*HEADER    GROWTH FACTOR                           07-JAN-97   1PS2      
*TITLE     HIGH RESOLUTION NMR SOLUTION STRUCTURE OF HUMAN PS2,          
*TITLE    2 19 STRUCTURES                                                
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: PS2;                                               
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: PNR-2;                                              
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 MUTATION: C58S;                                              
*COMPND   7 BIOLOGICAL_UNIT: ACTIVE AS A DISULPHIDE-LINKED DIMER WITH    
*COMPND   8 LINK FORMED BY WILD-TYPE C58 OF BOTH SUBUNITS                
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                      
*SOURCE   4 ORGAN: BREAST, STOMACH;                                      
*SOURCE   5 TISSUE: EPITHELIAL;                                          
*SOURCE   6 CELL: MCF-7, UACL;                                           
*SOURCE   7 CELLULAR_LOCATION: EXTRACELLULAR;                            
*SOURCE   8 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: JM109;                             
*SOURCE  10 EXPRESSION_SYSTEM_CELL_LINE: HB101;                          
*SOURCE  11 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                      
*SOURCE  12 EXPRESSION_SYSTEM_VECTOR: PHARMACIA PEZZ18;                  
*SOURCE  13 EXPRESSION_SYSTEM_GENE: BCEI                                 
*KEYWDS    GROWTH FACTOR, CELL MOTILITY, TUMOR SUPPRESSOR, TREFOIL       
*KEYWDS   2 DOMAIN, SIGNAL                                               
*EXPDTA    NMR, 19 STRUCTURES                                            
*AUTHOR    M.A.WILLIAMS,V.I.POLSHAKOV,A.R.GARGARO,J.FEENEY               
*REVDAT   1   12-OCT-04 1PS2    0   

! NMR solution structure of human ps2 protein
!
! NOEs from human pS2 monomer (cys58ser mutant) with X-plor stereo labelling 
!
! NOE's from aromatic protons to be r^6 sum averaged
!
class aroma
!
!Long-range NOEs
!
assign (resid  9  and name hn )   (resid 14  and name hh*)   4.50 4.50 1.00  !  hh2*
assign (resid  9  and name hn )   (resid 45  and name he*)   4.50 4.50 1.00  !  
assign (resid  9  and name hb )   (resid 45  and name hd*)   4.00 4.00 1.00  !  
assign (resid  9  and name hg2*)  (resid 45  and name hd*)   4.00 4.00 1.00  !  
assign (resid  9  and name hg2*)  (resid 45  and name he*)   3.50 3.50 0.50  !  
assign (resid 14  and name hh*)   (resid 38  and name hg1*)  4.50 4.50 1.00  !  hh2*  
assign (resid 14  and name hh*)   (resid 41  and name hg1*)  4.50 4.50 1.00  !  hh2*  
assign (resid 15  and name ha)    (resid 46  and name hd*)   4.00 4.00 1.00  !            
assign (resid 15  and name hb*)   (resid 46  and name hd*)   2.70 2.70 0.50  !            
assign (resid 15  and name hg*)   (resid 46  and name hd*)   3.50 3.50 0.50  !            
assign (resid 17  and name ha )   (resid 46  and name hd*)   3.50 3.50 0.50  !  
assign (resid 17  and name ha )   (resid 46  and name he*)   3.50 3.50 0.50  !  
assign (resid 17  and name hb1 )  (resid 46  and name hd*)   4.00 4.00 1.00  !   
assign (resid 17  and name hb2 )  (resid 46  and name hd*)   3.50 3.50 0.50  !  
assign (resid 17  and name hb1 )  (resid 46  and name he*)   4.00 4.00 1.00  !  
assign (resid 22  and name hg2*)  (resid 34  and name hd*)   4.00 4.00 1.00  !  
assign (resid 22  and name hg2*)  (resid 34  and name he*)   2.70 2.70 0.50  !   
assign (resid 27  and name hn)    (resid 34  and name hd*)   4.00 4.00 1.00  !            
assign (resid 27  and name hb2)   (resid 34  and name hd*)   2.30 2.30 0.50  !            
assign (resid 33  and name hn )   (resid 46  and name hd*)   4.50 4.50 1.00  !     
assign (resid 28  and name hn )   (resid 34  and name hd*)   4.50 4.50 1.00  !   
assign (resid 34  and name hd*)   (resid 43  and name he3)   4.50 4.50 1.00  !  
assign (resid 34  and name he*)   (resid 43  and name he3)   3.50 3.50 0.50  !  
assign (resid 34  and name hd*)   (resid 44  and name ha)    4.00 4.00 1.00  !  
!
!Medium-range NOEs
!
assign (resid 19  and name hd*)   (resid 21  and name ha2)   3.50 3.50 0.50  !   
assign (resid 19  and name hd*)   (resid 22  and name hn)    4.00 4.00 1.00  !   
assign (resid 19  and name he*)   (resid 22  and name ha)    2.70 2.70 0.50  !   
assign (resid 34  and name hd*)   (resid 36  and name hn )   4.50 4.50 1.00  !   
assign (resid 34  and name he*)   (resid 36  and name hb1)   3.50 3.50 0.50  !   
!
!Sequential NOEs
!
assign (resid 19  and name hd*)   (resid 18  and name ha2)   3.50 3.50 0.50  !  
assign (resid 19  and name hd*)   (resid 20  and name hd1)   4.00 4.00 1.00  !  
assign (resid 19  and name hd*)   (resid 20  and name hd2)   4.00 4.00 1.00  !  
assign (resid 34  and name hd* )  (resid 35  and name hn )   4.00 4.00 1.00  !   
assign (resid 34  and name hd* )  (resid 35  and name ha )   4.00 4.00 1.00  !  
assign (resid 34  and name he* )  (resid 35  and name hn )   4.00 4.00 1.00  !   
assign (resid 45  and name ha )   (resid 46  and name hd*)   4.00 4.00 1.00  !  
assign (resid 46  and name hd* )  (resid 47  and name hd1 )  3.50 3.50 0.50  !   
assign (resid 46  and name hd* )  (resid 47  and name hd2 )  3.50 3.50 0.50  !   
!
!Intraresidue NOEs
!
assign (resid 19  and name hn )   (resid 19  and name he* )  4.50 4.50 1.00  !   
assign (resid 19  and name hn )   (resid 19  and name hd* )  4.00 4.00 1.00  !   
assign (resid 19  and name ha )   (resid 19  and name hd*)   3.50 3.50 0.50  !  
assign (resid 19  and name hb1 )  (resid 19  and name hd*)   2.70 2.70 0.50  !  
assign (resid 19  and name hb2 )  (resid 19  and name hd*)   2.70 2.70 0.50  !  
assign (resid 34  and name hn )   (resid 34  and name hd* )  4.00 4.00 1.00  !   
assign (resid 34  and name ha )   (resid 34  and name hd* )  3.50 3.50 0.50  !   
assign (resid 34  and name hb1 )  (resid 34  and name hd* )  3.50 3.50 0.50  !   
assign (resid 34  and name hb2 )  (resid 34  and name hd* )  2.30 2.30 0.50  !   
assign (resid 45  and name hn )   (resid 45  and name he* )  4.50 4.50 1.00  !      
assign (resid 45  and name hn )   (resid 45  and name hd* )  4.50 4.50 1.00  !     
assign (resid 46  and name hn )   (resid 46  and name hd* )  4.00 4.00 1.00  !   
assign (resid 46  and name hn )   (resid 46  and name he* )  4.50 4.50 1.00  !   
assign (resid 46  and name ha)    (resid 46  and name hd*)   4.00 4.00 1.00  !  
assign (resid 46  and name hb1)   (resid 46  and name hd*)   2.70 2.70 0.50  !  
assign (resid 46  and name hb2)   (resid 46  and name hd*)   2.70 2.70 0.50  !  
!
! Aromatic NOEs unambigously absent from spectra
!
assign (resid 17  and name hn )   (resid 46  and name hd* )  4.50 0.00 30.00 !  
assign (resid 19  and name he*)   (resid 21  and name hn )   4.50 0.00 30.00 !   
assign (resid 30  and name hn )   (resid 46  and name he* )  4.50 0.00 30.00 !  
assign (resid 31  and name hn )   (resid 46  and name he* )  4.50 0.00 30.00 !    
assign (resid 44  and name hn)    (resid 45  and name hd* )  4.50 0.00 30.00 !   
!
!
! Methyl groups requiring r^6 sum averaging
!
