =         214
  Start of MODEL    4
    1   1H    CYS   1          1H        CYS   1   0.554  11.461  -5.366
    2   2H    CYS   1          3H        CYS   1  -0.780  12.507  -5.350
    3   3H    CYS   1          2H        CYS   1   0.508  12.762  -4.273
    4    HA   CYS   1           HA       CYS   1   0.020  10.682  -3.156
    5   1HB   CYS   1          2HB       CYS   1  -1.521  11.759  -1.851
    6   2HB   CYS   1          1HB       CYS   1  -1.299  13.085  -2.941
    7    H    ARG   2           H        ARG   2  -0.386   8.678  -3.806
    8    HA   ARG   2           HA       ARG   2  -1.998   8.069  -6.154
    9   1HB   ARG   2          2HB       ARG   2  -0.431   6.396  -4.167
   10   2HB   ARG   2          1HB       ARG   2  -1.417   5.647  -5.408
   11   1HG   ARG   2          2HG       ARG   2  -0.119   7.267  -7.048
   12   2HG   ARG   2          1HG       ARG   2   1.009   7.444  -5.721
   13   1HD   ARG   2          2HD       ARG   2   2.000   5.500  -6.345
   14   2HD   ARG   2          1HD       ARG   2   0.512   4.623  -6.000
   15    HE   ARG   2           HE       ARG   2   0.035   5.694  -8.487
   16   1HH1  ARG   2          2HH1      ARG   2   1.014   2.841  -7.417
   17   2HH1  ARG   2          1HH1      ARG   2   2.127   2.456  -8.687
   18   1HH2  ARG   2          1HH2      ARG   2   2.111   5.726  -9.951
   19   2HH2  ARG   2          2HH2      ARG   2   2.767   4.136 -10.161
   20    H    ILE   3           H        ILE   3  -3.860   6.842  -6.295
   21    HA   ILE   3           HA       ILE   3  -5.783   7.269  -4.205
   22    HB   ILE   3           HB       ILE   3  -7.235   5.864  -5.805
   23   1HG1  ILE   3          2HG1      ILE   3  -5.339   6.237  -8.052
   24   2HG1  ILE   3          1HG1      ILE   3  -4.708   5.132  -6.864
   25   1HG2  ILE   3          2HG2      ILE   3  -5.812   8.337  -6.864
   26   2HG2  ILE   3          1HG2      ILE   3  -7.333   7.711  -7.481
   27   3HG2  ILE   3          3HG2      ILE   3  -7.239   8.323  -5.839
   28   1HD1  ILE   3          2HD1      ILE   3  -7.505   4.505  -7.399
   29   2HD1  ILE   3          1HD1      ILE   3  -6.540   4.509  -8.865
   30   3HD1  ILE   3          3HD1      ILE   3  -6.074   3.494  -7.515
   31    HA   HYP   4           HA       HYP   4  -5.987   3.251  -2.060
   32   1HB   HYP   4          1HB       HYP   4  -8.162   2.964  -1.365
   33   2HB   HYP   4          2HB       HYP   4  -8.811   3.175  -2.981
   34   1HD   HYP   4          1HD1      HYP   4  -6.861   6.626  -2.255
   35   2HD   HYP   4          2HD1      HYP   4  -7.872   6.343  -3.682
   36    HOD  HYP   4           HD2      HYP   4  -8.008   6.223  -0.489
   37    HG   HYP   4           HG       HYP   4  -9.407   5.339  -2.161
   38    H    ASN   5           H        ASN   5  -6.167   1.108  -2.547
   39    HA   ASN   5           HA       ASN   5  -5.943  -0.837  -3.731
   40   1HB   ASN   5          2HB       ASN   5  -7.656  -1.302  -5.175
   41   2HB   ASN   5          1HB       ASN   5  -8.264   0.249  -4.664
   42   1HD2  ASN   5          2HD2      ASN   5  -8.402  -0.045  -8.395
   43   2HD2  ASN   5          1HD2      ASN   5  -8.970  -1.002  -7.113
   44    H    GLN   6           H        GLN   6  -4.565   1.985  -4.907
   45    HA   GLN   6           HA       GLN   6  -3.392   1.024  -7.343
   46   1HB   GLN   6          2HB       GLN   6  -3.637   3.450  -6.381
   47   2HB   GLN   6          1HB       GLN   6  -2.125   3.137  -5.567
   48   1HG   GLN   6          2HG       GLN   6  -0.926   3.395  -7.480
   49   2HG   GLN   6          1HG       GLN   6  -1.983   2.349  -8.410
   50   1HE2  GLN   6          2HE2      GLN   6  -2.575   6.392  -8.462
   51   2HE2  GLN   6          1HE2      GLN   6  -1.502   5.696  -7.345
   52    H    LYS   7           H        LYS   7  -1.791  -0.357  -7.618
   53    HA   LYS   7           HA       LYS   7  -0.595  -1.933  -5.679
   54   1HB   LYS   7          2HB       LYS   7  -0.180  -1.396  -8.533
   55   2HB   LYS   7          1HB       LYS   7   1.353  -1.731  -7.765
   56   1HG   LYS   7          2HG       LYS   7  -1.098  -3.501  -7.425
   57   2HG   LYS   7          1HG       LYS   7   0.120  -3.772  -8.650
   58   1HD   LYS   7          2HD       LYS   7   1.201  -3.405  -5.881
   59   2HD   LYS   7          1HD       LYS   7   0.216  -4.838  -6.096
   60   1HE   LYS   7          2HE       LYS   7   1.676  -5.624  -7.893
   61   2HE   LYS   7          1HE       LYS   7   2.560  -4.102  -7.898
   62   1HZ   LYS   7          3HZ       LYS   7   2.374  -5.644  -5.413
   63   2HZ   LYS   7          2HZ       LYS   7   3.471  -6.129  -6.616
   64   3HZ   LYS   7          1HZ       LYS   7   3.585  -4.576  -5.939
   65    H    CYS   8           H        CYS   8   0.306  -1.162  -3.952
   66    HA   CYS   8           HA       CYS   8   2.810   0.421  -4.161
   67   1HB   CYS   8          2HB       CYS   8   2.097   1.908  -2.402
   68   2HB   CYS   8          1HB       CYS   8   0.931   1.951  -3.688
   69    H    PHE   9           H        PHE   9   4.338  -0.275  -2.834
   70    HA   PHE   9           HA       PHE   9   3.784  -2.656  -1.180
   71   1HB   PHE   9          2HB       PHE   9   5.787  -2.384  -2.822
   72   2HB   PHE   9          1HB       PHE   9   6.502  -1.346  -1.599
   73    HD1  PHE   9           HD1      PHE   9   4.907  -4.720  -1.939
   74    HD2  PHE   9           HD2      PHE   9   7.801  -2.348   0.093
   75    HE1  PHE   9           HE1      PHE   9   5.683  -6.704  -0.721
   76    HE2  PHE   9           HE2      PHE   9   8.572  -4.333   1.309
   77    HZ   PHE   9           HZ       PHE   9   7.516  -6.513   0.906
   78    H    GLN  10           H        GLN  10   4.834  -2.831   0.912
   79    HA   GLN  10           HA       GLN  10   3.866  -1.049   2.794
   80   1HB   GLN  10          2HB       GLN  10   6.126  -3.091   2.895
   81   2HB   GLN  10          1HB       GLN  10   5.623  -2.220   4.330
   82   1HG   GLN  10          2HG       GLN  10   4.354  -4.243   4.396
   83   2HG   GLN  10          1HG       GLN  10   3.208  -3.057   3.795
   84   1HE2  GLN  10          2HE2      GLN  10   2.913  -4.569   0.597
   85   2HE2  GLN  10          1HE2      GLN  10   2.571  -3.196   1.534
   86    H    HIS  11           H        HIS  11   7.033  -1.264   1.354
   87    HA   HIS  11           HA       HIS  11   8.112   1.072   2.766
   88   1HB   HIS  11          2HB       HIS  11   9.205  -0.715   0.546
   89   2HB   HIS  11          1HB       HIS  11  10.106   0.636   1.222
   90    HD1  HIS  11           HD1      HIS  11  11.484  -0.042   3.176
   91    HD2  HIS  11           HD2      HIS  11   8.333  -2.604   2.770
   92    HE1  HIS  11           HE1      HIS  11  11.762  -1.765   4.919
   93    H    LEU  12           H        LEU  12   6.812   0.225  -0.354
   94    HA   LEU  12           HA       LEU  12   7.250   2.937  -1.466
   95   1HB   LEU  12          2HB       LEU  12   5.911   0.488  -2.691
   96   2HB   LEU  12          1HB       LEU  12   6.331   1.943  -3.559
   97    HG   LEU  12           HG       LEU  12   8.377   0.157  -2.148
   98   1HD1  LEU  12          2HD1      LEU  12   7.495   0.236  -5.064
   99   2HD1  LEU  12          1HD1      LEU  12   8.948  -0.574  -4.505
  100   3HD1  LEU  12          3HD1      LEU  12   7.377  -1.125  -3.962
  101   1HD2  LEU  12          2HD2      LEU  12   8.582   2.565  -4.001
  102   2HD2  LEU  12          1HD2      LEU  12   9.311   2.353  -2.417
  103   3HD2  LEU  12          3HD2      LEU  12   9.921   1.449  -3.788
  104    H    ASP  13           H        ASP  13   5.735   3.040   0.730
  105    HA   ASP  13           HA       ASP  13   2.875   2.968   0.155
  106   1HB   ASP  13          2HB       ASP  13   3.784   2.477   2.415
  107   2HB   ASP  13          1HB       ASP  13   4.478   4.084   2.506
  108    H    ASP  14           H        ASP  14   3.071   4.243  -1.714
  109    HA   ASP  14           HA       ASP  14   3.569   7.132  -1.514
  110   1HB   ASP  14          2HB       ASP  14   3.012   6.879  -4.070
  111   2HB   ASP  14          1HB       ASP  14   4.511   6.211  -3.460
  112    H    CYS  15           H        CYS  15   0.968   5.282  -0.820
  113    HA   CYS  15           HA       CYS  15  -1.183   6.473  -2.208
  114   1HB   CYS  15          2HB       CYS  15  -1.339   5.446   0.601
  115   2HB   CYS  15          1HB       CYS  15  -2.558   5.385  -0.649
  116    H    CYS  16           H        CYS  16  -2.826   7.756  -1.464
  117    HA   CYS  16           HA       CYS  16  -1.983  10.303  -0.368
  118   1HB   CYS  16          2HB       CYS  16  -3.884   9.562  -2.144
  119   2HB   CYS  16          1HB       CYS  16  -4.880   9.573  -0.720
  120    H    SER  17           H        SER  17  -3.606   7.462   0.660
  121    HA   SER  17           HA       SER  17  -4.448   8.455   3.279
  122   1HB   SER  17          2HB       SER  17  -5.310   6.107   3.481
  123   2HB   SER  17          1HB       SER  17  -5.813   6.795   1.931
  124    HG   SER  17           HG       SER  17  -4.070   5.807   0.960
  125    H    ARG  18           H        ARG  18  -1.720   7.199   1.812
  126    HA   ARG  18           HA       ARG  18   0.333   6.427   2.500
  127   1HB   ARG  18          2HB       ARG  18  -0.640   7.994   4.952
  128   2HB   ARG  18          1HB       ARG  18   0.862   7.106   5.047
  129   1HG   ARG  18          2HG       ARG  18   1.612   9.182   4.326
  130   2HG   ARG  18          1HG       ARG  18   1.492   8.316   2.810
  131   1HD   ARG  18          2HD       ARG  18  -0.869   9.303   2.573
  132   2HD   ARG  18          1HD       ARG  18  -0.494  10.326   3.955
  133    HE   ARG  18           HE       ARG  18   1.611  10.889   2.389
  134   1HH1  ARG  18          2HH1      ARG  18   1.314  10.606  -0.121
  135   2HH1  ARG  18          1HH1      ARG  18   0.038  11.609  -0.724
  136   1HH2  ARG  18          1HH2      ARG  18  -1.356  12.109   2.442
  137   2HH2  ARG  18          2HH2      ARG  18  -1.505  12.478   0.755
  138    H    LYS  19           H        LYS  19  -1.875   4.691   2.557
  139    HA   LYS  19           HA       LYS  19  -0.942   2.682   4.513
  140   1HB   LYS  19          2HB       LYS  19  -3.685   3.840   4.124
  141   2HB   LYS  19          1HB       LYS  19  -3.557   2.128   4.432
  142   1HG   LYS  19          2HG       LYS  19  -2.282   2.580   6.516
  143   2HG   LYS  19          1HG       LYS  19  -2.310   4.302   6.176
  144   1HD   LYS  19          2HD       LYS  19  -4.775   4.329   6.331
  145   2HD   LYS  19          1HD       LYS  19  -4.804   2.595   6.594
  146   1HE   LYS  19          2HE       LYS  19  -3.329   4.532   8.430
  147   2HE   LYS  19          1HE       LYS  19  -4.971   3.980   8.722
  148   1HZ   LYS  19          3HZ       LYS  19  -4.079   1.674   8.604
  149   2HZ   LYS  19          2HZ       LYS  19  -2.516   2.337   8.601
  150   3HZ   LYS  19          1HZ       LYS  19  -3.542   2.589   9.931
  151    H    CYS  20           H        CYS  20  -0.397   0.892   3.516
  152    HA   CYS  20           HA       CYS  20  -1.666   0.152   0.942
  153   1HB   CYS  20          2HB       CYS  20   1.194  -0.033   1.927
  154   2HB   CYS  20          1HB       CYS  20   0.620  -0.911   0.544
  155    H    ASN  21           H        ASN  21  -2.902  -1.557   1.330
  156    HA   ASN  21           HA       ASN  21  -2.774  -3.149   3.713
  157   1HB   ASN  21          2HB       ASN  21  -4.513  -4.582   2.422
  158   2HB   ASN  21          1HB       ASN  21  -4.931  -2.911   2.721
  159   1HD2  ASN  21          2HD2      ASN  21  -3.613  -3.647  -1.098
  160   2HD2  ASN  21          1HD2      ASN  21  -2.720  -4.218   0.223
  161    H    ARG  22           H        ARG  22  -2.980  -5.568   3.482
  162    HA   ARG  22           HA       ARG  22  -0.500  -6.716   3.055
  163   1HB   ARG  22          2HB       ARG  22  -1.695  -8.856   3.435
  164   2HB   ARG  22          1HB       ARG  22  -2.184  -7.614   4.565
  165   1HG   ARG  22          2HG       ARG  22  -4.036  -7.190   2.564
  166   2HG   ARG  22          1HG       ARG  22  -3.732  -8.900   2.340
  167   1HD   ARG  22          2HD       ARG  22  -4.444  -7.668   5.042
  168   2HD   ARG  22          1HD       ARG  22  -5.640  -8.350   3.947
  169    HE   ARG  22           HE       ARG  22  -3.541  -9.876   5.390
  170   1HH1  ARG  22          2HH1      ARG  22  -4.236 -10.770   2.529
  171   2HH1  ARG  22          1HH1      ARG  22  -5.407 -12.004   2.854
  172   1HH2  ARG  22          1HH2      ARG  22  -5.878 -10.968   6.165
  173   2HH2  ARG  22          2HH2      ARG  22  -6.361 -12.120   4.965
  174    H    PHE  23           H        PHE  23  -2.918  -6.065   0.711
  175    HA   PHE  23           HA       PHE  23  -2.004  -8.106  -1.189
  176   1HB   PHE  23          2HB       PHE  23  -4.085  -5.889  -1.424
  177   2HB   PHE  23          1HB       PHE  23  -3.859  -7.217  -2.544
  178    HD1  PHE  23           HD1      PHE  23  -3.989  -9.639  -1.517
  179    HD2  PHE  23           HD2      PHE  23  -5.563  -6.173   0.405
  180    HE1  PHE  23           HE1      PHE  23  -5.433 -11.059  -0.134
  181    HE2  PHE  23           HE2      PHE  23  -7.006  -7.600   1.785
  182    HZ   PHE  23           HZ       PHE  23  -6.944 -10.044   1.519
  183    H    ASN  24           H        ASN  24  -0.492  -5.652  -0.151
  184    HA   ASN  24           HA       ASN  24   0.989  -4.051  -0.900
  185   1HB   ASN  24          2HB       ASN  24   1.136  -5.882  -3.357
  186   2HB   ASN  24          1HB       ASN  24   2.398  -4.797  -2.788
  187   1HD2  ASN  24          2HD2      ASN  24   3.431  -6.950  -0.139
  188   2HD2  ASN  24          1HD2      ASN  24   3.453  -5.350  -0.704
  189    H    LYS  25           H        LYS  25  -1.645  -3.499  -1.341
  190    HA   LYS  25           HA       LYS  25  -1.532  -1.692  -3.703
  191   1HB   LYS  25          2HB       LYS  25  -3.612  -3.704  -2.865
  192   2HB   LYS  25          1HB       LYS  25  -4.180  -2.178  -3.483
  193   1HG   LYS  25          2HG       LYS  25  -2.716  -2.560  -5.524
  194   2HG   LYS  25          1HG       LYS  25  -2.262  -4.121  -4.863
  195   1HD   LYS  25          2HD       LYS  25  -4.418  -5.031  -5.156
  196   2HD   LYS  25          1HD       LYS  25  -5.201  -3.460  -5.175
  197   1HE   LYS  25          2HE       LYS  25  -4.140  -2.980  -7.397
  198   2HE   LYS  25          1HE       LYS  25  -3.425  -4.587  -7.379
  199   1HZ   LYS  25          3HZ       LYS  25  -5.869  -5.300  -6.967
  200   2HZ   LYS  25          2HZ       LYS  25  -6.227  -3.796  -7.670
  201   3HZ   LYS  25          1HZ       LYS  25  -5.328  -4.947  -8.539
  202    H    CYS  26           H        CYS  26  -2.941   0.243  -3.346
  203    HA   CYS  26           HA       CYS  26  -2.514   1.257  -0.686
  204   1HB   CYS  26          2HB       CYS  26  -3.936   2.290  -3.115
  205   2HB   CYS  26          1HB       CYS  26  -3.918   3.186  -1.627
  206    H    VAL  27           H        VAL  27  -4.285   2.434   0.399
  207    HA   VAL  27           HA       VAL  27  -6.805   0.845   0.551
  208    HB   VAL  27           HB       VAL  27  -5.241   1.947   2.912
  209   1HG1  VAL  27          1HG1      VAL  27  -7.645   0.082   2.658
  210   2HG1  VAL  27          3HG1      VAL  27  -6.747   0.262   4.156
  211   3HG1  VAL  27          2HG1      VAL  27  -7.593   1.639   3.475
  212   1HG2  VAL  27          1HG2      VAL  27  -5.344  -0.918   1.874
  213   2HG2  VAL  27          3HG2      VAL  27  -3.933   0.119   1.820
  214   3HG2  VAL  27          2HG2      VAL  27  -4.557  -0.421   3.363
   
  No H/Q in entry =         214
  Start of MODEL    5
    1   1H    CYS   1          2H        CYS   1   0.285  11.730  -5.152
    2   2H    CYS   1          1H        CYS   1  -1.150  12.637  -5.179
    3   3H    CYS   1          3H        CYS   1   0.069  13.010  -4.058
    4    HA   CYS   1           HA       CYS   1  -0.240  10.869  -2.978
    5   1HB   CYS   1          2HB       CYS   1  -1.874  11.826  -1.687
    6   2HB   CYS   1          1HB       CYS   1  -1.771  13.152  -2.787
    7    H    ARG   2           H        ARG   2  -0.502   8.839  -3.623
    8    HA   ARG   2           HA       ARG   2  -1.885   8.110  -6.061
    9   1HB   ARG   2          2HB       ARG   2   0.232   7.037  -4.884
   10   2HB   ARG   2          1HB       ARG   2  -0.941   6.090  -4.007
   11   1HG   ARG   2          2HG       ARG   2  -0.825   4.657  -5.713
   12   2HG   ARG   2          1HG       ARG   2  -1.904   5.753  -6.547
   13   1HD   ARG   2          2HD       ARG   2  -0.071   5.389  -8.066
   14   2HD   ARG   2          1HD       ARG   2   0.268   6.963  -7.357
   15    HE   ARG   2           HE       ARG   2   1.971   5.928  -5.967
   16   1HH1  ARG   2          2HH1      ARG   2   0.684   3.211  -5.794
   17   2HH1  ARG   2          1HH1      ARG   2   1.757   2.251  -6.759
   18   1HH2  ARG   2          1HH2      ARG   2   3.244   5.039  -8.258
   19   2HH2  ARG   2          2HH2      ARG   2   3.239   3.309  -8.182
   20    H    ILE   3           H        ILE   3  -3.750   6.909  -6.333
   21    HA   ILE   3           HA       ILE   3  -5.805   7.287  -4.365
   22    HB   ILE   3           HB       ILE   3  -7.147   5.932  -6.086
   23   1HG1  ILE   3          2HG1      ILE   3  -4.779   6.261  -7.945
   24   2HG1  ILE   3          1HG1      ILE   3  -4.830   4.853  -6.909
   25   1HG2  ILE   3          1HG2      ILE   3  -5.581   8.384  -6.994
   26   2HG2  ILE   3          3HG2      ILE   3  -7.043   7.795  -7.767
   27   3HG2  ILE   3          2HG2      ILE   3  -7.101   8.391  -6.116
   28   1HD1  ILE   3          2HD1      ILE   3  -7.070   4.275  -7.781
   29   2HD1  ILE   3          1HD1      ILE   3  -7.005   5.675  -8.849
   30   3HD1  ILE   3          3HD1      ILE   3  -5.869   4.349  -9.060
   31    HA   HYP   4           HA       HYP   4  -5.992   3.333  -2.187
   32   1HB   HYP   4          1HB       HYP   4  -8.138   3.038  -1.467
   33   2HB   HYP   4          2HB       HYP   4  -8.795   3.056  -3.093
   34   1HD   HYP   4          1HD1      HYP   4  -7.065   6.679  -2.628
   35   2HD   HYP   4          2HD1      HYP   4  -7.993   6.211  -4.062
   36    HOD  HYP   4           HD2      HYP   4  -8.240   6.339  -0.865
   37    HG   HYP   4           HG       HYP   4  -9.520   5.249  -2.495
   38    H    ASN   5           H        ASN   5  -6.237   1.150  -2.552
   39    HA   ASN   5           HA       ASN   5  -5.911  -0.841  -3.620
   40   1HB   ASN   5          2HB       ASN   5  -7.618  -1.424  -5.018
   41   2HB   ASN   5          1HB       ASN   5  -8.255   0.136  -4.577
   42   1HD2  ASN   5          2HD2      ASN   5  -8.448  -0.346  -8.283
   43   2HD2  ASN   5          1HD2      ASN   5  -8.967  -1.253  -6.944
   44    H    GLN   6           H        GLN   6  -4.451   1.859  -4.874
   45    HA   GLN   6           HA       GLN   6  -3.330   0.724  -7.292
   46   1HB   GLN   6          2HB       GLN   6  -3.583   3.235  -6.527
   47   2HB   GLN   6          1HB       GLN   6  -2.043   2.977  -5.746
   48   1HG   GLN   6          2HG       GLN   6  -1.045   3.398  -7.771
   49   2HG   GLN   6          1HG       GLN   6  -1.687   1.873  -8.346
   50   1HE2  GLN   6          2HE2      GLN   6  -3.306   5.358  -9.636
   51   2HE2  GLN   6          1HE2      GLN   6  -2.036   5.336  -8.507
   52    H    LYS   7           H        LYS   7  -1.692  -0.599  -7.483
   53    HA   LYS   7           HA       LYS   7  -0.457  -2.044  -5.484
   54   1HB   LYS   7          2HB       LYS   7   0.432  -1.357  -8.292
   55   2HB   LYS   7          1HB       LYS   7   1.418  -2.389  -7.278
   56   1HG   LYS   7          2HG       LYS   7  -1.539  -2.978  -7.607
   57   2HG   LYS   7          1HG       LYS   7  -0.403  -3.484  -8.832
   58   1HD   LYS   7          2HD       LYS   7   0.299  -4.139  -5.966
   59   2HD   LYS   7          1HD       LYS   7  -1.006  -5.048  -6.695
   60   1HE   LYS   7          2HE       LYS   7   1.689  -4.733  -8.066
   61   2HE   LYS   7          1HE       LYS   7   1.340  -6.051  -6.959
   62   1HZ   LYS   7          1HZ       LYS   7  -0.393  -5.446  -9.269
   63   2HZ   LYS   7          3HZ       LYS   7   0.949  -6.481  -9.384
   64   3HZ   LYS   7          2HZ       LYS   7  -0.334  -6.863  -8.336
   65    H    CYS   8           H        CYS   8   0.449  -1.157  -3.776
   66    HA   CYS   8           HA       CYS   8   2.954   0.409  -4.107
   67   1HB   CYS   8          2HB       CYS   8   2.269   1.949  -2.359
   68   2HB   CYS   8          1HB       CYS   8   1.158   1.987  -3.702
   69    H    PHE   9           H        PHE   9   4.369   0.271  -2.362
   70    HA   PHE   9           HA       PHE   9   4.187  -2.275  -0.879
   71   1HB   PHE   9          2HB       PHE   9   6.504  -0.307  -0.898
   72   2HB   PHE   9          1HB       PHE   9   6.551  -2.009  -0.482
   73    HD1  PHE   9           HD1      PHE   9   6.421  -3.736  -2.237
   74    HD2  PHE   9           HD2      PHE   9   6.344   0.401  -3.268
   75    HE1  PHE   9           HE1      PHE   9   6.858  -4.303  -4.583
   76    HE2  PHE   9           HE2      PHE   9   6.782  -0.171  -5.603
   77    HZ   PHE   9           HZ       PHE   9   7.039  -2.523  -6.271
   78    H    GLN  10           H        GLN  10   4.366  -2.487   1.302
   79    HA   GLN  10           HA       GLN  10   2.982  -0.727   2.951
   80   1HB   GLN  10          2HB       GLN  10   4.900  -3.009   3.506
   81   2HB   GLN  10          1HB       GLN  10   4.207  -2.107   4.834
   82   1HG   GLN  10          2HG       GLN  10   2.678  -3.897   4.549
   83   2HG   GLN  10          1HG       GLN  10   1.891  -2.571   3.710
   84   1HE2  GLN  10          2HE2      GLN  10   2.204  -4.060   0.508
   85   2HE2  GLN  10          1HE2      GLN  10   1.810  -2.648   1.367
   86    H    HIS  11           H        HIS  11   6.357  -0.948   2.232
   87    HA   HIS  11           HA       HIS  11   7.186   1.019   4.256
   88   1HB   HIS  11          2HB       HIS  11   8.736  -0.314   1.975
   89   2HB   HIS  11          1HB       HIS  11   9.456   0.685   3.230
   90    HD1  HIS  11           HD1      HIS  11  10.271  -0.692   5.141
   91    HD2  HIS  11           HD2      HIS  11   7.218  -2.645   3.258
   92    HE1  HIS  11           HE1      HIS  11  10.020  -2.860   6.289
   93    H    LEU  12           H        LEU  12   6.971   0.767   0.758
   94    HA   LEU  12           HA       LEU  12   7.337   3.704   0.428
   95   1HB   LEU  12          2HB       LEU  12   7.054   1.556  -1.714
   96   2HB   LEU  12          1HB       LEU  12   7.581   3.201  -1.965
   97    HG   LEU  12           HG       LEU  12   9.114   1.197  -0.231
   98   1HD1  LEU  12          2HD1      LEU  12   9.422   1.966  -3.161
   99   2HD1  LEU  12          1HD1      LEU  12  10.718   1.226  -2.237
  100   3HD1  LEU  12          3HD1      LEU  12   9.218   0.356  -2.492
  101   1HD2  LEU  12          3HD2      LEU  12   9.791   3.962  -1.334
  102   2HD2  LEU  12          2HD2      LEU  12   9.616   3.527   0.359
  103   3HD2  LEU  12          1HD2      LEU  12  10.962   2.899  -0.570
  104    H    ASP  13           H        ASP  13   5.210   3.566   1.696
  105    HA   ASP  13           HA       ASP  13   2.809   3.056   0.108
  106   1HB   ASP  13          2HB       ASP  13   1.740   4.360   2.138
  107   2HB   ASP  13          1HB       ASP  13   2.357   2.749   2.416
  108    H    ASP  14           H        ASP  14   2.785   4.275  -1.604
  109    HA   ASP  14           HA       ASP  14   3.334   7.162  -1.590
  110   1HB   ASP  14          2HB       ASP  14   2.729   6.794  -4.097
  111   2HB   ASP  14          1HB       ASP  14   4.203   6.050  -3.508
  112    H    CYS  15           H        CYS  15   0.749   5.276  -0.857
  113    HA   CYS  15           HA       CYS  15  -1.453   6.447  -2.171
  114   1HB   CYS  15          2HB       CYS  15  -1.522   5.424   0.635
  115   2HB   CYS  15          1HB       CYS  15  -2.755   5.301  -0.599
  116    H    CYS  16           H        CYS  16  -3.045   7.755  -1.429
  117    HA   CYS  16           HA       CYS  16  -2.176  10.294  -0.409
  118   1HB   CYS  16          2HB       CYS  16  -4.255   9.457  -1.947
  119   2HB   CYS  16          1HB       CYS  16  -5.083   9.488  -0.418
  120    H    SER  17           H        SER  17  -3.747   7.477   0.835
  121    HA   SER  17           HA       SER  17  -4.169   8.521   3.530
  122   1HB   SER  17          2HB       SER  17  -5.176   6.277   3.870
  123   2HB   SER  17          1HB       SER  17  -5.767   6.924   2.343
  124    HG   SER  17           HG       SER  17  -3.597   5.144   2.750
  125    H    ARG  18           H        ARG  18  -1.691   7.204   1.735
  126    HA   ARG  18           HA       ARG  18   0.414   6.388   2.157
  127   1HB   ARG  18          2HB       ARG  18  -0.226   8.286   4.282
  128   2HB   ARG  18          1HB       ARG  18   0.721   7.009   4.994
  129   1HG   ARG  18          2HG       ARG  18   2.524   8.175   4.222
  130   2HG   ARG  18          1HG       ARG  18   2.157   7.476   2.664
  131   1HD   ARG  18          2HD       ARG  18   2.319   9.844   2.291
  132   2HD   ARG  18          1HD       ARG  18   0.598   9.481   2.252
  133    HE   ARG  18           HE       ARG  18   0.351  10.519   4.406
  134   1HH1  ARG  18          1HH2      ARG  18   2.706   9.796   5.866
  135   2HH1  ARG  18          2HH2      ARG  18   3.689  11.224   5.847
  136   1HH2  ARG  18          2HH1      ARG  18   1.924  12.639   3.172
  137   2HH2  ARG  18          1HH1      ARG  18   3.234  12.877   4.281
  138    H    LYS  19           H        LYS  19  -2.004   4.778   2.721
  139    HA   LYS  19           HA       LYS  19  -0.799   2.692   4.466
  140   1HB   LYS  19          2HB       LYS  19  -3.604   3.758   4.191
  141   2HB   LYS  19          1HB       LYS  19  -3.358   2.098   4.665
  142   1HG   LYS  19          2HG       LYS  19  -1.991   2.806   6.597
  143   2HG   LYS  19          1HG       LYS  19  -2.061   4.477   6.077
  144   1HD   LYS  19          2HD       LYS  19  -4.627   2.943   6.625
  145   2HD   LYS  19          1HD       LYS  19  -3.717   3.637   7.952
  146   1HE   LYS  19          2HE       LYS  19  -3.858   5.888   6.886
  147   2HE   LYS  19          1HE       LYS  19  -4.761   5.186   5.551
  148   1HZ   LYS  19          1HZ       LYS  19  -5.845   4.570   8.136
  149   2HZ   LYS  19          3HZ       LYS  19  -5.845   6.227   7.766
  150   3HZ   LYS  19          2HZ       LYS  19  -6.615   5.126   6.728
  151    H    CYS  20           H        CYS  20  -0.301   0.899   3.425
  152    HA   CYS  20           HA       CYS  20  -1.710   0.175   0.922
  153   1HB   CYS  20          2HB       CYS  20   1.172  -0.172   1.812
  154   2HB   CYS  20          1HB       CYS  20   0.508  -0.904   0.388
  155    H    ASN  21           H        ASN  21  -2.967  -1.516   1.319
  156    HA   ASN  21           HA       ASN  21  -2.875  -3.108   3.697
  157   1HB   ASN  21          2HB       ASN  21  -4.614  -4.531   2.375
  158   2HB   ASN  21          1HB       ASN  21  -5.015  -2.856   2.676
  159   1HD2  ASN  21          2HD2      ASN  21  -3.629  -3.537  -1.121
  160   2HD2  ASN  21          1HD2      ASN  21  -2.745  -4.096   0.211
  161    H    ARG  22           H        ARG  22  -3.133  -5.573   3.423
  162    HA   ARG  22           HA       ARG  22  -0.625  -6.692   3.026
  163   1HB   ARG  22          2HB       ARG  22  -1.817  -8.854   3.355
  164   2HB   ARG  22          1HB       ARG  22  -2.284  -7.644   4.529
  165   1HG   ARG  22          2HG       ARG  22  -4.409  -7.281   3.518
  166   2HG   ARG  22          1HG       ARG  22  -3.911  -7.968   1.985
  167   1HD   ARG  22          2HD       ARG  22  -5.371  -9.561   3.135
  168   2HD   ARG  22          1HD       ARG  22  -3.739 -10.223   3.075
  169    HE   ARG  22           HE       ARG  22  -4.283  -8.687   5.505
  170   1HH1  ARG  22          1HH2      ARG  22  -2.428 -10.769   5.831
  171   2HH1  ARG  22          2HH2      ARG  22  -3.336 -12.122   6.423
  172   1HH2  ARG  22          2HH1      ARG  22  -6.399 -10.770   5.385
  173   2HH2  ARG  22          1HH1      ARG  22  -5.646 -12.123   6.164
  174    H    PHE  23           H        PHE  23  -3.008  -6.009   0.671
  175    HA   PHE  23           HA       PHE  23  -2.105  -8.045  -1.244
  176   1HB   PHE  23          2HB       PHE  23  -4.121  -5.763  -1.468
  177   2HB   PHE  23          1HB       PHE  23  -3.878  -7.030  -2.648
  178    HD1  PHE  23           HD2      PHE  23  -4.157  -9.497  -1.807
  179    HD2  PHE  23           HD1      PHE  23  -5.662  -6.110   0.303
  180    HE1  PHE  23           HE2      PHE  23  -5.711 -10.946  -0.584
  181    HE2  PHE  23           HE1      PHE  23  -7.214  -7.566   1.522
  182    HZ   PHE  23           HZ       PHE  23  -7.242  -9.986   1.083
  183    H    ASN  24           H        ASN  24  -0.617  -5.594  -0.104
  184    HA   ASN  24           HA       ASN  24   0.880  -3.971  -0.775
  185   1HB   ASN  24          2HB       ASN  24   1.163  -6.027  -3.033
  186   2HB   ASN  24          1HB       ASN  24   2.315  -4.729  -2.738
  187   1HD2  ASN  24          2HD2      ASN  24   2.166  -7.930  -0.200
  188   2HD2  ASN  24          1HD2      ASN  24   0.936  -7.690  -1.344
  189    H    LYS  25           H        LYS  25  -1.706  -3.447  -1.350
  190    HA   LYS  25           HA       LYS  25  -1.548  -1.685  -3.740
  191   1HB   LYS  25          2HB       LYS  25  -3.644  -3.682  -2.867
  192   2HB   LYS  25          1HB       LYS  25  -4.196  -2.180  -3.560
  193   1HG   LYS  25          2HG       LYS  25  -2.725  -2.634  -5.564
  194   2HG   LYS  25          1HG       LYS  25  -2.236  -4.148  -4.824
  195   1HD   LYS  25          2HD       LYS  25  -4.426  -5.088  -4.998
  196   2HD   LYS  25          1HD       LYS  25  -5.173  -3.528  -5.299
  197   1HE   LYS  25          2HE       LYS  25  -4.002  -3.377  -7.488
  198   2HE   LYS  25          1HE       LYS  25  -3.255  -4.942  -7.197
  199   1HZ   LYS  25          1HZ       LYS  25  -6.176  -4.493  -7.258
  200   2HZ   LYS  25          3HZ       LYS  25  -5.262  -5.017  -8.591
  201   3HZ   LYS  25          2HZ       LYS  25  -5.366  -5.984  -7.198
  202    H    CYS  26           H        CYS  26  -3.005   0.256  -3.397
  203    HA   CYS  26           HA       CYS  26  -2.557   1.276  -0.739
  204   1HB   CYS  26          2HB       CYS  26  -3.950   2.318  -3.176
  205   2HB   CYS  26          1HB       CYS  26  -3.964   3.203  -1.682
  206    H    VAL  27           H        VAL  27  -4.295   2.486   0.333
  207    HA   VAL  27           HA       VAL  27  -6.833   0.929   0.543
  208    HB   VAL  27           HB       VAL  27  -5.203   2.054   2.866
  209   1HG1  VAL  27          1HG1      VAL  27  -7.657   0.244   2.703
  210   2HG1  VAL  27          3HG1      VAL  27  -6.727   0.457   4.177
  211   3HG1  VAL  27          2HG1      VAL  27  -7.563   1.824   3.466
  212   1HG2  VAL  27          2HG2      VAL  27  -5.390  -0.807   1.817
  213   2HG2  VAL  27          1HG2      VAL  27  -3.945   0.180   1.833
  214   3HG2  VAL  27          3HG2      VAL  27  -4.637  -0.372   3.342
   