! Long range
!
assign (resid 49 and name hg2*)   (resid 5   and name ha )   3.50 3.50 0.50  !  
assign (resid 6   and name hg2*)  (resid 48  and name hn  )  4.50 4.50 1.00  !   
assign (resid 9   and name hg1*)  (resid 14  and name hn )   4.00 4.00 1.00  ! 
assign (resid 9   and name hg1* ) (resid 14  and name ha )   3.50 3.50 0.50  !    
assign (resid 9   and name hg1* ) (resid 14  and name hg1)   4.00 4.00 1.00  !    
assign (resid 9   and name hg1*)  (resid 14  and name hg2)   4.00 4.00 1.00  !  
assign (resid 9   and name hg1* ) (resid 14  and name he )   4.50 4.50 1.00  !    
assign (resid 9   and name hg2* ) (resid 14  and name he )   4.00 4.00 1.00  !     
assign (resid 9   and name hg1* ) (resid 15  and name hn )   4.50 4.50 1.00  !     
assign (resid 9   and name hg2*)  (resid 45  and name hz)    4.00 4.00 1.00  !  
assign (resid 9   and name hg2*)  (resid 47  and name ha)    4.00 4.00 1.00  !  
assign (resid 9   and name hg2*)  (resid 48  and name hn)    4.00 4.00 1.00  !  
assign (resid 9   and name hg2*)  (resid 48  and name ha)    4.50 4.50 1.00  !  
assign (resid 9   and name hg1* ) (resid 48  and name hd2* ) 4.50 4.50 1.00  !     
assign (resid 9   and name hg2* ) (resid 48  and name hd2* ) 4.50 4.50 1.00  !    
assign (resid 11  and name hb1)   (resid 38  and name hg1*)  4.00 4.00 1.00  !  
assign (resid 11  and name hb2)   (resid 41  and name hg1*)  4.00 4.00 1.00  !  
assign (resid 11  and name hb1)   (resid 38  and name hg2*)  4.50 4.50 1.00  !  
assign (resid 11  and name hb2)   (resid 41  and name hg2*)  4.50 4.50 1.00  ! 
assign (resid 12  and name hn)    (resid 41  and name hg1*)  4.50 4.50 1.00  !  
assign (resid 12  and name ha)    (resid 41  and name hg1*)  4.50 4.50 1.00  !  
assign (resid 14  and name hb2)   (resid 41  and name hg1*)  4.50 4.50 1.00  ! 
assign (resid 22  and name hg2*)  (resid 34  and name ha)    4.50 4.50 1.00  ! 
assign (resid 22  and name hg2*)  (resid 34  and name hz )   4.00 4.00 1.00  !  
assign (resid 22  and name hg2*)  (resid 43  and name he3)   4.00 4.00 1.00  ! 
assign (resid 22  and name hg2*)  (resid 44  and name ha)    4.00 4.00 1.00  ! 
assign (resid 22  and name hg2* ) (resid 44  and name hb1)   3.50 3.50 0.50  !    
assign (resid 22  and name hg2* ) (resid 27  and name hb1)   4.00 4.00 1.00  !
!
! Medium range
!    
assign (resid 10  and name hb* )  (resid 12  and name hn )   3.50 3.50 0.50  !    
assign (resid 10  and name hb*)   (resid 13  and name hn)    3.50 3.50 0.50  !   
assign (resid 10  and name hb*)   (resid 14  and name hn )   4.50 4.50 1.00  !    
assign (resid 10  and name hb*)   (resid 13  and name hb1)   4.00 4.00 1.00  !    
assign (resid 7   and name ha)    (resid 9   and name hg2*)  3.50 3.50 0.50  !
assign (resid 9   and name hg1* ) (resid 13  and name hn )   4.50 4.50 1.00  !     
assign (resid 9   and name hg1* ) (resid 13  and name hb2 )  4.00 4.00 1.00  !   
assign (resid 18  and name ha1)   (resid 22  and name hg2*)  3.50 3.50 0.50  !     
assign (resid 19  and name hn )   (resid 22  and name hg2* ) 4.00 4.00 1.00  !     
assign (resid 23  and name hg2* ) (resid 25  and name hn )   4.50 4.50 1.00  !     
assign (resid 23  and name hg2* ) (resid 26  and name hn )   4.50 4.50 1.00  !    
assign (resid 23  and name hg2* ) (resid 26  and name he2* ) 4.50 4.50 1.00  !    
assign (resid 26  and name hn )   (resid 28  and name hb* )  4.50 4.50 1.00  !    
assign (resid 38  and name hn )   (resid 41  and name hg2* ) 4.50 4.50 1.00  !    
assign (resid 38  and name hb )   (resid 41  and name hg2*)  3.50 3.50 0.50  !   
assign (resid 38 and name  hg1*)  (resid 41  and name hg2*)  4.00 4.00 1.00  !
assign (resid 38  and name hg1*)  (resid 41  and name hn )   4.00 4.00 1.00  !     
assign (resid 39  and name hn )   (resid 41  and name hg2* ) 4.50 4.50 1.00  !     
assign (resid 41  and name hg2* ) (resid 43  and name ha )   4.50 4.50 1.00  !   
assign (resid 41  and name hg2* ) (resid 43  and name he1 )  4.50 4.50 1.00  !     
assign (resid 41  and name hg2* ) (resid 43  and name hd1 )  3.50 3.50 0.50  !   
!
! Sequential
!
assign (resid  3  and name hg* )  (resid  4  and name hn )   4.50 4.50 1.00  !      
assign (resid  3  and name hn )   (resid  4  and name hg2*)  4.00 4.00 1.00  !   
assign (resid  4  and name hg2* ) (resid  5  and name hn )   4.00 4.00 1.00  !     
assign (resid  6  and name hg2*)  (resid  7  and name hn )   4.00 4.00 1.00  !   
assign (resid  6  and name hg2*)  (resid  7  and name ha )   4.50 4.50 1.00  !
assign (resid  8  and name hn )   (resid  9  and name hg2*)  4.50 4.50 1.00  !      
assign (resid  8  and name hg2* ) (resid  9  and name hn )   4.50 4.50 1.00  !     
assign (resid  9  and name hg1*)  (resid 10  and name hn )   3.50 3.50 0.50  !  
assign (resid  9  and name hg2*)  (resid 10  and name hn )   4.00 4.00 1.00  !   
assign (resid 10  and name hb*)   (resid 11  and name ha)    4.00 4.00 1.00  ! 
assign (resid 21  and name hn )   (resid 22  and name hg2* ) 4.00 4.00 1.00  !      
assign (resid 22  and name hg2*)  (resid 23  and name hn)    4.50 4.50 1.00  ! 
assign (resid 22  and name hg2*)  (resid 23  and name ha)    4.00 4.00 1.00  ! 
assign (resid 37  and name hg2* ) (resid 38  and name hn )   4.50 4.50 1.00  !     
assign (resid 37  and name hn )   (resid 38  and name hg2* ) 4.50 4.50 1.00  !     
assign (resid 38  and name hg1* ) (resid 39  and name hn )   2.70 2.70 0.50  !     
assign (resid 38  and name hg2* ) (resid 39  and name hn )   4.00 4.00 1.00  !   
assign (resid 41  and name hg1*)  (resid 42  and name hd1)   4.00 4.00 1.00  !
assign (resid 41  and name hg2*)  (resid 42  and name hd1)   4.00 4.00 1.00  !
assign (resid 49  and name ha)    (resid 50 and name hg1*)   4.00 4.00 1.00  !   
assign (resid 49  and name hg2* ) (resid 50  and name hn )   4.00 4.00 1.00  !     
!
!
! Other protons requiring r^6 sum averaging
!
! Long range
!
assign (resid 3   and name hg*)   (resid 51  and name ha )   4.00 4.00 1.00  !   
assign (resid 6   and name hn )   (resid 48  and name hb*)   4.50 4.50 1.00  !   
assign (resid 9   and name hg2* ) (resid 48  and name hb* )  4.50 4.50 1.00  !     
assign (resid 9   and name ha )   (resid 48  and name hd2* ) 4.50 4.50 1.00  !      
assign (resid 14  and name hb1)   (resid 42  and name hg* )  3.50 3.50 0.50  !     
assign (resid 14  and name hb2)   (resid 42  and name hg* )  3.50 3.50 0.50  !     
assign (resid 14  and name hd1)   (resid 42  and name hg* )  4.00 4.00 1.00  !     
assign (resid 14  and name hd2)   (resid 42  and name hg* )  4.00 4.00 1.00  !    
assign (resid 15  and name hn )   (resid 42  and name hg* )  4.50 4.50 1.00  !     
assign (resid 15  and name hb* )  (resid 46  and name hn )   3.50 3.50 0.50  !     
assign (resid 16  and name hn )   (resid 42  and name hg* )  4.50 4.50 1.00  !    
assign (resid 16  and name hd2*)  (resid 42  and name hb1 )  3.50 3.50 0.50  !      
assign (resid 24  and name hg*)   (resid 34  and name hz)    4.50 4.50 1.00  !     
assign (resid 32  and name ha )   (resid 47  and name hd*)   4.00 4.00 1.00  !    
assign (resid 33  and name hn )   (resid 47  and name hd* )  4.00 4.00 1.00  !  
assign (resid 4   and name hn )   (resid 50  and name hg2*)  4.50 0.00 30.00 !
!
! Medium range
!
assign (resid 10  and name hb*)   (resid 12  and name hg* )  4.50 4.50 1.00  !     
assign (resid 13  and name ha)    (resid 15  and name he2* ) 4.50 4.50 1.00  !     
assign (resid 16  and name hd2* ) (resid 18  and name hn )   4.00 4.00 1.00  !     
assign (resid 16  and name hd2* ) (resid 19  and name ha )   4.00 4.00 1.00  !    
assign (resid 22  and name hn )   (resid 26  and name hb*)   4.50 4.50 1.00  !    
assign (resid 23  and name hn )   (resid 26  and name hg* )  3.50 3.50 0.50  !      
assign (resid 23  and name hg1)   (resid 26 and name hg*)    3.50 3.50 0.50  !    
assign (resid 25  and name ha )   (resid 28  and name hb*)   3.50 3.50 0.50  !     
assign (resid 25  and name hb*)   (resid 29  and name hn )   4.50 4.50 1.00  !      
assign (resid 25  and name hb*)   (resid 29  and name hd2* ) 4.50 4.50 1.00  !     
assign (resid 26  and name ha )   (resid 29  and name hd2* ) 4.50 4.50 1.00  !      
assign (resid 26  and name ha )   (resid 29  and name hb*)   4.00 4.00 1.00  !     
assign (resid 30  and name hg* )  (resid 32  and name hn )   4.50 4.50 1.00  !   
assign (resid 39  and name hb* )  (resid 43  and name hz2 )  4.00 4.00 1.00  !   
assign (resid 39  and name hg* )  (resid 43  and name hz2 )  4.00 4.00 1.00  !   
assign (resid 39  and name hd* )  (resid 43  and name hz2 )  4.00 4.00 1.00  !   
assign (resid 42  and name hg*)   (resid 45  and name hb1 )  4.00 4.00 1.00  !     