  No H/Q in entry =         214
  Start of MODEL    6
    1   1H    CYS   1          2H        CYS   1  -1.040  12.716  -4.974
    2   2H    CYS   1          1H        CYS   1   0.100  13.093  -3.772
    3   3H    CYS   1          3H        CYS   1   0.409  11.837  -4.874
    4    HA   CYS   1           HA       CYS   1  -0.220  10.883  -2.790
    5   1HB   CYS   1          2HB       CYS   1  -1.890  11.802  -1.511
    6   2HB   CYS   1          1HB       CYS   1  -1.753  13.168  -2.556
    7    H    ARG   2           H        ARG   2  -0.426   8.889  -3.614
    8    HA   ARG   2           HA       ARG   2  -1.824   8.360  -6.097
    9   1HB   ARG   2          2HB       ARG   2   0.301   7.174  -5.119
   10   2HB   ARG   2          1HB       ARG   2  -0.825   6.194  -4.205
   11   1HG   ARG   2          2HG       ARG   2  -1.758   5.191  -6.111
   12   2HG   ARG   2          1HG       ARG   2  -1.310   6.509  -7.170
   13   1HD   ARG   2          2HD       ARG   2   0.322   5.039  -7.844
   14   2HD   ARG   2          1HD       ARG   2   1.198   5.670  -6.458
   15    HE   ARG   2           HE       ARG   2  -0.335   3.585  -5.426
   16   1HH1  ARG   2          2HH1      ARG   2   0.180   2.640  -8.317
   17   2HH1  ARG   2          1HH1      ARG   2   1.575   1.642  -8.080
   18   1HH2  ARG   2          1HH2      ARG   2   2.229   2.940  -4.903
   19   2HH2  ARG   2          2HH2      ARG   2   2.765   1.825  -6.111
   20    H    ILE   3           H        ILE   3  -3.619   7.058  -6.456
   21    HA   ILE   3           HA       ILE   3  -5.740   7.340  -4.580
   22    HB   ILE   3           HB       ILE   3  -7.044   6.112  -6.287
   23   1HG1  ILE   3          2HG1      ILE   3  -4.332   5.537  -7.574
   24   2HG1  ILE   3          1HG1      ILE   3  -5.409   4.355  -6.866
   25   1HG2  ILE   3          2HG2      ILE   3  -6.237   8.571  -6.583
   26   2HG2  ILE   3          1HG2      ILE   3  -5.111   7.929  -7.765
   27   3HG2  ILE   3          3HG2      ILE   3  -6.840   7.756  -8.012
   28   1HD1  ILE   3          1HD1      ILE   3  -7.158   5.408  -8.621
   29   2HD1  ILE   3          3HD1      ILE   3  -5.664   5.765  -9.477
   30   3HD1  ILE   3          2HD1      ILE   3  -6.064   4.109  -9.053
   31    HA   HYP   4           HA       HYP   4  -5.752   3.413  -2.320
   32   1HB   HYP   4          1HB       HYP   4  -7.838   3.213  -1.430
   33   2HB   HYP   4          2HB       HYP   4  -8.594   3.076  -3.003
   34   1HD   HYP   4          1HD1      HYP   4  -6.910   6.775  -2.799
   35   2HD   HYP   4          2HD1      HYP   4  -7.848   6.243  -4.202
   36    HOD  HYP   4           HD2      HYP   4  -7.748   6.488  -1.100
   37    HG   HYP   4           HG       HYP   4  -9.346   5.286  -2.628
   38    H    ASN   5           H        ASN   5  -6.425   1.155  -2.668
   39    HA   ASN   5           HA       ASN   5  -6.070  -0.801  -3.834
   40   1HB   ASN   5          2HB       ASN   5  -7.795  -1.234  -5.501
   41   2HB   ASN   5          1HB       ASN   5  -8.483  -0.175  -4.290
   42   1HD2  ASN   5          2HD2      ASN   5  -9.155   2.422  -6.569
   43   2HD2  ASN   5          1HD2      ASN   5  -9.241   1.877  -4.963
   44    H    GLN   6           H        GLN   6  -4.184   1.366  -4.569
   45    HA   GLN   6           HA       GLN   6  -3.431   0.555  -7.327
   46   1HB   GLN   6          2HB       GLN   6  -3.703   3.065  -6.411
   47   2HB   GLN   6          1HB       GLN   6  -2.091   2.792  -5.791
   48   1HG   GLN   6          2HG       GLN   6  -1.565   3.563  -7.914
   49   2HG   GLN   6          1HG       GLN   6  -1.681   1.844  -8.269
   50   1HE2  GLN   6          2HE2      GLN   6  -4.019   4.295 -10.288
   51   2HE2  GLN   6          1HE2      GLN   6  -2.557   4.716  -9.534
   52    H    LYS   7           H        LYS   7  -1.823  -0.843  -7.512
   53    HA   LYS   7           HA       LYS   7  -0.592  -2.194  -5.445
   54   1HB   LYS   7          2HB       LYS   7  -0.660  -2.767  -7.956
   55   2HB   LYS   7          1HB       LYS   7   0.730  -1.729  -8.147
   56   1HG   LYS   7          2HG       LYS   7   1.612  -3.945  -7.893
   57   2HG   LYS   7          1HG       LYS   7   1.925  -3.137  -6.376
   58   1HD   LYS   7          2HD       LYS   7   1.056  -5.159  -5.595
   59   2HD   LYS   7          1HD       LYS   7  -0.416  -4.221  -5.646
   60   1HE   LYS   7          2HE       LYS   7  -0.780  -5.145  -8.020
   61   2HE   LYS   7          1HE       LYS   7   0.525  -6.271  -7.663
   62   1HZ   LYS   7          2HZ       LYS   7  -0.958  -6.541  -5.484
   63   2HZ   LYS   7          1HZ       LYS   7  -2.170  -6.163  -6.610
   64   3HZ   LYS   7          3HZ       LYS   7  -1.151  -7.494  -6.877
   65    H    CYS   8           H        CYS   8   0.323  -1.125  -3.831
   66    HA   CYS   8           HA       CYS   8   2.805   0.459  -4.347
   67   1HB   CYS   8          2HB       CYS   8   2.212   1.874  -2.440
   68   2HB   CYS   8          1HB       CYS   8   0.994   1.955  -3.679
   69    H    PHE   9           H        PHE   9   4.473   0.136  -2.938
   70    HA   PHE   9           HA       PHE   9   4.338  -2.377  -1.406
   71   1HB   PHE   9          2HB       PHE   9   6.385  -1.033  -2.902
   72   2HB   PHE   9          1HB       PHE   9   6.949  -1.093  -1.240
   73    HD1  PHE   9           HD2      PHE   9   7.123  -3.292  -0.058
   74    HD2  PHE   9           HD1      PHE   9   6.114  -3.056  -4.196
   75    HE1  PHE   9           HE2      PHE   9   7.637  -5.680  -0.325
   76    HE2  PHE   9           HE1      PHE   9   6.628  -5.440  -4.456
   77    HZ   PHE   9           HZ       PHE   9   7.390  -6.757  -2.522
   78    H    GLN  10           H        GLN  10   4.956  -2.623   0.667
   79    HA   GLN  10           HA       GLN  10   3.957  -0.808   2.536
   80   1HB   GLN  10          2HB       GLN  10   5.959  -3.041   3.028
   81   2HB   GLN  10          1HB       GLN  10   4.907  -2.335   4.237
   82   1HG   GLN  10          2HG       GLN  10   3.876  -3.786   1.743
   83   2HG   GLN  10          1HG       GLN  10   4.110  -4.555   3.299
   84   1HE2  GLN  10          2HE2      GLN  10   0.575  -3.657   3.241
   85   2HE2  GLN  10          1HE2      GLN  10   1.617  -4.758   2.478
   86    H    HIS  11           H        HIS  11   7.143  -1.347   1.311
   87    HA   HIS  11           HA       HIS  11   8.566   0.296   3.227
   88   1HB   HIS  11          2HB       HIS  11   9.604  -0.410   0.463
   89   2HB   HIS  11          1HB       HIS  11  10.511  -0.215   1.954
   90    HD1  HIS  11           HD1      HIS  11   9.817  -2.827  -0.055
   91    HD2  HIS  11           HD2      HIS  11   9.037  -2.343   3.922
   92    HE1  HIS  11           HE1      HIS  11   9.546  -5.092   0.880
   93    H    LEU  12           H        LEU  12   6.705   1.011   0.464
   94    HA   LEU  12           HA       LEU  12   7.478   3.867   0.646
   95   1HB   LEU  12          2HB       LEU  12   7.612   3.984  -1.891
   96   2HB   LEU  12          1HB       LEU  12   8.930   3.137  -1.129
   97    HG   LEU  12           HG       LEU  12   6.759   1.242  -1.745
   98   1HD1  LEU  12          1HD1      LEU  12   6.303   2.937  -3.574
   99   2HD1  LEU  12          3HD1      LEU  12   7.942   2.690  -4.149
  100   3HD1  LEU  12          2HD1      LEU  12   6.792   1.362  -4.175
  101   1HD2  LEU  12          2HD2      LEU  12   9.174   0.682  -1.315
  102   2HD2  LEU  12          1HD2      LEU  12   8.595   0.021  -2.834
  103   3HD2  LEU  12          3HD2      LEU  12   9.602   1.459  -2.827
  104    H    ASP  13           H        ASP  13   5.460   3.870   1.693
  105    HA   ASP  13           HA       ASP  13   3.000   3.326   0.205
  106   1HB   ASP  13          2HB       ASP  13   3.672   4.444   2.950
  107   2HB   ASP  13          1HB       ASP  13   2.039   4.581   2.321
  108    H    ASP  14           H        ASP  14   3.022   4.549  -1.532
  109    HA   ASP  14           HA       ASP  14   3.433   7.460  -1.470
  110   1HB   ASP  14          2HB       ASP  14   2.897   7.075  -4.010
  111   2HB   ASP  14          1HB       ASP  14   4.403   6.427  -3.386
  112    H    CYS  15           H        CYS  15   0.937   5.377  -0.888
  113    HA   CYS  15           HA       CYS  15  -1.303   6.448  -2.193
  114   1HB   CYS  15          2HB       CYS  15  -1.331   5.367   0.603
  115   2HB   CYS  15          1HB       CYS  15  -2.568   5.218  -0.616
  116    H    CYS  16           H        CYS  16  -2.970   7.692  -1.480
  117    HA   CYS  16           HA       CYS  16  -2.233  10.219  -0.322
  118   1HB   CYS  16          2HB       CYS  16  -4.239   9.395  -1.977
  119   2HB   CYS  16          1HB       CYS  16  -5.110   9.346  -0.473
  120    H    SER  17           H        SER  17  -3.787   7.306   0.771
  121    HA   SER  17           HA       SER  17  -4.415   8.260   3.445
  122   1HB   SER  17          2HB       SER  17  -5.205   5.936   3.745
  123   2HB   SER  17          1HB       SER  17  -5.732   6.467   2.147
  124    HG   SER  17           HG       SER  17  -3.831   5.533   1.303
  125    H    ARG  18           H        ARG  18  -1.754   7.064   1.781
  126    HA   ARG  18           HA       ARG  18   0.421   6.508   2.336
  127   1HB   ARG  18          2HB       ARG  18  -0.187   7.396   5.198
  128   2HB   ARG  18          1HB       ARG  18   1.349   7.414   4.372
  129   1HG   ARG  18          2HG       ARG  18  -0.425   9.042   2.785
  130   2HG   ARG  18          1HG       ARG  18  -0.709   9.482   4.454
  131   1HD   ARG  18          2HD       ARG  18   1.081  10.882   3.577
  132   2HD   ARG  18          1HD       ARG  18   1.813   9.754   4.716
  133    HE   ARG  18           HE       ARG  18   1.950   8.466   2.239
  134   1HH1  ARG  18          1HH2      ARG  18   2.355  10.740   0.699
  135   2HH1  ARG  18          2HH2      ARG  18   3.999  11.224   0.959
  136   1HH2  ARG  18          2HH1      ARG  18   4.304   9.337   3.893
  137   2HH2  ARG  18          1HH1      ARG  18   5.130  10.410   2.813
  138    H    LYS  19           H        LYS  19  -1.956   4.763   2.806
  139    HA   LYS  19           HA       LYS  19  -0.686   2.704   4.538
  140   1HB   LYS  19          2HB       LYS  19  -3.485   3.767   4.392
  141   2HB   LYS  19          1HB       LYS  19  -3.286   2.063   4.703
  142   1HG   LYS  19          2HG       LYS  19  -2.237   2.404   6.768
  143   2HG   LYS  19          1HG       LYS  19  -1.593   3.974   6.315
  144   1HD   LYS  19          2HD       LYS  19  -3.840   4.985   6.472
  145   2HD   LYS  19          1HD       LYS  19  -4.546   3.419   6.837
  146   1HE   LYS  19          2HE       LYS  19  -2.850   3.369   8.845
  147   2HE   LYS  19          1HE       LYS  19  -2.700   5.098   8.557
  148   1HZ   LYS  19          3HZ       LYS  19  -5.097   5.295   8.789
  149   2HZ   LYS  19          2HZ       LYS  19  -5.212   3.632   9.109
  150   3HZ   LYS  19          1HZ       LYS  19  -4.380   4.648  10.187
  151    H    CYS  20           H        CYS  20  -0.193   0.922   3.505
  152    HA   CYS  20           HA       CYS  20  -1.589   0.203   0.991
  153   1HB   CYS  20          2HB       CYS  20   1.290  -0.113   1.917
  154   2HB   CYS  20          1HB       CYS  20   0.652  -0.954   0.542
  155    H    ASN  21           H        ASN  21  -2.846  -1.522   1.377
  156    HA   ASN  21           HA       ASN  21  -2.716  -3.064   3.798
  157   1HB   ASN  21          2HB       ASN  21  -4.562  -4.349   2.823
  158   2HB   ASN  21          1HB       ASN  21  -4.808  -2.643   2.512
  159   1HD2  ASN  21          2HD2      ASN  21  -5.511  -4.201  -0.686
  160   2HD2  ASN  21          1HD2      ASN  21  -6.239  -3.997   0.834
  161    H    ARG  22           H        ARG  22  -3.003  -5.557   3.476
  162    HA   ARG  22           HA       ARG  22  -0.465  -6.640   3.064
  163   1HB   ARG  22          2HB       ARG  22  -1.558  -8.784   3.532
  164   2HB   ARG  22          1HB       ARG  22  -2.113  -7.545   4.623
  165   1HG   ARG  22          2HG       ARG  22  -4.266  -7.743   3.959
  166   2HG   ARG  22          1HG       ARG  22  -3.853  -7.567   2.275
  167   1HD   ARG  22          2HD       ARG  22  -4.379  -9.766   1.981
  168   2HD   ARG  22          1HD       ARG  22  -2.975 -10.198   2.934
  169    HE   ARG  22           HE       ARG  22  -4.373 -10.608   4.789
  170   1HH1  ARG  22          1HH2      ARG  22  -6.037  -8.355   5.123
  171   2HH1  ARG  22          2HH2      ARG  22  -7.600  -8.849   4.563
  172   1HH2  ARG  22          2HH1      ARG  22  -6.329 -11.583   2.784
  173   2HH2  ARG  22          1HH1      ARG  22  -7.768 -10.719   3.209
  174    H    PHE  23           H        PHE  23  -2.909  -6.020   0.781
  175    HA   PHE  23           HA       PHE  23  -2.037  -8.066  -1.147
  176   1HB   PHE  23          2HB       PHE  23  -4.115  -5.836  -1.214
  177   2HB   PHE  23          1HB       PHE  23  -3.832  -6.925  -2.546
  178    HD1  PHE  23           HD2      PHE  23  -4.070  -9.482  -2.062
  179    HD2  PHE  23           HD1      PHE  23  -5.614  -6.462   0.521
  180    HE1  PHE  23           HE2      PHE  23  -5.600 -11.113  -1.058
  181    HE2  PHE  23           HE1      PHE  23  -7.142  -8.097   1.519
  182    HZ   PHE  23           HZ       PHE  23  -7.140 -10.427   0.729
  183    H    ASN  24           H        ASN  24  -0.545  -5.576  -0.048
  184    HA   ASN  24           HA       ASN  24   0.915  -3.925  -0.764
  185   1HB   ASN  24          2HB       ASN  24   1.174  -6.051  -2.959
  186   2HB   ASN  24          1HB       ASN  24   2.217  -4.636  -2.899
  187   1HD2  ASN  24          2HD2      ASN  24   4.025  -5.708  -0.029
  188   2HD2  ASN  24          1HD2      ASN  24   3.600  -4.358  -0.963
  189    H    LYS  25           H        LYS  25  -1.713  -3.529  -1.275
  190    HA   LYS  25           HA       LYS  25  -1.785  -1.860  -3.739
  191   1HB   LYS  25          2HB       LYS  25  -3.810  -3.668  -2.395
  192   2HB   LYS  25          1HB       LYS  25  -4.375  -2.282  -3.282
  193   1HG   LYS  25          2HG       LYS  25  -2.356  -4.060  -4.651
  194   2HG   LYS  25          1HG       LYS  25  -3.962  -4.722  -4.420
  195   1HD   LYS  25          2HD       LYS  25  -5.002  -2.949  -5.652
  196   2HD   LYS  25          1HD       LYS  25  -3.537  -1.979  -5.629
  197   1HE   LYS  25          2HE       LYS  25  -3.769  -2.980  -7.841
  198   2HE   LYS  25          1HE       LYS  25  -2.400  -3.728  -7.036
  199   1HZ   LYS  25          2HZ       LYS  25  -4.722  -5.165  -6.401
  200   2HZ   LYS  25          1HZ       LYS  25  -4.654  -4.958  -8.085
  201   3HZ   LYS  25          3HZ       LYS  25  -3.354  -5.678  -7.266
  202    H    CYS  26           H        CYS  26  -3.105   0.167  -3.368
  203    HA   CYS  26           HA       CYS  26  -2.461   1.241  -0.740
  204   1HB   CYS  26          2HB       CYS  26  -3.772   2.348  -3.206
  205   2HB   CYS  26          1HB       CYS  26  -3.755   3.243  -1.730
  206    H    VAL  27           H        VAL  27  -4.106   2.577   0.308
  207    HA   VAL  27           HA       VAL  27  -6.758   1.209   0.520
  208    HB   VAL  27           HB       VAL  27  -5.059   2.291   2.827
  209   1HG1  VAL  27          2HG1      VAL  27  -7.720   0.799   2.704
  210   2HG1  VAL  27          1HG1      VAL  27  -6.763   0.869   4.173
  211   3HG1  VAL  27          3HG1      VAL  27  -7.398   2.345   3.477
  212   1HG2  VAL  27          3HG2      VAL  27  -5.583  -0.593   1.958
  213   2HG2  VAL  27          2HG2      VAL  27  -4.037   0.229   1.835
  214   3HG2  VAL  27          1HG2      VAL  27  -4.714  -0.124   3.412
   
  No H/Q in entry =         214
  Start of MODEL    7
    1   1H    CYS   1          2H        CYS   1   0.261  11.523  -5.475
    2   2H    CYS   1          1H        CYS   1  -1.064  12.581  -5.382
    3   3H    CYS   1          3H        CYS   1   0.287  12.822  -4.380
    4    HA   CYS   1           HA       CYS   1  -0.146  10.775  -3.219
    5   1HB   CYS   1          2HB       CYS   1  -1.659  11.859  -1.867
    6   2HB   CYS   1          1HB       CYS   1  -1.510  13.155  -2.999
    7    H    ARG   2           H        ARG   2  -0.427   8.781  -3.952
    8    HA   ARG   2           HA       ARG   2  -2.016   8.043  -6.215
    9   1HB   ARG   2          2HB       ARG   2  -0.331   6.664  -4.185
   10   2HB   ARG   2          1HB       ARG   2  -1.569   5.651  -4.894
   11   1HG   ARG   2          2HG       ARG   2  -0.726   6.052  -7.129
   12   2HG   ARG   2          1HG       ARG   2   0.339   7.330  -6.569
   13   1HD   ARG   2          2HD       ARG   2   1.828   5.855  -5.540
   14   2HD   ARG   2          1HD       ARG   2   0.619   4.584  -5.341
   15    HE   ARG   2           HE       ARG   2   1.284   5.166  -8.130
   16   1HH1  ARG   2          1HH2      ARG   2   3.139   4.047  -5.604
   17   2HH1  ARG   2          2HH2      ARG   2   3.437   2.473  -6.262
   18   1HH2  ARG   2          2HH1      ARG   2   1.138   2.896  -8.864
   19   2HH2  ARG   2          1HH1      ARG   2   2.279   1.808  -8.148
   20    H    ILE   3           H        ILE   3  -3.815   6.605  -6.329
   21    HA   ILE   3           HA       ILE   3  -5.931   7.318  -4.512
   22    HB   ILE   3           HB       ILE   3  -7.252   5.798  -6.047
   23   1HG1  ILE   3          2HG1      ILE   3  -4.687   5.441  -7.638
   24   2HG1  ILE   3          1HG1      ILE   3  -5.120   4.268  -6.408
   25   1HG2  ILE   3          2HG2      ILE   3  -6.752   8.220  -6.614
   26   2HG2  ILE   3          1HG2      ILE   3  -5.359   7.676  -7.532
   27   3HG2  ILE   3          3HG2      ILE   3  -6.976   7.216  -8.037
   28   1HD1  ILE   3          1HD1      ILE   3  -7.302   3.913  -7.539
   29   2HD1  ILE   3          3HD1      ILE   3  -6.812   5.044  -8.799
   30   3HD1  ILE   3          2HD1      ILE   3  -5.933   3.538  -8.578
   31    HA   HYP   4           HA       HYP   4  -6.131   3.407  -2.078
   32   1HB   HYP   4          1HB       HYP   4  -8.311   3.090  -1.426
   33   2HB   HYP   4          2HB       HYP   4  -8.895   3.044  -3.081
   34   1HD   HYP   4          1HD1      HYP   4  -7.364   6.772  -2.731
   35   2HD   HYP   4          2HD1      HYP   4  -8.180   6.116  -4.159
   36    HOD  HYP   4           HD2      HYP   4  -7.450   5.236  -0.818
   37    HG   HYP   4           HG       HYP   4  -9.724   5.227  -2.533
   38    H    ASN   5           H        ASN   5  -6.139   1.248  -2.528
   39    HA   ASN   5           HA       ASN   5  -5.802  -0.716  -3.653
   40   1HB   ASN   5          2HB       ASN   5  -7.354  -1.263  -5.240
   41   2HB   ASN   5          1HB       ASN   5  -8.063   0.270  -4.819
   42   1HD2  ASN   5          2HD2      ASN   5  -7.793  -0.108  -8.547
   43   2HD2  ASN   5          1HD2      ASN   5  -8.421  -1.094  -7.318
   44    H    GLN   6           H        GLN   6  -4.460   2.146  -4.827
   45    HA   GLN   6           HA       GLN   6  -3.071   1.276  -7.137
   46   1HB   GLN   6          2HB       GLN   6  -2.968   3.564  -5.319
   47   2HB   GLN   6          1HB       GLN   6  -1.343   3.103  -5.751
   48   1HG   GLN   6          2HG       GLN   6  -3.472   3.373  -7.896
   49   2HG   GLN   6          1HG       GLN   6  -2.608   4.780  -7.291
   50   1HE2  GLN   6          2HE2      GLN   6  -0.101   4.168  -9.635
   51   2HE2  GLN   6          1HE2      GLN   6  -1.203   5.257  -8.952
   52    H    LYS   7           H        LYS   7  -1.520  -0.106  -7.447
   53    HA   LYS   7           HA       LYS   7  -0.442  -1.794  -5.479
   54   1HB   LYS   7          2HB       LYS   7   0.271  -1.115  -8.325
   55   2HB   LYS   7          1HB       LYS   7   1.422  -2.074  -7.420
   56   1HG   LYS   7          2HG       LYS   7  -1.528  -2.824  -7.509
   57   2HG   LYS   7          1HG       LYS   7  -0.415  -3.340  -8.759
   58   1HD   LYS   7          2HD       LYS   7   1.040  -4.408  -7.019
   59   2HD   LYS   7          1HD       LYS   7  -0.101  -3.928  -5.779
   60   1HE   LYS   7          2HE       LYS   7  -1.891  -5.238  -7.018
   61   2HE   LYS   7          1HE       LYS   7  -0.618  -5.856  -8.063
   62   1HZ   LYS   7          2HZ       LYS   7   0.524  -6.584  -5.982
   63   2HZ   LYS   7          1HZ       LYS   7  -0.908  -6.220  -5.146
   64   3HZ   LYS   7          3HZ       LYS   7  -0.910  -7.409  -6.359
   65    H    CYS   8           H        CYS   8   0.595  -1.105  -3.804
   66    HA   CYS   8           HA       CYS   8   3.130   0.411  -4.110
   67   1HB   CYS   8          2HB       CYS   8   2.516   1.786  -2.144
   68   2HB   CYS   8          1HB       CYS   8   1.502   2.054  -3.535
   69    H    PHE   9           H        PHE   9   4.561   0.168  -2.336
   70    HA   PHE   9           HA       PHE   9   4.375  -2.514  -1.119
   71   1HB   PHE   9          2HB       PHE   9   6.662  -0.511  -0.987
   72   2HB   PHE   9          1HB       PHE   9   6.737  -2.213  -0.579
   73    HD1  PHE   9           HD1      PHE   9   6.294   0.181  -3.397
   74    HD2  PHE   9           HD2      PHE   9   6.929  -3.895  -2.313
   75    HE1  PHE   9           HE1      PHE   9   6.799  -0.360  -5.728
   76    HE2  PHE   9           HE2      PHE   9   7.433  -4.430  -4.653
   77    HZ   PHE   9           HZ       PHE   9   7.371  -2.666  -6.365
   78    H    GLN  10           H        GLN  10   4.613  -2.927   1.027
   79    HA   GLN  10           HA       GLN  10   3.150  -1.406   2.840
   80   1HB   GLN  10          2HB       GLN  10   5.304  -3.422   3.587
   81   2HB   GLN  10          1HB       GLN  10   3.886  -3.007   4.529
   82   1HG   GLN  10          2HG       GLN  10   3.879  -4.465   1.832
   83   2HG   GLN  10          1HG       GLN  10   3.533  -5.168   3.397
   84   1HE2  GLN  10          2HE2      GLN  10   0.199  -4.020   3.513
   85   2HE2  GLN  10          1HE2      GLN  10   1.463  -4.779   4.356
   86    H    HIS  11           H        HIS  11   6.317  -0.995   1.807
   87    HA   HIS  11           HA       HIS  11   7.124   0.688   4.134
   88   1HB   HIS  11          2HB       HIS  11   8.892  -0.231   1.821
   89   2HB   HIS  11          1HB       HIS  11   9.408   0.373   3.390
   90    HD1  HIS  11           HD1      HIS  11   9.473  -2.653   1.877
   91    HD2  HIS  11           HD2      HIS  11   7.811  -1.550   5.437
   92    HE1  HIS  11           HE1      HIS  11   9.259  -4.716   3.214
   93    H    LEU  12           H        LEU  12   6.940   0.592   0.630
   94    HA   LEU  12           HA       LEU  12   7.339   3.522   0.414
   95   1HB   LEU  12          2HB       LEU  12   6.902   1.410  -1.743
   96   2HB   LEU  12          1HB       LEU  12   7.342   3.073  -2.043
   97    HG   LEU  12           HG       LEU  12   9.102   1.312  -0.278
   98   1HD1  LEU  12          3HD1      LEU  12   9.152   1.539  -3.317
   99   2HD1  LEU  12          2HD1      LEU  12  10.452   0.848  -2.358
  100   3HD1  LEU  12          1HD1      LEU  12   8.874   0.083  -2.376
  101   1HD2  LEU  12          3HD2      LEU  12   9.663   3.763  -2.016
  102   2HD2  LEU  12          2HD2      LEU  12   9.538   3.762  -0.265
  103   3HD2  LEU  12          1HD2      LEU  12  10.855   2.913  -1.046
  104    H    ASP  13           H        ASP  13   5.291   3.426   1.799
  105    HA   ASP  13           HA       ASP  13   2.758   3.070   0.377
  106   1HB   ASP  13          2HB       ASP  13   3.159   4.465   3.067
  107   2HB   ASP  13          1HB       ASP  13   1.734   3.618   2.483
  108    H    ASP  14           H        ASP  14   3.119   4.386  -1.320
  109    HA   ASP  14           HA       ASP  14   3.473   7.291  -1.025
  110   1HB   ASP  14          2HB       ASP  14   3.233   6.982  -3.688
  111   2HB   ASP  14          1HB       ASP  14   4.716   6.566  -2.854
  112    H    CYS  15           H        CYS  15   0.913   5.385  -0.630
  113    HA   CYS  15           HA       CYS  15  -1.131   6.456  -2.293
  114   1HB   CYS  15          2HB       CYS  15  -1.540   5.437   0.505
  115   2HB   CYS  15          1HB       CYS  15  -2.615   5.325  -0.859
  116    H    CYS  16           H        CYS  16  -2.891   7.817  -1.637
  117    HA   CYS  16           HA       CYS  16  -2.024  10.325  -0.536
  118   1HB   CYS  16          2HB       CYS  16  -4.130   9.587  -2.092
  119   2HB   CYS  16          1HB       CYS  16  -4.947   9.601  -0.556
  120    H    SER  17           H        SER  17  -3.653   7.513   0.656
  121    HA   SER  17           HA       SER  17  -4.130   8.519   3.354
  122   1HB   SER  17          2HB       SER  17  -5.024   6.183   3.669
  123   2HB   SER  17          1HB       SER  17  -5.714   6.908   2.209
  124    HG   SER  17           HG       SER  17  -4.589   4.720   2.140
  125    H    ARG  18           H        ARG  18  -1.680   7.087   1.576
  126    HA   ARG  18           HA       ARG  18   0.431   6.258   2.001
  127   1HB   ARG  18          2HB       ARG  18   0.034   7.501   4.785
  128   2HB   ARG  18          1HB       ARG  18   1.565   7.082   4.058
  129   1HG   ARG  18          2HG       ARG  18  -0.317   9.083   2.737
  130   2HG   ARG  18          1HG       ARG  18   0.854   9.569   3.942
  131   1HD   ARG  18          2HD       ARG  18   2.718   8.893   2.588
  132   2HD   ARG  18          1HD       ARG  18   1.686   7.982   1.490
  133    HE   ARG  18           HE       ARG  18   1.177  10.886   1.661
  134   1HH1  ARG  18          2HH1      ARG  18   0.121  10.602  -0.633
  135   2HH1  ARG  18          1HH1      ARG  18   1.323  10.357  -1.858
  136   1HH2  ARG  18          1HH2      ARG  18   3.814   9.513   0.442
  137   2HH2  ARG  18          2HH2      ARG  18   3.453   9.728  -1.238
  138    H    LYS  19           H        LYS  19  -1.912   4.656   2.511
  139    HA   LYS  19           HA       LYS  19  -0.814   2.667   4.423
  140   1HB   LYS  19          2HB       LYS  19  -3.621   3.671   3.958
  141   2HB   LYS  19          1HB       LYS  19  -3.316   2.102   4.640
  142   1HG   LYS  19          2HG       LYS  19  -1.643   3.844   6.147
  143   2HG   LYS  19          1HG       LYS  19  -3.077   4.796   5.846
  144   1HD   LYS  19          2HD       LYS  19  -3.607   3.697   7.859
  145   2HD   LYS  19          1HD       LYS  19  -4.424   2.717   6.659
  146   1HE   LYS  19          2HE       LYS  19  -3.236   1.217   8.169
  147   2HE   LYS  19          1HE       LYS  19  -2.374   1.187   6.638
  148   1HZ   LYS  19          3HZ       LYS  19  -1.453   3.258   8.379
  149   2HZ   LYS  19          2HZ       LYS  19  -1.305   1.714   9.071
  150   3HZ   LYS  19          1HZ       LYS  19  -0.581   2.046   7.570
  151    H    CYS  20           H        CYS  20  -0.282   0.830   3.405
  152    HA   CYS  20           HA       CYS  20  -1.719   0.063   0.935
  153   1HB   CYS  20          2HB       CYS  20   1.167  -0.370   1.773
  154   2HB   CYS  20          1HB       CYS  20   0.443  -0.978   0.325
  155    H    ASN  21           H        ASN  21  -2.964  -1.627   1.358
  156    HA   ASN  21           HA       ASN  21  -2.830  -3.210   3.728
  157   1HB   ASN  21          2HB       ASN  21  -4.691  -4.464   2.730
  158   2HB   ASN  21          1HB       ASN  21  -4.904  -2.752   2.445
  159   1HD2  ASN  21          2HD2      ASN  21  -5.660  -4.145  -0.791
  160   2HD2  ASN  21          1HD2      ASN  21  -6.376  -3.884   0.727
  161    H    ARG  22           H        ARG  22  -3.211  -5.673   3.343
  162    HA   ARG  22           HA       ARG  22  -0.724  -6.882   3.061
  163   1HB   ARG  22          2HB       ARG  22  -2.117  -9.027   3.119
  164   2HB   ARG  22          1HB       ARG  22  -2.333  -7.925   4.456
  165   1HG   ARG  22          2HG       ARG  22  -4.490  -7.314   3.810
  166   2HG   ARG  22          1HG       ARG  22  -4.181  -7.537   2.105
  167   1HD   ARG  22          2HD       ARG  22  -5.688  -9.314   2.825
  168   2HD   ARG  22          1HD       ARG  22  -4.123 -10.050   2.507
  169    HE   ARG  22           HE       ARG  22  -3.805 -10.350   4.862
  170   1HH1  ARG  22          1HH2      ARG  22  -4.897  -7.815   5.873
  171   2HH1  ARG  22          2HH2      ARG  22  -6.373  -8.296   6.642
  172   1HH2  ARG  22          2HH1      ARG  22  -6.442 -11.395   5.006
  173   2HH2  ARG  22          1HH1      ARG  22  -7.270 -10.378   6.137
  174    H    PHE  23           H        PHE  23  -3.050  -6.157   0.672
  175    HA   PHE  23           HA       PHE  23  -2.040  -8.125  -1.289
  176   1HB   PHE  23          2HB       PHE  23  -4.342  -6.180  -1.120
  177   2HB   PHE  23          1HB       PHE  23  -3.777  -6.622  -2.715
  178    HD1  PHE  23           HD2      PHE  23  -3.894  -8.833   0.319
  179    HD2  PHE  23           HD1      PHE  23  -5.539  -7.961  -3.519
  180    HE1  PHE  23           HE2      PHE  23  -5.199 -10.898   0.406
  181    HE2  PHE  23           HE1      PHE  23  -6.841 -10.032  -3.424
  182    HZ   PHE  23           HZ       PHE  23  -6.676 -11.507  -1.462
  183    H    ASN  24           H        ASN  24  -0.617  -5.672  -0.095
  184    HA   ASN  24           HA       ASN  24   0.852  -4.003  -0.744
  185   1HB   ASN  24          2HB       ASN  24   1.149  -5.929  -3.118
  186   2HB   ASN  24          1HB       ASN  24   2.308  -4.674  -2.696
  187   1HD2  ASN  24          2HD2      ASN  24   1.999  -8.018  -0.337
  188   2HD2  ASN  24          1HD2      ASN  24   0.731  -7.608  -1.388
  189    H    LYS  25           H        LYS  25  -1.768  -3.557  -1.307
  190    HA   LYS  25           HA       LYS  25  -1.669  -1.735  -3.658
  191   1HB   LYS  25          2HB       LYS  25  -3.693  -3.786  -2.766
  192   2HB   LYS  25          1HB       LYS  25  -4.310  -2.306  -3.452
  193   1HG   LYS  25          2HG       LYS  25  -2.662  -2.725  -5.425
  194   2HG   LYS  25          1HG       LYS  25  -2.395  -4.308  -4.740
  195   1HD   LYS  25          2HD       LYS  25  -5.191  -3.296  -5.412
  196   2HD   LYS  25          1HD       LYS  25  -4.191  -4.102  -6.604
  197   1HE   LYS  25          2HE       LYS  25  -5.041  -5.306  -3.934
  198   2HE   LYS  25          1HE       LYS  25  -5.709  -5.719  -5.502
  199   1HZ   LYS  25          3HZ       LYS  25  -3.420  -6.357  -6.180
  200   2HZ   LYS  25          2HZ       LYS  25  -2.947  -6.180  -4.560
  201   3HZ   LYS  25          1HZ       LYS  25  -4.114  -7.339  -4.980
  202    H    CYS  26           H        CYS  26  -2.935   0.232  -3.287
  203    HA   CYS  26           HA       CYS  26  -2.593   1.220  -0.628
  204   1HB   CYS  26          2HB       CYS  26  -3.970   2.296  -3.061
  205   2HB   CYS  26          1HB       CYS  26  -3.891   3.189  -1.579
  206    H    VAL  27           H        VAL  27  -4.286   2.448   0.431
  207    HA   VAL  27           HA       VAL  27  -6.876   0.961   0.636
  208    HB   VAL  27           HB       VAL  27  -5.212   2.153   2.913
  209   1HG1  VAL  27          2HG1      VAL  27  -7.856   0.635   2.867
  210   2HG1  VAL  27          1HG1      VAL  27  -6.873   0.768   4.317
  211   3HG1  VAL  27          3HG1      VAL  27  -7.533   2.210   3.575
  212   1HG2  VAL  27          3HG2      VAL  27  -5.685  -0.744   2.080
  213   2HG2  VAL  27          2HG2      VAL  27  -4.153   0.104   1.982
  214   3HG2  VAL  27          1HG2      VAL  27  -4.850  -0.259   3.547
   