!
! Sequential
!
assign (resid  1  and name hb*)   (resid  2  and name hn)    4.50 4.50 1.00  !  
assign (resid  2  and name ha)    (resid  3  and name he2* ) 4.50 4.50 1.00  !    
assign (resid  2  and name hb* )  (resid  3  and name hn )   4.00 4.00 1.00  !     
assign (resid  5  and name hg* )  (resid  6  and name hn )   4.50 4.50 1.00  !   
assign (resid 10  and name hn)    (resid 11  and name hd*)   4.50 4.50 1.00  ! 
assign (resid 10  and name hb*)   (resid 11  and name hd*)   4.00 4.00 1.00  ! 
assign (resid 10  and name ha)    (resid 11  and name hd*)   2.30 2.30 0.50  !   
assign (resid 11  and name hb* )  (resid 12  and name hn )   3.50 3.50 0.50  !     
assign (resid 11  and name hg* )  (resid 12  and name hn )   4.00 4.00 1.00  !    
assign (resid 11  and name hd* )  (resid 12  and name hn )   3.50 3.50 0.50  !     
assign (resid 15  and name hb* )  (resid 16  and name hn )   4.50 4.50 1.00  !      
assign (resid 15  and name hg* )  (resid 16  and name hn )   4.50 4.50 1.00  !      
assign (resid 17  and name hn )   (resid 18  and name ha* )  4.50 4.50 1.00  !     
assign (resid 23  and name ha)    (resid 24  and name hb*)   4.50 4.50 1.00  !    
assign (resid 23  and name ha)    (resid 24  and name hg*)   3.50 3.50 0.50  !
assign (resid 23  and name ha)    (resid 24  and name hd*)   3.50 3.50 0.50  ! 
assign (resid 23  and name hg2*)  (resid 24  and name hg*)   4.50 4.50 1.00  ! 
assign (resid 23  and name hb)    (resid 24  and name hd*)   3.50 3.50 0.50  !  
assign (resid 24  and name hb* )  (resid 25  and name hn )   3.50 3.50 0.50  !     
assign (resid 25  and name hn )   (resid 26  and name hg* )  4.00 4.00 1.00  !   
assign (resid 25  and name hb* )  (resid 26  and name hn )   3.50 3.50 0.50  !     
assign (resid 26  and name hg* )  (resid 27  and name hn )   4.00 4.00 1.00  !   
assign (resid 27  and name hn )   (resid 28  and name hb* )  4.50 4.50 1.00  !    
assign (resid 28  and name hb* )  (resid 29  and name hn )   2.70 2.70 0.50  !     
assign (resid 29  and name hn )   (resid 30  and name hb* )  4.50 4.50 1.00  !   
assign (resid 30  and name hg* )  (resid 31  and name hn )   4.50 4.50 1.00  !      
assign (resid 39  and name ha )   (resid 40  and name ha* )  4.50 4.50 1.00  !    
assign (resid 39  and name hb* )  (resid 40  and name hn )   2.70 2.70 0.50  !     
assign (resid 39  and name hg* )  (resid 40  and name hn )   4.50 4.50 1.00  !   
assign (resid 40  and name ha* )  (resid 41  and name hn )   3.50 3.50 0.50  !   
assign (resid 40  and name ha* )  (resid 41  and name hg1*)  4.50 4.50 1.00  !     
assign (resid 40  and name ha* )  (resid 41  and name hg2*)  4.50 4.50 1.00  !      
assign (resid 46  and name hn )   (resid 47  and name hd* )  4.50 4.50 1.00  !      
assign (resid 48  and name hb* )  (resid 49  and name hn )   3.50 3.50 0.50  !      
assign (resid 52  and name hn )   (resid 53  and name hd*)   4.50 4.50 1.00  !    
assign (resid 52  and name ha )   (resid 53  and name hd*)   2.70 2.70 0.50  !     
assign (resid 52  and name hg1* ) (resid 53  and name hd*)   4.50 4.50 1.00  !    
assign (resid 52  and name hg2* ) (resid 53  and name hd*)   4.50 4.50 1.00  !   
assign (resid 53  and name ha )   (resid 54  and name hd*)   3.50 3.50 0.50  !    
assign (resid 54  and name hd* )  (resid 55  and name hn )   4.50 4.50 1.00  !      
assign (resid 56  and name hb* )  (resid 57  and name hn )   4.00 4.00 1.00  !      
!
! Intra-residue
!
assign (resid 3   and name hn )   (resid 3   and name hg* )  4.00 4.00 1.00  !      
assign (resid 3   and name ha )   (resid 3   and name hg* )  3.50 3.50 0.50  !     
assign (resid 4   and name hn )   (resid 4   and name hg2* ) 4.00 4.00 1.00  !     
assign (resid 6   and name hn )   (resid 6   and name hg2* ) 3.50 3.50 0.50  !      
assign (resid 8   and name hn )   (resid 8   and name hg2* ) 3.50 3.50 0.50  !   
assign (resid 9   and name hn )   (resid 9   and name hg1* ) 4.50 4.50 1.00  !     
assign (resid 9   and name hn )   (resid 9   and name hg2* ) 2.70 2.70 0.50  !    
assign (resid 10  and name hn )   (resid 10  and name hb* )  3.50 3.50 0.50  !    
assign (resid 12  and name hn )   (resid 12  and name hg* )  2.70 2.70 0.50  !    
assign (resid 12  and name hn )   (resid 12  and name hd* )  4.50 4.50 1.00  !     
assign (resid 15  and name hn )   (resid 15  and name hb* )  4.00 4.00 1.00  !     
assign (resid 15  and name hn )   (resid 15  and name hg* )  4.00 4.00 1.00  !     
assign (resid 15  and name he22 ) (resid 15  and name hb* )  4.50 4.50 1.00  !     
assign (resid 16  and name hn )   (resid 16  and name hd2* ) 4.50 4.50 1.00  !     
assign (resid 22  and name hn )   (resid 22  and name hg2* ) 3.50 3.50 0.50  !     
assign (resid 23  and name hn )   (resid 23  and name hg2* ) 3.50 3.50 0.50  !      
assign (resid 25  and name hn )   (resid 25  and name hb* )  2.70 2.70 0.50  !     
assign (resid 26  and name hn )   (resid 26  and name hg* )  2.70 2.70 0.50  !      
assign (resid 28  and name hn )   (resid 28  and name hb* )  2.70 2.70 0.50  !     
assign (resid 29  and name hd2* ) (resid 29  and name ha )   4.50 4.50 1.00  !      
assign (resid 30  and name hn )   (resid 30  and name hb* )  2.70 2.70 0.50  !     
assign (resid 30  and name hn )   (resid 30  and name hg* )  3.50 3.50 0.50  !     
assign (resid 37  and name hn )   (resid 37  and name hg2* ) 2.70 2.70 0.50  !   
assign (resid 38  and name hn )   (resid 38  and name hg1* ) 4.00 4.00 1.00  !      
assign (resid 38  and name hn )   (resid 38  and name hg2* ) 2.70 2.70 0.50  !   
assign (resid 39  and name hn )   (resid 39  and name hb* )  2.70 2.70 0.50  !    
assign (resid 39  and name hn )   (resid 39  and name hg* )  3.50 3.50 0.50  !      
assign (resid 41  and name hn )   (resid 41  and name hg1* ) 2.70 2.70 0.50  !     
assign (resid 41  and name hn )   (resid 41  and name hg2* ) 2.70 2.70 0.50  !    
assign (resid 48  and name hn )   (resid 48  and name hb* )  3.50 3.50 0.50  !     
assign (resid 49  and name hn )   (resid 49  and name hg2* ) 3.50 3.50 0.50  !      
assign (resid 52  and name hn )   (resid 52  and name hg2* ) 2.70 2.70 0.50  !      
assign (resid 59  and name hn )   (resid 59  and name hb* )  3.50 3.50 0.50  !   
assign (resid 60  and name hn )   (resid 60  and name hb* )  4.50 4.50 1.00  !     
!
!
! NOEs to be treated with centre averaging
!
class others
!
!Long-range NOEs
!
assign (resid 3   and name ha )   (resid 51  and name ha )   4.00 4.00 1.00  !    
assign (resid 4   and name hn )   (resid 50  and name hn )   4.50 4.50 1.00  !      
assign (resid 4   and name hn )   (resid 51  and name ha )   4.50 4.50 1.00  !    
assign (resid 5   and name ha )   (resid 49  and name ha )   3.50 3.50 0.50  !   
assign (resid 6   and name hn )   (resid 48  and name hn )   3.50 3.50 0.50  !     
assign (resid 6   and name ha )   (resid 48  and name hn )   4.50 4.50 1.00  !   
assign (resid 6   and name hb )   (resid 48  and name hn )   4.00 4.00 1.00  !     
assign (resid 7   and name hn )   (resid 48  and name hn )   4.50 4.50 1.00  !    
assign (resid 7   and name ha)    (resid 33  and name hb1)   4.00 4.00 1.00  !   
assign (resid 7   and name ha)    (resid 45  and name hz )   4.00 4.00 1.00  !  
assign (resid 7   and name hb1)   (resid 45  and name hz )   3.50 3.50 0.50  !  
assign (resid 7   and name ha)    (resid 47  and name ha )   3.50 3.50 0.50  !  
assign (resid 7   and name ha)    (resid 47  and name hb1)   4.00 4.00 1.00  !  
assign (resid 7   and name ha )   (resid 48  and name hn )   4.00 4.00 1.00  !         
assign (resid 7   and name hb1)   (resid 33  and name hn)    4.50 4.50 1.00  ! 
assign (resid 9   and name hn )   (resid 14  and name hg2)   4.50 4.50 1.00  !   
assign (resid 9   and name hn )   (resid 14  and name he )   4.50 4.50 1.00  !   
assign (resid 9   and name hb )   (resid 14  and name hg2)   4.00 4.00 1.00  !     
assign (resid 9   and name hb )   (resid 45  and name hz)    4.50 4.50 1.00  !     
assign (resid 14  and name hb1)   (resid 42  and name hd2)   4.50 4.50 1.00  !
assign (resid 14  and name hb2)   (resid 42  and name hd2)   3.50 3.50 0.50  !
assign (resid 14  and name hb1 )  (resid 45  and name ha )   4.50 4.50 1.00  !     
assign (resid 14  and name hb1 )  (resid 46  and name hn )   4.50 4.50 1.00  !     
assign (resid 15  and name hn )   (resid 45  and name ha )   4.50 4.50 1.00  !     
assign (resid 15  and name hn )   (resid 45  and name hb2)   4.00 4.00 1.00  !     
assign (resid 15  and name hn )   (resid 46  and name hn )   4.50 4.50 1.00  !     
assign (resid 15  and name hn )   (resid 46  and name hb2 )  4.50 4.50 1.00  !   
assign (resid 15  and name ha )   (resid 46  and name hn )   4.50 4.50 1.00  !     
assign (resid 16  and name ha)    (resid 45  and name ha )   3.50 3.50 0.50  ! 
assign (resid 16  and name ha )   (resid 46  and name hn )   4.00 4.00 1.00  ! 
assign (resid 17  and name hn )   (resid 42  and name hb1 )  4.50 4.50 1.00  !   
assign (resid 17  and name hn )   (resid 42  and name hb2 )  4.00 4.00 1.00  !   
assign (resid 17  and name hn )   (resid 45  and name ha )   2.70 2.70 0.50  !   
assign (resid 17  and name ha )   (resid 45  and name ha )   3.50 3.50 0.50  !    
assign (resid 17  and name hn )   (resid 45  and name hb2)   4.00 4.00 1.00  !
assign (resid 17  and name hn )   (resid 46  and name hn )   4.50 4.50 1.00  !     
assign (resid 17  and name hb2)   (resid 33  and name hn )   4.50 4.50 1.00  !     
assign (resid 17  and name hb2 )  (resid 45  and name hn )   4.50 4.50 1.00  !     
assign (resid 17  and name hb2 )  (resid 45  and name ha )   2.70 2.70 0.50  !   
assign (resid 17  and name hb2 )  (resid 46  and name hn )   3.50 3.50 0.50  !     
assign (resid 18  and name hn )   (resid 44  and name hn )   4.50 4.50 1.00  !     
assign (resid 18  and name hn )   (resid 45  and name ha )   4.00 4.00 1.00  !      
assign (resid 18  and name ha1)   (resid 44  and name hb1)   3.50 3.50 0.50  !      
assign (resid 19  and name hz )   (resid 26  and name hb1)   4.50 4.50 1.00  !     
assign (resid 19  and name hz )   (resid 26  and name he22)  4.00 4.00 1.00  !      
assign (resid 19  and name hz )   (resid 26  and name he21)  4.00 4.00 1.00  !     
assign (resid 24  and name hd1)   (resid 34  and name hz)    4.00 4.00 1.00  !    
assign (resid 27  and name hb1 )  (resid 34  and name hn )   4.50 4.50 1.00  !    
assign (resid 27  and name hn )   (resid 44 and name hb2 )   4.50 4.50 1.00  !    
assign (resid 28  and name hn )   (resid 34 and name hb2 )   4.50 4.50 1.00  !      
assign (resid 32  and name ha )   (resid 45  and name hn )   4.50 4.50 1.00  !  
assign (resid 32  and name ha )   (resid 46  and name ha )   3.50 3.50 0.50  !  
assign (resid 33  and name hn )   (resid 44  and name ha )   4.50 4.50 1.00  !     
assign (resid 33  and name hn )   (resid 45  and name hn )   3.50 3.50 0.50  !     
assign (resid 33  and name hb2 )  (resid 45  and name hn )   4.00 4.00 1.00  !    
assign (resid 33  and name hb1 )  (resid 45  and name hn )   4.50 4.50 1.00  !    
assign (resid 33  and name hb1)   (resid 45  and name hz )   3.50 3.50 0.50  !    
assign (resid 33  and name hb2)   (resid 45  and name hz )   3.50 3.50 0.50  !    
assign (resid 33  and name hb2 )  (resid 46  and name ha )   4.50 4.50 1.00  !  
assign (resid 34  and name hn )   (resid 45  and name hn )   4.50 4.50 1.00  !      
assign (resid 34  and name ha )   (resid 45  and name hn )   4.00 4.00 1.00  !     
assign (resid 34  and name ha)    (resid 44  and name ha)    2.30 2.30 0.50  !
assign (resid 34  and name ha)    (resid 43  and name ha)    4.50 4.50 1.00  !
assign (resid 34  and name hz)    (resid 43  and name he3)   2.30 2.30 0.50  !  
assign (resid 34  and name hz)    (resid 43  and name hb1)   4.00 4.00 1.00  !  
assign (resid 34  and name hz)    (resid 43  and name hb2)   4.00 4.00 1.00  !  
assign (resid 34  and name hb1)   (resid 44  and name ha)    4.50 4.50 1.00  ! 
assign (resid 35  and name hn )   (resid 44  and name ha )   4.00 4.00 1.00  !     
assign (resid 35  and name hn )   (resid 43  and name ha )   3.50 3.50 0.50  !    
assign (resid 35  and name hn )   (resid 43  and name hb1 )  4.00 4.00 1.00  !     
assign (resid 35  and name hn )   (resid 43  and name hd1 )  4.50 4.50 1.00  !     
assign (resid 35  and name hn )   (resid 45  and name hn )   4.00 4.00 1.00  !     
assign (resid 35  and name hb2)   (resid 45  and name hz )   3.50 3.50 0.50  !  
assign (resid 36  and name ha )   (resid 43  and name he3 )  4.00 4.00 1.00  !     
assign (resid 36  and name hb1)   (resid 43  and name he3 )  3.50 3.50 0.50  !     
assign (resid 38  and name hn )   (resid 43  and name he1 )  4.50 4.50 1.00  !     
!
! Long-range NOEs unambiguously absent from spectra
!
assign (resid 5   and name hn )   (resid 50  and name hb )   4.50 0.00 30.00  ! 
assign (resid 7   and name hn)    (resid 48  and name ha)    4.50 0.00 30.00  !
assign (resid 17  and name hn )   (resid 44  and name hn )   4.50 0.00 30.00  !      
!
! Medium-range NOEs
!
assign (resid 6   and name ha )   (resid 8   and name hn )   4.00 4.00 1.00  !    
assign (resid 10  and name ha)    (resid 12  and name hn)    4.50 4.50 1.00  ! 
assign (resid 10  and name hn )   (resid 13  and name hb2)   4.00 4.00 1.00  !     
assign (resid 11  and name ha )   (resid 13  and name hn )   4.50 4.50 1.00  !     
assign (resid 11  and name ha )   (resid 14  and name hn )   4.50 4.50 1.00  !     
assign (resid 11  and name ha )   (resid 14  and name hd2)   2.70 2.70 0.50  !  
assign (resid 11  and name ha )   (resid 14  and name he )   4.00 4.00 1.00  !    
assign (resid 12  and name hn )   (resid 14  and name hn )   4.50 4.50 1.00  !     
assign (resid 12  and name ha )   (resid 14  and name hn )   4.50 4.50 1.00  !      
assign (resid 16  and name hb2)   (resid 18  and name hn )   4.50 4.50 1.00  !     
assign (resid 19  and name hn )   (resid 22  and name hn )   4.00 4.00 1.00  !     
assign (resid 19  and name hb1)   (resid 22  and name hn )   4.50 4.50 1.00  !     
assign (resid 22  and name hb)    (resid 27  and name hn )   3.50 3.50 0.50  !   
assign (resid 23  and name hn )   (resid 26  and name hn )   4.00 4.00 1.00  !      
assign (resid 23  and name hn )   (resid 26  and name hb2 )  2.70 2.70 0.50  !   
assign (resid 23  and name hn )   (resid 26  and name hb1 )  3.50 3.50 0.50  !     
assign (resid 23  and name hn )   (resid 27  and name hn )   3.50 3.50 0.50  !     
assign (resid 23  and name hn )   (resid 27  and name hb2)   4.00 4.00 1.00  !   
assign (resid 23  and name hb )   (resid 25  and name hn )   3.50 3.50 0.50  !      
assign (resid 23  and name hb )   (resid 26  and name hn )   4.00 4.00 1.00  !     
assign (resid 23  and name hg1 )  (resid 26  and name hn )   4.50 4.50 1.00  !     
assign (resid 25  and name hn )   (resid 27  and name hn )   4.00 4.00 1.00  !     
assign (resid 25  and name hn )   (resid 28  and name hn )   4.50 4.50 1.00  !      
assign (resid 25  and name ha )   (resid 28  and name hn )   3.50 3.50 0.50  !      
assign (resid 25  and name ha )   (resid 29  and name hn )   4.00 4.00 1.00  !     
assign (resid 26  and name hn )   (resid 28  and name hn )   4.50 4.50 1.00  !      
assign (resid 26  and name hb1)   (resid 28  and name hn )   4.50 4.50 1.00  !   
assign (resid 26  and name ha )   (resid 29  and name hn )   3.50 3.50 0.50  !     
assign (resid 26  and name ha )   (resid 30  and name hn )   4.50 4.50 1.00  !    
assign (resid 27  and name ha )   (resid 30  and name hn )   4.00 4.00 1.00  !     