  No H/Q in entry =         214
  Start of MODEL    8
    1   1H    CYS   1          1H        CYS   1   0.792  11.380  -5.076
    2   2H    CYS   1          3H        CYS   1  -0.524  12.451  -5.152
    3   3H    CYS   1          2H        CYS   1   0.714  12.710  -4.019
    4    HA   CYS   1           HA       CYS   1   0.136  10.644  -2.894
    5   1HB   CYS   1          2HB       CYS   1  -1.402  11.807  -1.655
    6   2HB   CYS   1          1HB       CYS   1  -1.109  13.098  -2.767
    7    H    ARG   2           H        ARG   2  -0.143   8.689  -3.736
    8    HA   ARG   2           HA       ARG   2  -1.648   8.094  -6.097
    9   1HB   ARG   2          2HB       ARG   2  -0.002   6.613  -4.134
   10   2HB   ARG   2          1HB       ARG   2  -1.300   5.632  -4.765
   11   1HG   ARG   2          2HG       ARG   2   0.555   7.246  -6.562
   12   2HG   ARG   2          1HG       ARG   2   0.926   5.610  -6.071
   13   1HD   ARG   2          2HD       ARG   2  -0.236   5.010  -7.956
   14   2HD   ARG   2          1HD       ARG   2  -1.665   5.263  -6.966
   15    HE   ARG   2           HE       ARG   2  -1.965   7.431  -7.996
   16   1HH1  ARG   2          2HH1      ARG   2   1.144   7.502  -8.494
   17   2HH1  ARG   2          1HH1      ARG   2   1.153   7.591 -10.223
   18   1HH2  ARG   2          1HH2      ARG   2  -2.227   6.694 -10.480
   19   2HH2  ARG   2          2HH2      ARG   2  -0.809   7.121 -11.379
   20    H    ILE   3           H        ILE   3  -3.439   6.742  -6.370
   21    HA   ILE   3           HA       ILE   3  -5.597   7.347  -4.518
   22    HB   ILE   3           HB       ILE   3  -6.836   5.769  -6.280
   23   1HG1  ILE   3          2HG1      ILE   3  -4.428   5.193  -7.265
   24   2HG1  ILE   3          1HG1      ILE   3  -5.842   5.281  -8.283
   25   1HG2  ILE   3          3HG2      ILE   3  -5.892   8.604  -6.802
   26   2HG2  ILE   3          2HG2      ILE   3  -7.116   7.797  -7.774
   27   3HG2  ILE   3          1HG2      ILE   3  -7.398   8.084  -6.067
   28   1HD1  ILE   3          3HD1      ILE   3  -4.043   7.707  -7.893
   29   2HD1  ILE   3          2HD1      ILE   3  -3.728   6.495  -9.121
   30   3HD1  ILE   3          1HD1      ILE   3  -5.219   7.413  -9.165
   31    HA   HYP   4           HA       HYP   4  -5.932   3.531  -2.174
   32   1HB   HYP   4          1HB       HYP   4  -8.098   3.342  -1.447
   33   2HB   HYP   4          2HB       HYP   4  -8.760   3.386  -3.071
   34   1HD   HYP   4          1HD1      HYP   4  -6.812   6.895  -2.773
   35   2HD   HYP   4          2HD1      HYP   4  -7.817   6.398  -4.146
   36    HOD  HYP   4           HD2      HYP   4  -6.962   5.348  -0.874
   37    HG   HYP   4           HG       HYP   4  -9.324   5.632  -2.438
   38    H    ASN   5           H        ASN   5  -6.284   1.343  -2.395
   39    HA   ASN   5           HA       ASN   5  -5.940  -0.707  -3.356
   40   1HB   ASN   5          2HB       ASN   5  -7.636  -1.411  -4.874
   41   2HB   ASN   5          1HB       ASN   5  -8.375  -0.143  -3.923
   42   1HD2  ASN   5          2HD2      ASN   5  -7.614   0.559  -7.901
   43   2HD2  ASN   5          1HD2      ASN   5  -6.713  -0.626  -7.087
   44    H    GLN   6           H        GLN   6  -4.582   1.867  -4.858
   45    HA   GLN   6           HA       GLN   6  -3.737   0.563  -7.334
   46   1HB   GLN   6          2HB       GLN   6  -3.991   3.101  -6.912
   47   2HB   GLN   6          1HB       GLN   6  -2.484   3.014  -6.029
   48   1HG   GLN   6          2HG       GLN   6  -1.263   2.986  -7.961
   49   2HG   GLN   6          1HG       GLN   6  -2.162   1.621  -8.586
   50   1HE2  GLN   6          2HE2      GLN   6  -4.670   3.863 -10.109
   51   2HE2  GLN   6          1HE2      GLN   6  -4.686   2.547  -9.035
   52    H    LYS   7           H        LYS   7  -1.945  -0.648  -7.592
   53    HA   LYS   7           HA       LYS   7  -0.641  -1.928  -5.509
   54   1HB   LYS   7          2HB       LYS   7   0.815  -2.837  -7.131
   55   2HB   LYS   7          1HB       LYS   7  -0.671  -2.508  -7.977
   56   1HG   LYS   7          2HG       LYS   7   0.725  -1.581  -9.525
   57   2HG   LYS   7          1HG       LYS   7   0.590  -0.164  -8.512
   58   1HD   LYS   7          2HD       LYS   7   2.657  -1.230  -7.209
   59   2HD   LYS   7          1HD       LYS   7   2.821  -2.236  -8.627
   60   1HE   LYS   7          2HE       LYS   7   3.039  -0.219 -10.056
   61   2HE   LYS   7          1HE       LYS   7   2.807   0.814  -8.651
   62   1HZ   LYS   7          3HZ       LYS   7   4.799  -0.804  -7.859
   63   2HZ   LYS   7          2HZ       LYS   7   5.137  -0.618  -9.512
   64   3HZ   LYS   7          1HZ       LYS   7   5.002   0.748  -8.514
   65    H    CYS   8           H        CYS   8   0.550  -1.254  -3.975
   66    HA   CYS   8           HA       CYS   8   2.762   0.680  -4.384
   67   1HB   CYS   8          2HB       CYS   8   2.108   1.895  -2.341
   68   2HB   CYS   8          1HB       CYS   8   0.911   2.010  -3.596
   69    H    PHE   9           H        PHE   9   4.069   0.799  -2.298
   70    HA   PHE   9           HA       PHE   9   4.444  -1.979  -1.238
   71   1HB   PHE   9          2HB       PHE   9   6.415   0.264  -1.803
   72   2HB   PHE   9          1HB       PHE   9   6.851  -1.160  -0.871
   73    HD1  PHE   9           HD1      PHE   9   5.634  -0.013  -4.200
   74    HD2  PHE   9           HD2      PHE   9   7.245  -3.274  -1.972
   75    HE1  PHE   9           HE1      PHE   9   5.994  -1.261  -6.279
   76    HE2  PHE   9           HE2      PHE   9   7.601  -4.516  -4.056
   77    HZ   PHE   9           HZ       PHE   9   6.977  -3.513  -6.212
   78    H    GLN  10           H        GLN  10   4.454  -2.290   0.895
   79    HA   GLN  10           HA       GLN  10   3.302  -0.469   2.665
   80   1HB   GLN  10          2HB       GLN  10   5.006  -2.953   3.117
   81   2HB   GLN  10          1HB       GLN  10   4.339  -2.058   4.465
   82   1HG   GLN  10          2HG       GLN  10   2.709  -3.746   4.041
   83   2HG   GLN  10          1HG       GLN  10   2.025  -2.314   3.288
   84   1HE2  GLN  10          2HE2      GLN  10   3.335  -5.412   0.957
   85   2HE2  GLN  10          1HE2      GLN  10   3.769  -5.344   2.596
   86    H    HIS  11           H        HIS  11   6.607  -1.209   1.936
   87    HA   HIS  11           HA       HIS  11   7.858   0.400   3.960
   88   1HB   HIS  11          2HB       HIS  11   8.894  -1.531   2.578
   89   2HB   HIS  11          1HB       HIS  11   9.082  -0.366   1.274
   90    HD1  HIS  11           HD1      HIS  11  11.063   1.189   1.546
   91    HD2  HIS  11           HD2      HIS  11  10.305  -0.811   5.022
   92    HE1  HIS  11           HE1      HIS  11  12.928   1.721   3.071
   93    H    LEU  12           H        LEU  12   7.111   0.906   0.572
   94    HA   LEU  12           HA       LEU  12   7.640   3.846   0.854
   95   1HB   LEU  12          2HB       LEU  12   7.733   1.982  -1.562
   96   2HB   LEU  12          1HB       LEU  12   7.847   3.723  -1.702
   97    HG   LEU  12           HG       LEU  12   9.742   2.226   0.155
   98   1HD1  LEU  12          3HD1      LEU  12  10.141   2.687  -2.830
   99   2HD1  LEU  12          2HD1      LEU  12  11.357   2.072  -1.722
  100   3HD1  LEU  12          1HD1      LEU  12   9.922   1.124  -2.061
  101   1HD2  LEU  12          2HD2      LEU  12   9.853   4.863  -1.376
  102   2HD2  LEU  12          1HD2      LEU  12   9.756   4.662   0.366
  103   3HD2  LEU  12          3HD2      LEU  12  11.215   4.200  -0.490
  104    H    ASP  13           H        ASP  13   5.556   3.673   1.942
  105    HA   ASP  13           HA       ASP  13   3.161   3.179   0.404
  106   1HB   ASP  13          2HB       ASP  13   3.621   3.311   3.064
  107   2HB   ASP  13          1HB       ASP  13   3.092   4.969   2.853
  108    H    ASP  14           H        ASP  14   3.138   4.304  -1.365
  109    HA   ASP  14           HA       ASP  14   3.615   7.198  -1.494
  110   1HB   ASP  14          2HB       ASP  14   3.084   6.691  -3.987
  111   2HB   ASP  14          1HB       ASP  14   4.537   5.976  -3.316
  112    H    CYS  15           H        CYS  15   0.980   5.199  -0.892
  113    HA   CYS  15           HA       CYS  15  -1.150   6.426  -2.260
  114   1HB   CYS  15          2HB       CYS  15  -1.334   5.321   0.521
  115   2HB   CYS  15          1HB       CYS  15  -2.543   5.287  -0.737
  116    H    CYS  16           H        CYS  16  -2.763   7.780  -1.578
  117    HA   CYS  16           HA       CYS  16  -1.881  10.244  -0.353
  118   1HB   CYS  16          2HB       CYS  16  -3.832   9.635  -2.137
  119   2HB   CYS  16          1HB       CYS  16  -4.810   9.596  -0.703
  120    H    SER  17           H        SER  17  -3.702   7.447   0.583
  121    HA   SER  17           HA       SER  17  -4.489   8.390   3.213
  122   1HB   SER  17          2HB       SER  17  -5.326   6.040   3.424
  123   2HB   SER  17          1HB       SER  17  -5.799   6.679   1.846
  124    HG   SER  17           HG       SER  17  -3.783   5.796   1.064
  125    H    ARG  18           H        ARG  18  -1.710   7.176   1.785
  126    HA   ARG  18           HA       ARG  18   0.368   6.482   2.538
  127   1HB   ARG  18          2HB       ARG  18  -0.551   7.575   5.244
  128   2HB   ARG  18          1HB       ARG  18   1.102   7.331   4.729
  129   1HG   ARG  18          2HG       ARG  18   0.818   9.018   2.926
  130   2HG   ARG  18          1HG       ARG  18  -0.842   9.287   3.424
  131   1HD   ARG  18          2HD       ARG  18   1.501   9.663   5.336
  132   2HD   ARG  18          1HD       ARG  18   0.855  10.965   4.346
  133    HE   ARG  18           HE       ARG  18  -1.288  10.737   5.530
  134   1HH1  ARG  18          1HH2      ARG  18  -1.735   8.355   6.726
  135   2HH1  ARG  18          2HH2      ARG  18  -1.046   8.417   8.313
  136   1HH2  ARG  18          2HH1      ARG  18   0.991  11.160   7.542
  137   2HH2  ARG  18          1HH1      ARG  18   0.535  10.045   8.787
  138    H    LYS  19           H        LYS  19  -1.995   4.779   2.689
  139    HA   LYS  19           HA       LYS  19  -1.043   2.740   4.621
  140   1HB   LYS  19          2HB       LYS  19  -3.784   3.842   4.062
  141   2HB   LYS  19          1HB       LYS  19  -3.621   2.175   4.544
  142   1HG   LYS  19          2HG       LYS  19  -2.698   2.760   6.677
  143   2HG   LYS  19          1HG       LYS  19  -2.256   4.372   6.139
  144   1HD   LYS  19          2HD       LYS  19  -4.662   4.985   5.960
  145   2HD   LYS  19          1HD       LYS  19  -5.116   3.379   6.506
  146   1HE   LYS  19          2HE       LYS  19  -3.933   3.777   8.664
  147   2HE   LYS  19          1HE       LYS  19  -3.461   5.379   8.110
  148   1HZ   LYS  19          2HZ       LYS  19  -6.295   4.698   8.021
  149   2HZ   LYS  19          1HZ       LYS  19  -5.596   4.981   9.543
  150   3HZ   LYS  19          3HZ       LYS  19  -5.538   6.183   8.346
  151    H    CYS  20           H        CYS  20  -0.478   0.932   3.626
  152    HA   CYS  20           HA       CYS  20  -1.695   0.205   1.023
  153   1HB   CYS  20          2HB       CYS  20   1.160   0.097   2.036
  154   2HB   CYS  20          1HB       CYS  20   0.636  -0.888   0.711
  155    H    ASN  21           H        ASN  21  -2.907  -1.531   1.386
  156    HA   ASN  21           HA       ASN  21  -2.781  -3.121   3.777
  157   1HB   ASN  21          2HB       ASN  21  -4.473  -4.592   2.451
  158   2HB   ASN  21          1HB       ASN  21  -4.926  -2.929   2.755
  159   1HD2  ASN  21          2HD2      ASN  21  -3.498  -3.513  -1.036
  160   2HD2  ASN  21          1HD2      ASN  21  -2.582  -4.014   0.295
  161    H    ARG  22           H        ARG  22  -2.930  -5.585   3.496
  162    HA   ARG  22           HA       ARG  22  -0.375  -6.590   3.040
  163   1HB   ARG  22          2HB       ARG  22  -1.403  -8.770   3.524
  164   2HB   ARG  22          1HB       ARG  22  -1.982  -7.545   4.620
  165   1HG   ARG  22          2HG       ARG  22  -4.107  -8.126   4.061
  166   2HG   ARG  22          1HG       ARG  22  -3.838  -7.423   2.482
  167   1HD   ARG  22          2HD       ARG  22  -4.587  -9.720   2.174
  168   2HD   ARG  22          1HD       ARG  22  -2.887  -9.661   1.724
  169    HE   ARG  22           HE       ARG  22  -3.710 -10.503   4.475
  170   1HH1  ARG  22          1HH2      ARG  22  -0.951 -10.729   4.251
  171   2HH1  ARG  22          2HH2      ARG  22  -0.643 -12.281   3.548
  172   1HH2  ARG  22          2HH1      ARG  22  -3.924 -12.601   2.350
  173   2HH2  ARG  22          1HH1      ARG  22  -2.375 -13.373   2.441
  174    H    PHE  23           H        PHE  23  -2.810  -5.971   0.760
  175    HA   PHE  23           HA       PHE  23  -1.964  -8.035  -1.158
  176   1HB   PHE  23          2HB       PHE  23  -4.047  -5.811  -1.197
  177   2HB   PHE  23          1HB       PHE  23  -3.747  -6.864  -2.559
  178    HD1  PHE  23           HD1      PHE  23  -3.837  -9.457  -2.055
  179    HD2  PHE  23           HD2      PHE  23  -5.626  -6.484   0.422
  180    HE1  PHE  23           HE1      PHE  23  -5.329 -11.150  -1.097
  181    HE2  PHE  23           HE2      PHE  23  -7.117  -8.181   1.376
  182    HZ   PHE  23           HZ       PHE  23  -6.972 -10.517   0.619
  183    H    ASN  24           H        ASN  24  -0.477  -5.523  -0.086
  184    HA   ASN  24           HA       ASN  24   0.973  -3.895  -0.843
  185   1HB   ASN  24          2HB       ASN  24   1.239  -6.131  -2.919
  186   2HB   ASN  24          1HB       ASN  24   2.286  -4.716  -2.954
  187   1HD2  ASN  24          2HD2      ASN  24   2.531  -7.194   0.329
  188   2HD2  ASN  24          1HD2      ASN  24   1.046  -7.042  -0.480
  189    H    LYS  25           H        LYS  25  -1.581  -3.377  -1.300
  190    HA   LYS  25           HA       LYS  25  -1.556  -1.678  -3.732
  191   1HB   LYS  25          2HB       LYS  25  -3.568  -3.706  -2.749
  192   2HB   LYS  25          1HB       LYS  25  -4.190  -2.233  -3.444
  193   1HG   LYS  25          2HG       LYS  25  -3.256  -2.747  -5.590
  194   2HG   LYS  25          1HG       LYS  25  -2.036  -3.795  -4.904
  195   1HD   LYS  25          2HD       LYS  25  -3.689  -5.185  -6.017
  196   2HD   LYS  25          1HD       LYS  25  -3.795  -5.462  -4.295
  197   1HE   LYS  25          2HE       LYS  25  -5.603  -3.420  -5.649
  198   2HE   LYS  25          1HE       LYS  25  -6.022  -5.123  -5.608
  199   1HZ   LYS  25          1HZ       LYS  25  -5.383  -4.708  -3.063
  200   2HZ   LYS  25          3HZ       LYS  25  -5.998  -3.180  -3.475
  201   3HZ   LYS  25          2HZ       LYS  25  -6.956  -4.566  -3.684
  202    H    CYS  26           H        CYS  26  -3.093   0.216  -3.353
  203    HA   CYS  26           HA       CYS  26  -2.559   1.260  -0.703
  204   1HB   CYS  26          2HB       CYS  26  -4.019   2.297  -3.117
  205   2HB   CYS  26          1HB       CYS  26  -3.919   3.203  -1.636
  206    H    VAL  27           H        VAL  27  -4.328   2.458   0.385
  207    HA   VAL  27           HA       VAL  27  -6.823   0.823   0.590
  208    HB   VAL  27           HB       VAL  27  -5.255   2.047   2.906
  209   1HG1  VAL  27          2HG1      VAL  27  -7.611   0.106   2.787
  210   2HG1  VAL  27          1HG1      VAL  27  -6.727   0.476   4.257
  211   3HG1  VAL  27          3HG1      VAL  27  -7.639   1.736   3.446
  212   1HG2  VAL  27          3HG2      VAL  27  -5.327  -0.829   1.878
  213   2HG2  VAL  27          2HG2      VAL  27  -3.919   0.212   1.936
  214   3HG2  VAL  27          1HG2      VAL  27  -4.636  -0.366   3.423
   
  No H/Q in entry =         214
  Start of MODEL    9
    1   1H    CYS   1          2H        CYS   1  -1.110  12.953  -5.023
    2   2H    CYS   1          1H        CYS   1   0.084  13.331  -3.875
    3   3H    CYS   1          3H        CYS   1   0.340  12.073  -4.987
    4    HA   CYS   1           HA       CYS   1  -0.203  11.141  -2.858
    5   1HB   CYS   1          2HB       CYS   1  -1.838  12.050  -1.541
    6   2HB   CYS   1          1HB       CYS   1  -1.731  13.413  -2.594
    7    H    ARG   2           H        ARG   2  -0.448   9.139  -3.572
    8    HA   ARG   2           HA       ARG   2  -1.770   8.456  -6.035
    9   1HB   ARG   2          2HB       ARG   2   0.009   7.196  -4.125
   10   2HB   ARG   2          1HB       ARG   2  -1.289   6.085  -4.456
   11   1HG   ARG   2          2HG       ARG   2  -0.207   7.362  -6.919
   12   2HG   ARG   2          1HG       ARG   2   1.009   6.509  -6.000
   13   1HD   ARG   2          2HD       ARG   2  -0.973   4.632  -5.917
   14   2HD   ARG   2          1HD       ARG   2  -1.387   5.430  -7.428
   15    HE   ARG   2           HE       ARG   2   0.631   4.613  -8.374
   16   1HH1  ARG   2          1HH2      ARG   2   2.914   4.927  -7.131
   17   2HH1  ARG   2          2HH2      ARG   2   3.231   3.547  -6.133
   18   1HH2  ARG   2          2HH1      ARG   2  -0.099   2.479  -6.177
   19   2HH2  ARG   2          1HH1      ARG   2   1.491   2.138  -5.579
   20    H    ILE   3           H        ILE   3  -3.462   6.949  -6.383
   21    HA   ILE   3           HA       ILE   3  -5.739   7.424  -4.664
   22    HB   ILE   3           HB       ILE   3  -6.948   6.195  -6.449
   23   1HG1  ILE   3          2HG1      ILE   3  -4.191   5.730  -7.677
   24   2HG1  ILE   3          1HG1      ILE   3  -5.211   4.493  -6.969
   25   1HG2  ILE   3          2HG2      ILE   3  -6.272   8.659  -6.665
   26   2HG2  ILE   3          1HG2      ILE   3  -4.952   8.128  -7.693
   27   3HG2  ILE   3          3HG2      ILE   3  -6.615   7.852  -8.183
   28   1HD1  ILE   3          2HD1      ILE   3  -7.005   5.472  -8.714
   29   2HD1  ILE   3          1HD1      ILE   3  -5.540   5.925  -9.568
   30   3HD1  ILE   3          3HD1      ILE   3  -5.842   4.242  -9.173
   31    HA   HYP   4           HA       HYP   4  -5.834   3.618  -2.314
   32   1HB   HYP   4          1HB       HYP   4  -7.935   3.411  -1.482
   33   2HB   HYP   4          2HB       HYP   4  -8.631   3.106  -3.066
   34   1HD   HYP   4          1HD1      HYP   4  -7.151   6.892  -3.167
   35   2HD   HYP   4          2HD1      HYP   4  -7.988   6.134  -4.532
   36    HOD  HYP   4           HD2      HYP   4  -8.546   6.663  -1.325
   37    HG   HYP   4           HG       HYP   4  -9.488   5.312  -2.865
   38    H    ASN   5           H        ASN   5  -6.290   1.354  -2.469
   39    HA   ASN   5           HA       ASN   5  -5.827  -0.694  -3.382
   40   1HB   ASN   5          2HB       ASN   5  -7.444  -1.438  -5.018
   41   2HB   ASN   5          1HB       ASN   5  -8.240  -0.291  -3.963
   42   1HD2  ASN   5          2HD2      ASN   5  -9.089   1.895  -6.563
   43   2HD2  ASN   5          1HD2      ASN   5  -9.227   1.487  -4.921
   44    H    GLN   6           H        GLN   6  -4.274   1.734  -4.730
   45    HA   GLN   6           HA       GLN   6  -3.463   0.462  -7.248
   46   1HB   GLN   6          2HB       GLN   6  -3.661   3.040  -6.649
   47   2HB   GLN   6          1HB       GLN   6  -2.051   2.822  -6.008
   48   1HG   GLN   6          2HG       GLN   6  -1.365   3.186  -8.187
   49   2HG   GLN   6          1HG       GLN   6  -1.825   1.519  -8.455
   50   1HE2  GLN   6          2HE2      GLN   6  -3.836   4.414 -10.338
   51   2HE2  GLN   6          1HE2      GLN   6  -2.385   4.681  -9.499
   52    H    LYS   7           H        LYS   7  -1.729  -0.726  -7.521
   53    HA   LYS   7           HA       LYS   7  -0.449  -2.169  -5.596
   54   1HB   LYS   7          2HB       LYS   7  -0.123  -1.694  -8.426
   55   2HB   LYS   7          1HB       LYS   7   1.473  -1.816  -7.727
   56   1HG   LYS   7          2HG       LYS   7  -0.697  -3.838  -7.065
   57   2HG   LYS   7          1HG       LYS   7   0.307  -4.011  -8.484
   58   1HD   LYS   7          2HD       LYS   7   1.686  -3.511  -5.835
   59   2HD   LYS   7          1HD       LYS   7   1.026  -5.106  -6.136
   60   1HE   LYS   7          2HE       LYS   7   2.363  -5.331  -8.180
   61   2HE   LYS   7          1HE       LYS   7   2.938  -3.675  -8.030
   62   1HZ   LYS   7          1HZ       LYS   7   3.427  -5.846  -6.078
   63   2HZ   LYS   7          3HZ       LYS   7   4.545  -5.264  -7.216
   64   3HZ   LYS   7          2HZ       LYS   7   4.004  -4.253  -5.963
   65    H    CYS   8           H        CYS   8   0.321  -1.261  -3.833
   66    HA   CYS   8           HA       CYS   8   2.882   0.237  -3.990
   67   1HB   CYS   8          2HB       CYS   8   2.157   1.805  -2.316
   68   2HB   CYS   8          1HB       CYS   8   1.036   1.860  -3.644
   69    H    PHE   9           H        PHE   9   4.265  -0.214  -2.278
   70    HA   PHE   9           HA       PHE   9   3.612  -2.690  -0.819
   71   1HB   PHE   9          2HB       PHE   9   5.946  -1.757  -2.007
   72   2HB   PHE   9          1HB       PHE   9   6.267  -1.453  -0.312
   73    HD1  PHE   9           HD2      PHE   9   6.072  -3.380   1.346
   74    HD2  PHE   9           HD1      PHE   9   5.897  -3.987  -2.871
   75    HE1  PHE   9           HE2      PHE   9   6.532  -5.766   1.666
   76    HE2  PHE   9           HE1      PHE   9   6.361  -6.371  -2.546
   77    HZ   PHE   9           HZ       PHE   9   6.679  -7.267  -0.278
   78    H    GLN  10           H        GLN  10   4.024  -2.982   1.347
   79    HA   GLN  10           HA       GLN  10   2.783  -1.199   3.097
   80   1HB   GLN  10          2HB       GLN  10   4.651  -3.542   3.632
   81   2HB   GLN  10          1HB       GLN  10   3.761  -2.725   4.897
   82   1HG   GLN  10          2HG       GLN  10   2.352  -4.559   4.350
   83   2HG   GLN  10          1HG       GLN  10   1.620  -3.230   3.470
   84   1HE2  GLN  10          2HE2      GLN  10   2.145  -4.716   0.337
   85   2HE2  GLN  10          1HE2      GLN  10   1.425  -3.468   1.239
   86    H    HIS  11           H        HIS  11   5.918  -1.253   1.902
   87    HA   HIS  11           HA       HIS  11   7.025   0.528   4.018
   88   1HB   HIS  11          2HB       HIS  11   8.168  -1.527   2.169
   89   2HB   HIS  11          1HB       HIS  11   9.133  -0.068   2.294
   90    HD1  HIS  11           HD1      HIS  11   9.467  -3.050   3.688
   91    HD2  HIS  11           HD2      HIS  11   8.795   0.531   5.526
   92    HE1  HIS  11           HE1      HIS  11  10.261  -3.301   6.010
   93    H    LEU  12           H        LEU  12   6.255   0.228   0.650
   94    HA   LEU  12           HA       LEU  12   7.128   3.022   0.088
   95   1HB   LEU  12          2HB       LEU  12   6.299   0.784  -1.812
   96   2HB   LEU  12          1HB       LEU  12   6.944   2.341  -2.296
   97    HG   LEU  12           HG       LEU  12   8.455   0.318  -0.555
   98   1HD1  LEU  12          1HD1      LEU  12   8.768   0.966  -3.513
   99   2HD1  LEU  12          3HD1      LEU  12   9.822  -0.091  -2.584
  100   3HD1  LEU  12          2HD1      LEU  12   8.146  -0.539  -2.850
  101   1HD2  LEU  12          3HD2      LEU  12   9.252   2.992  -1.790
  102   2HD2  LEU  12          2HD2      LEU  12   9.314   2.529  -0.096
  103   3HD2  LEU  12          1HD2      LEU  12  10.434   1.818  -1.239
  104    H    ASP  13           H        ASP  13   5.281   3.489   1.525
  105    HA   ASP  13           HA       ASP  13   2.593   3.293   0.361
  106   1HB   ASP  13          2HB       ASP  13   3.726   4.499   2.914
  107   2HB   ASP  13          1HB       ASP  13   2.043   4.719   2.460
  108    H    ASP  14           H        ASP  14   2.680   4.376  -1.478
  109    HA   ASP  14           HA       ASP  14   3.470   7.204  -1.646
  110   1HB   ASP  14          2HB       ASP  14   2.696   6.748  -4.108
  111   2HB   ASP  14          1HB       ASP  14   4.157   5.954  -3.551
  112    H    CYS  15           H        CYS  15   0.718   5.267  -1.251
  113    HA   CYS  15           HA       CYS  15  -1.433   6.572  -2.325
  114   1HB   CYS  15          2HB       CYS  15  -1.450   5.478   0.442
  115   2HB   CYS  15          1HB       CYS  15  -2.716   5.352  -0.759
  116    H    CYS  16           H        CYS  16  -3.038   7.878  -1.538
  117    HA   CYS  16           HA       CYS  16  -2.145  10.362  -0.382
  118   1HB   CYS  16          2HB       CYS  16  -4.249   9.663  -1.956
  119   2HB   CYS  16          1HB       CYS  16  -5.066   9.606  -0.423
  120    H    SER  17           H        SER  17  -3.856   7.532   0.698
  121    HA   SER  17           HA       SER  17  -4.297   8.423   3.426
  122   1HB   SER  17          2HB       SER  17  -5.195   6.094   3.668
  123   2HB   SER  17          1HB       SER  17  -5.849   6.831   2.202
  124    HG   SER  17           HG       SER  17  -3.621   5.095   2.447
  125    H    ARG  18           H        ARG  18  -1.734   7.187   1.670
  126    HA   ARG  18           HA       ARG  18   0.356   6.318   2.153
  127   1HB   ARG  18          2HB       ARG  18  -0.280   7.697   4.819
  128   2HB   ARG  18          1HB       ARG  18   1.302   7.076   4.418
  129   1HG   ARG  18          2HG       ARG  18  -0.179   9.141   2.718
  130   2HG   ARG  18          1HG       ARG  18   0.973   9.562   3.963
  131   1HD   ARG  18          2HD       ARG  18   1.567   8.012   1.405
  132   2HD   ARG  18          1HD       ARG  18   2.189   9.586   1.873
  133    HE   ARG  18           HE       ARG  18   2.988   6.985   3.084
  134   1HH1  ARG  18          1HH2      ARG  18   3.061   9.374   4.926
  135   2HH1  ARG  18          2HH2      ARG  18   4.696   9.914   4.741
  136   1HH2  ARG  18          2HH1      ARG  18   5.177   8.056   1.805
  137   2HH2  ARG  18          1HH1      ARG  18   5.929   9.147   2.923
  138    H    LYS  19           H        LYS  19  -2.009   4.716   2.618
  139    HA   LYS  19           HA       LYS  19  -0.922   2.696   4.519
  140   1HB   LYS  19          2HB       LYS  19  -3.693   3.787   4.084
  141   2HB   LYS  19          1HB       LYS  19  -3.508   2.113   4.547
  142   1HG   LYS  19          2HG       LYS  19  -2.279   2.748   6.572
  143   2HG   LYS  19          1HG       LYS  19  -2.224   4.428   6.062
  144   1HD   LYS  19          2HD       LYS  19  -4.704   4.561   6.200
  145   2HD   LYS  19          1HD       LYS  19  -4.774   2.873   6.679
  146   1HE   LYS  19          2HE       LYS  19  -3.397   3.410   8.705
  147   2HE   LYS  19          1HE       LYS  19  -3.401   5.106   8.237
  148   1HZ   LYS  19          1HZ       LYS  19  -5.973   3.745   8.416
  149   2HZ   LYS  19          3HZ       LYS  19  -5.171   4.111   9.867
  150   3HZ   LYS  19          2HZ       LYS  19  -5.561   5.353   8.777
  151    H    CYS  20           H        CYS  20  -0.373   0.894   3.530
  152    HA   CYS  20           HA       CYS  20  -1.675   0.119   0.986
  153   1HB   CYS  20          2HB       CYS  20   1.201  -0.053   1.935
  154   2HB   CYS  20          1HB       CYS  20   0.607  -0.895   0.538
  155    H    ASN  21           H        ASN  21  -2.879  -1.585   1.382
  156    HA   ASN  21           HA       ASN  21  -2.728  -3.173   3.769
  157   1HB   ASN  21          2HB       ASN  21  -4.439  -4.638   2.451
  158   2HB   ASN  21          1HB       ASN  21  -4.890  -2.979   2.778
  159   1HD2  ASN  21          2HD2      ASN  21  -3.535  -3.650  -1.043
  160   2HD2  ASN  21          1HD2      ASN  21  -2.661  -4.238   0.284
  161    H    ARG  22           H        ARG  22  -2.866  -5.632   3.519
  162    HA   ARG  22           HA       ARG  22  -0.317  -6.613   2.961
  163   1HB   ARG  22          2HB       ARG  22  -1.311  -8.807   3.518
  164   2HB   ARG  22          1HB       ARG  22  -1.794  -7.566   4.651
  165   1HG   ARG  22          2HG       ARG  22  -3.959  -7.299   3.317
  166   2HG   ARG  22          1HG       ARG  22  -3.465  -8.679   2.351
  167   1HD   ARG  22          2HD       ARG  22  -3.379 -10.095   4.383
  168   2HD   ARG  22          1HD       ARG  22  -3.860  -8.718   5.375
  169    HE   ARG  22           HE       ARG  22  -5.960  -8.680   3.865
  170   1HH1  ARG  22          2HH1      ARG  22  -5.034 -11.087   2.317
  171   2HH1  ARG  22          1HH1      ARG  22  -5.913 -12.368   3.086
  172   1HH2  ARG  22          1HH2      ARG  22  -6.684 -10.417   5.893
  173   2HH2  ARG  22          2HH2      ARG  22  -6.871 -11.977   5.165
  174    H    PHE  23           H        PHE  23  -2.857  -6.037   0.796
  175    HA   PHE  23           HA       PHE  23  -2.131  -8.148  -1.110
  176   1HB   PHE  23          2HB       PHE  23  -4.087  -5.828  -1.407
  177   2HB   PHE  23          1HB       PHE  23  -4.011  -7.294  -2.357
  178    HD1  PHE  23           HD1      PHE  23  -4.462  -9.539  -1.190
  179    HD2  PHE  23           HD2      PHE  23  -5.382  -5.783   0.602
  180    HE1  PHE  23           HE1      PHE  23  -5.999 -10.651   0.366
  181    HE2  PHE  23           HE2      PHE  23  -6.915  -6.899   2.155
  182    HZ   PHE  23           HZ       PHE  23  -7.230  -9.334   2.039
  183    H    ASN  24           H        ASN  24  -0.569  -5.649  -0.139
  184    HA   ASN  24           HA       ASN  24   0.914  -4.088  -0.948
  185   1HB   ASN  24          2HB       ASN  24   1.001  -6.159  -3.207
  186   2HB   ASN  24          1HB       ASN  24   2.197  -4.885  -2.980
  187   1HD2  ASN  24          2HD2      ASN  24   2.079  -8.020  -0.334
  188   2HD2  ASN  24          1HD2      ASN  24   0.735  -7.703  -1.322
  189    H    LYS  25           H        LYS  25  -1.689  -3.479  -1.337
  190    HA   LYS  25           HA       LYS  25  -1.603  -1.738  -3.741
  191   1HB   LYS  25          2HB       LYS  25  -3.689  -3.709  -2.821
  192   2HB   LYS  25          1HB       LYS  25  -4.251  -2.196  -3.474
  193   1HG   LYS  25          2HG       LYS  25  -2.917  -2.626  -5.555
  194   2HG   LYS  25          1HG       LYS  25  -2.304  -4.111  -4.860
  195   1HD   LYS  25          2HD       LYS  25  -5.302  -3.679  -5.100
  196   2HD   LYS  25          1HD       LYS  25  -4.378  -4.200  -6.495
  197   1HE   LYS  25          2HE       LYS  25  -3.561  -6.179  -5.280
  198   2HE   LYS  25          1HE       LYS  25  -4.362  -5.639  -3.810
  199   1HZ   LYS  25          1HZ       LYS  25  -6.092  -5.811  -6.100
  200   2HZ   LYS  25          3HZ       LYS  25  -5.430  -7.296  -5.611
  201   3HZ   LYS  25          2HZ       LYS  25  -6.320  -6.360  -4.509
  202    H    CYS  26           H        CYS  26  -3.072   0.225  -3.346
  203    HA   CYS  26           HA       CYS  26  -2.539   1.220  -0.689
  204   1HB   CYS  26          2HB       CYS  26  -4.065   2.297  -3.046
  205   2HB   CYS  26          1HB       CYS  26  -3.933   3.166  -1.553
  206    H    VAL  27           H        VAL  27  -4.321   2.369   0.470
  207    HA   VAL  27           HA       VAL  27  -6.775   0.671   0.657
  208    HB   VAL  27           HB       VAL  27  -5.258   1.938   2.984
  209   1HG1  VAL  27          3HG1      VAL  27  -7.570  -0.054   2.803
  210   2HG1  VAL  27          2HG1      VAL  27  -6.677   0.238   4.286
  211   3HG1  VAL  27          1HG1      VAL  27  -7.602   1.536   3.552
  212   1HG2  VAL  27          2HG2      VAL  27  -5.227  -0.938   1.966
  213   2HG2  VAL  27          1HG2      VAL  27  -3.858   0.150   1.968
  214   3HG2  VAL  27          3HG2      VAL  27  -4.511  -0.429   3.485
   