assign (resid 27  and name ha )   (resid 31  and name hn )   4.50 4.50 1.00  !   
assign (resid 27  and name ha )   (resid 32  and name hn )   4.00 4.00 1.00  !      
assign (resid 27  and name hb1 )  (resid 29  and name hn )   4.50 4.50 1.00  !      
assign (resid 28  and name hn )   (resid 30  and name hn )   4.50 4.50 1.00  !     
assign (resid 28  and name ha )   (resid 30  and name hn )   4.50 4.50 1.00  !      
assign (resid 28  and name ha )   (resid 31  and name hn )   3.50 3.50 0.50  !     
assign (resid 28  and name ha )   (resid 32  and name hn )   3.50 3.50 0.50  !     
assign (resid 29  and name ha )   (resid 31  and name hn )   4.00 4.00 1.00  !     
assign (resid 29  and name hn )   (resid 31  and name hn )   4.00 4.00 1.00  !     
assign (resid 29  and name hn )   (resid 32  and name hn )   4.00 4.00 1.00  !     
assign (resid 30  and name hn )   (resid 32  and name hn )   3.50 3.50 0.50  !   
assign (resid 34  and name hz )   (resid 36  and name hb1)   3.50 3.50 0.50  !     
assign (resid 34  and name hz )   (resid 36  and name hb2)   4.50 4.50 1.00  !     
assign (resid 35  and name ha )   (resid 37  and name hn )   4.00 4.00 1.00  !     
assign (resid 36  and name ha )   (resid 38  and name hn )   4.00 4.00 1.00  !     
assign (resid 38  and name hb)    (resid 41  and name hn )   4.00 4.00 1.00  !     
assign (resid 39  and name ha )   (resid 41  and name hn )   3.50 3.50 0.50  !     
assign (resid 39  and name ha )   (resid 43  and name he1 )  2.70 2.70 0.50  !     
assign (resid 39  and name ha )   (resid 43  and name hz2 )  3.50 3.50 0.50  !     
assign (resid 41  and name hn )   (resid 43  and name he1 )  4.50 4.50 1.00  !      
assign (resid 42  and name ha )   (resid 44  and name hn )   4.00 4.00 1.00  !  
assign (resid 42  and name hb2)   (resid 45  and name ha )   4.50 4.50 1.00  !  
assign (resid 47  and name hb2 )  (resid 49  and name hn )   4.50 4.50 1.00  !   
!
! Medium NOEs unambiguously absent from spectra
!
assign (resid 7   and name ha)    (resid  9  and name hn)    4.50 0.00 30.00  !
!
! Sequential NOEs
!
assign (resid  1  and name ha)    (resid  2  and name hn)    3.50 3.50 0.50  !  
assign (resid  2  and name ha )   (resid  3  and name hn )   2.70 2.70 0.50  !     
assign (resid  3  and name ha )   (resid  4  and name hn )   2.70 2.70 0.50  !      
assign (resid  3  and name hb1 )  (resid  4  and name hn )   4.00 4.00 1.00  !      
assign (resid  3  and name hb2 )  (resid  4  and name hn )   4.00 4.00 1.00  !     
assign (resid  4  and name hn)    (resid  5  and name hn )   4.00 4.00 1.00  !    
assign (resid  4  and name hb )   (resid  5  and name hn )   2.70 2.70 0.50  !      
assign (resid  5  and name ha )   (resid  6  and name hn )   2.70 2.70 0.50  !     
assign (resid  5  and name hb2 )  (resid  6  and name hn )   4.00 4.00 1.00  !     
assign (resid  5  and name hb1 )  (resid  6  and name hn )   3.50 3.50 0.50  !   
assign (resid  5  and name hn )   (resid  6  and name hn )   4.00 4.00 1.00  !     
assign (resid  6  and name hn )   (resid  7  and name hn )   4.00 4.00 1.00  !      
assign (resid  6  and name ha )   (resid  7  and name hn )   2.70 2.70 0.50  !      
assign (resid  6  and name hb )   (resid  7  and name hn )   4.00 4.00 1.00  !     
assign (resid  7  and name ha )   (resid  8  and name hn )   3.50 3.50 0.50  !     
assign (resid  7  and name hn )   (resid  8  and name hn )   3.50 3.50 0.50  !     
assign (resid  7  and name hb2 )  (resid  8  and name hn )   4.00 4.00 1.00  !      
assign (resid  8  and name hn )   (resid  9  and name hn )   4.00 4.00 1.00  !      
assign (resid  8  and name ha )   (resid  9  and name hn )   2.70 2.70 0.50  !      
assign (resid  9  and name hn )   (resid 10  and name hn )   4.50 4.50 1.00  !     
assign (resid  9  and name ha)    (resid 10  and name hn )   2.30 2.30 0.50  !  
assign (resid  9  and name hb )   (resid 10  and name hn )   4.00 4.00 1.00  !   
assign (resid 10  and name ha)    (resid 11  and name ha)    4.00 4.00 1.00  ! 
assign (resid 11  and name ha )   (resid 12  and name hn )   4.00 4.00 1.00  !     
assign (resid 12  and name hn )   (resid 13  and name hn )   2.70 2.70 0.50  !   
assign (resid 12  and name ha )   (resid 13  and name hn )   3.50 3.50 0.50  !     
assign (resid 13  and name hn )   (resid 14  and name hb2 )  4.50 4.50 1.00  !     
assign (resid 13  and name hn )   (resid 14  and name hn )   2.70 2.70 0.50  !      
assign (resid 13  and name ha )   (resid 14  and name hn )   3.50 3.50 0.50  !     
assign (resid 13  and name hb2 )  (resid 14  and name hn )   4.50 4.50 1.00  !     
assign (resid 14  and name hn )   (resid 15  and name hn )   4.50 4.50 1.00  !      
assign (resid 14  and name ha )   (resid 15  and name hn )   2.30 2.30 0.50  !     
assign (resid 14  and name hb2 )  (resid 15  and name hn )   4.00 4.00 1.00  !      
assign (resid 14  and name hb1 )  (resid 15  and name hn )   4.00 4.00 1.00  !     
assign (resid 14  and name hg1 )  (resid 15  and name hn )   4.50 4.50 1.00  !     
assign (resid 15  and name ha )   (resid 16  and name hn )   2.30 2.30 0.50  !   
assign (resid 16  and name hn )   (resid 17  and name hn )   4.50 4.50 1.00  !      
assign (resid 16  and name ha)    (resid 17  and name hn)    3.50 3.50 0.50  !  
assign (resid 16  and name hb2)   (resid 17  and name hn )   4.50 4.50 1.00  !     
assign (resid 17  and name hn )   (resid 18  and name hn )   2.70 2.70 0.50  !     
assign (resid 17  and name hb2 )  (resid 18  and name hn )   4.00 4.00 1.00  !      
assign (resid 18  and name hn )   (resid 19  and name hn )   4.00 4.00 1.00  !      
assign (resid 18  and name ha1)   (resid 19  and name hn )   2.70 2.70 0.50  !      
assign (resid 19  and name hn )   (resid 20  and name hd1)   4.00 4.00 1.00  !   
assign (resid 19  and name ha)    (resid 20  and name ha )   4.50 4.50 1.00  ! 
assign (resid 19  and name ha)    (resid 20  and name hd1)   2.30 2.30 0.50  ! 
assign (resid 19  and name ha)    (resid 20  and name hd2)   2.70 2.70 0.50  ! 
assign (resid 20  and name hb2 )  (resid 21  and name hn )   4.50 4.50 1.00  !      
assign (resid 20  and name hb1 )  (resid 21  and name hn )   4.00 4.00 1.00  !   
assign (resid 21  and name ha2 )  (resid 22  and name hn )   4.00 4.00 1.00  !     
assign (resid 21  and name ha1 )  (resid 22  and name hn )   4.00 4.00 1.00  !     
assign (resid 22  and name hn )   (resid 23  and name hn )   4.00 4.00 1.00  !     
assign (resid 22  and name ha )   (resid 23  and name hn )   2.30 2.30 0.50  !     
assign (resid 24  and name hd2)   (resid 25  and name hn)    4.00 4.00 1.00  ! 
assign (resid 24  and name ha )   (resid 25  and name hn )   4.00 4.00 1.00  !    
assign (resid 25  and name hn )   (resid 26  and name hn )   2.70 2.70 0.50  !     
assign (resid 25  and name ha )   (resid 26  and name hn )   4.00 4.00 1.00  !     
assign (resid 26  and name hn )   (resid 27  and name hn )   2.70 2.70 0.50  !     
assign (resid 26  and name hn )   (resid 27  and name hb2 )  4.50 4.50 1.00  !     
assign (resid 26  and name ha )   (resid 27  and name hn )   4.00 4.00 1.00  !     
assign (resid 26  and name hb2 )  (resid 27  and name hn )   3.50 3.50 0.50  !    
assign (resid 26  and name hb1 )  (resid 27  and name hn )   4.00 4.00 1.00  !    
assign (resid 27  and name hn )   (resid 28  and name hn )   2.70 2.70 0.50  !    
assign (resid 27  and name ha )   (resid 28  and name hn )   4.00 4.00 1.00  !    
assign (resid 27  and name hb1 )  (resid 28  and name hn )   3.50 3.50 0.50  !    
assign (resid 27  and name hb2)   (resid 28  and name hn )   4.00 4.00 1.00  !     
assign (resid 28  and name hn )   (resid 29  and name ha )   4.50 4.50 1.00  !     
assign (resid 28  and name ha )   (resid 29  and name hn )   3.50 3.50 0.50  !      
assign (resid 29  and name hn )   (resid 30  and name hn )   2.70 2.70 0.50  !     