  No H/Q in entry =         214
  Start of MODEL   10
    1   1H    CYS   1          3H        CYS   1  -0.413  12.305  -5.243
    2   2H    CYS   1          2H        CYS   1   0.810  12.564  -4.091
    3   3H    CYS   1          1H        CYS   1   0.883  11.213  -5.118
    4    HA   CYS   1           HA       CYS   1   0.174  10.529  -2.943
    5   1HB   CYS   1          2HB       CYS   1  -1.349  11.751  -1.740
    6   2HB   CYS   1          1HB       CYS   1  -1.009  13.013  -2.870
    7    H    ARG   2           H        ARG   2  -0.122   8.577  -3.772
    8    HA   ARG   2           HA       ARG   2  -1.645   7.970  -6.119
    9   1HB   ARG   2          2HB       ARG   2   0.034   6.512  -4.175
   10   2HB   ARG   2          1HB       ARG   2  -1.285   5.520  -4.744
   11   1HG   ARG   2          2HG       ARG   2   0.519   7.093  -6.628
   12   2HG   ARG   2          1HG       ARG   2   0.893   5.463  -6.117
   13   1HD   ARG   2          2HD       ARG   2  -0.335   4.828  -7.938
   14   2HD   ARG   2          1HD       ARG   2  -1.735   5.137  -6.917
   15    HE   ARG   2           HE       ARG   2  -2.025   7.276  -8.010
   16   1HH1  ARG   2          1HH2      ARG   2   0.918   7.707  -8.578
   17   2HH1  ARG   2          2HH2      ARG   2   0.968   7.556 -10.303
   18   1HH2  ARG   2          2HH1      ARG   2  -2.188   6.037 -10.455
   19   2HH2  ARG   2          1HH1      ARG   2  -0.840   6.585 -11.396
   20    H    ILE   3           H        ILE   3  -3.451   6.609  -6.378
   21    HA   ILE   3           HA       ILE   3  -5.611   7.266  -4.590
   22    HB   ILE   3           HB       ILE   3  -6.910   5.831  -6.257
   23   1HG1  ILE   3          2HG1      ILE   3  -4.700   5.905  -8.243
   24   2HG1  ILE   3          1HG1      ILE   3  -4.348   4.840  -6.906
   25   1HG2  ILE   3          3HG2      ILE   3  -5.211   8.120  -7.328
   26   2HG2  ILE   3          2HG2      ILE   3  -6.681   7.521  -8.078
   27   3HG2  ILE   3          1HG2      ILE   3  -6.752   8.277  -6.496
   28   1HD1  ILE   3          3HD1      ILE   3  -6.890   4.751  -8.554
   29   2HD1  ILE   3          2HD1      ILE   3  -5.522   3.658  -8.725
   30   3HD1  ILE   3          1HD1      ILE   3  -6.469   3.654  -7.244
   31    HA   HYP   4           HA       HYP   4  -5.997   3.529  -2.079
   32   1HB   HYP   4          1HB       HYP   4  -8.182   3.453  -1.345
   33   2HB   HYP   4          2HB       HYP   4  -8.828   3.454  -2.974
   34   1HD   HYP   4          1HD1      HYP   4  -6.760   6.906  -2.734
   35   2HD   HYP   4          2HD1      HYP   4  -7.760   6.440  -4.120
   36    HOD  HYP   4           HD2      HYP   4  -7.591   6.718  -0.996
   37    HG   HYP   4           HG       HYP   4  -9.340   5.729  -2.483
   38    H    ASN   5           H        ASN   5  -6.226   1.370  -2.286
   39    HA   ASN   5           HA       ASN   5  -6.022  -0.709  -3.200
   40   1HB   ASN   5          2HB       ASN   5  -7.858  -1.381  -4.364
   41   2HB   ASN   5          1HB       ASN   5  -8.432   0.224  -4.014
   42   1HD2  ASN   5          2HD2      ASN   5  -7.347   0.843  -7.727
   43   2HD2  ASN   5          1HD2      ASN   5  -6.414   1.199  -6.360
   44    H    GLN   6           H        GLN   6  -4.593   1.812  -4.793
   45    HA   GLN   6           HA       GLN   6  -3.738   0.337  -7.162
   46   1HB   GLN   6          2HB       GLN   6  -4.036   2.803  -7.118
   47   2HB   GLN   6          1HB       GLN   6  -2.697   2.953  -5.998
   48   1HG   GLN   6          2HG       GLN   6  -1.953   3.394  -8.326
   49   2HG   GLN   6          1HG       GLN   6  -1.166   1.948  -7.718
   50   1HE2  GLN   6          2HE2      GLN   6  -3.938   1.695 -10.731
   51   2HE2  GLN   6          1HE2      GLN   6  -3.821   3.105  -9.796
   52    H    LYS   7           H        LYS   7  -1.923  -0.729  -7.471
   53    HA   LYS   7           HA       LYS   7  -0.511  -2.008  -5.468
   54   1HB   LYS   7          2HB       LYS   7   0.121  -1.399  -8.349
   55   2HB   LYS   7          1HB       LYS   7   1.323  -2.217  -7.373
   56   1HG   LYS   7          2HG       LYS   7  -1.553  -3.198  -7.447
   57   2HG   LYS   7          1HG       LYS   7  -0.417  -3.675  -8.685
   58   1HD   LYS   7          2HD       LYS   7   0.583  -3.991  -5.870
   59   2HD   LYS   7          1HD       LYS   7  -0.760  -5.027  -6.302
   60   1HE   LYS   7          2HE       LYS   7   1.339  -6.180  -6.810
   61   2HE   LYS   7          1HE       LYS   7   0.537  -5.796  -8.326
   62   1HZ   LYS   7          2HZ       LYS   7   2.494  -3.930  -7.164
   63   2HZ   LYS   7          1HZ       LYS   7   3.013  -5.279  -8.058
   64   3HZ   LYS   7          3HZ       LYS   7   2.013  -4.113  -8.782
   65    H    CYS   8           H        CYS   8   0.436  -1.039  -3.852
   66    HA   CYS   8           HA       CYS   8   2.684   0.856  -4.353
   67   1HB   CYS   8          2HB       CYS   8   2.002   2.107  -2.363
   68   2HB   CYS   8          1HB       CYS   8   0.784   2.137  -3.607
   69    H    PHE   9           H        PHE   9   4.146   1.020  -2.538
   70    HA   PHE   9           HA       PHE   9   4.753  -1.651  -1.439
   71   1HB   PHE   9          2HB       PHE   9   6.301   0.948  -1.384
   72   2HB   PHE   9          1HB       PHE   9   6.930  -0.589  -0.809
   73    HD1  PHE   9           HD2      PHE   9   6.013   1.377  -3.784
   74    HD2  PHE   9           HD1      PHE   9   7.459  -2.395  -2.414
   75    HE1  PHE   9           HE2      PHE   9   6.709   0.808  -6.067
   76    HE2  PHE   9           HE1      PHE   9   8.151  -2.956  -4.699
   77    HZ   PHE   9           HZ       PHE   9   7.778  -1.358  -6.529
   78    H    GLN  10           H        GLN  10   4.806  -2.178   0.658
   79    HA   GLN  10           HA       GLN  10   3.157  -0.894   2.508
   80   1HB   GLN  10          2HB       GLN  10   5.466  -2.816   3.052
   81   2HB   GLN  10          1HB       GLN  10   4.200  -2.443   4.199
   82   1HG   GLN  10          2HG       GLN  10   3.758  -3.763   1.470
   83   2HG   GLN  10          1HG       GLN  10   3.759  -4.602   3.011
   84   1HE2  GLN  10          2HE2      GLN  10   0.418  -2.766   1.780
   85   2HE2  GLN  10          1HE2      GLN  10   1.775  -2.982   0.787
   86    H    HIS  11           H        HIS  11   6.637  -1.067   2.308
   87    HA   HIS  11           HA       HIS  11   7.217   0.768   4.437
   88   1HB   HIS  11          2HB       HIS  11   8.758  -1.039   3.489
   89   2HB   HIS  11          1HB       HIS  11   9.041   0.016   2.112
   90    HD1  HIS  11           HD1      HIS  11  10.498   2.081   2.602
   91    HD2  HIS  11           HD2      HIS  11   9.778  -0.109   5.970
   92    HE1  HIS  11           HE1      HIS  11  12.007   2.972   4.342
   93    H    LEU  12           H        LEU  12   7.476   1.090   0.939
   94    HA   LEU  12           HA       LEU  12   7.655   4.051   1.159
   95   1HB   LEU  12          2HB       LEU  12   7.880   2.192  -1.269
   96   2HB   LEU  12          1HB       LEU  12   8.141   3.920  -1.303
   97    HG   LEU  12           HG       LEU  12   9.753   2.064   0.514
   98   1HD1  LEU  12          3HD1      LEU  12  10.408   3.008  -2.310
   99   2HD1  LEU  12          2HD1      LEU  12  11.542   2.210  -1.233
  100   3HD1  LEU  12          1HD1      LEU  12  10.126   1.348  -1.807
  101   1HD2  LEU  12          3HD2      LEU  12  10.094   4.942  -0.441
  102   2HD2  LEU  12          2HD2      LEU  12   9.908   4.384   1.213
  103   3HD2  LEU  12          1HD2      LEU  12  11.385   4.039   0.335
  104    H    ASP  13           H        ASP  13   5.543   3.784   2.125
  105    HA   ASP  13           HA       ASP  13   3.220   3.246   0.513
  106   1HB   ASP  13          2HB       ASP  13   3.611   3.508   3.200
  107   2HB   ASP  13          1HB       ASP  13   2.998   5.117   2.880
  108    H    ASP  14           H        ASP  14   3.242   4.320  -1.288
  109    HA   ASP  14           HA       ASP  14   3.696   7.213  -1.475
  110   1HB   ASP  14          2HB       ASP  14   3.285   6.653  -3.965
  111   2HB   ASP  14          1HB       ASP  14   4.692   5.919  -3.219
  112    H    CYS  15           H        CYS  15   1.071   5.298  -0.766
  113    HA   CYS  15           HA       CYS  15  -1.037   6.440  -2.275
  114   1HB   CYS  15          2HB       CYS  15  -1.272   5.403   0.534
  115   2HB   CYS  15          1HB       CYS  15  -2.472   5.374  -0.726
  116    H    CYS  16           H        CYS  16  -2.731   7.740  -1.582
  117    HA   CYS  16           HA       CYS  16  -1.876  10.253  -0.392
  118   1HB   CYS  16          2HB       CYS  16  -3.768   9.618  -2.240
  119   2HB   CYS  16          1HB       CYS  16  -4.788   9.593  -0.831
  120    H    SER  17           H        SER  17  -3.726   7.443   0.444
  121    HA   SER  17           HA       SER  17  -4.561   8.353   3.076
  122   1HB   SER  17          2HB       SER  17  -5.581   6.114   3.180
  123   2HB   SER  17          1HB       SER  17  -5.841   6.716   1.539
  124    HG   SER  17           HG       SER  17  -3.816   5.677   1.009
  125    H    ARG  18           H        ARG  18  -1.694   7.526   1.841
  126    HA   ARG  18           HA       ARG  18   0.304   6.606   2.540
  127   1HB   ARG  18          2HB       ARG  18   1.065   7.526   4.663
  128   2HB   ARG  18          1HB       ARG  18   0.079   8.724   3.862
  129   1HG   ARG  18          2HG       ARG  18  -1.699   8.514   5.394
  130   2HG   ARG  18          1HG       ARG  18  -1.228   6.902   5.907
  131   1HD   ARG  18          2HD       ARG  18   0.520   9.315   6.468
  132   2HD   ARG  18          1HD       ARG  18  -0.737   8.760   7.573
  133    HE   ARG  18           HE       ARG  18   1.252   6.755   6.667
  134   1HH1  ARG  18          1HH1      ARG  18   0.528   6.613  10.328
  135   2HH1  ARG  18          2HH1      ARG  18  -0.482   6.230   8.973
  136   1HH2  ARG  18          1HH2      ARG  18   2.799   8.428   8.369
  137   2HH2  ARG  18          2HH2      ARG  18   2.437   7.892   9.976
  138    H    LYS  19           H        LYS  19  -1.965   4.813   2.707
  139    HA   LYS  19           HA       LYS  19  -0.883   2.831   4.624
  140   1HB   LYS  19          2HB       LYS  19  -3.659   3.912   4.296
  141   2HB   LYS  19          1HB       LYS  19  -3.485   2.219   4.666
  142   1HG   LYS  19          2HG       LYS  19  -2.082   2.833   6.671
  143   2HG   LYS  19          1HG       LYS  19  -2.313   4.529   6.291
  144   1HD   LYS  19          2HD       LYS  19  -4.669   2.645   6.731
  145   2HD   LYS  19          1HD       LYS  19  -3.894   3.481   8.061
  146   1HE   LYS  19          2HE       LYS  19  -4.341   5.677   6.900
  147   2HE   LYS  19          1HE       LYS  19  -5.227   4.802   5.658
  148   1HZ   LYS  19          2HZ       LYS  19  -6.621   3.891   7.486
  149   2HZ   LYS  19          1HZ       LYS  19  -5.870   4.996   8.534
  150   3HZ   LYS  19          3HZ       LYS  19  -6.782   5.560   7.216
  151    H    CYS  20           H        CYS  20  -0.381   0.992   3.624
  152    HA   CYS  20           HA       CYS  20  -1.711   0.277   1.078
  153   1HB   CYS  20          2HB       CYS  20   1.171   0.061   2.000
  154   2HB   CYS  20          1HB       CYS  20   0.556  -0.838   0.648
  155    H    ASN  21           H        ASN  21  -2.813  -1.576   1.301
  156    HA   ASN  21           HA       ASN  21  -2.594  -3.148   3.747
  157   1HB   ASN  21          2HB       ASN  21  -4.585  -4.281   2.953
  158   2HB   ASN  21          1HB       ASN  21  -4.764  -2.572   2.599
  159   1HD2  ASN  21          2HD2      ASN  21  -4.356  -3.031  -0.927
  160   2HD2  ASN  21          1HD2      ASN  21  -4.046  -1.910   0.309
  161    H    ARG  22           H        ARG  22  -3.076  -5.570   3.279
  162    HA   ARG  22           HA       ARG  22  -0.673  -6.854   2.864
  163   1HB   ARG  22          2HB       ARG  22  -1.962  -8.914   3.107
  164   2HB   ARG  22          1HB       ARG  22  -2.565  -7.692   4.200
  165   1HG   ARG  22          2HG       ARG  22  -4.093  -7.316   1.823
  166   2HG   ARG  22          1HG       ARG  22  -3.940  -9.054   1.978
  167   1HD   ARG  22          2HD       ARG  22  -4.925  -7.199   4.186
  168   2HD   ARG  22          1HD       ARG  22  -5.958  -8.176   3.145
  169    HE   ARG  22           HE       ARG  22  -4.007  -9.876   4.355
  170   1HH1  ARG  22          2HH1      ARG  22  -6.830 -10.595   4.289
  171   2HH1  ARG  22          1HH1      ARG  22  -7.338 -10.424   5.936
  172   1HH2  ARG  22          1HH2      ARG  22  -4.555  -8.476   6.797
  173   2HH2  ARG  22          2HH2      ARG  22  -6.015  -9.192   7.394
  174    H    PHE  23           H        PHE  23  -3.012  -6.129   0.400
  175    HA   PHE  23           HA       PHE  23  -1.869  -8.069  -1.488
  176   1HB   PHE  23          2HB       PHE  23  -4.024  -5.933  -1.840
  177   2HB   PHE  23          1HB       PHE  23  -3.676  -7.245  -2.943
  178    HD1  PHE  23           HD1      PHE  23  -3.405  -9.621  -1.296
  179    HD2  PHE  23           HD2      PHE  23  -6.097  -6.350  -0.791
  180    HE1  PHE  23           HE1      PHE  23  -4.936 -11.065  -0.048
  181    HE2  PHE  23           HE2      PHE  23  -7.618  -7.803   0.458
  182    HZ   PHE  23           HZ       PHE  23  -7.046 -10.164   0.833
  183    H    ASN  24           H        ASN  24  -0.459  -5.710  -0.277
  184    HA   ASN  24           HA       ASN  24   1.010  -4.018  -0.847
  185   1HB   ASN  24          2HB       ASN  24   1.286  -5.730  -3.378
  186   2HB   ASN  24          1HB       ASN  24   2.493  -4.614  -2.749
  187   1HD2  ASN  24          2HD2      ASN  24   3.555  -6.788  -0.140
  188   2HD2  ASN  24          1HD2      ASN  24   3.537  -5.178  -0.680
  189    H    LYS  25           H        LYS  25  -1.610  -3.514  -1.355
  190    HA   LYS  25           HA       LYS  25  -1.539  -1.643  -3.668
  191   1HB   LYS  25          2HB       LYS  25  -3.601  -3.603  -2.676
  192   2HB   LYS  25          1HB       LYS  25  -4.178  -2.099  -3.353
  193   1HG   LYS  25          2HG       LYS  25  -2.986  -2.537  -5.458
  194   2HG   LYS  25          1HG       LYS  25  -2.177  -3.925  -4.757
  195   1HD   LYS  25          2HD       LYS  25  -4.268  -5.150  -4.566
  196   2HD   LYS  25          1HD       LYS  25  -5.203  -3.743  -5.045
  197   1HE   LYS  25          2HE       LYS  25  -4.053  -3.769  -7.275
  198   2HE   LYS  25          1HE       LYS  25  -3.180  -5.217  -6.789
  199   1HZ   LYS  25          2HZ       LYS  25  -6.125  -4.962  -6.954
  200   2HZ   LYS  25          1HZ       LYS  25  -5.129  -5.737  -8.091
  201   3HZ   LYS  25          3HZ       LYS  25  -5.267  -6.361  -6.518
  202    H    CYS  26           H        CYS  26  -3.162   0.200  -3.244
  203    HA   CYS  26           HA       CYS  26  -2.499   1.320  -0.641
  204   1HB   CYS  26          2HB       CYS  26  -3.992   2.291  -3.054
  205   2HB   CYS  26          1HB       CYS  26  -3.922   3.240  -1.597
  206    H    VAL  27           H        VAL  27  -4.253   2.606   0.429
  207    HA   VAL  27           HA       VAL  27  -6.673   0.912   0.903
  208    HB   VAL  27           HB       VAL  27  -4.943   2.494   2.860
  209   1HG1  VAL  27          3HG1      VAL  27  -7.616   1.101   3.287
  210   2HG1  VAL  27          2HG1      VAL  27  -6.511   1.430   4.612
  211   3HG1  VAL  27          1HG1      VAL  27  -7.188   2.758   3.690
  212   1HG2  VAL  27          2HG2      VAL  27  -4.079   0.229   2.139
  213   2HG2  VAL  27          1HG2      VAL  27  -4.493   0.261   3.843
  214   3HG2  VAL  27          3HG2      VAL  27  -5.584  -0.488   2.689
   
  No H/Q in entry =         214
  Start of MODEL   11
    1   1H    CYS   1          2H        CYS   1  -1.032  12.749  -5.259
    2   2H    CYS   1          1H        CYS   1   0.105  13.190  -4.076
    3   3H    CYS   1          3H        CYS   1   0.458  11.940  -5.172
    4    HA   CYS   1           HA       CYS   1  -0.110  11.005  -3.046
    5   1HB   CYS   1          2HB       CYS   1  -1.857  11.818  -1.808
    6   2HB   CYS   1          1HB       CYS   1  -1.782  13.182  -2.863
    7    H    ARG   2           H        ARG   2  -0.352   8.930  -3.628
    8    HA   ARG   2           HA       ARG   2  -1.577   8.198  -6.168
    9   1HB   ARG   2          2HB       ARG   2   0.504   7.167  -5.345
   10   2HB   ARG   2          1HB       ARG   2  -0.327   6.494  -3.968
   11   1HG   ARG   2          2HG       ARG   2  -1.835   5.242  -5.642
   12   2HG   ARG   2          1HG       ARG   2  -0.727   5.778  -6.894
   13   1HD   ARG   2          2HD       ARG   2   0.064   4.172  -4.420
   14   2HD   ARG   2          1HD       ARG   2  -0.099   3.494  -6.025
   15    HE   ARG   2           HE       ARG   2   1.982   5.473  -5.226
   16   1HH1  ARG   2          2HH1      ARG   2   1.787   5.873  -7.980
   17   2HH1  ARG   2          1HH1      ARG   2   2.698   4.596  -8.713
   18   1HH2  ARG   2          1HH2      ARG   2   2.643   2.626  -5.814
   19   2HH2  ARG   2          2HH2      ARG   2   3.195   2.706  -7.454
   20    H    ILE   3           H        ILE   3  -3.471   7.214  -6.533
   21    HA   ILE   3           HA       ILE   3  -5.608   7.457  -4.736
   22    HB   ILE   3           HB       ILE   3  -6.885   6.249  -6.465
   23   1HG1  ILE   3          2HG1      ILE   3  -4.138   5.464  -7.550
   24   2HG1  ILE   3          1HG1      ILE   3  -5.385   4.394  -6.938
   25   1HG2  ILE   3          2HG2      ILE   3  -5.967   8.653  -6.793
   26   2HG2  ILE   3          1HG2      ILE   3  -4.806   7.937  -7.896
   27   3HG2  ILE   3          3HG2      ILE   3  -6.526   7.820  -8.230
   28   1HD1  ILE   3          2HD1      ILE   3  -6.907   5.276  -8.808
   29   2HD1  ILE   3          1HD1      ILE   3  -5.451   5.965  -9.515
   30   3HD1  ILE   3          3HD1      ILE   3  -5.582   4.231  -9.288
   31    HA   HYP   4           HA       HYP   4  -5.790   3.731  -2.262
   32   1HB   HYP   4          1HB       HYP   4  -7.908   3.586  -1.444
   33   2HB   HYP   4          2HB       HYP   4  -8.608   3.316  -3.028
   34   1HD   HYP   4          1HD1      HYP   4  -6.965   7.024  -3.157
   35   2HD   HYP   4          2HD1      HYP   4  -7.850   6.296  -4.507
   36    HOD  HYP   4           HD2      HYP   4  -8.274   6.881  -1.304
   37    HG   HYP   4           HG       HYP   4  -9.366   5.562  -2.802
   38    H    ASN   5           H        ASN   5  -6.287   1.488  -2.362
   39    HA   ASN   5           HA       ASN   5  -5.843  -0.592  -3.246
   40   1HB   ASN   5          2HB       ASN   5  -7.538  -1.367  -4.759
   41   2HB   ASN   5          1HB       ASN   5  -8.286  -0.121  -3.784
   42   1HD2  ASN   5          2HD2      ASN   5  -7.719   0.522  -7.790
   43   2HD2  ASN   5          1HD2      ASN   5  -6.871  -0.726  -7.011
   44    H    GLN   6           H        GLN   6  -4.347   1.814  -4.641
   45    HA   GLN   6           HA       GLN   6  -3.595   0.552  -7.180
   46   1HB   GLN   6          2HB       GLN   6  -3.797   3.129  -6.480
   47   2HB   GLN   6          1HB       GLN   6  -2.133   2.917  -6.013
   48   1HG   GLN   6          2HG       GLN   6  -2.837   1.815  -8.727
   49   2HG   GLN   6          1HG       GLN   6  -2.994   3.552  -8.572
   50   1HE2  GLN   6          2HE2      GLN   6   0.447   4.089  -8.788
   51   2HE2  GLN   6          1HE2      GLN   6  -1.124   4.722  -8.874
   52    H    LYS   7           H        LYS   7  -1.695  -0.368  -7.620
   53    HA   LYS   7           HA       LYS   7  -0.382  -1.917  -5.738
   54   1HB   LYS   7          2HB       LYS   7   0.078  -1.119  -8.552
   55   2HB   LYS   7          1HB       LYS   7   1.542  -1.622  -7.740
   56   1HG   LYS   7          2HG       LYS   7  -1.001  -3.273  -7.555
   57   2HG   LYS   7          1HG       LYS   7   0.096  -3.444  -8.909
   58   1HD   LYS   7          2HD       LYS   7   1.822  -4.345  -7.620
   59   2HD   LYS   7          1HD       LYS   7   1.305  -3.559  -6.142
   60   1HE   LYS   7          2HE       LYS   7  -0.345  -5.756  -7.450
   61   2HE   LYS   7          1HE       LYS   7   0.912  -6.093  -6.268
   62   1HZ   LYS   7          2HZ       LYS   7  -1.096  -4.075  -5.610
   63   2HZ   LYS   7          1HZ       LYS   7  -1.543  -5.713  -5.547
   64   3HZ   LYS   7          3HZ       LYS   7  -0.254  -5.145  -4.599
   65    H    CYS   8           H        CYS   8   0.526  -1.201  -3.986
   66    HA   CYS   8           HA       CYS   8   2.914   0.553  -4.151
   67   1HB   CYS   8          2HB       CYS   8   2.151   1.835  -2.230
   68   2HB   CYS   8          1HB       CYS   8   1.024   1.967  -3.545
   69    H    PHE   9           H        PHE   9   3.497   0.601  -1.434
   70    HA   PHE   9           HA       PHE   9   3.601  -2.270  -0.628
   71   1HB   PHE   9          2HB       PHE   9   6.014  -0.419  -0.618
   72   2HB   PHE   9          1HB       PHE   9   6.002  -2.113  -0.167
   73    HD1  PHE   9           HD2      PHE   9   5.698   0.243  -3.012
   74    HD2  PHE   9           HD1      PHE   9   5.952  -3.852  -1.864
   75    HE1  PHE   9           HE2      PHE   9   6.095  -0.388  -5.345
   76    HE2  PHE   9           HE1      PHE   9   6.346  -4.481  -4.201
   77    HZ   PHE   9           HZ       PHE   9   6.420  -2.750  -5.947
   78    H    GLN  10           H        GLN  10   3.924  -2.716   1.468
   79    HA   GLN  10           HA       GLN  10   2.665  -1.114   3.373
   80   1HB   GLN  10          2HB       GLN  10   4.530  -3.504   3.624
   81   2HB   GLN  10          1HB       GLN  10   3.748  -2.791   5.019
   82   1HG   GLN  10          2HG       GLN  10   2.248  -4.520   4.415
   83   2HG   GLN  10          1HG       GLN  10   1.512  -3.109   3.683
   84   1HE2  GLN  10          2HE2      GLN  10   2.013  -4.246   0.367
   85   2HE2  GLN  10          1HE2      GLN  10   1.533  -2.947   1.350
   86    H    HIS  11           H        HIS  11   5.856  -1.141   2.226
   87    HA   HIS  11           HA       HIS  11   6.958   0.450   4.463
   88   1HB   HIS  11          2HB       HIS  11   8.135  -1.604   3.301
   89   2HB   HIS  11          1HB       HIS  11   8.501  -0.472   2.009
   90    HD1  HIS  11           HD1      HIS  11  10.022   1.570   2.767
   91    HD2  HIS  11           HD2      HIS  11   9.566  -1.298   5.626
   92    HE1  HIS  11           HE1      HIS  11  11.758   2.013   4.466
   93    H    LEU  12           H        LEU  12   6.681   0.490   0.958
   94    HA   LEU  12           HA       LEU  12   7.201   3.411   0.854
   95   1HB   LEU  12          2HB       LEU  12   6.824   1.371  -1.391
   96   2HB   LEU  12          1HB       LEU  12   7.259   3.047  -1.621
   97    HG   LEU  12           HG       LEU  12   8.957   1.182   0.097
   98   1HD1  LEU  12          2HD1      LEU  12   9.249   1.786  -2.880
   99   2HD1  LEU  12          1HD1      LEU  12  10.419   0.915  -1.901
  100   3HD1  LEU  12          3HD1      LEU  12   8.832   0.226  -2.186
  101   1HD2  LEU  12          2HD2      LEU  12   9.455   3.866  -1.270
  102   2HD2  LEU  12          1HD2      LEU  12   9.407   3.560   0.459
  103   3HD2  LEU  12          3HD2      LEU  12  10.717   2.913  -0.508
  104    H    ASP  13           H        ASP  13   5.169   3.453   2.122
  105    HA   ASP  13           HA       ASP  13   2.632   3.133   0.711
  106   1HB   ASP  13          2HB       ASP  13   3.132   4.679   3.302
  107   2HB   ASP  13          1HB       ASP  13   1.627   3.963   2.746
  108    H    ASP  14           H        ASP  14   3.073   4.324  -1.091
  109    HA   ASP  14           HA       ASP  14   3.493   7.238  -0.970
  110   1HB   ASP  14          2HB       ASP  14   3.270   6.795  -3.598
  111   2HB   ASP  14          1HB       ASP  14   4.729   6.340  -2.744
  112    H    CYS  15           H        CYS  15   0.927   5.387  -0.458
  113    HA   CYS  15           HA       CYS  15  -1.116   6.395  -2.171
  114   1HB   CYS  15          2HB       CYS  15  -1.510   5.397   0.631
  115   2HB   CYS  15          1HB       CYS  15  -2.596   5.286  -0.723
  116    H    CYS  16           H        CYS  16  -2.898   7.645  -1.552
  117    HA   CYS  16           HA       CYS  16  -2.197  10.233  -0.513
  118   1HB   CYS  16          2HB       CYS  16  -4.134   9.320  -2.183
  119   2HB   CYS  16          1HB       CYS  16  -5.066   9.317  -0.714
  120    H    SER  17           H        SER  17  -3.762   7.365   0.642
  121    HA   SER  17           HA       SER  17  -4.436   8.393   3.286
  122   1HB   SER  17          2HB       SER  17  -5.245   6.042   3.598
  123   2HB   SER  17          1HB       SER  17  -5.836   6.661   2.053
  124    HG   SER  17           HG       SER  17  -4.253   5.580   1.008
  125    H    ARG  18           H        ARG  18  -1.799   7.065   1.678
  126    HA   ARG  18           HA       ARG  18   0.326   6.396   2.260
  127   1HB   ARG  18          2HB       ARG  18  -0.278   8.540   3.902
  128   2HB   ARG  18          1HB       ARG  18   0.087   7.329   5.116
  129   1HG   ARG  18          2HG       ARG  18   2.275   6.877   3.926
  130   2HG   ARG  18          1HG       ARG  18   1.881   8.158   2.792
  131   1HD   ARG  18          2HD       ARG  18   3.278   9.213   4.425
  132   2HD   ARG  18          1HD       ARG  18   1.651   9.706   4.873
  133    HE   ARG  18           HE       ARG  18   1.696   8.012   6.662
  134   1HH1  ARG  18          1HH2      ARG  18   3.939   6.420   5.310
  135   2HH1  ARG  18          2HH2      ARG  18   5.260   6.741   6.384
  136   1HH2  ARG  18          2HH1      ARG  18   3.635   9.439   7.912
  137   2HH2  ARG  18          1HH1      ARG  18   5.085   8.491   7.892
  138    H    LYS  19           H        LYS  19  -1.946   4.669   2.643
  139    HA   LYS  19           HA       LYS  19  -0.816   2.720   4.574
  140   1HB   LYS  19          2HB       LYS  19  -3.612   3.768   4.222
  141   2HB   LYS  19          1HB       LYS  19  -3.400   2.104   4.676
  142   1HG   LYS  19          2HG       LYS  19  -1.702   3.934   6.289
  143   2HG   LYS  19          1HG       LYS  19  -3.399   4.351   6.387
  144   1HD   LYS  19          2HD       LYS  19  -3.897   1.918   6.952
  145   2HD   LYS  19          1HD       LYS  19  -2.167   1.636   7.015
  146   1HE   LYS  19          2HE       LYS  19  -2.901   2.071   9.285
  147   2HE   LYS  19          1HE       LYS  19  -2.028   3.505   8.763
  148   1HZ   LYS  19          2HZ       LYS  19  -4.961   3.244   8.509
  149   2HZ   LYS  19          1HZ       LYS  19  -4.209   3.885   9.890
  150   3HZ   LYS  19          3HZ       LYS  19  -4.020   4.651   8.387
  151    H    CYS  20           H        CYS  20  -0.303   0.869   3.586
  152    HA   CYS  20           HA       CYS  20  -1.714   0.084   1.100
  153   1HB   CYS  20          2HB       CYS  20   1.195  -0.145   1.933
  154   2HB   CYS  20          1HB       CYS  20   0.519  -0.969   0.567
  155    H    ASN  21           H        ASN  21  -2.835  -1.704   1.452
  156    HA   ASN  21           HA       ASN  21  -2.620  -3.246   3.876
  157   1HB   ASN  21          2HB       ASN  21  -4.441  -4.597   2.896
  158   2HB   ASN  21          1HB       ASN  21  -4.747  -2.889   2.664
  159   1HD2  ASN  21          2HD2      ASN  21  -5.514  -4.134  -0.601
  160   2HD2  ASN  21          1HD2      ASN  21  -6.206  -3.885   0.928
  161    H    ARG  22           H        ARG  22  -2.906  -5.784   3.403
  162    HA   ARG  22           HA       ARG  22  -0.311  -6.759   2.977
  163   1HB   ARG  22          2HB       ARG  22  -1.314  -8.947   3.413
  164   2HB   ARG  22          1HB       ARG  22  -1.947  -7.758   4.527
  165   1HG   ARG  22          2HG       ARG  22  -3.977  -7.506   3.016
  166   2HG   ARG  22          1HG       ARG  22  -3.340  -8.800   2.017
  167   1HD   ARG  22          2HD       ARG  22  -4.919  -9.815   3.534
  168   2HD   ARG  22          1HD       ARG  22  -3.321 -10.274   4.108
  169    HE   ARG  22           HE       ARG  22  -3.534  -8.393   5.780
  170   1HH1  ARG  22          2HH1      ARG  22  -5.928  -7.061   4.773
  171   2HH1  ARG  22          1HH1      ARG  22  -7.202  -7.728   5.739
  172   1HH2  ARG  22          1HH2      ARG  22  -5.254 -10.447   6.783
  173   2HH2  ARG  22          2HH2      ARG  22  -6.809  -9.697   6.909
  174    H    PHE  23           H        PHE  23  -2.857  -6.186   0.776
  175    HA   PHE  23           HA       PHE  23  -1.951  -8.122  -1.233
  176   1HB   PHE  23          2HB       PHE  23  -4.134  -5.993  -1.258
  177   2HB   PHE  23          1HB       PHE  23  -3.879  -7.196  -2.499
  178    HD1  PHE  23           HD2      PHE  23  -4.074  -9.671  -1.872
  179    HD2  PHE  23           HD1      PHE  23  -5.352  -6.549   0.734
  180    HE1  PHE  23           HE2      PHE  23  -5.427 -11.275  -0.607
  181    HE2  PHE  23           HE1      PHE  23  -6.702  -8.158   1.995
  182    HZ   PHE  23           HZ       PHE  23  -6.744 -10.524   1.329
  183    H    ASN  24           H        ASN  24  -0.483  -5.614  -0.191
  184    HA   ASN  24           HA       ASN  24   0.842  -3.894  -1.002
  185   1HB   ASN  24          2HB       ASN  24   1.063  -6.195  -2.964
  186   2HB   ASN  24          1HB       ASN  24   1.830  -4.681  -3.430
  187   1HD2  ASN  24          2HD2      ASN  24   3.167  -6.589  -0.043
  188   2HD2  ASN  24          1HD2      ASN  24   1.558  -6.813  -0.537
  189    H    LYS  25           H        LYS  25  -1.825  -3.563  -1.324
  190    HA   LYS  25           HA       LYS  25  -2.028  -1.789  -3.707
  191   1HB   LYS  25          2HB       LYS  25  -3.926  -3.800  -2.498
  192   2HB   LYS  25          1HB       LYS  25  -4.615  -2.327  -3.129
  193   1HG   LYS  25          2HG       LYS  25  -3.182  -2.863  -5.279
  194   2HG   LYS  25          1HG       LYS  25  -3.051  -4.473  -4.598
  195   1HD   LYS  25          2HD       LYS  25  -5.327  -4.939  -4.839
  196   2HD   LYS  25          1HD       LYS  25  -5.808  -3.259  -4.755
  197   1HE   LYS  25          2HE       LYS  25  -4.272  -3.296  -7.092
  198   2HE   LYS  25          1HE       LYS  25  -5.048  -4.871  -7.113
  199   1HZ   LYS  25          1HZ       LYS  25  -6.461  -2.296  -6.733
  200   2HZ   LYS  25          3HZ       LYS  25  -6.350  -3.146  -8.199
  201   3HZ   LYS  25          2HZ       LYS  25  -7.173  -3.831  -6.880
  202    H    CYS  26           H        CYS  26  -3.136   0.223  -3.228
  203    HA   CYS  26           HA       CYS  26  -2.595   1.163  -0.557
  204   1HB   CYS  26          2HB       CYS  26  -3.976   2.351  -2.952
  205   2HB   CYS  26          1HB       CYS  26  -3.852   3.205  -1.450
  206    H    VAL  27           H        VAL  27  -4.285   2.446   0.560
  207    HA   VAL  27           HA       VAL  27  -6.844   0.898   0.770
  208    HB   VAL  27           HB       VAL  27  -5.250   2.237   3.014
  209   1HG1  VAL  27          3HG1      VAL  27  -7.805   0.570   2.995
  210   2HG1  VAL  27          2HG1      VAL  27  -6.856   0.828   4.451
  211   3HG1  VAL  27          1HG1      VAL  27  -7.596   2.193   3.637
  212   1HG2  VAL  27          2HG2      VAL  27  -5.585  -0.719   2.294
  213   2HG2  VAL  27          1HG2      VAL  27  -4.100   0.195   2.126
  214   3HG2  VAL  27          3HG2      VAL  27  -4.751  -0.122   3.720
   
  No H/Q in entry =         214
  Start of MODEL   12
    1   1H    CYS   1          1H        CYS   1   0.652  11.306  -5.183
    2   2H    CYS   1          3H        CYS   1  -0.528  12.522  -5.074
    3   3H    CYS   1          2H        CYS   1   0.809  12.542  -4.027
    4    HA   CYS   1           HA       CYS   1   0.071  10.508  -2.983
    5   1HB   CYS   1          2HB       CYS   1  -1.314  11.724  -1.615
    6   2HB   CYS   1          1HB       CYS   1  -0.973  13.040  -2.678
    7    H    ARG   2           H        ARG   2  -0.487   8.620  -3.812
    8    HA   ARG   2           HA       ARG   2  -2.221   8.321  -6.120
    9   1HB   ARG   2          2HB       ARG   2  -0.683   6.379  -4.372
   10   2HB   ARG   2          1HB       ARG   2  -1.771   5.797  -5.611
   11   1HG   ARG   2          2HG       ARG   2   0.474   7.785  -6.165
   12   2HG   ARG   2          1HG       ARG   2   0.657   6.053  -6.342
   13   1HD   ARG   2          2HD       ARG   2  -1.527   6.258  -7.863
   14   2HD   ARG   2          1HD       ARG   2  -1.027   7.939  -7.991
   15    HE   ARG   2           HE       ARG   2   1.160   7.114  -8.876
   16   1HH1  ARG   2          2HH1      ARG   2   1.468   4.407  -8.478
   17   2HH1  ARG   2          1HH1      ARG   2   0.730   3.613  -9.830
   18   1HH2  ARG   2          1HH2      ARG   2  -1.125   6.442 -10.736
   19   2HH2  ARG   2          2HH2      ARG   2  -0.776   4.795 -11.141
   20    H    ILE   3           H        ILE   3  -3.919   6.821  -6.306
   21    HA   ILE   3           HA       ILE   3  -6.024   7.280  -4.412
   22    HB   ILE   3           HB       ILE   3  -7.322   5.853  -6.039
   23   1HG1  ILE   3          2HG1      ILE   3  -4.686   5.628  -7.571
   24   2HG1  ILE   3          1HG1      ILE   3  -5.331   4.334  -6.585
   25   1HG2  ILE   3          3HG2      ILE   3  -6.917   8.331  -6.401
   26   2HG2  ILE   3          2HG2      ILE   3  -5.557   7.915  -7.430
   27   3HG2  ILE   3          1HG2      ILE   3  -7.185   7.443  -7.888
   28   1HD1  ILE   3          3HD1      ILE   3  -7.464   4.474  -7.979
   29   2HD1  ILE   3          2HD1      ILE   3  -6.561   5.516  -9.075
   30   3HD1  ILE   3          1HD1      ILE   3  -6.034   3.864  -8.799
   31    HA   HYP   4           HA       HYP   4  -6.082   3.293  -2.176
   32   1HB   HYP   4          1HB       HYP   4  -8.205   3.045  -1.361
   33   2HB   HYP   4          2HB       HYP   4  -8.901   2.951  -2.963
   34   1HD   HYP   4          1HD1      HYP   4  -7.287   6.671  -2.587
   35   2HD   HYP   4          2HD1      HYP   4  -8.162   6.153  -4.037
   36    HOD  HYP   4           HD2      HYP   4  -8.630   6.320  -0.855
   37    HG   HYP   4           HG       HYP   4  -9.698   5.138  -2.534
   38    H    ASN   5           H        ASN   5  -6.071   1.180  -2.693
   39    HA   ASN   5           HA       ASN   5  -5.929  -0.783  -3.870
   40   1HB   ASN   5          2HB       ASN   5  -7.533  -1.223  -5.439
   41   2HB   ASN   5          1HB       ASN   5  -8.168   0.332  -4.986
   42   1HD2  ASN   5          2HD2      ASN   5  -6.427   1.543  -8.238
   43   2HD2  ASN   5          1HD2      ASN   5  -5.893   1.752  -6.644
   44    H    GLN   6           H        GLN   6  -4.522   2.073  -4.948
   45    HA   GLN   6           HA       GLN   6  -3.171   1.238  -7.304
   46   1HB   GLN   6          2HB       GLN   6  -3.305   3.617  -6.422
   47   2HB   GLN   6          1HB       GLN   6  -2.160   3.184  -5.178
   48   1HG   GLN   6          2HG       GLN   6  -0.877   4.192  -6.950
   49   2HG   GLN   6          1HG       GLN   6  -0.542   2.474  -7.042
   50   1HE2  GLN   6          2HE2      GLN   6  -3.026   4.117  -9.891
   51   2HE2  GLN   6          1HE2      GLN   6  -2.994   4.792  -8.334
   52    H    LYS   7           H        LYS   7  -1.665  -0.253  -7.576
   53    HA   LYS   7           HA       LYS   7  -0.651  -1.942  -5.588
   54   1HB   LYS   7          2HB       LYS   7  -0.636  -2.192  -8.180
   55   2HB   LYS   7          1HB       LYS   7   0.889  -1.340  -8.151
   56   1HG   LYS   7          2HG       LYS   7   0.536  -3.679  -6.259
   57   2HG   LYS   7          1HG       LYS   7   0.724  -4.040  -7.957
   58   1HD   LYS   7          2HD       LYS   7   2.694  -2.093  -6.741
   59   2HD   LYS   7          1HD       LYS   7   2.844  -3.777  -6.297
   60   1HE   LYS   7          2HE       LYS   7   2.598  -2.977  -9.216
   61   2HE   LYS   7          1HE       LYS   7   4.151  -2.958  -8.395
   62   1HZ   LYS   7          2HZ       LYS   7   2.464  -5.338  -8.165
   63   2HZ   LYS   7          1HZ       LYS   7   3.323  -5.074  -9.606
   64   3HZ   LYS   7          3HZ       LYS   7   4.156  -5.199  -8.130
   65    H    CYS   8           H        CYS   8   0.310  -1.170  -3.875
   66    HA   CYS   8           HA       CYS   8   2.903   0.255  -4.149
   67   1HB   CYS   8          2HB       CYS   8   2.283   1.811  -2.400
   68   2HB   CYS   8          1HB       CYS   8   1.161   1.911  -3.732
   69    H    PHE   9           H        PHE   9   4.385  -0.244  -2.615
   70    HA   PHE   9           HA       PHE   9   3.785  -2.636  -0.984
   71   1HB   PHE   9          2HB       PHE   9   6.219  -1.356  -2.135
   72   2HB   PHE   9          1HB       PHE   9   6.462  -2.042  -0.534
   73    HD1  PHE   9           HD2      PHE   9   4.742  -2.932  -3.763
   74    HD2  PHE   9           HD1      PHE   9   7.033  -4.311  -0.442
   75    HE1  PHE   9           HE2      PHE   9   4.817  -5.179  -4.745
   76    HE2  PHE   9           HE1      PHE   9   7.105  -6.556  -1.430
   77    HZ   PHE   9           HZ       PHE   9   5.998  -6.994  -3.580
   78    H    GLN  10           H        GLN  10   4.331  -2.773   1.178
   79    HA   GLN  10           HA       GLN  10   3.254  -0.870   2.864
   80   1HB   GLN  10          2HB       GLN  10   5.270  -3.091   3.348
   81   2HB   GLN  10          1HB       GLN  10   4.630  -2.141   4.672
   82   1HG   GLN  10          2HG       GLN  10   3.229  -4.109   4.501
   83   2HG   GLN  10          1HG       GLN  10   2.273  -2.771   3.890
   84   1HE2  GLN  10          2HE2      GLN  10   1.897  -4.218   0.710
   85   2HE2  GLN  10          1HE2      GLN  10   1.437  -2.998   1.797
   86    H    HIS  11           H        HIS  11   6.544  -1.219   1.787
   87    HA   HIS  11           HA       HIS  11   7.572   0.950   3.491
   88   1HB   HIS  11          2HB       HIS  11   8.826  -0.817   1.347
   89   2HB   HIS  11          1HB       HIS  11   9.716   0.462   2.158
   90    HD1  HIS  11           HD1      HIS  11  11.141  -1.604   3.088
   91    HD2  HIS  11           HD2      HIS  11   7.352  -1.402   4.601
   92    HE1  HIS  11           HE1      HIS  11  11.112  -3.041   5.092
   93    H    LEU  12           H        LEU  12   6.956   0.333   0.088
   94    HA   LEU  12           HA       LEU  12   7.511   3.156  -0.639
   95   1HB   LEU  12          2HB       LEU  12   6.705   0.781  -2.386
   96   2HB   LEU  12          1HB       LEU  12   7.215   2.350  -2.962
   97    HG   LEU  12           HG       LEU  12   9.345   1.725  -1.299
   98   1HD1  LEU  12          2HD1      LEU  12   8.408  -0.572  -0.880
   99   2HD1  LEU  12          1HD1      LEU  12   8.482  -0.896  -2.604
  100   3HD1  LEU  12          3HD1      LEU  12   9.959  -0.627  -1.693
  101   1HD2  LEU  12          3HD2      LEU  12   9.504   2.537  -3.641
  102   2HD2  LEU  12          2HD2      LEU  12  10.582   1.180  -3.366
  103   3HD2  LEU  12          1HD2      LEU  12   9.071   0.940  -4.231
  104    H    ASP  13           H        ASP  13   5.584   3.314   1.002
  105    HA   ASP  13           HA       ASP  13   2.926   2.963  -0.115
  106   1HB   ASP  13          2HB       ASP  13   3.761   3.056   2.416
  107   2HB   ASP  13          1HB       ASP  13   3.509   4.780   2.253
  108    H    ASP  14           H        ASP  14   2.845   4.070  -2.000
  109    HA   ASP  14           HA       ASP  14   3.460   6.941  -2.136
  110   1HB   ASP  14          2HB       ASP  14   2.700   6.514  -4.579
  111   2HB   ASP  14          1HB       ASP  14   4.172   5.727  -4.055
  112    H    CYS  15           H        CYS  15   0.876   5.198  -1.089
  113    HA   CYS  15           HA       CYS  15  -1.357   6.424  -2.333
  114   1HB   CYS  15          2HB       CYS  15  -1.344   5.446   0.483
  115   2HB   CYS  15          1HB       CYS  15  -2.622   5.328  -0.702
  116    H    CYS  16           H        CYS  16  -2.908   7.756  -1.452
  117    HA   CYS  16           HA       CYS  16  -1.840  10.212  -0.274
  118   1HB   CYS  16          2HB       CYS  16  -3.848   9.738  -2.050
  119   2HB   CYS  16          1HB       CYS  16  -4.801   9.709  -0.594
  120    H    SER  17           H        SER  17  -3.760   7.453   0.533
  121    HA   SER  17           HA       SER  17  -4.489   8.254   3.223
  122   1HB   SER  17          2HB       SER  17  -5.455   5.966   3.288
  123   2HB   SER  17          1HB       SER  17  -5.852   6.683   1.721
  124    HG   SER  17           HG       SER  17  -4.695   4.488   1.927
  125    H    ARG  18           H        ARG  18  -1.650   7.488   1.895
  126    HA   ARG  18           HA       ARG  18   0.362   6.543   2.516
  127   1HB   ARG  18          2HB       ARG  18   1.149   7.345   4.706
  128   2HB   ARG  18          1HB       ARG  18   0.238   8.594   3.893
  129   1HG   ARG  18          2HG       ARG  18  -1.700   8.228   5.328
  130   2HG   ARG  18          1HG       ARG  18  -0.975   6.799   6.045
  131   1HD   ARG  18          2HD       ARG  18  -0.289   8.263   7.673
  132   2HD   ARG  18          1HD       ARG  18   0.975   8.723   6.542
  133    HE   ARG  18           HE       ARG  18  -1.410  10.288   7.209
  134   1HH1  ARG  18          1HH2      ARG  18  -1.551  10.296   4.320
  135   2HH1  ARG  18          2HH2      ARG  18  -0.467  11.562   3.849
  136   1HH2  ARG  18          2HH1      ARG  18   1.148  11.608   6.960
  137   2HH2  ARG  18          1HH1      ARG  18   1.104  12.325   5.383
  138    H    LYS  19           H        LYS  19  -1.884   4.718   2.654
  139    HA   LYS  19           HA       LYS  19  -0.762   2.691   4.497
  140   1HB   LYS  19          2HB       LYS  19  -3.542   3.785   4.285
  141   2HB   LYS  19          1HB       LYS  19  -3.371   2.072   4.557
  142   1HG   LYS  19          2HG       LYS  19  -2.124   2.431   6.609
  143   2HG   LYS  19          1HG       LYS  19  -1.899   4.135   6.247
  144   1HD   LYS  19          2HD       LYS  19  -4.250   4.616   6.570
  145   2HD   LYS  19          1HD       LYS  19  -4.654   2.911   6.659
  146   1HE   LYS  19          2HE       LYS  19  -4.596   3.777   8.935
  147   2HE   LYS  19          1HE       LYS  19  -3.183   2.751   8.734
  148   1HZ   LYS  19          3HZ       LYS  19  -1.972   4.857   8.121
  149   2HZ   LYS  19          2HZ       LYS  19  -3.318   5.699   8.723
  150   3HZ   LYS  19          1HZ       LYS  19  -2.424   4.683   9.749
  151    H    CYS  20           H        CYS  20  -0.250   0.910   3.463
  152    HA   CYS  20           HA       CYS  20  -1.612   0.179   0.934
  153   1HB   CYS  20          2HB       CYS  20   1.279  -0.023   1.830
  154   2HB   CYS  20          1HB       CYS  20   0.662  -0.864   0.445
  155    H    ASN  21           H        ASN  21  -2.864  -1.493   1.431
  156    HA   ASN  21           HA       ASN  21  -2.685  -3.084   3.773
  157   1HB   ASN  21          2HB       ASN  21  -4.504  -4.396   2.759
  158   2HB   ASN  21          1HB       ASN  21  -4.761  -2.687   2.489
  159   1HD2  ASN  21          2HD2      ASN  21  -5.469  -3.975  -0.768
  160   2HD2  ASN  21          1HD2      ASN  21  -6.191  -3.674   0.737
  161    H    ARG  22           H        ARG  22  -3.040  -5.567   3.367
  162    HA   ARG  22           HA       ARG  22  -0.496  -6.694   3.075
  163   1HB   ARG  22          2HB       ARG  22  -1.752  -8.861   3.371
  164   2HB   ARG  22          1HB       ARG  22  -2.066  -7.658   4.594
  165   1HG   ARG  22          2HG       ARG  22  -4.286  -7.788   4.163
  166   2HG   ARG  22          1HG       ARG  22  -4.019  -7.175   2.547
  167   1HD   ARG  22          2HD       ARG  22  -5.190  -9.342   2.486
  168   2HD   ARG  22          1HD       ARG  22  -3.605  -9.487   1.725
  169    HE   ARG  22           HE       ARG  22  -3.437 -10.148   4.523
  170   1HH1  ARG  22          1HH2      ARG  22  -2.030 -11.777   2.628
  171   2HH1  ARG  22          2HH2      ARG  22  -2.984 -13.218   2.495
  172   1HH2  ARG  22          2HH1      ARG  22  -5.819 -11.704   3.893
  173   2HH2  ARG  22          1HH1      ARG  22  -5.187 -13.175   3.231
  174    H    PHE  23           H        PHE  23  -2.908  -6.065   0.732
  175    HA   PHE  23           HA       PHE  23  -1.980  -8.108  -1.169
  176   1HB   PHE  23          2HB       PHE  23  -4.069  -5.891  -1.324
  177   2HB   PHE  23          1HB       PHE  23  -3.746  -7.022  -2.610
  178    HD1  PHE  23           HD1      PHE  23  -3.738  -9.622  -1.750
  179    HD2  PHE  23           HD2      PHE  23  -5.872  -6.411   0.069
  180    HE1  PHE  23           HE1      PHE  23  -5.298 -11.223  -0.747
  181    HE2  PHE  23           HE2      PHE  23  -7.428  -8.018   1.069
  182    HZ   PHE  23           HZ       PHE  23  -7.146 -10.427   0.663
  183    H    ASN  24           H        ASN  24  -0.554  -5.549  -0.076
  184    HA   ASN  24           HA       ASN  24   0.900  -3.912  -0.835
  185   1HB   ASN  24          2HB       ASN  24   1.166  -6.048  -3.027
  186   2HB   ASN  24          1HB       ASN  24   2.241  -4.662  -2.904
  187   1HD2  ASN  24          2HD2      ASN  24   4.117  -6.019  -0.267
  188   2HD2  ASN  24          1HD2      ASN  24   3.922  -4.764  -1.392
  189    H    LYS  25           H        LYS  25  -1.678  -3.432  -1.253
  190    HA   LYS  25           HA       LYS  25  -1.754  -1.752  -3.697
  191   1HB   LYS  25          2HB       LYS  25  -3.726  -3.764  -2.611
  192   2HB   LYS  25          1HB       LYS  25  -4.367  -2.296  -3.297
  193   1HG   LYS  25          2HG       LYS  25  -2.850  -2.814  -5.356
  194   2HG   LYS  25          1HG       LYS  25  -2.625  -4.401  -4.644
  195   1HD   LYS  25          2HD       LYS  25  -4.969  -4.919  -4.806
  196   2HD   LYS  25          1HD       LYS  25  -5.398  -3.250  -5.142
  197   1HE   LYS  25          2HE       LYS  25  -4.111  -3.382  -7.297
  198   2HE   LYS  25          1HE       LYS  25  -3.797  -5.083  -6.972
  199   1HZ   LYS  25          1HZ       LYS  25  -6.233  -5.391  -6.846
  200   2HZ   LYS  25          3HZ       LYS  25  -6.424  -3.791  -7.380
  201   3HZ   LYS  25          2HZ       LYS  25  -5.663  -4.935  -8.379
  202    H    CYS  26           H        CYS  26  -3.048   0.205  -3.330
  203    HA   CYS  26           HA       CYS  26  -2.596   1.256  -0.691
  204   1HB   CYS  26          2HB       CYS  26  -4.004   2.288  -3.126
  205   2HB   CYS  26          1HB       CYS  26  -3.947   3.201  -1.654
  206    H    VAL  27           H        VAL  27  -4.245   2.468   0.395
  207    HA   VAL  27           HA       VAL  27  -6.804   0.945   0.713
  208    HB   VAL  27           HB       VAL  27  -5.129   2.322   2.873
  209   1HG1  VAL  27          2HG1      VAL  27  -7.730   0.741   2.946
  210   2HG1  VAL  27          1HG1      VAL  27  -6.700   0.848   4.363
  211   3HG1  VAL  27          3HG1      VAL  27  -7.389   2.304   3.673
  212   1HG2  VAL  27          2HG2      VAL  27  -4.042   0.239   1.956
  213   2HG2  VAL  27          1HG2      VAL  27  -4.579   0.000   3.607
  214   3HG2  VAL  27          3HG2      VAL  27  -5.521  -0.648   2.273
   