assign (resid 29  and name ha )   (resid 30  and name hn )   3.50 3.50 0.50  !     
assign (resid 30  and name hn )   (resid 31  and name hn )   2.70 2.70 0.50  !     
assign (resid 30  and name hn )   (resid 31  and name ha2)   4.00 4.00 1.00  !     
assign (resid 30  and name ha )   (resid 31  and name hn )   3.50 3.50 0.50  !     
assign (resid 31  and name hn )   (resid 32  and name hn )   2.30 2.30 0.50  !     
assign (resid 31  and name ha1 )  (resid 32  and name hn )   3.50 3.50 0.50  !     
assign (resid 31  and name ha2 )  (resid 32  and name hn )   3.50 3.50 0.50  !     
assign (resid 31  and name hn )   (resid 32  and name hb2 )  4.50 4.50 1.00  !     
assign (resid 32  and name hb2)   (resid 33  and name hn )   4.00 4.00 1.00  !     
assign (resid 32  and name hn )   (resid 33  and name hn )   4.00 4.00 1.00  !     
assign (resid 32  and name ha )   (resid 33  and name hn )   2.70 2.70 0.50  !  
assign (resid 32  and name hb1 )  (resid 33  and name hn )   2.70 2.70 0.50  !     
assign (resid 33  and name ha )   (resid 34  and name hn )   2.30 2.30 0.50  !     
assign (resid 33  and name ha)    (resid 34  and name ha)    4.50 4.50 1.00  !
assign (resid 33  and name hb2 )  (resid 34  and name hn )   4.00 4.00 1.00  !      
assign (resid 33  and name hb1 )  (resid 34  and name hn )   3.50 3.50 0.50  !     
assign (resid 34  and name hn )   (resid 35  and name hn )   4.00 4.00 1.00  !     
assign (resid 34  and name ha )   (resid 35  and name hn )   2.30 2.30 0.50  !     
assign (resid 34  and name ha)    (resid 35  and name ha)    4.50 4.50 1.00  !
assign (resid 34  and name hb2 )  (resid 35  and name hn )   4.00 4.00 1.00  !   
assign (resid 34  and name hb1 )  (resid 35  and name hn )   4.00 4.00 1.00  !   
assign (resid 35  and name hn )   (resid 36  and name hn )   4.00 4.00 1.00  !      
assign (resid 35  and name ha )   (resid 36  and name hn )   2.30 2.30 0.50  !     
assign (resid 36  and name ha )   (resid 37  and name hn )   3.50 3.50 0.50  !     
assign (resid 37  and name hn )   (resid 38  and name hn )   2.70 2.70 0.50  !     
assign (resid 37  and name hn )   (resid 38  and name hb )   4.50 4.50 1.00  !   
assign (resid 37  and name ha )   (resid 38  and name hn )   3.50 3.50 0.50  !     
assign (resid 38  and name hn )   (resid 39  and name hn )   4.50 4.50 1.00  !      
assign (resid 38  and name ha )   (resid 39  and name hn )   2.30 2.30 0.50  !    
assign (resid 39  and name ha )   (resid 40  and name hn )   2.70 2.70 0.50  !    
assign (resid 40  and name hn )   (resid 41  and name hn )   3.50 3.50 0.50  !     
assign (resid 41  and name ha)    (resid 42  and name ha )   4.00 4.00 1.00  !    
assign (resid 41  and name hn )   (resid 42  and name hd2 )  4.50 4.50 1.00  !      
assign (resid 41  and name ha)    (resid 42  and name hd1)   2.30 2.30 0.50  !
assign (resid 41  and name ha)    (resid 42  and name hd2)   3.50 3.50 0.50  ! 
assign (resid 42  and name ha )   (resid 43  and name hn )   2.70 2.70 0.50  !     
assign (resid 42  and name hb2 )  (resid 43  and name hn )   4.00 4.00 1.00  !      
assign (resid 43  and name hn )   (resid 44  and name hn )   3.50 3.50 0.50  !     
assign (resid 43  and name ha )   (resid 44  and name hn )   3.50 3.50 0.50  !   
assign (resid 43  and name hn )   (resid 44  and name ha )   4.50 4.50 1.00  !     
assign (resid 43  and name hn )   (resid 44  and name hb1)   4.50 4.50 1.00  !     
assign (resid 43  and name hb1 )  (resid 44  and name hn )   4.00 4.00 1.00  !    
assign (resid 43  and name hd1 )  (resid 44  and name hn )   4.50 4.50 1.00  !      
assign (resid 44  and name hn )   (resid 45  and name hn )   4.00 4.00 1.00  !     
assign (resid 44  and name ha )   (resid 45  and name hn )   2.30 2.30 0.50  !      
assign (resid 44  and name ha )   (resid 45  and name ha )   4.00 4.00 1.00  !   
assign (resid 44  and name hb1 )  (resid 45  and name hn )   4.00 4.00 1.00  !     
assign (resid 45  and name hn )   (resid 46  and name hn )   4.50 4.50 1.00  !      
assign (resid 46  and name ha )   (resid 47  and name hd2 )  3.50 3.50 0.50  !      
assign (resid 46  and name ha )   (resid 47  and name hd1 )  2.70 2.70 0.50  !      
assign (resid 47  and name ha )   (resid 48  and name hn )   2.30 2.30 0.50  !      
assign (resid 47  and name hb2 )  (resid 48  and name hn )   2.70 2.70 0.50  !      
assign (resid 47  and name hb1 )  (resid 48  and name hn )   3.50 3.50 0.50  !      
assign (resid 47  and name hb2 )  (resid 48  and name ha )   4.00 4.00 1.00  !   
assign (resid 48  and name hn )   (resid 49  and name hn )   3.50 3.50 0.50  !      
assign (resid 48  and name ha )   (resid 49  and name hn )   2.30 2.30 0.50  !   
assign (resid 48  and name ha )   (resid 49  and name ha )   4.50 4.50 1.00  !  
assign (resid 49  and name ha )   (resid 50  and name hn )   2.30 2.30 0.50  !     
assign (resid 50  and name ha )   (resid 51  and name hn )   2.30 2.30 0.50  !     
assign (resid 50  and name hg11 ) (resid 51  and name hn )   4.50 4.50 1.00  !     
assign (resid 50  and name hg12 ) (resid 51  and name hn )   4.50 4.50 1.00  !      
assign (resid 50  and name hb )   (resid 51  and name hn )   3.50 3.50 0.50  !     
assign (resid 51  and name ha )   (resid 52  and name hn )   2.70 2.70 0.50  !     
assign (resid 51  and name hb2 )  (resid 52  and name hn )   4.00 4.00 1.00  !      
assign (resid 56  and name ha )   (resid 57  and name hn )   2.70 2.70 0.50  !      
assign (resid 59  and name hn )   (resid 60  and name hn )   4.50 4.50 1.00  !     
assign (resid 59  and name ha )   (resid 60  and name hn )   2.70 2.70 0.50  !      
!
!Sequential NOEs unambiguously absent from spectra
!
assign (resid 8   and name hn)    (resid  9  and name ha)    4.50 0.00 30.00  !
assign (resid 19  and name hb1 )  (resid 21  and name hn )   4.50 0.00 30.00  !    
!
!Intraresidue NOEs
!
assign (resid 3   and name hn )   (resid 3   and name hb1 )  3.50 3.50 0.50  !    
assign (resid 3   and name hn )   (resid 3   and name hb2 )  2.70 2.70 0.50  !    
assign (resid 4   and name hn )   (resid 4   and name hb )   3.50 3.50 0.50  !      
assign (resid 5   and name hn )   (resid 5   and name hb2 )  3.50 3.50 0.50  !    
assign (resid 5   and name hn )   (resid 5   and name hb1 )  4.00 4.00 1.00  !     
assign (resid 5   and name hn )   (resid 5   and name hg1 )  4.00 4.00 1.00  !      
assign (resid 6   and name hn )   (resid 6   and name hb )   3.50 3.50 0.50  !     
assign (resid 7   and name hn )   (resid 7   and name hb1 )  4.00 4.00 1.00  !      
assign (resid 9   and name hn )   (resid 9   and name hb )   2.70 2.70 0.50  !      
assign (resid 10  and name hn )   (resid 10  and name ha )   2.70 2.70 0.50  !    
assign (resid 12  and name hn )   (resid 12  and name hb2 )  3.50 3.50 0.50  !      
assign (resid 12  and name hn )   (resid 12  and name hb1 )  3.50 3.50 0.50  !   
assign (resid 13  and name hn )   (resid 13  and name hb1 )  4.00 4.00 1.00  !      
assign (resid 13  and name hn )   (resid 13  and name hb2 )  2.70 2.70 0.50  !     
assign (resid 14  and name hn )   (resid 14  and name ha )   2.70 2.70 0.50  !      
assign (resid 14  and name hn )   (resid 14  and name hb2 )  2.70 2.70 0.50  !      
assign (resid 14  and name hn )   (resid 14  and name hb1 )  4.00 4.00 1.00  !      
assign (resid 14  and name hn )   (resid 14  and name hg2 )  4.00 4.00 1.00  !   
assign (resid 14  and name hn )   (resid 14  and name hg1 )  3.50 3.50 0.50  !     
assign (resid 14  and name hn )   (resid 14  and name hd2 )  4.50 4.50 1.00  !      
assign (resid 15  and name he22 ) (resid 15  and name hg1 )  4.50 4.50 1.00  !    
assign (resid 15  and name he21 ) (resid 15  and name hg2 )  4.50 4.50 1.00  !      
assign (resid 15  and name he21 ) (resid 15  and name hg1 )  4.50 4.50 1.00  !     
assign (resid 15  and name he22 ) (resid 15  and name hg2 )  4.50 4.50 1.00  !     
assign (resid 16  and name hn )   (resid 16  and name hb1 )  2.70 2.70 0.50  !      
assign (resid 16  and name hn )   (resid 16  and name hb2 )  2.30 2.30 0.50  !      
assign (resid 17  and name hn )   (resid 17  and name hb1)   2.30 2.30 0.50  !    
assign (resid 17  and name hn )   (resid 17  and name hb2)   4.00 4.00 1.00  !  
assign (resid 19  and name hn )   (resid 19  and name hb2 )  4.00 4.00 1.00  !     
assign (resid 21  and name hn )   (resid 21  and name ha1 )  2.30 2.30 0.50  !      
assign (resid 23  and name hn )   (resid 23  and name hb )   4.00 4.00 1.00  !     
assign (resid 26  and name hn )   (resid 26  and name hb2 )  2.70 2.70 0.50  !     
assign (resid 26  and name hn )   (resid 26  and name hb1 )  4.00 4.00 1.00  !     
assign (resid 27  and name hn )   (resid 27  and name ha )   2.70 2.70 0.50  !     
assign (resid 27  and name hn )   (resid 27  and name hb2 )  2.70 2.70 0.50  !     
assign (resid 27  and name hn )   (resid 27  and name hb1 )  2.70 2.70 0.50  !     
assign (resid 32  and name hn )   (resid 32  and name hb1 )  4.00 4.00 1.00  !      
assign (resid 32  and name hn )   (resid 32  and name hb2)   3.50 3.50 0.50  !     
assign (resid 33  and name hn )   (resid 33  and name hb2 )  2.70 2.70 0.50  !      
assign (resid 33  and name hn )   (resid 33  and name hb1 )  4.00 4.00 1.00  !      
assign (resid 34  and name hn )   (resid 34  and name hb2 )  2.70 2.70 0.50  !      
assign (resid 34  and name hn )   (resid 34  and name hb1 )  2.70 2.70 0.50  !     
assign (resid 35  and name hn )   (resid 35  and name hb2 )  3.50 3.50 0.50  !     
assign (resid 35  and name hn )   (resid 35  and name hb1 )  4.50 4.50 1.00  !      
assign (resid 36  and name hn )   (resid 36  and name hb2 )  4.00 4.00 1.00  !   
assign (resid 36  and name hn )   (resid 36  and name hb1 )  4.00 4.00 1.00  !   
assign (resid 37  and name hn )   (resid 37  and name hb )   3.50 3.50 0.50  !     
assign (resid 38  and name hn )   (resid 38  and name hb )   2.70 2.70 0.50  !     
assign (resid 41  and name hn )   (resid 41  and name hb )   3.50 3.50 0.50  !     
assign (resid 43  and name hn )   (resid 43  and name ha )   2.70 2.70 0.50  !      
assign (resid 43  and name hn )   (resid 43  and name hb2 )  3.50 3.50 0.50  !     
assign (resid 43  and name hn )   (resid 43  and name hb1 )  4.00 4.00 1.00  !     
assign (resid 43  and name hn )   (resid 43  and name hd1 )  3.50 3.50 0.50  !      
assign (resid 43  and name he1 )  (resid 43  and name hb1 )  4.50 4.50 1.00  !      
assign (resid 43  and name hd1)   (resid 43  and name hb2 )  3.50 3.50 0.50  !  
assign (resid 43  and name hd1)   (resid 43  and name hb1 )  3.50 3.50 0.50  !  
assign (resid 43  and name he3)   (resid 43  and name ha )   4.50 4.50 1.00  !
assign (resid 43  and name he3)   (resid 43  and name hb2 )  4.00 4.00 1.00  !  
assign (resid 43  and name he3)   (resid 43  and name hb1 )  4.00 4.00 1.00  !  
assign (resid 44  and name hn )   (resid 44  and name hb2 )  3.50 3.50 0.50  !      
assign (resid 44  and name hn )   (resid 44  and name hb1 )  2.70 2.70 0.50  !      
assign (resid 45  and name hn )   (resid 45  and name hb2 )  3.50 3.50 0.50  !     
assign (resid 46  and name hn )   (resid 46  and name hb2 )  2.70 2.70 0.50  !      
assign (resid 46  and name hn )   (resid 46  and name hb1 )  4.00 4.00 1.00  !     
assign (resid 49  and name hn )   (resid 49  and name hb )   4.00 4.00 1.00  !      
assign (resid 50  and name hn )   (resid 50  and name hb )   2.70 2.70 0.50  !      
assign (resid 50  and name hn )   (resid 50  and name hg11 ) 3.50 3.50 0.50  !      
assign (resid 50  and name hn )   (resid 50  and name hg12 ) 4.00 4.00 1.00  !      
assign (resid 51  and name hn )   (resid 51  and name hb2 )  3.50 3.50 0.50  !      
assign (resid 52  and name hn )   (resid 52  and name ha )   2.70 2.70 0.50  !   
assign (resid 52  and name hn )   (resid 52  and name hb )   3.50 3.50 0.50  !   
assign (resid 55  and name hn )   (resid 55  and name ha )   2.70 2.70 0.50  !   
assign (resid 56  and name hn )   (resid 56  and name ha )   2.70 2.70 0.50  !   
assign (resid 57  and name hn )   (resid 57  and name ha )   2.70 2.70 0.50  !   
!
! Ambigously assigned NOEs to be treated with r^6 sum averaging
!
class ambig
!
assign  (resid 6   and name hn)    ((resid 8 or resid 50)  and name hn )     4.50 4.50 1.00  !    
assign ((resid 11  and name ha)  or (resid 42 and name hd2))   (resid 14  and name hg1)   3.50 3.50 0.50  !
assign ((resid 11  and name ha)  or (resid 42 and name hd2))   (resid 14  and name hg2)   4.00 4.00 1.00  !
assign ((resid 11  and name ha)  or (resid 42 and name hd2))   (resid 41  and name hg1*)  3.50 3.50 0.50  !
assign ((resid 11  and name ha)  or (resid 42 and name hd2))   (resid 41  and name hg2*)  3.50 3.50 0.50  !
assign ((resid 12  and name hg*) or (resid 14 and name hg1))   (resid 13  and name hn )   4.50 4.50 1.00  !      
assign ((resid 12  and name hg*) or (resid 14 and name hg1) )  (resid 41  and name hg1*)  4.50 4.50 1.00  !    
assign  (resid 15  and name hn)    ((resid 42 and name hb2) or (resid 14 and name hd1))   4.50 4.50 1.00  !     
assign ((resid 16  or resid 44)  and name hb1)   (resid 17  and name hn )    4.00 4.00 1.00  !    
assign ((resid 16  or resid 44)  and name hb1)   (resid 18  and name hn )    4.00 4.00 1.00  !     
assign ((resid 16  or resid 17)  and name ha )   (resid 18  and name hn )    2.70 2.70 0.50  ! 
assign ((resid 17  or resid 32)  and name hb2 )  (resid 46  and name hn )    3.50 3.50 0.50  !    
assign ((resid 17  and name hb2) or (resid 28 and name hb*)) (resid 32 and name hn) 4.50 4.50 1.00  !
assign  (resid 18  and name hn )    (resid 42 and (name hb1 or name hb2) )   4.50 4.50 1.00  !    
assign  (resid 18  and name ha*)   ((resid 44 or resid 16) and name hb1)     3.50 3.50 0.50  !  
assign  (resid 18  and name hn)    ((resid 17 and name hb1) or (resid 44 and name hb2))   3.50 3.50 0.50  !    
assign ((resid 18  and name ha*) or (resid 19 and name hb1) )  (resid 19  and name hn )   2.70 2.70 0.50  !     
assign  (resid 18  and name ha*)    (resid 22 and (name hb or name hg1* ))   4.50 4.50 1.00  !  
assign  (resid 19  and name hn )    (resid 22 and (name hb or name hg1* ))   4.00 4.00 1.00  !   
assign  (resid 19  and name hd*)    (resid 22 and (name hb or name hg1* ))   3.50 3.50 0.50  !   
assign ((resid 19  or resid 34)  and name he*)    (resid 23  and name hn)    4.00 4.00 1.00  !   
assign  (resid 20  and name hd* )   (resid 21 and name hn )                  3.50 3.50 0.50  !      
assign  (resid 22  and (name hb or name hg1*))    (resid 23  and name ha)    4.00 4.00 1.00  !  
assign  (resid 22  and (name hg1* or name hb))    (resid 23  and name hn )   4.00 4.00 1.00  !    
assign  (resid 22  and (name hb or name hg1*))    (resid 26  and name hn )   4.50 4.50 1.00  !     
assign  (resid 22  and (name hb or name hg1*))    (resid 26  and name he21 ) 4.00 4.00 1.00  !      
assign  (resid 22  and (name hg1* or name hb))    (resid 44  and name hb1)   4.00 4.00 1.00  !   
assign  (resid 22  and name hn )    (resid 22 and (name hb or name hg1*))    2.30 2.30 0.50  !   
assign  (resid 23  and name hn )    (resid 24 and (name hd2 or name hd1))    4.00 4.00 1.00  !    
assign  (resid 25  and name hn )    (resid 24 and (name hb1 or name hb2 ))   3.50 3.50 0.50  !      
assign  (resid 28  and (name hb1 or name hb2))    (resid 30  and name hn )   4.50 4.50 1.00  !     
assign  (resid 29  and name hn )    (resid 29 and (name hb2 or name hb1) )   2.70 2.70 0.50  !      
assign  (resid 29  and (name hb1 or name hb2))    (resid 30  and name hn )   2.70 2.70 0.50  !      
assign  (resid 30  and (name hb1 or name hb2))    (resid 31  and name hn )   4.00 4.00 1.00  !     
assign  (resid 30  and (name hb1 or name hb2))    (resid 32  and name hn )   4.00 4.00 1.00  !     
assign  (resid 29  and name hn )   ((resid 26 and  name hb1) or (resid 30 and name hb*)) 4.50 4.50 1.00  !
assign  (resid 36  and name hn )   ((resid 35 and  name hb1) or (resid 43  and name hb2) )  4.00 4.00 1.00  ! 
assign  (resid 45  and name hn )   ((resid 45 or   resid 17)  and name hb1 ) 3.50 3.50 0.50  !      
assign  (resid 50  and (name hg2* or name hd1*))  (resid 51  and name hn )   4.00 4.00 1.00  !      
assign  (resid 50  and name hn )    (resid 50 and (name hg2* or name hd1*))  4.00 4.00 1.00  !   
assign  (resid 51  and name hn )   ((resid 52 or   resid 50)  and name hn )  4.00 4.00 1.00  !      