  No H/Q in entry =         214
  Start of MODEL   13
    1   1H    CYS   1          3H        CYS   1  -1.355  12.877  -5.349
    2   2H    CYS   1          2H        CYS   1  -0.246  13.418  -4.185
    3   3H    CYS   1          1H        CYS   1   0.209  12.216  -5.296
    4    HA   CYS   1           HA       CYS   1  -0.219  11.207  -3.182
    5   1HB   CYS   1          2HB       CYS   1  -1.985  11.846  -1.881
    6   2HB   CYS   1          1HB       CYS   1  -2.050  13.228  -2.916
    7    H    ARG   2           H        ARG   2  -0.456   9.079  -3.621
    8    HA   ARG   2           HA       ARG   2  -1.578   8.236  -6.188
    9   1HB   ARG   2          2HB       ARG   2   0.548   7.329  -5.141
   10   2HB   ARG   2          1HB       ARG   2  -0.419   6.543  -3.931
   11   1HG   ARG   2          2HG       ARG   2  -0.621   4.765  -5.282
   12   2HG   ARG   2          1HG       ARG   2  -1.635   5.720  -6.340
   13   1HD   ARG   2          2HD       ARG   2   1.337   6.097  -6.683
   14   2HD   ARG   2          1HD       ARG   2   0.674   4.544  -7.166
   15    HE   ARG   2           HE       ARG   2  -0.741   6.943  -8.164
   16   1HH1  ARG   2          1HH2      ARG   2  -1.397   4.730  -9.690
   17   2HH1  ARG   2          2HH2      ARG   2  -0.219   4.633 -10.956
   18   1HH2  ARG   2          2HH1      ARG   2   2.049   6.712  -9.283
   19   2HH2  ARG   2          1HH1      ARG   2   1.781   5.784 -10.722
   20    H    ILE   3           H        ILE   3  -3.569   7.424  -6.517
   21    HA   ILE   3           HA       ILE   3  -5.603   7.583  -4.611
   22    HB   ILE   3           HB       ILE   3  -6.939   6.334  -6.335
   23   1HG1  ILE   3          2HG1      ILE   3  -4.254   6.070  -7.781
   24   2HG1  ILE   3          1HG1      ILE   3  -5.137   4.750  -7.040
   25   1HG2  ILE   3          2HG2      ILE   3  -5.902   8.891  -6.483
   26   2HG2  ILE   3          1HG2      ILE   3  -5.352   8.223  -8.008
   27   3HG2  ILE   3          3HG2      ILE   3  -7.064   8.235  -7.620
   28   1HD1  ILE   3          1HD1      ILE   3  -7.078   5.233  -8.548
   29   2HD1  ILE   3          3HD1      ILE   3  -6.092   6.433  -9.373
   30   3HD1  ILE   3          2HD1      ILE   3  -5.626   4.741  -9.405
   31    HA   HYP   4           HA       HYP   4  -5.805   3.737  -2.277
   32   1HB   HYP   4          1HB       HYP   4  -7.939   3.568  -1.453
   33   2HB   HYP   4          2HB       HYP   4  -8.667   3.620  -3.046
   34   1HD   HYP   4          1HD1      HYP   4  -6.700   7.127  -2.799
   35   2HD   HYP   4          2HD1      HYP   4  -7.744   6.644  -4.146
   36    HOD  HYP   4           HD2      HYP   4  -7.816   6.871  -0.878
   37    HG   HYP   4           HG       HYP   4  -9.208   5.858  -2.406
   38    H    ASN   5           H        ASN   5  -6.149   1.572  -2.531
   39    HA   ASN   5           HA       ASN   5  -6.053  -0.492  -3.511
   40   1HB   ASN   5          2HB       ASN   5  -7.800  -1.002  -4.899
   41   2HB   ASN   5          1HB       ASN   5  -8.316   0.629  -4.567
   42   1HD2  ASN   5          2HD2      ASN   5  -8.378  -0.163  -8.263
   43   2HD2  ASN   5          1HD2      ASN   5  -8.943  -1.004  -6.902
   44    H    GLN   6           H        GLN   6  -4.639   2.177  -5.103
   45    HA   GLN   6           HA       GLN   6  -3.492   0.856  -7.357
   46   1HB   GLN   6          2HB       GLN   6  -3.568   3.346  -7.069
   47   2HB   GLN   6          1HB       GLN   6  -2.411   3.228  -5.759
   48   1HG   GLN   6          2HG       GLN   6  -1.327   3.866  -7.890
   49   2HG   GLN   6          1HG       GLN   6  -0.702   2.325  -7.331
   50   1HE2  GLN   6          2HE2      GLN   6  -2.995   2.516 -10.727
   51   2HE2  GLN   6          1HE2      GLN   6  -2.991   3.815  -9.637
   52    H    LYS   7           H        LYS   7  -1.721  -0.374  -7.569
   53    HA   LYS   7           HA       LYS   7  -0.691  -1.805  -5.378
   54   1HB   LYS   7          2HB       LYS   7   0.799  -2.831  -6.936
   55   2HB   LYS   7          1HB       LYS   7  -0.678  -2.494  -7.795
   56   1HG   LYS   7          2HG       LYS   7   0.701  -1.626  -9.382
   57   2HG   LYS   7          1HG       LYS   7   0.689  -0.194  -8.379
   58   1HD   LYS   7          2HD       LYS   7   2.723  -1.303  -7.129
   59   2HD   LYS   7          1HD       LYS   7   2.753  -2.434  -8.460
   60   1HE   LYS   7          2HE       LYS   7   4.309  -0.668  -9.031
   61   2HE   LYS   7          1HE       LYS   7   2.891  -0.397 -10.035
   62   1HZ   LYS   7          1HZ       LYS   7   3.418   0.942  -7.444
   63   2HZ   LYS   7          3HZ       LYS   7   3.697   1.624  -8.974
   64   3HZ   LYS   7          2HZ       LYS   7   2.115   1.244  -8.487
   65    H    CYS   8           H        CYS   8   0.536  -1.255  -3.860
   66    HA   CYS   8           HA       CYS   8   2.909   0.488  -4.182
   67   1HB   CYS   8          2HB       CYS   8   2.253   1.718  -2.105
   68   2HB   CYS   8          1HB       CYS   8   1.169   1.986  -3.431
   69    H    PHE   9           H        PHE   9   3.493   0.478  -1.377
   70    HA   PHE   9           HA       PHE   9   3.555  -2.371  -0.607
   71   1HB   PHE   9          2HB       PHE   9   5.823  -1.002  -1.847
   72   2HB   PHE   9          1HB       PHE   9   6.248  -1.419  -0.199
   73    HD1  PHE   9           HD1      PHE   9   5.100  -2.791  -3.441
   74    HD2  PHE   9           HD2      PHE   9   6.484  -3.742   0.478
   75    HE1  PHE   9           HE1      PHE   9   5.405  -5.127  -4.115
   76    HE2  PHE   9           HE2      PHE   9   6.790  -6.079  -0.202
   77    HZ   PHE   9           HZ       PHE   9   6.251  -6.777  -2.499
   78    H    GLN  10           H        GLN  10   4.105  -2.768   1.486
   79    HA   GLN  10           HA       GLN  10   3.082  -1.030   3.405
   80   1HB   GLN  10          2HB       GLN  10   4.551  -2.607   5.020
   81   2HB   GLN  10          1HB       GLN  10   3.149  -3.247   4.211
   82   1HG   GLN  10          2HG       GLN  10   5.833  -3.404   2.795
   83   2HG   GLN  10          1HG       GLN  10   5.512  -4.514   4.111
   84   1HE2  GLN  10          2HE2      GLN  10   2.547  -5.098   1.436
   85   2HE2  GLN  10          1HE2      GLN  10   2.613  -3.699   2.393
   86    H    HIS  11           H        HIS  11   6.235  -1.376   2.123
   87    HA   HIS  11           HA       HIS  11   7.571   0.344   4.098
   88   1HB   HIS  11          2HB       HIS  11   8.433  -1.117   1.569
   89   2HB   HIS  11          1HB       HIS  11   9.485   0.081   2.304
   90    HD1  HIS  11           HD1      HIS  11  11.177  -1.372   3.396
   91    HD2  HIS  11           HD2      HIS  11   7.426  -2.703   4.299
   92    HE1  HIS  11           HE1      HIS  11  11.460  -3.169   5.061
   93    H    LEU  12           H        LEU  12   7.019   0.400   0.632
   94    HA   LEU  12           HA       LEU  12   7.252   3.365   0.572
   95   1HB   LEU  12          2HB       LEU  12   7.330   1.219  -1.587
   96   2HB   LEU  12          1HB       LEU  12   7.296   2.928  -1.975
   97    HG   LEU  12           HG       LEU  12   9.406   1.753  -0.106
   98   1HD1  LEU  12          3HD1      LEU  12   9.596   2.169  -3.124
   99   2HD1  LEU  12          2HD1      LEU  12  10.926   1.711  -2.073
  100   3HD1  LEU  12          1HD1      LEU  12   9.579   0.614  -2.307
  101   1HD2  LEU  12          3HD2      LEU  12   9.207   4.345  -1.715
  102   2HD2  LEU  12          2HD2      LEU  12   9.188   4.197   0.036
  103   3HD2  LEU  12          1HD2      LEU  12  10.651   3.835  -0.855
  104    H    ASP  13           H        ASP  13   5.193   3.176   1.780
  105    HA   ASP  13           HA       ASP  13   2.775   2.725   0.149
  106   1HB   ASP  13          2HB       ASP  13   1.643   3.527   2.372
  107   2HB   ASP  13          1HB       ASP  13   2.501   2.006   2.434
  108    H    ASP  14           H        ASP  14   3.091   4.229  -1.398
  109    HA   ASP  14           HA       ASP  14   3.385   7.083  -0.799
  110   1HB   ASP  14          2HB       ASP  14   3.423   7.180  -3.354
  111   2HB   ASP  14          1HB       ASP  14   4.695   6.222  -2.627
  112    H    CYS  15           H        CYS  15   0.837   5.242  -0.482
  113    HA   CYS  15           HA       CYS  15  -1.195   6.315  -2.151
  114   1HB   CYS  15          2HB       CYS  15  -1.626   5.338   0.646
  115   2HB   CYS  15          1HB       CYS  15  -2.688   5.208  -0.732
  116    H    CYS  16           H        CYS  16  -2.939   7.627  -1.554
  117    HA   CYS  16           HA       CYS  16  -2.217  10.206  -0.580
  118   1HB   CYS  16          2HB       CYS  16  -4.244   9.243  -2.100
  119   2HB   CYS  16          1HB       CYS  16  -5.087   9.279  -0.579
  120    H    SER  17           H        SER  17  -3.709   7.389   0.778
  121    HA   SER  17           HA       SER  17  -4.144   8.531   3.444
  122   1HB   SER  17          2HB       SER  17  -5.163   6.283   3.849
  123   2HB   SER  17          1HB       SER  17  -5.827   6.961   2.356
  124    HG   SER  17           HG       SER  17  -4.118   5.852   1.255
  125    H    ARG  18           H        ARG  18  -1.734   7.057   1.684
  126    HA   ARG  18           HA       ARG  18   0.346   6.146   2.097
  127   1HB   ARG  18          2HB       ARG  18  -0.159   7.649   4.721
  128   2HB   ARG  18          1HB       ARG  18   1.322   6.772   4.453
  129   1HG   ARG  18          2HG       ARG  18   1.963   8.870   3.703
  130   2HG   ARG  18          1HG       ARG  18   1.489   8.111   2.201
  131   1HD   ARG  18          2HD       ARG  18   0.414  10.238   2.133
  132   2HD   ARG  18          1HD       ARG  18  -0.872   9.164   2.645
  133    HE   ARG  18           HE       ARG  18   0.453  11.202   4.293
  134   1HH1  ARG  18          1HH2      ARG  18   0.509   9.953   6.508
  135   2HH1  ARG  18          2HH2      ARG  18  -1.083   9.525   7.036
  136   1HH2  ARG  18          2HH1      ARG  18  -2.488  10.001   3.869
  137   2HH2  ARG  18          1HH1      ARG  18  -2.819   9.553   5.507
  138    H    LYS  19           H        LYS  19  -2.108   4.683   2.681
  139    HA   LYS  19           HA       LYS  19  -1.099   2.645   4.599
  140   1HB   LYS  19          2HB       LYS  19  -3.859   3.671   3.918
  141   2HB   LYS  19          1HB       LYS  19  -3.625   2.095   4.634
  142   1HG   LYS  19          2HG       LYS  19  -2.853   2.979   6.674
  143   2HG   LYS  19          1HG       LYS  19  -2.252   4.451   5.935
  144   1HD   LYS  19          2HD       LYS  19  -4.418   5.418   5.766
  145   2HD   LYS  19          1HD       LYS  19  -5.232   3.882   5.995
  146   1HE   LYS  19          2HE       LYS  19  -3.473   5.064   8.173
  147   2HE   LYS  19          1HE       LYS  19  -5.167   5.498   8.020
  148   1HZ   LYS  19          3HZ       LYS  19  -5.692   3.104   8.100
  149   2HZ   LYS  19          2HZ       LYS  19  -4.057   2.788   8.433
  150   3HZ   LYS  19          1HZ       LYS  19  -4.985   3.701   9.524
  151    H    CYS  20           H        CYS  20  -0.486   0.853   3.631
  152    HA   CYS  20           HA       CYS  20  -1.740   0.024   1.078
  153   1HB   CYS  20          2HB       CYS  20   1.129  -0.045   2.048
  154   2HB   CYS  20          1HB       CYS  20   0.581  -0.964   0.682
  155    H    ASN  21           H        ASN  21  -2.900  -1.713   1.467
  156    HA   ASN  21           HA       ASN  21  -2.787  -3.273   3.853
  157   1HB   ASN  21          2HB       ASN  21  -4.512  -4.655   2.745
  158   2HB   ASN  21          1HB       ASN  21  -4.821  -2.954   2.475
  159   1HD2  ASN  21          2HD2      ASN  21  -5.299  -4.195  -0.841
  160   2HD2  ASN  21          1HD2      ASN  21  -6.121  -3.900   0.614
  161    H    ARG  22           H        ARG  22  -3.009  -5.813   3.368
  162    HA   ARG  22           HA       ARG  22  -0.366  -6.746   3.131
  163   1HB   ARG  22          2HB       ARG  22  -1.375  -8.949   3.565
  164   2HB   ARG  22          1HB       ARG  22  -2.036  -7.737   4.636
  165   1HG   ARG  22          2HG       ARG  22  -4.038  -7.519   3.125
  166   2HG   ARG  22          1HG       ARG  22  -3.367  -8.774   2.098
  167   1HD   ARG  22          2HD       ARG  22  -4.985  -9.814   3.599
  168   2HD   ARG  22          1HD       ARG  22  -3.376 -10.342   4.083
  169    HE   ARG  22           HE       ARG  22  -4.180  -7.959   5.521
  170   1HH1  ARG  22          1HH2      ARG  22  -2.701 -10.327   6.631
  171   2HH1  ARG  22          2HH2      ARG  22  -3.877 -11.020   7.696
  172   1HH2  ARG  22          2HH1      ARG  22  -6.533  -9.252   6.261
  173   2HH2  ARG  22          1HH1      ARG  22  -6.093 -10.399   7.482
  174    H    PHE  23           H        PHE  23  -2.814  -6.268   0.798
  175    HA   PHE  23           HA       PHE  23  -1.775  -8.225  -1.129
  176   1HB   PHE  23          2HB       PHE  23  -3.984  -6.130  -1.333
  177   2HB   PHE  23          1HB       PHE  23  -3.664  -7.402  -2.491
  178    HD1  PHE  23           HD2      PHE  23  -3.833  -9.842  -1.708
  179    HD2  PHE  23           HD1      PHE  23  -5.300  -6.580   0.613
  180    HE1  PHE  23           HE2      PHE  23  -5.216 -11.388  -0.401
  181    HE2  PHE  23           HE1      PHE  23  -6.680  -8.131   1.914
  182    HZ   PHE  23           HZ       PHE  23  -6.642 -10.538   1.412
  183    H    ASN  24           H        ASN  24  -0.414  -5.681  -0.059
  184    HA   ASN  24           HA       ASN  24   0.943  -3.962  -0.820
  185   1HB   ASN  24          2HB       ASN  24   1.202  -6.082  -3.018
  186   2HB   ASN  24          1HB       ASN  24   2.216  -4.645  -2.989
  187   1HD2  ASN  24          2HD2      ASN  24   3.980  -5.612  -0.031
  188   2HD2  ASN  24          1HD2      ASN  24   3.425  -4.255  -0.885
  189    H    LYS  25           H        LYS  25  -1.708  -3.615  -1.228
  190    HA   LYS  25           HA       LYS  25  -1.862  -1.888  -3.647
  191   1HB   LYS  25          2HB       LYS  25  -3.782  -3.889  -2.457
  192   2HB   LYS  25          1HB       LYS  25  -4.452  -2.436  -3.161
  193   1HG   LYS  25          2HG       LYS  25  -3.321  -2.937  -5.317
  194   2HG   LYS  25          1HG       LYS  25  -2.525  -4.316  -4.593
  195   1HD   LYS  25          2HD       LYS  25  -4.357  -5.300  -5.715
  196   2HD   LYS  25          1HD       LYS  25  -4.897  -5.222  -4.053
  197   1HE   LYS  25          2HE       LYS  25  -6.720  -4.431  -5.443
  198   2HE   LYS  25          1HE       LYS  25  -6.074  -3.017  -4.631
  199   1HZ   LYS  25          1HZ       LYS  25  -4.581  -3.002  -6.801
  200   2HZ   LYS  25          3HZ       LYS  25  -5.952  -3.780  -7.435
  201   3HZ   LYS  25          2HZ       LYS  25  -6.097  -2.243  -6.725
  202    H    CYS  26           H        CYS  26  -3.103   0.065  -3.262
  203    HA   CYS  26           HA       CYS  26  -2.636   1.103  -0.603
  204   1HB   CYS  26          2HB       CYS  26  -3.894   2.199  -3.099
  205   2HB   CYS  26          1HB       CYS  26  -3.901   3.100  -1.616
  206    H    VAL  27           H        VAL  27  -4.288   2.384   0.416
  207    HA   VAL  27           HA       VAL  27  -6.946   1.011   0.579
  208    HB   VAL  27           HB       VAL  27  -5.321   2.113   2.912
  209   1HG1  VAL  27          3HG1      VAL  27  -7.910   0.519   2.714
  210   2HG1  VAL  27          2HG1      VAL  27  -6.972   0.564   4.200
  211   3HG1  VAL  27          1HG1      VAL  27  -7.642   2.045   3.548
  212   1HG2  VAL  27          1HG2      VAL  27  -5.618  -0.776   1.946
  213   2HG2  VAL  27          3HG2      VAL  27  -4.134   0.155   1.969
  214   3HG2  VAL  27          2HG2      VAL  27  -4.888  -0.315   3.474
   
  No H/Q in entry =         214
  Start of MODEL   14
    1   1H    CYS   1          2H        CYS   1  -1.283  12.930  -4.983
    2   2H    CYS   1          1H        CYS   1  -0.103  13.337  -3.829
    3   3H    CYS   1          3H        CYS   1   0.194  12.090  -4.941
    4    HA   CYS   1           HA       CYS   1  -0.327  11.153  -2.805
    5   1HB   CYS   1          2HB       CYS   1  -2.032  11.990  -1.520
    6   2HB   CYS   1          1HB       CYS   1  -1.979  13.349  -2.585
    7    H    ARG   2           H        ARG   2  -0.484   9.121  -3.518
    8    HA   ARG   2           HA       ARG   2  -1.752   8.430  -6.015
    9   1HB   ARG   2          2HB       ARG   2  -0.002   7.147  -4.048
   10   2HB   ARG   2          1HB       ARG   2  -1.221   6.016  -4.576
   11   1HG   ARG   2          2HG       ARG   2   0.364   7.694  -6.561
   12   2HG   ARG   2          1HG       ARG   2   0.992   6.187  -5.944
   13   1HD   ARG   2          2HD       ARG   2  -0.109   5.305  -7.761
   14   2HD   ARG   2          1HD       ARG   2  -1.493   5.320  -6.677
   15    HE   ARG   2           HE       ARG   2  -2.389   7.145  -7.896
   16   1HH1  ARG   2          2HH1      ARG   2  -0.327   9.065  -8.138
   17   2HH1  ARG   2          1HH1      ARG   2   0.220   8.953  -9.778
   18   1HH2  ARG   2          1HH2      ARG   2  -1.213   5.797 -10.261
   19   2HH2  ARG   2          2HH2      ARG   2  -0.294   7.061 -11.006
   20    H    ILE   3           H        ILE   3  -3.434   6.955  -6.407
   21    HA   ILE   3           HA       ILE   3  -5.717   7.373  -4.712
   22    HB   ILE   3           HB       ILE   3  -6.788   5.805  -6.444
   23   1HG1  ILE   3          2HG1      ILE   3  -4.512   6.202  -8.322
   24   2HG1  ILE   3          1HG1      ILE   3  -4.110   5.128  -7.010
   25   1HG2  ILE   3          1HG2      ILE   3  -5.334   8.308  -7.399
   26   2HG2  ILE   3          3HG2      ILE   3  -6.710   7.572  -8.204
   27   3HG2  ILE   3          2HG2      ILE   3  -6.898   8.270  -6.606
   28   1HD1  ILE   3          1HD1      ILE   3  -6.695   4.742  -8.513
   29   2HD1  ILE   3          3HD1      ILE   3  -5.180   4.113  -9.138
   30   3HD1  ILE   3          2HD1      ILE   3  -5.770   3.575  -7.575
   31    HA   HYP   4           HA       HYP   4  -5.828   3.562  -2.268
   32   1HB   HYP   4          1HB       HYP   4  -7.968   3.362  -1.479
   33   2HB   HYP   4          2HB       HYP   4  -8.670   3.338  -3.086
   34   1HD   HYP   4          1HD1      HYP   4  -6.859   6.939  -2.914
   35   2HD   HYP   4          2HD1      HYP   4  -7.838   6.338  -4.264
   36    HOD  HYP   4           HD2      HYP   4  -7.978   5.017  -0.475
   37    HG   HYP   4           HG       HYP   4  -9.305   5.576  -2.519
   38    H    ASN   5           H        ASN   5  -6.126   1.364  -2.538
   39    HA   ASN   5           HA       ASN   5  -5.950  -0.681  -3.541
   40   1HB   ASN   5          2HB       ASN   5  -7.656  -1.220  -4.960
   41   2HB   ASN   5          1HB       ASN   5  -8.225   0.382  -4.577
   42   1HD2  ASN   5          2HD2      ASN   5  -8.390  -0.153  -8.265
   43   2HD2  ASN   5          1HD2      ASN   5  -9.014  -0.963  -6.911
   44    H    GLN   6           H        GLN   6  -4.486   1.974  -5.061
   45    HA   GLN   6           HA       GLN   6  -3.362   0.667  -7.344
   46   1HB   GLN   6          2HB       GLN   6  -3.466   3.189  -6.769
   47   2HB   GLN   6          1HB       GLN   6  -2.022   2.927  -5.817
   48   1HG   GLN   6          2HG       GLN   6  -0.916   3.316  -7.820
   49   2HG   GLN   6          1HG       GLN   6  -1.306   1.647  -8.170
   50   1HE2  GLN   6          2HE2      GLN   6  -3.150   4.609 -10.235
   51   2HE2  GLN   6          1HE2      GLN   6  -2.055   4.965  -8.990
   52    H    LYS   7           H        LYS   7  -1.800  -0.740  -7.500
   53    HA   LYS   7           HA       LYS   7  -0.641  -2.144  -5.394
   54   1HB   LYS   7          2HB       LYS   7  -0.742  -2.623  -7.960
   55   2HB   LYS   7          1HB       LYS   7   0.801  -1.811  -8.044
   56   1HG   LYS   7          2HG       LYS   7   0.295  -4.074  -6.062
   57   2HG   LYS   7          1HG       LYS   7   0.758  -4.398  -7.719
   58   1HD   LYS   7          2HD       LYS   7   2.779  -2.856  -7.355
   59   2HD   LYS   7          1HD       LYS   7   2.370  -2.849  -5.647
   60   1HE   LYS   7          2HE       LYS   7   2.910  -5.372  -7.261
   61   2HE   LYS   7          1HE       LYS   7   4.070  -4.590  -6.194
   62   1HZ   LYS   7          2HZ       LYS   7   1.840  -4.840  -4.666
   63   2HZ   LYS   7          1HZ       LYS   7   1.877  -6.288  -5.551
   64   3HZ   LYS   7          3HZ       LYS   7   3.215  -5.834  -4.608
   65    H    CYS   8           H        CYS   8   0.424  -1.206  -3.805
   66    HA   CYS   8           HA       CYS   8   2.886   0.367  -4.412
   67   1HB   CYS   8          2HB       CYS   8   2.353   1.761  -2.409
   68   2HB   CYS   8          1HB       CYS   8   1.266   1.980  -3.749
   69    H    PHE   9           H        PHE   9   4.435   0.379  -2.740
   70    HA   PHE   9           HA       PHE   9   4.615  -2.233  -1.381
   71   1HB   PHE   9          2HB       PHE   9   6.485  -0.669  -2.720
   72   2HB   PHE   9          1HB       PHE   9   6.848  -0.281  -1.050
   73    HD1  PHE   9           HD1      PHE   9   6.749  -2.968  -3.556
   74    HD2  PHE   9           HD2      PHE   9   7.649  -2.012   0.496
   75    HE1  PHE   9           HE1      PHE   9   7.928  -5.104  -3.312
   76    HE2  PHE   9           HE2      PHE   9   8.829  -4.150   0.739
   77    HZ   PHE   9           HZ       PHE   9   8.970  -5.700  -1.167
   78    H    GLN  10           H        GLN  10   4.654  -2.516   0.759
   79    HA   GLN  10           HA       GLN  10   3.268  -0.847   2.481
   80   1HB   GLN  10          2HB       GLN  10   5.322  -3.018   3.024
   81   2HB   GLN  10          1HB       GLN  10   4.396  -2.272   4.315
   82   1HG   GLN  10          2HG       GLN  10   2.325  -3.123   3.512
   83   2HG   GLN  10          1HG       GLN  10   2.955  -3.432   1.900
   84   1HE2  GLN  10          2HE2      GLN  10   4.009  -6.685   2.683
   85   2HE2  GLN  10          1HE2      GLN  10   3.775  -5.497   1.492
   86    H    HIS  11           H        HIS  11   6.630  -0.890   1.705
   87    HA   HIS  11           HA       HIS  11   7.439   0.981   3.819
   88   1HB   HIS  11          2HB       HIS  11   8.923  -0.167   1.401
   89   2HB   HIS  11          1HB       HIS  11   9.671   0.863   2.615
   90    HD1  HIS  11           HD1      HIS  11  10.572  -0.396   4.563
   91    HD2  HIS  11           HD2      HIS  11   7.758  -2.652   2.650
   92    HE1  HIS  11           HE1      HIS  11  10.561  -2.592   5.685
   93    H    LEU  12           H        LEU  12   7.135   0.954   0.322
   94    HA   LEU  12           HA       LEU  12   7.377   3.901   0.154
   95   1HB   LEU  12          2HB       LEU  12   7.102   1.731  -1.979
   96   2HB   LEU  12          1HB       LEU  12   7.251   3.435  -2.347
   97    HG   LEU  12           HG       LEU  12   9.339   2.024  -0.637
   98   1HD1  LEU  12          2HD1      LEU  12   9.310   2.323  -3.671
   99   2HD1  LEU  12          1HD1      LEU  12  10.678   1.761  -2.725
  100   3HD1  LEU  12          3HD1      LEU  12   9.207   0.808  -2.787
  101   1HD2  LEU  12          2HD2      LEU  12   9.312   4.577  -2.315
  102   2HD2  LEU  12          1HD2      LEU  12   9.417   4.476  -0.565
  103   3HD2  LEU  12          3HD2      LEU  12  10.753   3.922  -1.556
  104    H    ASP  13           H        ASP  13   5.290   3.483   1.594
  105    HA   ASP  13           HA       ASP  13   2.814   3.163   0.064
  106   1HB   ASP  13          2HB       ASP  13   1.770   3.916   2.311
  107   2HB   ASP  13          1HB       ASP  13   2.695   2.436   2.367
  108    H    ASP  14           H        ASP  14   3.102   4.674  -1.496
  109    HA   ASP  14           HA       ASP  14   3.361   7.538  -0.888
  110   1HB   ASP  14          2HB       ASP  14   3.174   7.586  -3.511
  111   2HB   ASP  14          1HB       ASP  14   4.619   6.908  -2.790
  112    H    CYS  15           H        CYS  15   0.879   5.442  -0.804
  113    HA   CYS  15           HA       CYS  15  -1.231   6.536  -2.285
  114   1HB   CYS  15          2HB       CYS  15  -1.505   5.413   0.488
  115   2HB   CYS  15          1HB       CYS  15  -2.645   5.300  -0.826
  116    H    CYS  16           H        CYS  16  -3.061   7.760  -1.534
  117    HA   CYS  16           HA       CYS  16  -2.309  10.295  -0.421
  118   1HB   CYS  16          2HB       CYS  16  -4.381   9.462  -1.960
  119   2HB   CYS  16          1HB       CYS  16  -5.186   9.393  -0.421
  120    H    SER  17           H        SER  17  -3.773   7.392   0.799
  121    HA   SER  17           HA       SER  17  -4.190   8.407   3.512
  122   1HB   SER  17          2HB       SER  17  -5.087   6.099   3.863
  123   2HB   SER  17          1HB       SER  17  -5.793   6.775   2.390
  124    HG   SER  17           HG       SER  17  -4.694   4.602   2.336
  125    H    ARG  18           H        ARG  18  -1.724   7.141   1.664
  126    HA   ARG  18           HA       ARG  18   0.406   6.314   2.047
  127   1HB   ARG  18          2HB       ARG  18  -0.062   7.553   4.808
  128   2HB   ARG  18          1HB       ARG  18   1.499   7.104   4.158
  129   1HG   ARG  18          2HG       ARG  18   1.272   8.722   2.322
  130   2HG   ARG  18          1HG       ARG  18  -0.349   9.141   2.846
  131   1HD   ARG  18          2HD       ARG  18   2.127   9.492   4.589
  132   2HD   ARG  18          1HD       ARG  18   1.395  10.781   3.639
  133    HE   ARG  18           HE       ARG  18  -0.741  10.243   4.995
  134   1HH1  ARG  18          1HH2      ARG  18   0.493   8.107   6.641
  135   2HH1  ARG  18          2HH2      ARG  18   0.972   8.955   8.072
  136   1HH2  ARG  18          2HH1      ARG  18   0.714  12.095   6.537
  137   2HH2  ARG  18          1HH1      ARG  18   1.101  11.274   8.013
  138    H    LYS  19           H        LYS  19  -1.895   4.658   2.547
  139    HA   LYS  19           HA       LYS  19  -0.716   2.651   4.397
  140   1HB   LYS  19          2HB       LYS  19  -3.527   3.699   4.103
  141   2HB   LYS  19          1HB       LYS  19  -3.277   2.035   4.563
  142   1HG   LYS  19          2HG       LYS  19  -1.782   2.878   6.459
  143   2HG   LYS  19          1HG       LYS  19  -2.235   4.508   6.008
  144   1HD   LYS  19          2HD       LYS  19  -4.712   3.115   6.219
  145   2HD   LYS  19          1HD       LYS  19  -3.748   2.488   7.538
  146   1HE   LYS  19          2HE       LYS  19  -4.920   4.415   8.388
  147   2HE   LYS  19          1HE       LYS  19  -3.251   4.925   8.182
  148   1HZ   LYS  19          3HZ       LYS  19  -3.887   5.840   6.004
  149   2HZ   LYS  19          2HZ       LYS  19  -5.503   5.430   6.323
  150   3HZ   LYS  19          1HZ       LYS  19  -4.709   6.570   7.299
  151    H    CYS  20           H        CYS  20  -0.202   0.846   3.360
  152    HA   CYS  20           HA       CYS  20  -1.649   0.111   0.883
  153   1HB   CYS  20          2HB       CYS  20   1.259  -0.182   1.714
  154   2HB   CYS  20          1HB       CYS  20   0.583  -0.952   0.315
  155    H    ASN  21           H        ASN  21  -2.923  -1.513   1.406
  156    HA   ASN  21           HA       ASN  21  -2.826  -3.090   3.749
  157   1HB   ASN  21          2HB       ASN  21  -4.642  -4.384   2.693
  158   2HB   ASN  21          1HB       ASN  21  -4.858  -2.670   2.421
  159   1HD2  ASN  21          2HD2      ASN  21  -5.503  -3.917  -0.865
  160   2HD2  ASN  21          1HD2      ASN  21  -6.257  -3.591   0.620
  161    H    ARG  22           H        ARG  22  -3.263  -5.587   3.339
  162    HA   ARG  22           HA       ARG  22  -0.748  -6.794   3.183
  163   1HB   ARG  22          2HB       ARG  22  -1.999  -8.879   3.552
  164   2HB   ARG  22          1HB       ARG  22  -2.607  -7.600   4.576
  165   1HG   ARG  22          2HG       ARG  22  -4.411  -7.197   2.754
  166   2HG   ARG  22          1HG       ARG  22  -3.879  -8.711   2.044
  167   1HD   ARG  22          2HD       ARG  22  -4.212  -9.638   4.536
  168   2HD   ARG  22          1HD       ARG  22  -5.260  -8.232   4.687
  169    HE   ARG  22           HE       ARG  22  -6.658  -9.136   2.904
  170   1HH1  ARG  22          1HH2      ARG  22  -4.466 -10.764   1.610
  171   2HH1  ARG  22          2HH2      ARG  22  -4.942 -12.380   2.013
  172   1HH2  ARG  22          2HH1      ARG  22  -7.160 -11.313   4.509
  173   2HH2  ARG  22          1HH1      ARG  22  -6.511 -12.699   3.697
  174    H    PHE  23           H        PHE  23  -3.036  -6.105   0.732
  175    HA   PHE  23           HA       PHE  23  -2.051  -8.128  -1.155
  176   1HB   PHE  23          2HB       PHE  23  -4.083  -5.873  -1.418
  177   2HB   PHE  23          1HB       PHE  23  -3.756  -7.072  -2.639
  178    HD1  PHE  23           HD1      PHE  23  -4.104  -9.567  -1.993
  179    HD2  PHE  23           HD2      PHE  23  -5.660  -6.325   0.296
  180    HE1  PHE  23           HE1      PHE  23  -5.725 -11.080  -0.945
  181    HE2  PHE  23           HE2      PHE  23  -7.277  -7.841   1.338
  182    HZ   PHE  23           HZ       PHE  23  -7.314 -10.221   0.720
  183    H    ASN  24           H        ASN  24  -0.603  -5.628   0.012
  184    HA   ASN  24           HA       ASN  24   0.913  -4.009  -0.684
  185   1HB   ASN  24          2HB       ASN  24   1.168  -6.008  -3.001
  186   2HB   ASN  24          1HB       ASN  24   2.336  -4.744  -2.639
  187   1HD2  ASN  24          2HD2      ASN  24   3.838  -6.498   0.014
  188   2HD2  ASN  24          1HD2      ASN  24   3.783  -5.067  -0.898
  189    H    LYS  25           H        LYS  25  -1.697  -3.513  -1.212
  190    HA   LYS  25           HA       LYS  25  -1.648  -1.789  -3.633
  191   1HB   LYS  25          2HB       LYS  25  -3.680  -3.778  -2.626
  192   2HB   LYS  25          1HB       LYS  25  -4.283  -2.308  -3.342
  193   1HG   LYS  25          2HG       LYS  25  -2.832  -2.791  -5.376
  194   2HG   LYS  25          1HG       LYS  25  -2.380  -4.315  -4.634
  195   1HD   LYS  25          2HD       LYS  25  -4.619  -5.165  -4.748
  196   2HD   LYS  25          1HD       LYS  25  -5.298  -3.580  -5.077
  197   1HE   LYS  25          2HE       LYS  25  -4.063  -3.544  -7.273
  198   2HE   LYS  25          1HE       LYS  25  -3.506  -5.182  -6.946
  199   1HZ   LYS  25          2HZ       LYS  25  -6.365  -4.441  -6.961
  200   2HZ   LYS  25          1HZ       LYS  25  -5.540  -4.959  -8.352
  201   3HZ   LYS  25          3HZ       LYS  25  -5.683  -5.995  -7.015
  202    H    CYS  26           H        CYS  26  -2.911   0.193  -3.323
  203    HA   CYS  26           HA       CYS  26  -2.527   1.269  -0.698
  204   1HB   CYS  26          2HB       CYS  26  -3.901   2.277  -3.174
  205   2HB   CYS  26          1HB       CYS  26  -3.850   3.207  -1.712
  206    H    VAL  27           H        VAL  27  -4.178   2.517   0.335
  207    HA   VAL  27           HA       VAL  27  -6.785   1.072   0.616
  208    HB   VAL  27           HB       VAL  27  -5.074   2.301   2.840
  209   1HG1  VAL  27          2HG1      VAL  27  -7.753   0.854   2.854
  210   2HG1  VAL  27          1HG1      VAL  27  -6.751   0.943   4.290
  211   3HG1  VAL  27          3HG1      VAL  27  -7.366   2.415   3.562
  212   1HG2  VAL  27          3HG2      VAL  27  -5.600  -0.614   2.094
  213   2HG2  VAL  27          2HG2      VAL  27  -4.058   0.208   1.958
  214   3HG2  VAL  27          1HG2      VAL  27  -4.748  -0.096   3.539
   
  No H/Q in entry =         214
  Start of MODEL   15
    1   1H    CYS   1          2H        CYS   1  -1.209  12.743  -5.077
    2   2H    CYS   1          1H        CYS   1  -0.096  13.239  -3.893
    3   3H    CYS   1          3H        CYS   1   0.280  11.941  -4.923
    4    HA   CYS   1           HA       CYS   1  -0.329  11.088  -2.777
    5   1HB   CYS   1          2HB       CYS   1  -2.093  11.977  -1.599
    6   2HB   CYS   1          1HB       CYS   1  -2.011  13.280  -2.730
    7    H    ARG   2           H        ARG   2  -0.461   9.005  -3.413
    8    HA   ARG   2           HA       ARG   2  -1.652   8.258  -5.931
    9   1HB   ARG   2          2HB       ARG   2   0.182   7.097  -4.063
   10   2HB   ARG   2          1HB       ARG   2  -1.108   5.931  -4.245
   11   1HG   ARG   2          2HG       ARG   2   0.307   7.231  -6.606
   12   2HG   ARG   2          1HG       ARG   2   0.812   5.715  -5.898
   13   1HD   ARG   2          2HD       ARG   2  -0.598   4.838  -7.475
   14   2HD   ARG   2          1HD       ARG   2  -1.821   5.127  -6.247
   15    HE   ARG   2           HE       ARG   2  -2.458   7.171  -7.430
   16   1HH1  ARG   2          2HH1      ARG   2   0.168   7.645  -8.783
   17   2HH1  ARG   2          1HH1      ARG   2  -0.195   7.241 -10.429
   18   1HH2  ARG   2          1HH2      ARG   2  -3.128   5.531  -9.560
   19   2HH2  ARG   2          2HH2      ARG   2  -2.115   6.012 -10.881
   20    H    ILE   3           H        ILE   3  -3.395   7.029  -6.407
   21    HA   ILE   3           HA       ILE   3  -5.726   7.368  -4.843
   22    HB   ILE   3           HB       ILE   3  -6.820   6.183  -6.667
   23   1HG1  ILE   3          2HG1      ILE   3  -4.033   5.139  -7.329
   24   2HG1  ILE   3          1HG1      ILE   3  -5.397   4.175  -6.793
   25   1HG2  ILE   3          2HG2      ILE   3  -5.566   8.464  -7.099
   26   2HG2  ILE   3          1HG2      ILE   3  -4.448   7.493  -8.039
   27   3HG2  ILE   3          3HG2      ILE   3  -6.142   7.557  -8.487
   28   1HD1  ILE   3          1HD1      ILE   3  -6.605   5.082  -8.929
   29   2HD1  ILE   3          3HD1      ILE   3  -4.984   5.475  -9.477
   30   3HD1  ILE   3          2HD1      ILE   3  -5.403   3.812  -9.106
   31    HA   HYP   4           HA       HYP   4  -5.890   3.639  -2.300
   32   1HB   HYP   4          1HB       HYP   4  -8.002   3.557  -1.459
   33   2HB   HYP   4          2HB       HYP   4  -8.706   3.223  -3.031
   34   1HD   HYP   4          1HD1      HYP   4  -7.103   6.959  -3.268
   35   2HD   HYP   4          2HD1      HYP   4  -7.945   6.159  -4.608
   36    HOD  HYP   4           HD2      HYP   4  -8.452   6.839  -1.414
   37    HG   HYP   4           HG       HYP   4  -9.481   5.473  -2.906
   38    H    ASN   5           H        ASN   5  -6.136   1.421  -2.465
   39    HA   ASN   5           HA       ASN   5  -5.852  -0.657  -3.382
   40   1HB   ASN   5          2HB       ASN   5  -7.655  -1.348  -4.601
   41   2HB   ASN   5          1HB       ASN   5  -8.252   0.255  -4.286
   42   1HD2  ASN   5          2HD2      ASN   5  -8.608  -0.634  -7.918
   43   2HD2  ASN   5          1HD2      ASN   5  -9.026  -1.432  -6.481
   44    H    GLN   6           H        GLN   6  -4.423   1.912  -4.871
   45    HA   GLN   6           HA       GLN   6  -3.481   0.609  -7.286
   46   1HB   GLN   6          2HB       GLN   6  -3.463   3.224  -6.306
   47   2HB   GLN   6          1HB       GLN   6  -1.777   2.791  -6.191
   48   1HG   GLN   6          2HG       GLN   6  -3.202   2.084  -8.773
   49   2HG   GLN   6          1HG       GLN   6  -2.853   3.771  -8.475
   50   1HE2  GLN   6          2HE2      GLN   6   0.341   3.324  -9.769
   51   2HE2  GLN   6          1HE2      GLN   6  -1.115   4.189  -9.775
   52    H    LYS   7           H        LYS   7  -1.864  -0.728  -7.518
   53    HA   LYS   7           HA       LYS   7  -0.655  -2.182  -5.539
   54   1HB   LYS   7          2HB       LYS   7  -0.591  -2.214  -8.264
   55   2HB   LYS   7          1HB       LYS   7   1.062  -1.752  -7.949
   56   1HG   LYS   7          2HG       LYS   7  -0.305  -4.124  -6.592
   57   2HG   LYS   7          1HG       LYS   7   0.592  -4.278  -8.080
   58   1HD   LYS   7          2HD       LYS   7   1.891  -3.050  -5.606
   59   2HD   LYS   7          1HD       LYS   7   1.838  -4.778  -5.839
   60   1HE   LYS   7          2HE       LYS   7   2.874  -3.037  -8.092
   61   2HE   LYS   7          1HE       LYS   7   3.916  -3.411  -6.728
   62   1HZ   LYS   7          2HZ       LYS   7   2.473  -5.455  -8.305
   63   2HZ   LYS   7          1HZ       LYS   7   4.076  -4.979  -8.600
   64   3HZ   LYS   7          3HZ       LYS   7   3.668  -5.716  -7.125
   65    H    CYS   8           H        CYS   8   0.225  -1.257  -3.835
   66    HA   CYS   8           HA       CYS   8   2.856   0.096  -4.109
   67   1HB   CYS   8          2HB       CYS   8   2.236   1.727  -2.413
   68   2HB   CYS   8          1HB       CYS   8   1.165   1.851  -3.778
   69    H    PHE   9           H        PHE   9   4.289  -0.575  -2.570
   70    HA   PHE   9           HA       PHE   9   3.417  -2.821  -0.862
   71   1HB   PHE   9          2HB       PHE   9   6.031  -1.787  -1.911
   72   2HB   PHE   9          1HB       PHE   9   6.090  -2.671  -0.397
   73    HD1  PHE   9           HD2      PHE   9   4.450  -2.937  -3.775
   74    HD2  PHE   9           HD1      PHE   9   6.319  -5.000  -0.543
   75    HE1  PHE   9           HE2      PHE   9   4.263  -5.049  -5.009
   76    HE2  PHE   9           HE1      PHE   9   6.128  -7.106  -1.784
   77    HZ   PHE   9           HZ       PHE   9   5.101  -7.136  -4.017
   78    H    GLN  10           H        GLN  10   3.956  -2.992   1.293
   79    HA   GLN  10           HA       GLN  10   3.156  -0.898   2.940
   80   1HB   GLN  10          2HB       GLN  10   4.753  -3.424   3.544
   81   2HB   GLN  10          1HB       GLN  10   4.161  -2.363   4.805
   82   1HG   GLN  10          2HG       GLN  10   2.465  -4.032   4.616
   83   2HG   GLN  10          1HG       GLN  10   1.803  -2.656   3.752
   84   1HE2  GLN  10          2HE2      GLN  10   1.747  -4.331   0.644
   85   2HE2  GLN  10          1HE2      GLN  10   1.461  -2.876   1.475
   86    H    HIS  11           H        HIS  11   6.297  -1.840   1.834
   87    HA   HIS  11           HA       HIS  11   7.870  -0.232   3.629
   88   1HB   HIS  11          2HB       HIS  11   8.458  -2.236   1.842
   89   2HB   HIS  11          1HB       HIS  11   8.969  -0.849   0.897
   90    HD1  HIS  11           HD1      HIS  11  10.559   0.827   2.467
   91    HD2  HIS  11           HD2      HIS  11  10.404  -3.104   3.557
   92    HE1  HIS  11           HE1      HIS  11  12.532   0.424   3.894
   93    H    LEU  12           H        LEU  12   6.366   0.327   0.547
   94    HA   LEU  12           HA       LEU  12   7.134   3.217   0.672
   95   1HB   LEU  12          2HB       LEU  12   7.091   3.161  -1.856
   96   2HB   LEU  12          1HB       LEU  12   8.402   2.268  -1.134
   97    HG   LEU  12           HG       LEU  12   6.065   0.498  -1.468
   98   1HD1  LEU  12          3HD1      LEU  12   7.084   1.862  -3.993
   99   2HD1  LEU  12          2HD1      LEU  12   6.042   0.449  -3.951
  100   3HD1  LEU  12          1HD1      LEU  12   5.457   1.985  -3.346
  101   1HD2  LEU  12          2HD2      LEU  12   8.917   0.530  -2.540
  102   2HD2  LEU  12          1HD2      LEU  12   8.288  -0.420  -1.202
  103   3HD2  LEU  12          3HD2      LEU  12   7.799  -0.787  -2.847
  104    H    ASP  13           H        ASP  13   5.101   3.197   1.913
  105    HA   ASP  13           HA       ASP  13   2.620   2.945   0.329
  106   1HB   ASP  13          2HB       ASP  13   1.552   3.616   2.587
  107   2HB   ASP  13          1HB       ASP  13   2.433   2.107   2.586
  108    H    ASP  14           H        ASP  14   3.218   4.533  -1.155
  109    HA   ASP  14           HA       ASP  14   3.376   7.345  -0.333
  110   1HB   ASP  14          2HB       ASP  14   3.678   7.622  -2.861
  111   2HB   ASP  14          1HB       ASP  14   4.904   6.665  -2.059
  112    H    CYS  15           H        CYS  15   0.859   5.473  -0.356
  113    HA   CYS  15           HA       CYS  15  -1.024   6.544  -2.185
  114   1HB   CYS  15          2HB       CYS  15  -1.615   5.467   0.565
  115   2HB   CYS  15          1HB       CYS  15  -2.648   5.432  -0.834
  116    H    CYS  16           H        CYS  16  -3.034   7.666  -1.433
  117    HA   CYS  16           HA       CYS  16  -2.346  10.304  -0.475
  118   1HB   CYS  16          2HB       CYS  16  -4.352   9.353  -2.038
  119   2HB   CYS  16          1HB       CYS  16  -5.202   9.336  -0.520
  120    H    SER  17           H        SER  17  -3.714   7.415   0.807
  121    HA   SER  17           HA       SER  17  -4.251   8.503   3.477
  122   1HB   SER  17          2HB       SER  17  -5.134   6.174   3.841
  123   2HB   SER  17          1HB       SER  17  -5.836   6.870   2.375
  124    HG   SER  17           HG       SER  17  -4.705   4.678   2.343
  125    H    ARG  18           H        ARG  18  -1.718   7.216   1.736
  126    HA   ARG  18           HA       ARG  18   0.399   6.413   2.212
  127   1HB   ARG  18          2HB       ARG  18  -0.267   7.826   4.863
  128   2HB   ARG  18          1HB       ARG  18   1.281   7.077   4.576
  129   1HG   ARG  18          2HG       ARG  18   1.692   9.294   3.951
  130   2HG   ARG  18          1HG       ARG  18   1.427   8.500   2.415
  131   1HD   ARG  18          2HD       ARG  18   0.202  10.659   2.544
  132   2HD   ARG  18          1HD       ARG  18  -0.919   9.319   2.387
  133    HE   ARG  18           HE       ARG  18  -1.293   9.484   4.864
  134   1HH1  ARG  18          2HH1      ARG  18   1.068  11.412   5.161
  135   2HH1  ARG  18          1HH1      ARG  18   0.240  12.912   5.413
  136   1HH2  ARG  18          1HH2      ARG  18  -2.825  11.635   4.274
  137   2HH2  ARG  18          2HH2      ARG  18  -2.027  13.041   4.897
  138    H    LYS  19           H        LYS  19  -1.869   4.746   2.519
  139    HA   LYS  19           HA       LYS  19  -0.810   2.713   4.408
  140   1HB   LYS  19          2HB       LYS  19  -3.556   3.886   4.123
  141   2HB   LYS  19          1HB       LYS  19  -3.446   2.177   4.432
  142   1HG   LYS  19          2HG       LYS  19  -1.665   3.824   6.178
  143   2HG   LYS  19          1HG       LYS  19  -3.360   4.210   6.351
  144   1HD   LYS  19          2HD       LYS  19  -2.917   2.482   7.950
  145   2HD   LYS  19          1HD       LYS  19  -3.811   1.711   6.657
  146   1HE   LYS  19          2HE       LYS  19  -1.763   0.759   5.719
  147   2HE   LYS  19          1HE       LYS  19  -0.764   1.690   6.830
  148   1HZ   LYS  19          1HZ       LYS  19  -2.757  -0.337   7.654
  149   2HZ   LYS  19          3HZ       LYS  19  -1.087  -0.617   7.515
  150   3HZ   LYS  19          2HZ       LYS  19  -1.671   0.491   8.663
  151    H    CYS  20           H        CYS  20  -0.342   0.886   3.422
  152    HA   CYS  20           HA       CYS  20  -1.719   0.134   0.912
  153   1HB   CYS  20          2HB       CYS  20   1.178  -0.086   1.769
  154   2HB   CYS  20          1HB       CYS  20   0.523  -0.899   0.384
  155    H    ASN  21           H        ASN  21  -2.921  -1.562   1.346
  156    HA   ASN  21           HA       ASN  21  -2.742  -3.139   3.733
  157   1HB   ASN  21          2HB       ASN  21  -4.477  -4.604   2.445
  158   2HB   ASN  21          1HB       ASN  21  -4.909  -2.938   2.760
  159   1HD2  ASN  21          2HD2      ASN  21  -3.592  -3.647  -1.062
  160   2HD2  ASN  21          1HD2      ASN  21  -2.702  -4.217   0.261
  161    H    ARG  22           H        ARG  22  -2.908  -5.592   3.510
  162    HA   ARG  22           HA       ARG  22  -0.386  -6.642   3.012
  163   1HB   ARG  22          2HB       ARG  22  -1.558  -8.858   3.359
  164   2HB   ARG  22          1HB       ARG  22  -1.838  -7.674   4.615
  165   1HG   ARG  22          2HG       ARG  22  -4.065  -7.253   3.926
  166   2HG   ARG  22          1HG       ARG  22  -3.784  -7.827   2.295
  167   1HD   ARG  22          2HD       ARG  22  -5.134  -9.463   3.568
  168   2HD   ARG  22          1HD       ARG  22  -3.572 -10.165   3.158
  169    HE   ARG  22           HE       ARG  22  -3.196  -9.001   5.665
  170   1HH1  ARG  22          2HH1      ARG  22  -5.676  -9.453   6.734
  171   2HH1  ARG  22          1HH1      ARG  22  -5.782 -11.145   7.092
  172   1HH2  ARG  22          1HH2      ARG  22  -3.102 -11.954   4.980
  173   2HH2  ARG  22          2HH2      ARG  22  -4.282 -12.602   6.071
  174    H    PHE  23           H        PHE  23  -2.870  -6.036   0.750
  175    HA   PHE  23           HA       PHE  23  -2.046  -8.110  -1.154
  176   1HB   PHE  23          2HB       PHE  23  -4.000  -5.818  -1.598
  177   2HB   PHE  23          1HB       PHE  23  -3.924  -7.359  -2.419
  178    HD1  PHE  23           HD1      PHE  23  -4.102  -9.485  -0.755
  179    HD2  PHE  23           HD2      PHE  23  -5.640  -5.595   0.062
  180    HE1  PHE  23           HE1      PHE  23  -5.667 -10.441   0.873
  181    HE2  PHE  23           HE2      PHE  23  -7.200  -6.555   1.690
  182    HZ   PHE  23           HZ       PHE  23  -7.218  -8.979   2.099
  183    H    ASN  24           H        ASN  24  -0.512  -5.622  -0.138
  184    HA   ASN  24           HA       ASN  24   0.957  -4.025  -0.937
  185   1HB   ASN  24          2HB       ASN  24   1.095  -6.110  -3.182
  186   2HB   ASN  24          1HB       ASN  24   2.251  -4.803  -2.973
  187   1HD2  ASN  24          2HD2      ASN  24   3.601  -6.188   0.090
  188   2HD2  ASN  24          1HD2      ASN  24   3.190  -4.697  -0.607
  189    H    LYS  25           H        LYS  25  -1.657  -3.474  -1.338
  190    HA   LYS  25           HA       LYS  25  -1.621  -1.772  -3.773
  191   1HB   LYS  25          2HB       LYS  25  -3.651  -3.779  -2.792
  192   2HB   LYS  25          1HB       LYS  25  -4.247  -2.306  -3.504
  193   1HG   LYS  25          2HG       LYS  25  -3.115  -2.807  -5.617
  194   2HG   LYS  25          1HG       LYS  25  -2.119  -4.025  -4.856
  195   1HD   LYS  25          2HD       LYS  25  -3.675  -5.384  -5.906
  196   2HD   LYS  25          1HD       LYS  25  -4.407  -5.243  -4.324
  197   1HE   LYS  25          2HE       LYS  25  -5.120  -3.381  -6.634
  198   2HE   LYS  25          1HE       LYS  25  -5.982  -4.874  -6.305
  199   1HZ   LYS  25          3HZ       LYS  25  -6.226  -3.958  -3.962
  200   2HZ   LYS  25          2HZ       LYS  25  -5.809  -2.459  -4.639
  201   3HZ   LYS  25          1HZ       LYS  25  -7.185  -3.284  -5.191
  202    H    CYS  26           H        CYS  26  -2.977   0.215  -3.394
  203    HA   CYS  26           HA       CYS  26  -2.494   1.222  -0.743
  204   1HB   CYS  26          2HB       CYS  26  -3.940   2.282  -3.156
  205   2HB   CYS  26          1HB       CYS  26  -3.942   3.152  -1.658
  206    H    VAL  27           H        VAL  27  -4.287   2.449   0.343
  207    HA   VAL  27           HA       VAL  27  -6.758   0.791   0.577
  208    HB   VAL  27           HB       VAL  27  -5.166   2.016   2.877
  209   1HG1  VAL  27          1HG1      VAL  27  -7.537   0.091   2.777
  210   2HG1  VAL  27          3HG1      VAL  27  -6.616   0.412   4.235
  211   3HG1  VAL  27          2HG1      VAL  27  -7.528   1.704   3.475
  212   1HG2  VAL  27          3HG2      VAL  27  -5.277  -0.879   1.911
  213   2HG2  VAL  27          2HG2      VAL  27  -3.870   0.160   1.837
  214   3HG2  VAL  27          1HG2      VAL  27  -4.490  -0.356   3.390
   
  No H/Q in entry =         214
  Start of MODEL   16
    1   1H    CYS   1          3H        CYS   1  -0.003  12.278  -4.800
    2   2H    CYS   1          2H        CYS   1  -1.446  13.169  -4.719
    3   3H    CYS   1          1H        CYS   1  -0.200  13.470  -3.604
    4    HA   CYS   1           HA       CYS   1  -0.466  11.240  -2.686
    5   1HB   CYS   1          2HB       CYS   1  -2.085  12.083  -1.286
    6   2HB   CYS   1          1HB       CYS   1  -2.037  13.483  -2.296
    7    H    ARG   2           H        ARG   2  -0.774   9.243  -3.470
    8    HA   ARG   2           HA       ARG   2  -2.226   8.775  -5.947
    9   1HB   ARG   2          2HB       ARG   2  -0.402   7.258  -4.170
   10   2HB   ARG   2          1HB       ARG   2  -1.569   6.257  -4.982
   11   1HG   ARG   2          2HG       ARG   2  -0.356   8.238  -6.822
   12   2HG   ARG   2          1HG       ARG   2   0.850   7.241  -6.038
   13   1HD   ARG   2          2HD       ARG   2  -0.317   5.194  -6.746
   14   2HD   ARG   2          1HD       ARG   2  -1.602   6.148  -7.483
   15    HE   ARG   2           HE       ARG   2  -0.125   6.714  -9.263
   16   1HH1  ARG   2          1HH2      ARG   2   2.331   7.453  -8.034
   17   2HH1  ARG   2          2HH2      ARG   2   3.397   6.118  -8.318
   18   1HH2  ARG   2          2HH1      ARG   2   0.766   3.924  -9.063
   19   2HH2  ARG   2          1HH1      ARG   2   2.486   4.064  -8.915
   20    H    ILE   3           H        ILE   3  -3.697   6.995  -6.253
   21    HA   ILE   3           HA       ILE   3  -5.996   7.269  -4.526
   22    HB   ILE   3           HB       ILE   3  -6.917   5.513  -6.218
   23   1HG1  ILE   3          2HG1      ILE   3  -4.655   6.289  -8.046
   24   2HG1  ILE   3          1HG1      ILE   3  -4.297   5.062  -6.858
   25   1HG2  ILE   3          1HG2      ILE   3  -5.903   8.226  -7.170
   26   2HG2  ILE   3          3HG2      ILE   3  -7.124   7.273  -8.000
   27   3HG2  ILE   3          2HG2      ILE   3  -7.447   7.903  -6.395
   28   1HD1  ILE   3          1HD1      ILE   3  -6.799   4.805  -8.522
   29   2HD1  ILE   3          3HD1      ILE   3  -5.243   4.323  -9.174
   30   3HD1  ILE   3          2HD1      ILE   3  -5.863   3.547  -7.726
   31    HA   HYP   4           HA       HYP   4  -5.784   3.326  -2.230
   32   1HB   HYP   4          1HB       HYP   4  -7.896   2.930  -1.468
   33   2HB   HYP   4          2HB       HYP   4  -8.567   2.853  -3.087
   34   1HD   HYP   4          1HD1      HYP   4  -7.142   6.631  -2.698
   35   2HD   HYP   4          2HD1      HYP   4  -7.995   6.037  -4.134
   36    HOD  HYP   4           HD2      HYP   4  -8.290   6.216  -0.925
   37    HG   HYP   4           HG       HYP   4  -9.460   5.000  -2.551
   38    H    ASN   5           H        ASN   5  -6.227   1.063  -2.671
   39    HA   ASN   5           HA       ASN   5  -5.846  -0.869  -3.816
   40   1HB   ASN   5          2HB       ASN   5  -7.330  -1.329  -5.569
   41   2HB   ASN   5          1HB       ASN   5  -8.121  -0.001  -4.752
   42   1HD2  ASN   5          2HD2      ASN   5  -8.150   2.017  -7.620
   43   2HD2  ASN   5          1HD2      ASN   5  -8.712   1.744  -6.041
   44    H    GLN   6           H        GLN   6  -4.297   1.875  -5.052
   45    HA   GLN   6           HA       GLN   6  -3.110   0.729  -7.401
   46   1HB   GLN   6          2HB       GLN   6  -3.202   3.236  -6.586
   47   2HB   GLN   6          1HB       GLN   6  -1.738   2.847  -5.712
   48   1HG   GLN   6          2HG       GLN   6  -0.684   3.384  -7.696
   49   2HG   GLN   6          1HG       GLN   6  -1.126   1.764  -8.181
   50   1HE2  GLN   6          2HE2      GLN   6  -3.916   2.877 -10.189
   51   2HE2  GLN   6          1HE2      GLN   6  -3.471   1.622  -9.135
   52    H    LYS   7           H        LYS   7  -1.589  -0.737  -7.559
   53    HA   LYS   7           HA       LYS   7  -0.537  -2.257  -5.497
   54   1HB   LYS   7          2HB       LYS   7  -0.528  -2.703  -8.022
   55   2HB   LYS   7          1HB       LYS   7   0.919  -1.730  -8.116
   56   1HG   LYS   7          2HG       LYS   7   1.693  -3.996  -7.929
   57   2HG   LYS   7          1HG       LYS   7   1.960  -3.288  -6.353
   58   1HD   LYS   7          2HD       LYS   7   0.975  -5.390  -5.861
   59   2HD   LYS   7          1HD       LYS   7  -0.361  -4.282  -5.689
   60   1HE   LYS   7          2HE       LYS   7  -0.677  -4.893  -8.326
   61   2HE   LYS   7          1HE       LYS   7   0.095  -6.368  -7.765
   62   1HZ   LYS   7          1HZ       LYS   7  -1.606  -6.260  -5.891
   63   2HZ   LYS   7          3HZ       LYS   7  -2.438  -5.162  -6.883
   64   3HZ   LYS   7          2HZ       LYS   7  -2.136  -6.741  -7.432
   65    H    CYS   8           H        CYS   8   0.336  -1.351  -3.812
   66    HA   CYS   8           HA       CYS   8   2.975  -0.007  -4.042
   67   1HB   CYS   8          2HB       CYS   8   2.334   1.676  -2.449
   68   2HB   CYS   8          1HB       CYS   8   1.203   1.718  -3.769
   69    H    PHE   9           H        PHE   9   4.353  -0.549  -2.408
   70    HA   PHE   9           HA       PHE   9   3.548  -2.867  -0.769
   71   1HB   PHE   9          2HB       PHE   9   6.287  -1.557  -1.028
   72   2HB   PHE   9          1HB       PHE   9   5.940  -3.158  -0.387
   73    HD1  PHE   9           HD1      PHE   9   5.092  -4.956  -1.918
   74    HD2  PHE   9           HD2      PHE   9   6.293  -1.157  -3.430
   75    HE1  PHE   9           HE1      PHE   9   5.180  -5.883  -4.187
   76    HE2  PHE   9           HE2      PHE   9   6.382  -2.088  -5.694
   77    HZ   PHE   9           HZ       PHE   9   5.825  -4.452  -6.079
   78    H    GLN  10           H        GLN  10   4.119  -3.044   1.406
   79    HA   GLN  10           HA       GLN  10   3.033  -1.135   3.101
   80   1HB   GLN  10          2HB       GLN  10   5.144  -3.082   4.085
   81   2HB   GLN  10          1HB       GLN  10   3.695  -2.556   4.906
   82   1HG   GLN  10          2HG       GLN  10   3.810  -4.473   2.521
   83   2HG   GLN  10          1HG       GLN  10   3.399  -4.862   4.176
   84   1HE2  GLN  10          2HE2      GLN  10   0.594  -3.107   1.778
   85   2HE2  GLN  10          1HE2      GLN  10   2.211  -3.182   1.275
   86    H    HIS  11           H        HIS  11   6.105  -1.220   1.711
   87    HA   HIS  11           HA       HIS  11   7.321   0.687   3.621
   88   1HB   HIS  11          2HB       HIS  11   8.460  -1.490   2.665
   89   2HB   HIS  11          1HB       HIS  11   8.732  -0.520   1.228
   90    HD1  HIS  11           HD1      HIS  11  10.199   1.684   1.697
   91    HD2  HIS  11           HD2      HIS  11  10.079  -0.965   4.794
   92    HE1  HIS  11           HE1      HIS  11  12.041   2.319   3.216
   93    H    LEU  12           H        LEU  12   6.458   0.301   0.249
   94    HA   LEU  12           HA       LEU  12   7.172   3.113  -0.384
   95   1HB   LEU  12          2HB       LEU  12   6.380   0.746  -2.121
   96   2HB   LEU  12          1HB       LEU  12   6.732   2.338  -2.763
   97    HG   LEU  12           HG       LEU  12   8.762   0.938  -0.981
   98   1HD1  LEU  12          3HD1      LEU  12   8.286   0.511  -3.952
   99   2HD1  LEU  12          2HD1      LEU  12   9.839   0.195  -3.197
  100   3HD1  LEU  12          1HD1      LEU  12   8.423  -0.704  -2.691
  101   1HD2  LEU  12          3HD2      LEU  12   8.972   3.034  -3.193
  102   2HD2  LEU  12          2HD2      LEU  12   9.137   3.334  -1.470
  103   3HD2  LEU  12          1HD2      LEU  12  10.336   2.369  -2.309
  104    H    ASP  13           H        ASP  13   5.329   3.519   1.155
  105    HA   ASP  13           HA       ASP  13   2.620   3.302   0.054
  106   1HB   ASP  13          2HB       ASP  13   3.782   4.555   2.568
  107   2HB   ASP  13          1HB       ASP  13   2.078   4.676   2.157
  108    H    ASP  14           H        ASP  14   2.643   4.425  -1.820
  109    HA   ASP  14           HA       ASP  14   3.340   7.278  -1.921
  110   1HB   ASP  14          2HB       ASP  14   2.628   6.913  -4.365
  111   2HB   ASP  14          1HB       ASP  14   4.030   6.006  -3.840
  112    H    CYS  15           H        CYS  15   0.666   5.303  -1.395
  113    HA   CYS  15           HA       CYS  15  -1.565   6.534  -2.427
  114   1HB   CYS  15          2HB       CYS  15  -1.471   5.482   0.348
  115   2HB   CYS  15          1HB       CYS  15  -2.747   5.253  -0.825
  116    H    CYS  16           H        CYS  16  -3.233   7.763  -1.441
  117    HA   CYS  16           HA       CYS  16  -2.299  10.285  -0.382
  118   1HB   CYS  16          2HB       CYS  16  -4.522   9.590  -1.774
  119   2HB   CYS  16          1HB       CYS  16  -5.200   9.471  -0.178
  120    H    SER  17           H        SER  17  -3.791   7.411   0.865
  121    HA   SER  17           HA       SER  17  -4.055   8.373   3.601
  122   1HB   SER  17          2HB       SER  17  -4.918   6.071   3.972
  123   2HB   SER  17          1HB       SER  17  -5.656   6.713   2.500
  124    HG   SER  17           HG       SER  17  -4.093   5.662   1.301
  125    H    ARG  18           H        ARG  18  -1.614   7.212   1.656
  126    HA   ARG  18           HA       ARG  18   0.530   6.388   1.972
  127   1HB   ARG  18          2HB       ARG  18   0.155   7.610   4.765
  128   2HB   ARG  18          1HB       ARG  18   1.688   7.194   4.038
  129   1HG   ARG  18          2HG       ARG  18   1.794   9.269   3.154
  130   2HG   ARG  18          1HG       ARG  18   0.469   8.847   2.097
  131   1HD   ARG  18          2HD       ARG  18  -1.138   9.567   3.924
  132   2HD   ARG  18          1HD       ARG  18   0.252  10.112   4.859
  133    HE   ARG  18           HE       ARG  18   0.619  11.379   2.449
  134   1HH1  ARG  18          1HH2      ARG  18  -0.954  11.964   5.276
  135   2HH1  ARG  18          2HH2      ARG  18  -2.101  13.103   4.650
  136   1HH2  ARG  18          2HH1      ARG  18  -1.269  12.416   1.318
  137   2HH2  ARG  18          1HH1      ARG  18  -2.282  13.364   2.356
  138    H    LYS  19           H        LYS  19  -1.739   4.743   2.510
  139    HA   LYS  19           HA       LYS  19  -0.551   2.722   4.334
  140   1HB   LYS  19          2HB       LYS  19  -3.296   3.914   4.226
  141   2HB   LYS  19          1HB       LYS  19  -3.186   2.207   4.559
  142   1HG   LYS  19          2HG       LYS  19  -1.688   2.653   6.481
  143   2HG   LYS  19          1HG       LYS  19  -1.652   4.364   6.083
  144   1HD   LYS  19          2HD       LYS  19  -4.186   4.400   6.401
  145   2HD   LYS  19          1HD       LYS  19  -4.074   2.754   7.001
  146   1HE   LYS  19          2HE       LYS  19  -2.583   5.133   8.202
  147   2HE   LYS  19          1HE       LYS  19  -4.061   4.440   8.856
  148   1HZ   LYS  19          2HZ       LYS  19  -2.752   2.265   8.859
  149   2HZ   LYS  19          1HZ       LYS  19  -1.376   3.248   8.714
  150   3HZ   LYS  19          3HZ       LYS  19  -2.404   3.420  10.054
  151    H    CYS  20           H        CYS  20  -0.177   0.879   3.370
  152    HA   CYS  20           HA       CYS  20  -1.625   0.153   0.891
  153   1HB   CYS  20          2HB       CYS  20   1.230  -0.330   1.803
  154   2HB   CYS  20          1HB       CYS  20   0.521  -1.039   0.385
  155    H    ASN  21           H        ASN  21  -2.917  -1.513   1.259
  156    HA   ASN  21           HA       ASN  21  -2.926  -3.016   3.713
  157   1HB   ASN  21          2HB       ASN  21  -4.713  -4.411   2.416
  158   2HB   ASN  21          1HB       ASN  21  -5.051  -2.713   2.678
  159   1HD2  ASN  21          2HD2      ASN  21  -3.654  -3.521  -1.083
  160   2HD2  ASN  21          1HD2      ASN  21  -2.800  -4.075   0.268
  161    H    ARG  22           H        ARG  22  -3.245  -5.457   3.533
  162    HA   ARG  22           HA       ARG  22  -0.793  -6.689   3.207
  163   1HB   ARG  22          2HB       ARG  22  -2.010  -8.760   3.678
  164   2HB   ARG  22          1HB       ARG  22  -2.652  -7.460   4.654
  165   1HG   ARG  22          2HG       ARG  22  -4.449  -7.144   2.803
  166   2HG   ARG  22          1HG       ARG  22  -3.879  -8.660   2.132
  167   1HD   ARG  22          2HD       ARG  22  -5.720  -9.236   3.567
  168   2HD   ARG  22          1HD       ARG  22  -4.276  -9.681   4.471
  169    HE   ARG  22           HE       ARG  22  -5.311  -6.957   4.952
  170   1HH1  ARG  22          2HH1      ARG  22  -3.631  -8.032   6.980
  171   2HH1  ARG  22          1HH1      ARG  22  -4.712  -8.737   8.136
  172   1HH2  ARG  22          1HH2      ARG  22  -7.391  -8.810   5.877
  173   2HH2  ARG  22          2HH2      ARG  22  -6.900  -9.190   7.494
  174    H    PHE  23           H        PHE  23  -3.119  -6.057   0.758
  175    HA   PHE  23           HA       PHE  23  -2.156  -8.167  -1.046
  176   1HB   PHE  23          2HB       PHE  23  -4.234  -5.955  -1.320
  177   2HB   PHE  23          1HB       PHE  23  -3.901  -7.161  -2.546
  178    HD1  PHE  23           HD2      PHE  23  -4.092  -9.653  -1.865
  179    HD2  PHE  23           HD1      PHE  23  -5.749  -6.478   0.449
  180    HE1  PHE  23           HE2      PHE  23  -5.575 -11.242  -0.743
  181    HE2  PHE  23           HE1      PHE  23  -7.232  -8.076   1.568
  182    HZ   PHE  23           HZ       PHE  23  -7.151 -10.464   0.975
  183    H    ASN  24           H        ASN  24  -0.645  -5.721  -0.019
  184    HA   ASN  24           HA       ASN  24   0.881  -4.152  -0.745
  185   1HB   ASN  24          2HB       ASN  24   1.094  -6.181  -3.039
  186   2HB   ASN  24          1HB       ASN  24   2.287  -4.937  -2.678
  187   1HD2  ASN  24          2HD2      ASN  24   1.903  -8.110  -0.088
  188   2HD2  ASN  24          1HD2      ASN  24   0.599  -7.692  -1.089
  189    H    LYS  25           H        LYS  25  -1.713  -3.588  -1.315
  190    HA   LYS  25           HA       LYS  25  -1.519  -1.895  -3.760
  191   1HB   LYS  25          2HB       LYS  25  -3.667  -3.777  -2.789
  192   2HB   LYS  25          1HB       LYS  25  -4.189  -2.279  -3.513
  193   1HG   LYS  25          2HG       LYS  25  -2.731  -2.862  -5.526
  194   2HG   LYS  25          1HG       LYS  25  -2.346  -4.381  -4.744
  195   1HD   LYS  25          2HD       LYS  25  -5.227  -3.551  -5.256
  196   2HD   LYS  25          1HD       LYS  25  -4.285  -4.373  -6.482
  197   1HE   LYS  25          2HE       LYS  25  -3.803  -6.194  -4.728
  198   2HE   LYS  25          1HE       LYS  25  -5.016  -5.414  -3.719
  199   1HZ   LYS  25          1HZ       LYS  25  -5.461  -6.450  -6.454
  200   2HZ   LYS  25          3HZ       LYS  25  -5.946  -7.203  -5.011
  201   3HZ   LYS  25          2HZ       LYS  25  -6.629  -5.715  -5.463
  202    H    CYS  26           H        CYS  26  -2.958   0.090  -3.490
  203    HA   CYS  26           HA       CYS  26  -2.400   1.217  -0.888
  204   1HB   CYS  26          2HB       CYS  26  -3.766   2.208  -3.368
  205   2HB   CYS  26          1HB       CYS  26  -3.790   3.147  -1.912
  206    H    VAL  27           H        VAL  27  -4.056   2.563   0.130
  207    HA   VAL  27           HA       VAL  27  -6.668   1.168   0.469
  208    HB   VAL  27           HB       VAL  27  -4.886   2.245   2.706
  209   1HG1  VAL  27          2HG1      VAL  27  -7.502   0.680   2.671
  210   2HG1  VAL  27          1HG1      VAL  27  -6.484   0.739   4.098
  211   3HG1  VAL  27          3HG1      VAL  27  -7.187   2.217   3.466
  212   1HG2  VAL  27          2HG2      VAL  27  -5.332  -0.635   1.789
  213   2HG2  VAL  27          1HG2      VAL  27  -3.823   0.243   1.684
  214   3HG2  VAL  27          3HG2      VAL  27  -4.471  -0.186   3.250
   
  No H/Q in entry =         214
  Start of MODEL   17
    1   1H    CYS   1          2H        CYS   1  -1.017  12.372  -5.427
    2   2H    CYS   1          1H        CYS   1   0.157  12.883  -4.311
    3   3H    CYS   1          3H        CYS   1   0.439  11.513  -5.273
    4    HA   CYS   1           HA       CYS   1  -0.127  10.817  -3.064
    5   1HB   CYS   1          2HB       CYS   1  -1.797  11.842  -1.872
    6   2HB   CYS   1          1HB       CYS   1  -1.676  13.092  -3.055
    7    H    ARG   2           H        ARG   2  -0.210   8.771  -3.711
    8    HA   ARG   2           HA       ARG   2  -1.477   7.781  -6.045
    9   1HB   ARG   2          2HB       ARG   2   0.228   6.728  -4.041
   10   2HB   ARG   2          1HB       ARG   2  -1.196   5.711  -3.974
   11   1HG   ARG   2          2HG       ARG   2  -0.992   5.447  -6.500
   12   2HG   ARG   2          1HG       ARG   2   0.588   6.203  -6.360
   13   1HD   ARG   2          2HD       ARG   2   0.987   4.377  -4.460
   14   2HD   ARG   2          1HD       ARG   2  -0.344   3.542  -5.243
   15    HE   ARG   2           HE       ARG   2   1.001   3.553  -7.340
   16   1HH1  ARG   2          2HH1      ARG   2   3.113   5.250  -7.327
   17   2HH1  ARG   2          1HH1      ARG   2   4.443   4.431  -6.576
   18   1HH2  ARG   2          1HH2      ARG   2   2.381   2.043  -5.068
   19   2HH2  ARG   2          2HH2      ARG   2   4.019   2.570  -5.265
   20    H    ILE   3           H        ILE   3  -3.400   6.846  -6.471
   21    HA   ILE   3           HA       ILE   3  -5.624   7.435  -4.765
   22    HB   ILE   3           HB       ILE   3  -6.841   6.002  -6.549
   23   1HG1  ILE   3          2HG1      ILE   3  -4.506   6.202  -8.385
   24   2HG1  ILE   3          1HG1      ILE   3  -4.242   5.081  -7.075
   25   1HG2  ILE   3          1HG2      ILE   3  -5.145   8.381  -7.418
   26   2HG2  ILE   3          3HG2      ILE   3  -6.537   7.773  -8.299
   27   3HG2  ILE   3          2HG2      ILE   3  -6.743   8.457  -6.697
   28   1HD1  ILE   3          2HD1      ILE   3  -6.707   5.013  -8.837
   29   2HD1  ILE   3          1HD1      ILE   3  -5.271   4.034  -9.103
   30   3HD1  ILE   3          3HD1      ILE   3  -6.222   3.814  -7.643
   31    HA   HYP   4           HA       HYP   4  -5.922   3.729  -2.298
   32   1HB   HYP   4          1HB       HYP   4  -8.017   3.728  -1.395
   33   2HB   HYP   4          2HB       HYP   4  -8.773   3.374  -2.936
   34   1HD   HYP   4          1HD1      HYP   4  -7.050   7.057  -3.238
   35   2HD   HYP   4          2HD1      HYP   4  -7.956   6.316  -4.569
   36    HOD  HYP   4           HD2      HYP   4  -8.452   7.010  -1.404
   37    HG   HYP   4           HG       HYP   4  -9.487   5.637  -2.871
   38    H    ASN   5           H        ASN   5  -6.096   1.525  -2.475
   39    HA   ASN   5           HA       ASN   5  -5.964  -0.568  -3.405
   40   1HB   ASN   5          2HB       ASN   5  -7.758  -1.182  -4.694
   41   2HB   ASN   5          1HB       ASN   5  -8.314   0.432  -4.359
   42   1HD2  ASN   5          2HD2      ASN   5  -8.671  -0.283  -8.000
   43   2HD2  ASN   5          1HD2      ASN   5  -9.215  -1.033  -6.577
   44    H    GLN   6           H        GLN   6  -4.562   2.054  -4.977
   45    HA   GLN   6           HA       GLN   6  -3.530   0.673  -7.301
   46   1HB   GLN   6          2HB       GLN   6  -3.766   3.133  -7.083
   47   2HB   GLN   6          1HB       GLN   6  -2.466   3.168  -5.910
   48   1HG   GLN   6          2HG       GLN   6  -0.835   2.903  -7.540
   49   2HG   GLN   6          1HG       GLN   6  -1.776   1.734  -8.443
   50   1HE2  GLN   6          2HE2      GLN   6  -3.120   4.107 -10.669
   51   2HE2  GLN   6          1HE2      GLN   6  -3.116   2.489 -10.153
   52    H    LYS   7           H        LYS   7  -1.852  -0.603  -7.478
   53    HA   LYS   7           HA       LYS   7  -0.601  -1.948  -5.443
   54   1HB   LYS   7          2HB       LYS   7  -0.498  -2.075  -8.165
   55   2HB   LYS   7          1HB       LYS   7   1.121  -1.508  -7.857
   56   1HG   LYS   7          2HG       LYS   7  -0.127  -3.926  -6.466
   57   2HG   LYS   7          1HG       LYS   7   0.839  -4.051  -7.915
   58   1HD   LYS   7          2HD       LYS   7   1.945  -2.718  -5.402
   59   2HD   LYS   7          1HD       LYS   7   2.035  -4.446  -5.649
   60   1HE   LYS   7          2HE       LYS   7   3.364  -4.167  -7.662
   61   2HE   LYS   7          1HE       LYS   7   3.131  -2.423  -7.646
   62   1HZ   LYS   7          3HZ       LYS   7   4.464  -3.944  -5.487
   63   2HZ   LYS   7          2HZ       LYS   7   5.275  -3.140  -6.744
   64   3HZ   LYS   7          1HZ       LYS   7   4.349  -2.256  -5.629
   65    H    CYS   8           H        CYS   8   0.437  -1.175  -3.793
   66    HA   CYS   8           HA       CYS   8   2.864   0.491  -4.170
   67   1HB   CYS   8          2HB       CYS   8   2.212   1.883  -2.241
   68   2HB   CYS   8          1HB       CYS   8   1.108   2.055  -3.572
   69    H    PHE   9           H        PHE   9   4.313   0.395  -2.413
   70    HA   PHE   9           HA       PHE   9   4.350  -2.263  -1.126
   71   1HB   PHE   9          2HB       PHE   9   6.529  -0.153  -0.921
   72   2HB   PHE   9          1HB       PHE   9   6.688  -1.890  -0.766
   73    HD1  PHE   9           HD2      PHE   9   6.228   0.889  -3.147
   74    HD2  PHE   9           HD1      PHE   9   6.756  -3.324  -2.756
   75    HE1  PHE   9           HE2      PHE   9   6.696   0.725  -5.545
   76    HE2  PHE   9           HE1      PHE   9   7.222  -3.482  -5.159
   77    HZ   PHE   9           HZ       PHE   9   7.192  -1.461  -6.558
   78    H    GLN  10           H        GLN  10   4.406  -2.617   1.023
   79    HA   GLN  10           HA       GLN  10   2.982  -0.966   2.760
   80   1HB   GLN  10          2HB       GLN  10   4.916  -3.265   3.244
   81   2HB   GLN  10          1HB       GLN  10   4.123  -2.463   4.581
   82   1HG   GLN  10          2HG       GLN  10   2.670  -4.281   4.107
   83   2HG   GLN  10          1HG       GLN  10   1.885  -2.933   3.301
   84   1HE2  GLN  10          2HE2      GLN  10   2.474  -4.199   0.038
   85   2HE2  GLN  10          1HE2      GLN  10   2.006  -2.843   0.947
   86    H    HIS  11           H        HIS  11   6.331  -1.226   2.052
   87    HA   HIS  11           HA       HIS  11   7.285   0.514   4.180
   88   1HB   HIS  11          2HB       HIS  11   8.600  -1.410   3.075
   89   2HB   HIS  11          1HB       HIS  11   8.797  -0.363   1.676
   90    HD1  HIS  11           HD1      HIS  11  10.604   1.392   1.929
   91    HD2  HIS  11           HD2      HIS  11   9.737  -0.332   5.526
   92    HE1  HIS  11           HE1      HIS  11  12.287   2.240   3.525
   93    H    LEU  12           H        LEU  12   7.098   0.735   0.671
   94    HA   LEU  12           HA       LEU  12   7.419   3.698   0.793
   95   1HB   LEU  12          2HB       LEU  12   7.425   1.773  -1.567
   96   2HB   LEU  12          1HB       LEU  12   7.678   3.497  -1.686
   97    HG   LEU  12           HG       LEU  12   9.505   2.603   0.336
   98   1HD1  LEU  12          3HD1      LEU  12   9.123   0.284  -0.545
   99   2HD1  LEU  12          2HD1      LEU  12   9.627   0.826  -2.138
  100   3HD1  LEU  12          1HD1      LEU  12  10.773   0.827  -0.804
  101   1HD2  LEU  12          3HD2      LEU  12   9.984   3.304  -2.593
  102   2HD2  LEU  12          2HD2      LEU  12   9.929   4.443  -1.256
  103   3HD2  LEU  12          1HD2      LEU  12  11.226   3.263  -1.351
  104    H    ASP  13           H        ASP  13   5.245   3.302   1.902
  105    HA   ASP  13           HA       ASP  13   2.916   3.016   0.153
  106   1HB   ASP  13          2HB       ASP  13   1.685   3.655   2.340
  107   2HB   ASP  13          1HB       ASP  13   2.655   2.203   2.424
  108    H    ASP  14           H        ASP  14   3.408   4.624  -1.345
  109    HA   ASP  14           HA       ASP  14   3.528   7.435  -0.533
  110   1HB   ASP  14          2HB       ASP  14   3.990   7.786  -2.908
  111   2HB   ASP  14          1HB       ASP  14   5.015   6.504  -2.305
  112    H    CYS  15           H        CYS  15   1.078   5.605  -0.330
  113    HA   CYS  15           HA       CYS  15  -0.893   6.577  -2.152
  114   1HB   CYS  15          2HB       CYS  15  -1.330   5.468   0.619
  115   2HB   CYS  15          1HB       CYS  15  -2.454   5.469  -0.709
  116    H    CYS  16           H        CYS  16  -2.774   7.744  -1.548
  117    HA   CYS  16           HA       CYS  16  -2.135  10.343  -0.496
  118   1HB   CYS  16          2HB       CYS  16  -4.058   9.383  -2.159
  119   2HB   CYS  16          1HB       CYS  16  -4.983   9.375  -0.687
  120    H    SER  17           H        SER  17  -3.606   7.444   0.688
  121    HA   SER  17           HA       SER  17  -4.235   8.501   3.346
  122   1HB   SER  17          2HB       SER  17  -5.199   6.205   3.634
  123   2HB   SER  17          1HB       SER  17  -5.792   6.925   2.134
  124    HG   SER  17           HG       SER  17  -4.599   5.598   1.016
  125    H    ARG  18           H        ARG  18  -1.619   7.196   1.747
  126    HA   ARG  18           HA       ARG  18   0.450   6.347   2.349
  127   1HB   ARG  18          2HB       ARG  18  -0.220   7.415   5.139
  128   2HB   ARG  18          1HB       ARG  18   1.370   7.089   4.502
  129   1HG   ARG  18          2HG       ARG  18   1.476   9.233   3.817
  130   2HG   ARG  18          1HG       ARG  18   0.291   8.845   2.591
  131   1HD   ARG  18          2HD       ARG  18  -1.499   9.309   4.448
  132   2HD   ARG  18          1HD       ARG  18  -0.170  10.057   5.331
  133    HE   ARG  18           HE       ARG  18  -0.423  11.000   2.572
  134   1HH1  ARG  18          1HH2      ARG  18   0.597  12.635   4.824
  135   2HH1  ARG  18          2HH2      ARG  18  -0.720  13.711   5.147
  136   1HH2  ARG  18          2HH1      ARG  18  -3.021  11.749   3.382
  137   2HH2  ARG  18          1HH1      ARG  18  -2.818  13.196   4.310
  138    H    LYS  19           H        LYS  19  -2.014   4.755   2.697
  139    HA   LYS  19           HA       LYS  19  -1.000   2.682   4.578
  140   1HB   LYS  19          2HB       LYS  19  -3.755   3.767   4.025
  141   2HB   LYS  19          1HB       LYS  19  -3.577   2.105   4.510
  142   1HG   LYS  19          2HG       LYS  19  -2.219   4.311   6.103
  143   2HG   LYS  19          1HG       LYS  19  -3.924   3.984   6.338
  144   1HD   LYS  19          2HD       LYS  19  -3.302   1.527   6.737
  145   2HD   LYS  19          1HD       LYS  19  -1.621   2.032   6.743
  146   1HE   LYS  19          2HE       LYS  19  -2.104   3.595   8.631
  147   2HE   LYS  19          1HE       LYS  19  -3.785   3.078   8.622
  148   1HZ   LYS  19          1HZ       LYS  19  -2.860   0.761   8.932
  149   2HZ   LYS  19          3HZ       LYS  19  -1.392   1.515   9.329
  150   3HZ   LYS  19          2HZ       LYS  19  -2.781   1.819  10.257
  151    H    CYS  20           H        CYS  20  -0.418   0.877   3.582
  152    HA   CYS  20           HA       CYS  20  -1.668   0.124   1.003
  153   1HB   CYS  20          2HB       CYS  20   1.200   0.057   1.963
  154   2HB   CYS  20          1HB       CYS  20   0.668  -0.846   0.583
  155    H    ASN  21           H        ASN  21  -2.877  -1.572   1.444
  156    HA   ASN  21           HA       ASN  21  -2.696  -3.211   3.767
  157   1HB   ASN  21          2HB       ASN  21  -4.489  -4.520   2.720
  158   2HB   ASN  21          1HB       ASN  21  -4.775  -2.812   2.472
  159   1HD2  ASN  21          2HD2      ASN  21  -5.439  -4.172  -0.801
  160   2HD2  ASN  21          1HD2      ASN  21  -6.178  -3.954   0.711
  161    H    ARG  22           H        ARG  22  -2.977  -5.694   3.320
  162    HA   ARG  22           HA       ARG  22  -0.406  -6.741   2.954
  163   1HB   ARG  22          2HB       ARG  22  -1.512  -8.914   3.361
  164   2HB   ARG  22          1HB       ARG  22  -2.076  -7.699   4.487
  165   1HG   ARG  22          2HG       ARG  22  -4.137  -7.361   3.161
  166   2HG   ARG  22          1HG       ARG  22  -3.556  -8.469   1.929
  167   1HD   ARG  22          2HD       ARG  22  -5.116  -9.675   3.362
  168   2HD   ARG  22          1HD       ARG  22  -3.497 -10.301   3.665
  169    HE   ARG  22           HE       ARG  22  -4.385  -8.112   5.439
  170   1HH1  ARG  22          2HH1      ARG  22  -2.243 -10.092   6.091
  171   2HH1  ARG  22          1HH1      ARG  22  -3.044 -11.149   7.204
  172   1HH2  ARG  22          1HH2      ARG  22  -6.233 -10.026   6.289
  173   2HH2  ARG  22          2HH2      ARG  22  -5.361 -11.111   7.319
  174    H    PHE  23           H        PHE  23  -2.870  -6.102   0.685
  175    HA   PHE  23           HA       PHE  23  -1.980  -8.106  -1.270
  176   1HB   PHE  23          2HB       PHE  23  -4.098  -5.910  -1.328
  177   2HB   PHE  23          1HB       PHE  23  -3.842  -7.074  -2.606
  178    HD1  PHE  23           HD1      PHE  23  -4.044  -9.584  -2.009
  179    HD2  PHE  23           HD2      PHE  23  -5.453  -6.483   0.557
  180    HE1  PHE  23           HE1      PHE  23  -5.463 -11.197  -0.828
  181    HE2  PHE  23           HE2      PHE  23  -6.869  -8.100   1.731
  182    HZ   PHE  23           HZ       PHE  23  -6.879 -10.460   1.044
  183    H    ASN  24           H        ASN  24  -0.525  -5.615  -0.167
  184    HA   ASN  24           HA       ASN  24   0.916  -3.964  -0.891
  185   1HB   ASN  24          2HB       ASN  24   1.133  -5.993  -3.188
  186   2HB   ASN  24          1HB       ASN  24   2.267  -4.669  -2.946
  187   1HD2  ASN  24          2HD2      ASN  24   2.215  -7.732  -0.201
  188   2HD2  ASN  24          1HD2      ASN  24   0.819  -7.415  -1.111
  189    H    LYS  25           H        LYS  25  -1.658  -3.417  -1.271
  190    HA   LYS  25           HA       LYS  25  -1.643  -1.624  -3.635
  191   1HB   LYS  25          2HB       LYS  25  -3.647  -3.691  -2.747
  192   2HB   LYS  25          1HB       LYS  25  -4.262  -2.194  -3.396
  193   1HG   LYS  25          2HG       LYS  25  -2.884  -2.533  -5.461
  194   2HG   LYS  25          1HG       LYS  25  -2.228  -4.010  -4.785
  195   1HD   LYS  25          2HD       LYS  25  -4.300  -5.157  -4.928
  196   2HD   LYS  25          1HD       LYS  25  -5.227  -3.675  -5.078
  197   1HE   LYS  25          2HE       LYS  25  -4.584  -3.343  -7.335
  198   2HE   LYS  25          1HE       LYS  25  -3.189  -4.409  -7.202
  199   1HZ   LYS  25          3HZ       LYS  25  -5.894  -5.477  -6.796
  200   2HZ   LYS  25          2HZ       LYS  25  -5.298  -5.229  -8.368
  201   3HZ   LYS  25          1HZ       LYS  25  -4.483  -6.274  -7.304
  202    H    CYS  26           H        CYS  26  -2.885   0.341  -3.242
  203    HA   CYS  26           HA       CYS  26  -2.564   1.288  -0.568
  204   1HB   CYS  26          2HB       CYS  26  -3.987   2.398  -2.980
  205   2HB   CYS  26          1HB       CYS  26  -3.883   3.264  -1.482
  206    H    VAL  27           H        VAL  27  -4.293   2.436   0.532
  207    HA   VAL  27           HA       VAL  27  -6.823   0.839   0.676
  208    HB   VAL  27           HB       VAL  27  -5.287   2.120   2.990
  209   1HG1  VAL  27          3HG1      VAL  27  -7.800   0.404   2.855
  210   2HG1  VAL  27          2HG1      VAL  27  -6.878   0.585   4.338
  211   3HG1  VAL  27          1HG1      VAL  27  -7.620   1.987   3.596
  212   1HG2  VAL  27          2HG2      VAL  27  -5.450  -0.770   2.027
  213   2HG2  VAL  27          1HG2      VAL  27  -4.001   0.208   2.169
  214   3HG2  VAL  27          3HG2      VAL  27  -4.836  -0.329   3.613
   
  No H/Q in entry =         214
  Start of MODEL   18
    1   1H    CYS   1          1H        CYS   1   0.306  11.595  -5.092
    2   2H    CYS   1          3H        CYS   1  -1.011  12.667  -5.013
    3   3H    CYS   1          2H        CYS   1   0.289  12.836  -3.933
    4    HA   CYS   1           HA       CYS   1  -0.235  10.734  -2.901
    5   1HB   CYS   1          2HB       CYS   1  -1.789  11.796  -1.574
    6   2HB   CYS   1          1HB       CYS   1  -1.589  13.129  -2.650
    7    H    ARG   2           H        ARG   2  -0.549   8.763  -3.751
    8    HA   ARG   2           HA       ARG   2  -2.167   8.295  -6.119
    9   1HB   ARG   2          2HB       ARG   2  -0.704   6.399  -4.241
   10   2HB   ARG   2          1HB       ARG   2  -1.529   5.876  -5.694
   11   1HG   ARG   2          2HG       ARG   2  -0.003   7.945  -6.699
   12   2HG   ARG   2          1HG       ARG   2   1.021   7.412  -5.383
   13   1HD   ARG   2          2HD       ARG   2   1.756   6.021  -7.137
   14   2HD   ARG   2          1HD       ARG   2   0.536   4.984  -6.406
   15    HE   ARG   2           HE       ARG   2  -1.005   6.263  -8.180
   16   1HH1  ARG   2          2HH1      ARG   2   1.463   7.246  -9.571
   17   2HH1  ARG   2          1HH1      ARG   2   1.692   6.042 -10.794
   18   1HH2  ARG   2          1HH2      ARG   2  -0.442   3.751  -9.234
   19   2HH2  ARG   2          2HH2      ARG   2   0.589   4.018 -10.598
   20    H    ILE   3           H        ILE   3  -3.926   6.881  -6.335
   21    HA   ILE   3           HA       ILE   3  -5.981   7.245  -4.370
   22    HB   ILE   3           HB       ILE   3  -7.228   5.633  -5.997
   23   1HG1  ILE   3          2HG1      ILE   3  -4.956   6.135  -7.902
   24   2HG1  ILE   3          1HG1      ILE   3  -4.824   4.778  -6.799
   25   1HG2  ILE   3          3HG2      ILE   3  -5.942   8.188  -7.049
   26   2HG2  ILE   3          2HG2      ILE   3  -7.356   7.417  -7.751
   27   3HG2  ILE   3          1HG2      ILE   3  -7.437   8.091  -6.133
   28   1HD1  ILE   3          1HD1      ILE   3  -7.317   5.154  -8.463
   29   2HD1  ILE   3          3HD1      ILE   3  -5.899   4.341  -9.104
   30   3HD1  ILE   3          2HD1      ILE   3  -6.715   3.691  -7.690
   31    HA   HYP   4           HA       HYP   4  -6.012   3.275  -2.136
   32   1HB   HYP   4          1HB       HYP   4  -8.166   2.895  -1.456
   33   2HB   HYP   4          2HB       HYP   4  -8.754   2.753  -3.100
   34   1HD   HYP   4          1HD1      HYP   4  -7.362   6.556  -2.664
   35   2HD   HYP   4          2HD1      HYP   4  -8.140   5.995  -4.148
   36    HOD  HYP   4           HD2      HYP   4  -8.043   6.025  -1.011
   37    HG   HYP   4           HG       HYP   4  -9.694   4.893  -2.747
   38    H    ASN   5           H        ASN   5  -6.406   1.007  -2.574
   39    HA   ASN   5           HA       ASN   5  -5.866  -0.911  -3.694
   40   1HB   ASN   5          2HB       ASN   5  -7.262  -1.440  -5.572
   41   2HB   ASN   5          1HB       ASN   5  -8.194  -0.356  -4.561
   42   1HD2  ASN   5          2HD2      ASN   5  -8.649   1.981  -7.128
   43   2HD2  ASN   5          1HD2      ASN   5  -9.096   1.420  -5.589
   44    H    GLN   6           H        GLN   6  -4.394   1.832  -4.754
   45    HA   GLN   6           HA       GLN   6  -3.199   0.966  -7.216
   46   1HB   GLN   6          2HB       GLN   6  -3.338   3.380  -6.023
   47   2HB   GLN   6          1HB       GLN   6  -1.781   2.910  -5.385
   48   1HG   GLN   6          2HG       GLN   6  -1.022   3.808  -7.347
   49   2HG   GLN   6          1HG       GLN   6  -1.373   2.216  -7.986
   50   1HE2  GLN   6          2HE2      GLN   6  -3.532   5.402  -9.220
   51   2HE2  GLN   6          1HE2      GLN   6  -2.266   5.561  -8.102
   52    H    LYS   7           H        LYS   7  -1.598  -0.412  -7.533
   53    HA   LYS   7           HA       LYS   7  -0.501  -2.083  -5.579
   54   1HB   LYS   7          2HB       LYS   7  -0.518  -2.529  -8.035
   55   2HB   LYS   7          1HB       LYS   7   0.746  -1.338  -8.255
   56   1HG   LYS   7          2HG       LYS   7   2.031  -3.287  -8.119
   57   2HG   LYS   7          1HG       LYS   7   2.056  -2.807  -6.438
   58   1HD   LYS   7          2HD       LYS   7   0.105  -4.322  -5.998
   59   2HD   LYS   7          1HD       LYS   7   0.141  -4.824  -7.678
   60   1HE   LYS   7          2HE       LYS   7   1.870  -6.268  -7.311
   61   2HE   LYS   7          1HE       LYS   7   2.812  -5.065  -6.449
   62   1HZ   LYS   7          3HZ       LYS   7   0.842  -5.627  -4.709
   63   2HZ   LYS   7          2HZ       LYS   7   1.123  -7.137  -5.432
   64   3HZ   LYS   7          1HZ       LYS   7   2.400  -6.298  -4.691
   65    H    CYS   8           H        CYS   8   0.387  -1.189  -3.851
   66    HA   CYS   8           HA       CYS   8   3.017   0.187  -4.129
   67   1HB   CYS   8          2HB       CYS   8   2.410   1.690  -2.292
   68   2HB   CYS   8          1HB       CYS   8   1.362   1.915  -3.662
   69    H    PHE   9           H        PHE   9   4.497  -0.550  -2.740
   70    HA   PHE   9           HA       PHE   9   3.775  -2.897  -1.098
   71   1HB   PHE   9          2HB       PHE   9   6.513  -1.665  -1.630
   72   2HB   PHE   9          1HB       PHE   9   6.206  -3.252  -0.949
   73    HD1  PHE   9           HD1      PHE   9   5.708  -1.204  -4.043
   74    HD2  PHE   9           HD2      PHE   9   5.788  -5.131  -2.384
   75    HE1  PHE   9           HE1      PHE   9   5.585  -2.155  -6.292
   76    HE2  PHE   9           HE2      PHE   9   5.665  -6.076  -4.644
   77    HZ   PHE   9           HZ       PHE   9   5.563  -4.593  -6.602
   78    H    GLN  10           H        GLN  10   4.338  -3.090   1.030
   79    HA   GLN  10           HA       GLN  10   3.536  -1.146   2.799
   80   1HB   GLN  10          2HB       GLN  10   5.606  -3.214   3.586
   81   2HB   GLN  10          1HB       GLN  10   4.276  -2.597   4.543
   82   1HG   GLN  10          2HG       GLN  10   4.179  -4.595   2.256
   83   2HG   GLN  10          1HG       GLN  10   3.549  -4.770   3.884
   84   1HE2  GLN  10          2HE2      GLN  10   1.068  -3.527   1.049
   85   2HE2  GLN  10          1HE2      GLN  10   2.553  -4.294   0.751
   86    H    HIS  11           H        HIS  11   6.558  -1.251   1.254
   87    HA   HIS  11           HA       HIS  11   7.942   0.439   3.245
   88   1HB   HIS  11          2HB       HIS  11   8.808  -0.732   0.562
   89   2HB   HIS  11          1HB       HIS  11   9.846   0.274   1.565
   90    HD1  HIS  11           HD1      HIS  11  11.101  -1.004   3.303
   91    HD2  HIS  11           HD2      HIS  11   7.903  -3.186   2.005
   92    HE1  HIS  11           HE1      HIS  11  11.277  -3.209   4.393
   93    H    LEU  12           H        LEU  12   7.158   0.565  -0.188
   94    HA   LEU  12           HA       LEU  12   7.322   3.531  -0.167
   95   1HB   LEU  12          2HB       LEU  12   7.158   3.294  -2.651
   96   2HB   LEU  12          1HB       LEU  12   8.545   2.498  -1.960
   97    HG   LEU  12           HG       LEU  12   6.166   0.701  -2.178
   98   1HD1  LEU  12          2HD1      LEU  12   7.149   2.238  -4.563
   99   2HD1  LEU  12          1HD1      LEU  12   6.951   0.513  -4.794
  100   3HD1  LEU  12          3HD1      LEU  12   5.586   1.488  -4.277
  101   1HD2  LEU  12          1HD2      LEU  12   9.066   0.497  -3.111
  102   2HD2  LEU  12          3HD2      LEU  12   8.436  -0.113  -1.590
  103   3HD2  LEU  12          2HD2      LEU  12   7.916  -0.826  -3.106
  104    H    ASP  13           H        ASP  13   5.382   3.221   1.259
  105    HA   ASP  13           HA       ASP  13   2.807   2.838  -0.118
  106   1HB   ASP  13          2HB       ASP  13   1.992   3.676   2.297
  107   2HB   ASP  13          1HB       ASP  13   2.661   2.069   2.133
  108    H    ASP  14           H        ASP  14   3.231   4.428  -1.666
  109    HA   ASP  14           HA       ASP  14   3.350   7.263  -0.921
  110   1HB   ASP  14          2HB       ASP  14   3.437   7.465  -3.493
  111   2HB   ASP  14          1HB       ASP  14   4.767   6.613  -2.737
  112    H    CYS  15           H        CYS  15   0.936   5.532  -0.440
  113    HA   CYS  15           HA       CYS  15  -1.153   6.431  -2.207
  114   1HB   CYS  15          2HB       CYS  15  -1.440   5.390   0.604
  115   2HB   CYS  15          1HB       CYS  15  -2.592   5.275  -0.691
  116    H    CYS  16           H        CYS  16  -2.995   7.683  -1.472
  117    HA   CYS  16           HA       CYS  16  -2.172  10.236  -0.384
  118   1HB   CYS  16          2HB       CYS  16  -4.219   9.489  -2.010
  119   2HB   CYS  16          1HB       CYS  16  -5.085   9.441  -0.499
  120    H    SER  17           H        SER  17  -3.747   7.364   0.710
  121    HA   SER  17           HA       SER  17  -4.353   8.297   3.399
  122   1HB   SER  17          2HB       SER  17  -5.087   5.910   3.672
  123   2HB   SER  17          1HB       SER  17  -5.721   6.537   2.146
  124    HG   SER  17           HG       SER  17  -4.593   4.513   1.959
  125    H    ARG  18           H        ARG  18  -1.707   7.241   1.672
  126    HA   ARG  18           HA       ARG  18   0.469   6.671   2.130
  127   1HB   ARG  18          2HB       ARG  18  -0.411   8.478   4.239
  128   2HB   ARG  18          1HB       ARG  18   0.637   7.298   4.983
  129   1HG   ARG  18          2HG       ARG  18   1.405   8.739   2.413
  130   2HG   ARG  18          1HG       ARG  18   1.718   9.437   3.989
  131   1HD   ARG  18          2HD       ARG  18   3.305   7.809   4.564
  132   2HD   ARG  18          1HD       ARG  18   2.596   6.603   3.499
  133    HE   ARG  18           HE       ARG  18   3.580   7.812   1.580
  134   1HH1  ARG  18          2HH1      ARG  18   4.219  10.414   2.278
  135   2HH1  ARG  18          1HH1      ARG  18   5.853  10.385   2.851
  136   1HH2  ARG  18          1HH2      ARG  18   5.805   6.918   3.386
  137   2HH2  ARG  18          2HH2      ARG  18   6.777   8.349   3.497
  138    H    LYS  19           H        LYS  19  -1.843   4.859   2.718
  139    HA   LYS  19           HA       LYS  19  -0.375   2.817   4.299
  140   1HB   LYS  19          2HB       LYS  19  -3.198   3.819   4.452
  141   2HB   LYS  19          1HB       LYS  19  -2.904   2.135   4.780
  142   1HG   LYS  19          2HG       LYS  19  -1.454   2.642   6.636
  143   2HG   LYS  19          1HG       LYS  19  -1.273   4.316   6.137
  144   1HD   LYS  19          2HD       LYS  19  -3.774   4.618   6.549
  145   2HD   LYS  19          1HD       LYS  19  -3.791   3.005   7.238
  146   1HE   LYS  19          2HE       LYS  19  -3.485   4.405   9.132
  147   2HE   LYS  19          1HE       LYS  19  -1.846   3.883   8.775
  148   1HZ   LYS  19          3HZ       LYS  19  -2.998   6.373   7.678
  149   2HZ   LYS  19          2HZ       LYS  19  -2.180   6.314   9.165
  150   3HZ   LYS  19          1HZ       LYS  19  -1.366   5.907   7.732
  151    H    CYS  20           H        CYS  20  -0.224   0.866   3.421
  152    HA   CYS  20           HA       CYS  20  -1.747   0.240   0.970
  153   1HB   CYS  20          2HB       CYS  20   1.121  -0.361   1.765
  154   2HB   CYS  20          1HB       CYS  20   0.339  -1.007   0.359
  155    H    ASN  21           H        ASN  21  -2.921  -1.608   1.186
  156    HA   ASN  21           HA       ASN  21  -2.831  -3.045   3.720
  157   1HB   ASN  21          2HB       ASN  21  -4.818  -4.205   2.886
  158   2HB   ASN  21          1HB       ASN  21  -4.955  -2.500   2.508
  159   1HD2  ASN  21          2HD2      ASN  21  -4.537  -2.983  -1.004
  160   2HD2  ASN  21          1HD2      ASN  21  -4.253  -1.860   0.237
  161    H    ARG  22           H        ARG  22  -3.424  -5.523   3.224
  162    HA   ARG  22           HA       ARG  22  -1.043  -6.901   3.054
  163   1HB   ARG  22          2HB       ARG  22  -2.541  -8.934   2.946
  164   2HB   ARG  22          1HB       ARG  22  -2.881  -7.814   4.246
  165   1HG   ARG  22          2HG       ARG  22  -4.844  -6.971   3.192
  166   2HG   ARG  22          1HG       ARG  22  -4.374  -7.556   1.611
  167   1HD   ARG  22          2HD       ARG  22  -6.181  -8.964   2.577
  168   2HD   ARG  22          1HD       ARG  22  -4.709  -9.902   2.352
  169    HE   ARG  22           HE       ARG  22  -4.457 -10.026   4.710
  170   1HH1  ARG  22          1HH2      ARG  22  -5.100  -7.138   5.249
  171   2HH1  ARG  22          2HH2      ARG  22  -6.565  -7.260   6.168
  172   1HH2  ARG  22          2HH1      ARG  22  -7.127 -10.581   5.201
  173   2HH2  ARG  22          1HH1      ARG  22  -7.740  -9.261   6.140
  174    H    PHE  23           H        PHE  23  -3.177  -6.176   0.372
  175    HA   PHE  23           HA       PHE  23  -1.875  -8.140  -1.380
  176   1HB   PHE  23          2HB       PHE  23  -3.992  -6.029  -1.951
  177   2HB   PHE  23          1HB       PHE  23  -3.539  -7.349  -3.001
  178    HD1  PHE  23           HD1      PHE  23  -3.464  -9.724  -1.345
  179    HD2  PHE  23           HD2      PHE  23  -6.132  -6.403  -1.093
  180    HE1  PHE  23           HE1      PHE  23  -5.143 -11.145  -0.267
  181    HE2  PHE  23           HE2      PHE  23  -7.801  -7.834  -0.016
  182    HZ   PHE  23           HZ       PHE  23  -7.314 -10.207   0.399
  183    H    ASN  24           H        ASN  24  -0.585  -5.660  -0.154
  184    HA   ASN  24           HA       ASN  24   0.879  -3.952  -0.761
  185   1HB   ASN  24          2HB       ASN  24   1.300  -6.071  -2.915
  186   2HB   ASN  24          1HB       ASN  24   2.312  -4.630  -2.841
  187   1HD2  ASN  24          2HD2      ASN  24   2.561  -7.441   0.143
  188   2HD2  ASN  24          1HD2      ASN  24   1.153  -7.343  -0.801
  189    H    LYS  25           H        LYS  25  -1.631  -3.484  -1.282
  190    HA   LYS  25           HA       LYS  25  -1.670  -1.823  -3.751
  191   1HB   LYS  25          2HB       LYS  25  -3.678  -3.700  -2.516
  192   2HB   LYS  25          1HB       LYS  25  -4.290  -2.240  -3.256
  193   1HG   LYS  25          2HG       LYS  25  -2.922  -2.900  -5.347
  194   2HG   LYS  25          1HG       LYS  25  -2.637  -4.441  -4.559
  195   1HD   LYS  25          2HD       LYS  25  -4.991  -4.965  -4.496
  196   2HD   LYS  25          1HD       LYS  25  -5.441  -3.331  -4.947
  197   1HE   LYS  25          2HE       LYS  25  -4.239  -3.699  -7.162
  198   2HE   LYS  25          1HE       LYS  25  -4.060  -5.390  -6.706
  199   1HZ   LYS  25          2HZ       LYS  25  -6.694  -4.084  -6.631
  200   2HZ   LYS  25          1HZ       LYS  25  -6.068  -4.697  -8.086
  201   3HZ   LYS  25          3HZ       LYS  25  -6.319  -5.734  -6.764
  202    H    CYS  26           H        CYS  26  -3.150   0.146  -3.349
  203    HA   CYS  26           HA       CYS  26  -2.432   1.269  -0.756
  204   1HB   CYS  26          2HB       CYS  26  -3.769   2.292  -3.222
  205   2HB   CYS  26          1HB       CYS  26  -3.828   3.235  -1.772
  206    H    VAL  27           H        VAL  27  -4.090   2.709   0.244
  207    HA   VAL  27           HA       VAL  27  -6.640   1.242   0.761
  208    HB   VAL  27           HB       VAL  27  -4.785   2.681   2.731
  209   1HG1  VAL  27          2HG1      VAL  27  -7.521   1.403   3.131
  210   2HG1  VAL  27          1HG1      VAL  27  -6.395   1.635   4.458
  211   3HG1  VAL  27          3HG1      VAL  27  -7.007   3.024   3.583
  212   1HG2  VAL  27          3HG2      VAL  27  -3.972   0.428   2.013
  213   2HG2  VAL  27          2HG2      VAL  27  -4.482   0.393   3.688
  214   3HG2  VAL  27          1HG2      VAL  27  -5.525  -0.268   2.440
   
  No H/Q in entry =         214
  Start of MODEL   19
    1   1H    CYS   1          3H        CYS   1   0.404  11.866  -4.952
    2   2H    CYS   1          2H        CYS   1  -0.917  12.931  -4.849
    3   3H    CYS   1          1H        CYS   1   0.384  13.081  -3.766
    4    HA   CYS   1           HA       CYS   1  -0.128  10.935  -2.802
    5   1HB   CYS   1          2HB       CYS   1  -1.649  11.964  -1.419
    6   2HB   CYS   1          1HB       CYS   1  -1.451  13.327  -2.458
    7    H    ARG   2           H        ARG   2  -0.572   8.977  -3.621
    8    HA   ARG   2           HA       ARG   2  -2.117   8.603  -6.047
    9   1HB   ARG   2          2HB       ARG   2  -0.554   6.816  -4.201
   10   2HB   ARG   2          1HB       ARG   2  -1.636   6.064  -5.344
   11   1HG   ARG   2          2HG       ARG   2   0.276   8.209  -6.313
   12   2HG   ARG   2          1HG       ARG   2   0.883   6.598  -6.021
   13   1HD   ARG   2          2HD       ARG   2  -1.528   6.244  -7.540
   14   2HD   ARG   2          1HD       ARG   2  -0.645   7.560  -8.297
   15    HE   ARG   2           HE       ARG   2   0.748   4.999  -7.655
   16   1HH1  ARG   2          1HH2      ARG   2   2.530   6.622  -9.012
   17   2HH1  ARG   2          2HH2      ARG   2   2.224   6.386 -10.700
   18   1HH2  ARG   2          2HH1      ARG   2  -0.948   5.015 -10.146
   19   2HH2  ARG   2          1HH1      ARG   2   0.211   5.454 -11.357
   20    H    ILE   3           H        ILE   3  -3.668   6.864  -6.275
   21    HA   ILE   3           HA       ILE   3  -5.946   7.305  -4.539
   22    HB   ILE   3           HB       ILE   3  -7.026   5.705  -6.243
   23   1HG1  ILE   3          2HG1      ILE   3  -4.964   6.148  -8.291
   24   2HG1  ILE   3          1HG1      ILE   3  -4.285   5.233  -6.972
   25   1HG2  ILE   3          2HG2      ILE   3  -5.696   8.266  -7.204
   26   2HG2  ILE   3          1HG2      ILE   3  -7.037   7.474  -8.017
   27   3HG2  ILE   3          3HG2      ILE   3  -7.259   8.144  -6.410
   28   1HD1  ILE   3          3HD1      ILE   3  -6.951   4.241  -7.801
   29   2HD1  ILE   3          2HD1      ILE   3  -5.717   4.142  -9.042
   30   3HD1  ILE   3          1HD1      ILE   3  -5.457   3.368  -7.494
   31    HA   HYP   4           HA       HYP   4  -6.019   3.349  -2.250
   32   1HB   HYP   4          1HB       HYP   4  -8.196   3.017  -1.608
   33   2HB   HYP   4          2HB       HYP   4  -8.793   3.062  -3.257
   34   1HD   HYP   4          1HD1      HYP   4  -7.120   6.698  -2.671
   35   2HD   HYP   4          2HD1      HYP   4  -7.996   6.242  -4.141
   36    HOD  HYP   4           HD2      HYP   4  -8.365   6.309  -0.945
   37    HG   HYP   4           HG       HYP   4  -9.564   5.237  -2.638
   38    H    ASN   5           H        ASN   5  -6.260   1.125  -2.724
   39    HA   ASN   5           HA       ASN   5  -5.981  -0.815  -3.926
   40   1HB   ASN   5          2HB       ASN   5  -7.503  -1.172  -5.616
   41   2HB   ASN   5          1HB       ASN   5  -8.127   0.378  -5.110
   42   1HD2  ASN   5          2HD2      ASN   5  -7.579   1.844  -8.247
   43   2HD2  ASN   5          1HD2      ASN   5  -8.325   1.926  -6.724
   44    H    GLN   6           H        GLN   6  -4.499   2.039  -5.009
   45    HA   GLN   6           HA       GLN   6  -3.020   1.228  -7.257
   46   1HB   GLN   6          2HB       GLN   6  -3.116   3.547  -6.478
   47   2HB   GLN   6          1HB       GLN   6  -2.321   3.131  -4.986
   48   1HG   GLN   6          2HG       GLN   6  -0.652   4.149  -6.389
   49   2HG   GLN   6          1HG       GLN   6  -0.265   2.441  -6.348
   50   1HE2  GLN   6          2HE2      GLN   6  -2.120   3.766  -9.780
   51   2HE2  GLN   6          1HE2      GLN   6  -2.679   4.318  -8.275
   52    H    LYS   7           H        LYS   7  -1.641  -0.367  -7.490
   53    HA   LYS   7           HA       LYS   7  -0.679  -2.052  -5.448
   54   1HB   LYS   7          2HB       LYS   7  -0.847  -2.486  -7.987
   55   2HB   LYS   7          1HB       LYS   7   0.674  -1.639  -8.149
   56   1HG   LYS   7          2HG       LYS   7   1.170  -4.000  -8.027
   57   2HG   LYS   7          1HG       LYS   7   1.699  -3.297  -6.516
   58   1HD   LYS   7          2HD       LYS   7   0.271  -4.593  -5.307
   59   2HD   LYS   7          1HD       LYS   7  -1.107  -4.152  -6.297
   60   1HE   LYS   7          2HE       LYS   7  -0.662  -5.937  -7.838
   61   2HE   LYS   7          1HE       LYS   7   0.946  -6.210  -7.173
   62   1HZ   LYS   7          3HZ       LYS   7  -0.274  -6.679  -5.011
   63   2HZ   LYS   7          2HZ       LYS   7  -1.670  -6.822  -5.968
   64   3HZ   LYS   7          1HZ       LYS   7  -0.346  -7.854  -6.235
   65    H    CYS   8           H        CYS   8   0.314  -1.103  -3.824
   66    HA   CYS   8           HA       CYS   8   2.948   0.241  -4.266
   67   1HB   CYS   8          2HB       CYS   8   2.392   1.590  -2.240
   68   2HB   CYS   8          1HB       CYS   8   1.381   1.902  -3.624
   69    H    PHE   9           H        PHE   9   4.521  -0.127  -2.638
   70    HA   PHE   9           HA       PHE   9   4.198  -2.763  -1.334
   71   1HB   PHE   9          2HB       PHE   9   6.302  -2.316  -2.567
   72   2HB   PHE   9          1HB       PHE   9   6.605  -0.897  -1.579
   73    HD1  PHE   9           HD1      PHE   9   5.591  -4.442  -0.782
   74    HD2  PHE   9           HD2      PHE   9   8.365  -1.286  -0.098
   75    HE1  PHE   9           HE1      PHE   9   6.759  -5.825   0.868
   76    HE2  PHE   9           HE2      PHE   9   9.533  -2.672   1.550
   77    HZ   PHE   9           HZ       PHE   9   8.735  -4.944   2.039
   78    H    GLN  10           H        GLN  10   4.498  -3.083   0.813
   79    HA   GLN  10           HA       GLN  10   3.138  -1.597   2.653
   80   1HB   GLN  10          2HB       GLN  10   5.580  -3.321   3.220
   81   2HB   GLN  10          1HB       GLN  10   4.324  -2.930   4.377
   82   1HG   GLN  10          2HG       GLN  10   2.940  -3.990   2.105
   83   2HG   GLN  10          1HG       GLN  10   4.365  -4.997   2.278
   84   1HE2  GLN  10          2HE2      GLN  10   1.364  -5.233   5.001
   85   2HE2  GLN  10          1HE2      GLN  10   1.317  -4.086   3.750
   86    H    HIS  11           H        HIS  11   6.533  -1.248   1.865
   87    HA   HIS  11           HA       HIS  11   6.921   0.899   3.866
   88   1HB   HIS  11          2HB       HIS  11   8.822  -0.406   1.870
   89   2HB   HIS  11          1HB       HIS  11   9.287   0.909   2.931
   90    HD1  HIS  11           HD1      HIS  11  10.406  -0.004   4.921
   91    HD2  HIS  11           HD2      HIS  11   7.510  -2.599   3.695
   92    HE1  HIS  11           HE1      HIS  11  10.457  -1.898   6.500
   93    H    LEU  12           H        LEU  12   6.811   0.444   0.392
   94    HA   LEU  12           HA       LEU  12   7.180   3.335  -0.147
   95   1HB   LEU  12          2HB       LEU  12   6.617   1.111  -2.152
   96   2HB   LEU  12          1HB       LEU  12   7.286   2.686  -2.488
   97    HG   LEU  12           HG       LEU  12   8.721   0.663  -0.702
   98   1HD1  LEU  12          3HD1      LEU  12   8.415  -0.247  -3.016
   99   2HD1  LEU  12          2HD1      LEU  12   9.159   1.204  -3.668
  100   3HD1  LEU  12          1HD1      LEU  12  10.097   0.106  -2.667
  101   1HD2  LEU  12          1HD2      LEU  12   9.585   3.242  -2.068
  102   2HD2  LEU  12          3HD2      LEU  12   9.519   2.923  -0.341
  103   3HD2  LEU  12          2HD2      LEU  12  10.705   2.103  -1.338
  104    H    ASP  13           H        ASP  13   5.107   3.328   1.294
  105    HA   ASP  13           HA       ASP  13   2.621   2.931  -0.207
  106   1HB   ASP  13          2HB       ASP  13   1.717   4.250   1.938
  107   2HB   ASP  13          1HB       ASP  13   2.197   2.576   2.082
  108    H    ASP  14           H        ASP  14   2.543   4.194  -1.873
  109    HA   ASP  14           HA       ASP  14   3.175   7.063  -1.803
  110   1HB   ASP  14          2HB       ASP  14   2.439   6.786  -4.294
  111   2HB   ASP  14          1HB       ASP  14   3.928   6.012  -3.790
  112    H    CYS  15           H        CYS  15   0.531   5.111  -1.209
  113    HA   CYS  15           HA       CYS  15  -1.704   6.342  -2.305
  114   1HB   CYS  15          2HB       CYS  15  -1.629   5.401   0.509
  115   2HB   CYS  15          1HB       CYS  15  -2.904   5.141  -0.663
  116    H    CYS  16           H        CYS  16  -3.182   7.872  -1.536
  117    HA   CYS  16           HA       CYS  16  -2.034  10.252  -0.442
  118   1HB   CYS  16          2HB       CYS  16  -4.309   9.742  -1.823
  119   2HB   CYS  16          1HB       CYS  16  -5.001   9.737  -0.228
  120    H    SER  17           H        SER  17  -3.961   7.657   0.882
  121    HA   SER  17           HA       SER  17  -4.054   8.675   3.592
  122   1HB   SER  17          2HB       SER  17  -5.160   6.493   4.027
  123   2HB   SER  17          1HB       SER  17  -5.820   7.157   2.532
  124    HG   SER  17           HG       SER  17  -4.986   4.912   2.497
  125    H    ARG  18           H        ARG  18  -1.742   7.218   1.712
  126    HA   ARG  18           HA       ARG  18   0.340   6.307   2.049
  127   1HB   ARG  18          2HB       ARG  18  -0.091   8.187   4.212
  128   2HB   ARG  18          1HB       ARG  18   0.671   6.796   4.936
  129   1HG   ARG  18          2HG       ARG  18   2.654   7.594   4.206
  130   2HG   ARG  18          1HG       ARG  18   2.175   7.191   2.574
  131   1HD   ARG  18          2HD       ARG  18   1.589   9.855   3.935
  132   2HD   ARG  18          1HD       ARG  18   2.864   9.568   2.754
  133    HE   ARG  18           HE       ARG  18  -0.052   9.254   2.126
  134   1HH1  ARG  18          1HH2      ARG  18   2.074   8.175   0.265
  135   2HH1  ARG  18          2HH2      ARG  18   2.217   9.463  -0.886
  136   1HH2  ARG  18          2HH1      ARG  18   0.573  11.759   1.195
  137   2HH2  ARG  18          1HH1      ARG  18   1.341  11.551  -0.344
  138    H    LYS  19           H        LYS  19  -2.219   4.857   2.762
  139    HA   LYS  19           HA       LYS  19  -1.131   2.691   4.477
  140   1HB   LYS  19          2HB       LYS  19  -3.914   3.665   3.844
  141   2HB   LYS  19          1HB       LYS  19  -3.625   2.087   4.531
  142   1HG   LYS  19          2HG       LYS  19  -2.784   2.967   6.561
  143   2HG   LYS  19          1HG       LYS  19  -2.353   4.505   5.833
  144   1HD   LYS  19          2HD       LYS  19  -4.813   5.000   5.537
  145   2HD   LYS  19          1HD       LYS  19  -5.184   3.516   6.393
  146   1HE   LYS  19          2HE       LYS  19  -3.437   5.702   7.605
  147   2HE   LYS  19          1HE       LYS  19  -5.180   5.650   7.819
  148   1HZ   LYS  19          1HZ       LYS  19  -4.852   3.324   8.640
  149   2HZ   LYS  19          3HZ       LYS  19  -3.188   3.657   8.693
  150   3HZ   LYS  19          2HZ       LYS  19  -4.264   4.558   9.647
  151    H    CYS  20           H        CYS  20  -0.477   0.933   3.464
  152    HA   CYS  20           HA       CYS  20  -1.777   0.085   0.940
  153   1HB   CYS  20          2HB       CYS  20   1.121   0.007   1.849
  154   2HB   CYS  20          1HB       CYS  20   0.529  -0.878   0.483
  155    H    ASN  21           H        ASN  21  -2.932  -1.652   1.437
  156    HA   ASN  21           HA       ASN  21  -2.651  -3.186   3.829
  157   1HB   ASN  21          2HB       ASN  21  -4.466  -4.547   2.904
  158   2HB   ASN  21          1HB       ASN  21  -4.771  -2.853   2.581
  159   1HD2  ASN  21          2HD2      ASN  21  -5.546  -4.353  -0.595
  160   2HD2  ASN  21          1HD2      ASN  21  -6.225  -4.084   0.937
  161    H    ARG  22           H        ARG  22  -2.906  -5.687   3.478
  162    HA   ARG  22           HA       ARG  22  -0.335  -6.725   3.110
  163   1HB   ARG  22          2HB       ARG  22  -1.588  -8.962   3.363
  164   2HB   ARG  22          1HB       ARG  22  -1.736  -7.813   4.673
  165   1HG   ARG  22          2HG       ARG  22  -3.968  -7.400   4.281
  166   2HG   ARG  22          1HG       ARG  22  -3.824  -7.547   2.543
  167   1HD   ARG  22          2HD       ARG  22  -3.548 -10.074   2.887
  168   2HD   ARG  22          1HD       ARG  22  -3.987  -9.804   4.573
  169    HE   ARG  22           HE       ARG  22  -5.771  -9.034   2.288
  170   1HH1  ARG  22          2HH1      ARG  22  -6.221  -8.281   5.239
  171   2HH1  ARG  22          1HH1      ARG  22  -7.415  -9.452   5.689
  172   1HH2  ARG  22          1HH2      ARG  22  -6.814 -11.445   2.871
  173   2HH2  ARG  22          2HH2      ARG  22  -7.759 -11.289   4.314
  174    H    PHE  23           H        PHE  23  -2.834  -6.202   0.872
  175    HA   PHE  23           HA       PHE  23  -1.898  -8.205  -1.093
  176   1HB   PHE  23          2HB       PHE  23  -4.220  -6.275  -0.857
  177   2HB   PHE  23          1HB       PHE  23  -3.772  -6.824  -2.453
  178    HD1  PHE  23           HD1      PHE  23  -3.655  -8.819   0.740
  179    HD2  PHE  23           HD2      PHE  23  -5.575  -8.228  -3.024
  180    HE1  PHE  23           HE1      PHE  23  -4.942 -10.872   1.070
  181    HE2  PHE  23           HE2      PHE  23  -6.858 -10.288  -2.682
  182    HZ   PHE  23           HZ       PHE  23  -6.546 -11.614  -0.635
  183    H    ASN  24           H        ASN  24  -0.527  -5.650  -0.021
  184    HA   ASN  24           HA       ASN  24   0.849  -3.953  -0.756
  185   1HB   ASN  24          2HB       ASN  24   1.134  -6.003  -3.022
  186   2HB   ASN  24          1HB       ASN  24   2.198  -4.613  -2.843
  187   1HD2  ASN  24          2HD2      ASN  24   2.392  -7.624  -0.048
  188   2HD2  ASN  24          1HD2      ASN  24   0.968  -7.422  -0.951
  189    H    LYS  25           H        LYS  25  -1.808  -3.618  -1.244
  190    HA   LYS  25           HA       LYS  25  -1.847  -1.860  -3.646
  191   1HB   LYS  25          2HB       LYS  25  -3.810  -3.904  -2.608
  192   2HB   LYS  25          1HB       LYS  25  -4.461  -2.438  -3.298
  193   1HG   LYS  25          2HG       LYS  25  -2.769  -2.972  -5.287
  194   2HG   LYS  25          1HG       LYS  25  -2.763  -4.588  -4.614
  195   1HD   LYS  25          2HD       LYS  25  -4.953  -5.023  -5.225
  196   2HD   LYS  25          1HD       LYS  25  -5.472  -3.364  -5.026
  197   1HE   LYS  25          2HE       LYS  25  -3.662  -3.226  -7.198
  198   2HE   LYS  25          1HE       LYS  25  -4.531  -4.728  -7.451
  199   1HZ   LYS  25          3HZ       LYS  25  -5.923  -2.208  -6.806
  200   2HZ   LYS  25          2HZ       LYS  25  -5.530  -2.646  -8.399
  201   3HZ   LYS  25          1HZ       LYS  25  -6.564  -3.631  -7.478
  202    H    CYS  26           H        CYS  26  -3.031   0.098  -3.316
  203    HA   CYS  26           HA       CYS  26  -2.706   1.144  -0.669
  204   1HB   CYS  26          2HB       CYS  26  -3.943   2.194  -3.188
  205   2HB   CYS  26          1HB       CYS  26  -3.963   3.117  -1.721
  206    H    VAL  27           H        VAL  27  -4.354   2.436   0.309
  207    HA   VAL  27           HA       VAL  27  -7.028   1.106   0.467
  208    HB   VAL  27           HB       VAL  27  -5.377   2.170   2.805
  209   1HG1  VAL  27          3HG1      VAL  27  -8.055   0.717   2.625
  210   2HG1  VAL  27          2HG1      VAL  27  -7.139   0.791   4.122
  211   3HG1  VAL  27          1HG1      VAL  27  -7.725   2.268   3.382
  212   1HG2  VAL  27          2HG2      VAL  27  -5.873  -0.711   1.890
  213   2HG2  VAL  27          1HG2      VAL  27  -4.322   0.110   1.901
  214   3HG2  VAL  27          3HG2      VAL  27  -5.115  -0.278   3.413
   
  No H/Q in entry =         214
  Start of MODEL   20
    1   1H    CYS   1          2H        CYS   1   0.971  11.308  -5.222
    2   2H    CYS   1          1H        CYS   1  -0.274  12.464  -5.242
    3   3H    CYS   1          3H        CYS   1   0.994  12.600  -4.118
    4    HA   CYS   1           HA       CYS   1   0.295  10.547  -3.054
    5   1HB   CYS   1          2HB       CYS   1  -1.157  11.759  -1.759
    6   2HB   CYS   1          1HB       CYS   1  -0.792  13.068  -2.828
    7    H    ARG   2           H        ARG   2  -0.154   8.635  -3.897
    8    HA   ARG   2           HA       ARG   2  -1.789   8.205  -6.242
    9   1HB   ARG   2          2HB       ARG   2  -0.411   6.370  -4.258
   10   2HB   ARG   2          1HB       ARG   2  -1.407   5.716  -5.539
   11   1HG   ARG   2          2HG       ARG   2   0.600   7.801  -6.343
   12   2HG   ARG   2          1HG       ARG   2   1.255   6.264  -5.817
   13   1HD   ARG   2          2HD       ARG   2  -0.189   5.094  -7.487
   14   2HD   ARG   2          1HD       ARG   2  -0.794   6.668  -8.023
   15    HE   ARG   2           HE       ARG   2   2.133   6.264  -8.090
   16   1HH1  ARG   2          1HH2      ARG   2   1.845   8.299  -9.729
   17   2HH1  ARG   2          2HH2      ARG   2   1.321   7.729 -11.279
   18   1HH2  ARG   2          1HH1      ARG   2   0.401   5.607 -11.441
   19   2HH2  ARG   2          2HH1      ARG   2   0.256   4.644 -10.007
   20    H    ILE   3           H        ILE   3  -3.603   6.746  -6.374
   21    HA   ILE   3           HA       ILE   3  -5.619   7.434  -4.391
   22    HB   ILE   3           HB       ILE   3  -7.084   6.069  -6.008
   23   1HG1  ILE   3          2HG1      ILE   3  -4.808   6.273  -7.971
   24   2HG1  ILE   3          1HG1      ILE   3  -4.871   4.884  -6.899
   25   1HG2  ILE   3          1HG2      ILE   3  -6.905   8.547  -6.088
   26   2HG2  ILE   3          3HG2      ILE   3  -5.488   8.419  -7.117
   27   3HG2  ILE   3          2HG2      ILE   3  -7.053   7.887  -7.706
   28   1HD1  ILE   3          1HD1      ILE   3  -7.185   5.748  -8.652
   29   2HD1  ILE   3          3HD1      ILE   3  -6.015   4.513  -9.089
   30   3HD1  ILE   3          2HD1      ILE   3  -7.066   4.271  -7.700
   31    HA   HYP   4           HA       HYP   4  -5.964   3.583  -2.069
   32   1HB   HYP   4          1HB       HYP   4  -8.123   3.414  -1.307
   33   2HB   HYP   4          2HB       HYP   4  -8.801   3.427  -2.923
   34   1HD   HYP   4          1HD1      HYP   4  -6.885   6.966  -2.642
   35   2HD   HYP   4          2HD1      HYP   4  -7.876   6.463  -4.022
   36    HOD  HYP   4           HD2      HYP   4  -7.885   6.733  -0.834
   37    HG   HYP   4           HG       HYP   4  -9.393   5.670  -2.345
   38    H    ASN   5           H        ASN   5  -6.230   1.417  -2.335
   39    HA   ASN   5           HA       ASN   5  -5.996  -0.633  -3.307
   40   1HB   ASN   5          2HB       ASN   5  -7.795  -1.260  -4.545
   41   2HB   ASN   5          1HB       ASN   5  -8.373   0.334  -4.159
   42   1HD2  ASN   5          1HD2      ASN   5  -6.275   1.366  -6.412
   43   2HD2  ASN   5          2HD2      ASN   5  -7.170   1.065  -7.817
   44    H    GLN   6           H        GLN   6  -4.573   1.952  -4.841
   45    HA   GLN   6           HA       GLN   6  -3.646   0.577  -7.225
   46   1HB   GLN   6          2HB       GLN   6  -3.446   3.251  -6.098
   47   2HB   GLN   6          1HB       GLN   6  -1.854   2.730  -6.598
   48   1HG   GLN   6          2HG       GLN   6  -2.964   2.004  -8.828
   49   2HG   GLN   6          1HG       GLN   6  -4.370   2.916  -8.297
   50   1HE2  GLN   6          2HE2      GLN   6  -1.623   4.941 -10.183
   51   2HE2  GLN   6          1HE2      GLN   6  -2.032   3.308 -10.400
   52    H    LYS   7           H        LYS   7  -1.786  -0.412  -7.636
   53    HA   LYS   7           HA       LYS   7  -0.480  -1.925  -5.694
   54   1HB   LYS   7          2HB       LYS   7  -0.418  -2.496  -8.075
   55   2HB   LYS   7          1HB       LYS   7   0.477  -1.042  -8.449
   56   1HG   LYS   7          2HG       LYS   7   1.909  -3.102  -8.401
   57   2HG   LYS   7          1HG       LYS   7   2.461  -1.872  -7.287
   58   1HD   LYS   7          2HD       LYS   7   1.748  -3.044  -5.395
   59   2HD   LYS   7          1HD       LYS   7   0.555  -3.996  -6.267
   60   1HE   LYS   7          2HE       LYS   7   2.241  -5.578  -5.911
   61   2HE   LYS   7          1HE       LYS   7   2.729  -4.977  -7.488
   62   1HZ   LYS   7          1HZ       LYS   7   3.737  -3.938  -4.902
   63   2HZ   LYS   7          3HZ       LYS   7   4.543  -5.074  -5.873
   64   3HZ   LYS   7          2HZ       LYS   7   4.273  -3.501  -6.453
   65    H    CYS   8           H        CYS   8   0.500  -1.128  -4.010
   66    HA   CYS   8           HA       CYS   8   2.789   0.744  -4.336
   67   1HB   CYS   8          2HB       CYS   8   2.064   1.951  -2.326
   68   2HB   CYS   8          1HB       CYS   8   0.896   2.063  -3.609
   69    H    PHE   9           H        PHE   9   4.472   0.348  -3.003
   70    HA   PHE   9           HA       PHE   9   4.481  -2.267  -1.625
   71   1HB   PHE   9          2HB       PHE   9   6.621  -0.289  -2.445
   72   2HB   PHE   9          1HB       PHE   9   7.000  -1.597  -1.340
   73    HD1  PHE   9           HD1      PHE   9   6.794  -3.966  -2.117
   74    HD2  PHE   9           HD2      PHE   9   6.195  -0.698  -4.789
   75    HE1  PHE   9           HE1      PHE   9   7.042  -5.480  -4.030
   76    HE2  PHE   9           HE2      PHE   9   6.443  -2.217  -6.698
   77    HZ   PHE   9           HZ       PHE   9   6.868  -4.610  -6.323
   78    H    GLN  10           H        GLN  10   4.471  -2.512   0.479
   79    HA   GLN  10           HA       GLN  10   3.625  -0.614   2.296
   80   1HB   GLN  10          2HB       GLN  10   4.295  -2.259   4.046
   81   2HB   GLN  10          1HB       GLN  10   3.469  -3.023   2.707
   82   1HG   GLN  10          2HG       GLN  10   6.518  -2.927   2.743
   83   2HG   GLN  10          1HG       GLN  10   5.649  -4.141   3.653
   84   1HE2  GLN  10          2HE2      GLN  10   4.510  -5.896   0.758
   85   2HE2  GLN  10          1HE2      GLN  10   4.160  -5.587   2.390
   86    H    HIS  11           H        HIS  11   6.832  -1.303   1.258
   87    HA   HIS  11           HA       HIS  11   8.299  -0.025   3.380
   88   1HB   HIS  11          2HB       HIS  11   9.236  -0.349   0.500
   89   2HB   HIS  11          1HB       HIS  11  10.229  -0.305   1.951
   90    HD1  HIS  11           HD1      HIS  11   9.612  -2.444   3.608
   91    HD2  HIS  11           HD2      HIS  11   8.605  -2.878  -0.324
   92    HE1  HIS  11           HE1      HIS  11   9.293  -4.862   3.235
   93    H    LEU  12           H        LEU  12   7.104   1.031   0.266
   94    HA   LEU  12           HA       LEU  12   7.596   3.892   1.005
   95   1HB   LEU  12          2HB       LEU  12   7.883   4.286  -1.481
   96   2HB   LEU  12          1HB       LEU  12   9.165   3.348  -0.762
   97    HG   LEU  12           HG       LEU  12   7.020   1.565  -1.686
   98   1HD1  LEU  12          1HD1      LEU  12   6.577   3.364  -3.346
   99   2HD1  LEU  12          3HD1      LEU  12   8.267   3.346  -3.818
  100   3HD1  LEU  12          2HD1      LEU  12   7.254   1.943  -4.118
  101   1HD2  LEU  12          3HD2      LEU  12   9.440   0.964  -1.220
  102   2HD2  LEU  12          2HD2      LEU  12   8.869   0.414  -2.784
  103   3HD2  LEU  12          1HD2      LEU  12   9.890   1.840  -2.672
  104    H    ASP  13           H        ASP  13   5.528   3.689   1.949
  105    HA   ASP  13           HA       ASP  13   3.169   3.144   0.391
  106   1HB   ASP  13          2HB       ASP  13   3.564   3.330   3.046
  107   2HB   ASP  13          1HB       ASP  13   3.064   4.993   2.804
  108    H    ASP  14           H        ASP  14   3.184   4.241  -1.426
  109    HA   ASP  14           HA       ASP  14   3.599   7.140  -1.582
  110   1HB   ASP  14          2HB       ASP  14   3.186   6.616  -4.073
  111   2HB   ASP  14          1HB       ASP  14   4.599   5.880  -3.345
  112    H    CYS  15           H        CYS  15   1.003   5.293  -0.757
  113    HA   CYS  15           HA       CYS  15  -1.113   6.437  -2.306
  114   1HB   CYS  15          2HB       CYS  15  -1.388   5.401   0.497
  115   2HB   CYS  15          1HB       CYS  15  -2.542   5.340  -0.803
  116    H    CYS  16           H        CYS  16  -2.720   7.851  -1.635
  117    HA   CYS  16           HA       CYS  16  -1.744  10.281  -0.380
  118   1HB   CYS  16          2HB       CYS  16  -3.681   9.785  -2.224
  119   2HB   CYS  16          1HB       CYS  16  -4.689   9.779  -0.806
  120    H    SER  17           H        SER  17  -3.666   7.530   0.425
  121    HA   SER  17           HA       SER  17  -4.469   8.416   3.078
  122   1HB   SER  17          2HB       SER  17  -5.453   6.096   3.152
  123   2HB   SER  17          1HB       SER  17  -5.903   6.894   1.639
  124    HG   SER  17           HG       SER  17  -3.774   5.087   2.108
  125    H    ARG  18           H        ARG  18  -1.639   7.497   1.810
  126    HA   ARG  18           HA       ARG  18   0.319   6.471   2.491
  127   1HB   ARG  18          2HB       ARG  18   1.130   7.342   4.619
  128   2HB   ARG  18          1HB       ARG  18   0.202   8.587   3.822
  129   1HG   ARG  18          2HG       ARG  18  -1.605   8.423   5.342
  130   2HG   ARG  18          1HG       ARG  18  -1.146   6.816   5.882
  131   1HD   ARG  18          2HD       ARG  18   0.916   7.794   6.941
  132   2HD   ARG  18          1HD       ARG  18   0.346   9.397   6.479
  133    HE   ARG  18           HE       ARG  18  -1.269   9.276   8.191
  134   1HH1  ARG  18          2HH1      ARG  18  -2.557   6.736   7.528
  135   2HH1  ARG  18          1HH1      ARG  18  -2.130   5.710   8.858
  136   1HH2  ARG  18          1HH2      ARG  18   0.488   7.787   9.895
  137   2HH2  ARG  18          2HH2      ARG  18  -0.367   6.318  10.229
  138    H    LYS  19           H        LYS  19  -1.984   4.756   2.608
  139    HA   LYS  19           HA       LYS  19  -1.044   2.741   4.574
  140   1HB   LYS  19          2HB       LYS  19  -3.768   3.901   4.101
  141   2HB   LYS  19          1HB       LYS  19  -3.663   2.195   4.455
  142   1HG   LYS  19          2HG       LYS  19  -2.689   2.572   6.600
  143   2HG   LYS  19          1HG       LYS  19  -2.209   4.209   6.200
  144   1HD   LYS  19          2HD       LYS  19  -4.282   5.104   6.642
  145   2HD   LYS  19          1HD       LYS  19  -5.150   3.706   6.042
  146   1HE   LYS  19          2HE       LYS  19  -5.444   3.915   8.483
  147   2HE   LYS  19          1HE       LYS  19  -4.559   2.444   8.109
  148   1HZ   LYS  19          1HZ       LYS  19  -2.493   3.798   8.485
  149   2HZ   LYS  19          3HZ       LYS  19  -3.497   4.998   9.143
  150   3HZ   LYS  19          2HZ       LYS  19  -3.431   3.459   9.860
  151    H    CYS  20           H        CYS  20  -0.517   0.893   3.609
  152    HA   CYS  20           HA       CYS  20  -1.766   0.141   1.034
  153   1HB   CYS  20          2HB       CYS  20   1.116   0.053   1.967
  154   2HB   CYS  20          1HB       CYS  20   0.545  -0.891   0.633
  155    H    ASN  21           H        ASN  21  -2.925  -1.636   1.398
  156    HA   ASN  21           HA       ASN  21  -2.768  -3.234   3.757
  157   1HB   ASN  21          2HB       ASN  21  -4.504  -4.602   2.679
  158   2HB   ASN  21          1HB       ASN  21  -4.830  -2.906   2.418
  159   1HD2  ASN  21          2HD2      ASN  21  -5.394  -4.172  -0.877
  160   2HD2  ASN  21          1HD2      ASN  21  -6.171  -3.903   0.608
  161    H    ARG  22           H        ARG  22  -3.000  -5.742   3.283
  162    HA   ARG  22           HA       ARG  22  -0.396  -6.737   3.041
  163   1HB   ARG  22          2HB       ARG  22  -1.444  -8.916   3.423
  164   2HB   ARG  22          1HB       ARG  22  -2.158  -7.706   4.464
  165   1HG   ARG  22          2HG       ARG  22  -4.082  -7.471   2.861
  166   2HG   ARG  22          1HG       ARG  22  -3.367  -8.708   1.843
  167   1HD   ARG  22          2HD       ARG  22  -5.064  -9.760   3.239
  168   2HD   ARG  22          1HD       ARG  22  -3.486 -10.320   3.781
  169    HE   ARG  22           HE       ARG  22  -4.882  -8.049   5.146
  170   1HH1  ARG  22          1HH2      ARG  22  -2.185  -8.923   6.050
  171   2HH1  ARG  22          2HH2      ARG  22  -2.557 -10.004   7.352
  172   1HH2  ARG  22          2HH1      ARG  22  -5.901 -10.360   6.369
  173   2HH2  ARG  22          1HH1      ARG  22  -4.713 -10.839   7.537
  174    H    PHE  23           H        PHE  23  -2.816  -6.235   0.666
  175    HA   PHE  23           HA       PHE  23  -1.703  -8.153  -1.256
  176   1HB   PHE  23          2HB       PHE  23  -3.955  -6.111  -1.452
  177   2HB   PHE  23          1HB       PHE  23  -3.575  -7.323  -2.654
  178    HD1  PHE  23           HD2      PHE  23  -3.540  -9.818  -1.832
  179    HD2  PHE  23           HD1      PHE  23  -5.476  -6.659   0.277
  180    HE1  PHE  23           HE2      PHE  23  -4.922 -11.456  -0.640
  181    HE2  PHE  23           HE1      PHE  23  -6.855  -8.300   1.465
  182    HZ   PHE  23           HZ       PHE  23  -6.582 -10.702   1.011
  183    H    ASN  24           H        ASN  24  -0.361  -5.626  -0.165
  184    HA   ASN  24           HA       ASN  24   0.996  -3.895  -0.907
  185   1HB   ASN  24          2HB       ASN  24   1.221  -5.688  -3.394
  186   2HB   ASN  24          1HB       ASN  24   2.391  -4.483  -2.880
  187   1HD2  ASN  24          2HD2      ASN  24   2.180  -8.073  -0.916
  188   2HD2  ASN  24          1HD2      ASN  24   0.908  -7.584  -1.926
  189    H    LYS  25           H        LYS  25  -1.675  -3.538  -1.269
  190    HA   LYS  25           HA       LYS  25  -1.834  -1.768  -3.659
  191   1HB   LYS  25          2HB       LYS  25  -3.730  -3.798  -2.514
  192   2HB   LYS  25          1HB       LYS  25  -4.429  -2.339  -3.166
  193   1HG   LYS  25          2HG       LYS  25  -3.055  -2.802  -5.302
  194   2HG   LYS  25          1HG       LYS  25  -2.654  -4.359  -4.612
  195   1HD   LYS  25          2HD       LYS  25  -5.553  -3.445  -4.886
  196   2HD   LYS  25          1HD       LYS  25  -4.711  -4.208  -6.217
  197   1HE   LYS  25          2HE       LYS  25  -5.647  -6.090  -5.221
  198   2HE   LYS  25          1HE       LYS  25  -4.119  -6.057  -4.361
  199   1HZ   LYS  25          3HZ       LYS  25  -5.425  -4.561  -2.724
  200   2HZ   LYS  25          2HZ       LYS  25  -6.790  -5.267  -3.443
  201   3HZ   LYS  25          1HZ       LYS  25  -5.632  -6.245  -2.678
  202    H    CYS  26           H        CYS  26  -3.085   0.195  -3.239
  203    HA   CYS  26           HA       CYS  26  -2.596   1.223  -0.594
  204   1HB   CYS  26          2HB       CYS  26  -4.066   2.278  -2.999
  205   2HB   CYS  26          1HB       CYS  26  -3.930   3.183  -1.525
  206    H    VAL  27           H        VAL  27  -4.390   2.434   0.504
  207    HA   VAL  27           HA       VAL  27  -6.872   0.768   0.699
  208    HB   VAL  27           HB       VAL  27  -5.379   2.106   3.002
  209   1HG1  VAL  27          2HG1      VAL  27  -7.779   0.222   2.882
  210   2HG1  VAL  27          1HG1      VAL  27  -6.879   0.518   4.361
  211   3HG1  VAL  27          3HG1      VAL  27  -7.727   1.835   3.577
  212   1HG2  VAL  27          2HG2      VAL  27  -5.409  -0.799   2.056
  213   2HG2  VAL  27          1HG2      VAL  27  -4.005   0.244   2.157
  214   3HG2  VAL  27          3HG2      VAL  27  -4.787  -0.306   3.623
   
  No H/Q in entry =         214