!
!
! Hydrogen bond related constraints to be centre averaged
! 
class hbonds
assign (resid  48 and name hn)    (resid   6 and name o)    2.00  0.30  0.30
assign (resid  48 and name n)     (resid   6 and name o)    3.00  0.30  0.30
assign (resid  17 and name hn )   (resid  44 and name o )   2.00  0.30  0.30
assign (resid  17 and name n )    (resid  44 and name o )   3.00  0.30  0.30
assign (resid  27 and name hn )   (resid  23 and name o )   2.00  0.30  0.30
assign (resid  27 and name n )    (resid  23 and name o )   3.00  0.30  0.30
assign (resid  28 and name hn )   (resid  24 and name o )   2.00  0.30  0.30
assign (resid  28 and name n )    (resid  24 and name o )   3.00  0.30  0.30
assign (resid  29 and name hn )   (resid  25 and name o )   2.00  0.30  0.30
assign (resid  29 and name n )    (resid  25 and name o )   3.00  0.30  0.30
assign (resid  33 and name hn )   (resid  45 and name o )   2.00  0.30  0.30
assign (resid  33 and name n )    (resid  45 and name o )   3.00  0.30  0.30
assign (resid  35 and name hn )   (resid  43 and name o )   2.00  0.30  0.30
assign (resid  35 and name n )    (resid  43 and name o )   3.00  0.30  0.30
assign (resid  45 and name hn )   (resid  33 and name o )   2.00  0.30  0.30
assign (resid  45 and name n )    (resid  33 and name o )   3.00  0.30  0.30
!
!
! Dihedral constraints for pS2 structure calulation - XPLOR format
!
! PHI angles
!
!  Ala-2
assign ( resid 1 and name c ) ( resid 2 and name n ) 
( resid 2 and name ca ) ( resid 2 and name c )   1.0   -120.0    50.0 2  
!  Gln-3
assign ( resid 2 and name c ) ( resid 3 and name n ) 
( resid 3 and name ca ) ( resid 3 and name c )   1.0   -120.0    40.0 2  
!  Thr-4
assign ( resid 3 and name c ) ( resid 4 and name n ) 
( resid 4 and name ca ) ( resid 4 and name c )   1.0   -120.0    50.0 2  
!  Glu-5
assign ( resid 4 and name c ) ( resid 5 and name n ) 
( resid 5 and name ca ) ( resid 5 and name c )   1.0    -80.0    30.0 2  
!  Thr-6
assign ( resid 5 and name c ) ( resid 6 and name n ) 
( resid 6 and name ca ) ( resid 6 and name c )   1.0   -120.0    30.0 2  
!  Cys-7
assign ( resid 6 and name c ) ( resid 7 and name n ) 
( resid 7 and name ca ) ( resid 7 and name c )   1.0   -120.0    40.0 2  
!  Thr-8 
assign ( resid 7 and name c ) ( resid 8 and name n ) 
( resid 8 and name ca ) ( resid 8 and name c )   1.0   -110.0    40.0 2  
!  Val-9 
assign ( resid 8 and name c ) ( resid 9 and name n ) 
( resid 9 and name ca ) ( resid 9 and name c )   1.0   -120.0    30.0 2  
! Ala-10
assign ( resid 9 and name c ) ( resid 10 and name n ) 
( resid 10 and name ca ) ( resid 10 and name c ) 1.0    -50.0    50.0 2  
! Arg-12
assign ( resid 11 and name c ) ( resid 12 and name n ) 
( resid 12 and name ca ) ( resid 12 and name c ) 1.0    -60.0    30.0 2  
! Gln-15
assign ( resid 14 and name c ) ( resid 15 and name n ) 
( resid 15 and name ca ) ( resid 15 and name c ) 1.0   -120.0    40.0 2  
! Asn-16
assign ( resid 15 and name c ) ( resid 16 and name n )  
( resid 16 and name ca ) ( resid 16 and name c )  1.0   -50.0    30.0 2  
! Cys-17
assign ( resid 16 and name c ) ( resid 17 and name n )  
( resid 17 and name ca ) ( resid 17 and name c )  1.0  -120.0    50.0 2  
! Phe-19
assign ( resid 18 and name c ) ( resid 19 and name n )  
( resid 19 and name ca ) ( resid 19 and name c )  1.0   -75.0    30.0 2  
! Val-22
assign ( resid 21 and name c ) ( resid 22 and name n ) 
( resid 22 and name ca ) ( resid 22 and name c ) 1.0    -50.0    40.0 2  
! Thr-23
assign ( resid 22 and name c ) ( resid 23 and name n ) 
( resid 23 and name ca ) ( resid 23 and name c ) 1.0   -140.0    40.0 2  
! Ser-25
assign ( resid 24 and name c ) ( resid 25 and name n ) 
( resid 25 and name ca ) ( resid 25 and name c ) 1.0    -60.0    50.0 2  
! Gln-26
assign ( resid 25 and name c ) ( resid 26 and name n ) 
( resid 26 and name ca ) ( resid 26 and name c ) 1.0    -70.0    50.0 2  
! Cys-27
assign ( resid 26 and name c ) ( resid 27 and name n ) 
( resid 27 and name ca ) ( resid 27 and name c ) 1.0    -60.0    40.0 2  
! Ala-28
assign ( resid 27 and name c ) ( resid 28 and name n ) 
( resid 28 and name ca ) ( resid 28 and name c ) 1.0    -70.0    40.0 2  
! Asn-29
assign ( resid 28 and name c ) ( resid 29 and name n ) 
( resid 29 and name ca ) ( resid 29 and name c ) 1.0    -80.0    30.0 2  
! Lys-30
assign ( resid 29 and name c ) ( resid 30 and name n ) 
( resid 30 and name ca ) ( resid 30 and name c ) 1.0    -90.0    40.0 2   
! Cys-32
assign ( resid 31 and name c ) ( resid 32 and name n ) 
( resid 32 and name ca ) ( resid 32 and name c ) 1.0   -100.0    50.0 2  
! Cys-33
assign ( resid 32 and name c ) ( resid 33 and name n )  
( resid 33 and name ca ) ( resid 33 and name c ) 1.0   -100.0    50.0 2  
! Phe-34
assign ( resid 33 and name c ) ( resid 34 and name n ) 
( resid 34 and name ca ) ( resid 34 and name c ) 1.0   -110.0    40.0 2  
! Asp-35 
assign ( resid 34 and name c ) ( resid 35 and name n ) 
( resid 35 and name ca ) ( resid 35 and name c ) 1.0   -130.0    40.0 2  
! Asp-36 
assign ( resid 35 and name c ) ( resid 36 and name n ) 
( resid 36 and name ca ) ( resid 36 and name c ) 1.0   -110.0    40.0 2  
! Thr-37 
assign ( resid 36 and name c ) ( resid 37 and name n ) 
( resid 37 and name ca ) ( resid 37 and name c ) 1.0   -80.0     40.0 2  
! Val-38 
assign ( resid 37 and name c ) ( resid 38 and name n ) 
( resid 38 and name ca ) ( resid 38 and name c ) 1.0   -120.0    40.0 2  
! Arg-39 
assign ( resid 38 and name c ) ( resid 39 and name n ) 
( resid 39 and name ca ) ( resid 39 and name c ) 1.0   -80.0     50.0 2  
! Val-41 
assign ( resid 40 and name c ) ( resid 41 and name n ) 
( resid 41 and name ca ) ( resid 41 and name c ) 1.0   -110.0    40.0 2  
! Trp-43 
assign ( resid 42 and name c ) ( resid 43 and name n ) 
( resid 43 and name ca ) ( resid 43 and name c )  1.0   -75.0    40.0 2  
! Cys-44 
assign ( resid 43 and name c ) ( resid 44 and name n ) 
( resid 44 and name ca ) ( resid 44 and name c ) 1.0   -100.0    40.0 2  
! Phe-45 
assign ( resid 44 and name c ) ( resid 45 and name n ) 
( resid 45 and name ca ) ( resid 45 and name c ) 1.0   -120.0    40.0 2  
! Tyr-46 
assign ( resid 45 and name c ) ( resid 46 and name n )  
( resid 46 and name ca ) ( resid 46 and name c ) 1.0    -70.0    40.0 2  
! Asn-48 
assign ( resid 47 and name c ) ( resid 48 and name n ) 
( resid 48 and name ca ) ( resid 48 and name c ) 1.0   -150.0    30.0 2  
! Thr-49 
assign ( resid 48 and name c ) ( resid 49 and name n ) 
( resid 49 and name ca ) ( resid 49 and name c ) 1.0    -90.0    30.0 2  
! Ile-50 
assign ( resid 49 and name c ) ( resid 50 and name n ) 
( resid 50 and name ca ) ( resid 50 and name c ) 1.0   -120.0    40.0 2  
! Asp-51 
assign ( resid 50 and name c ) ( resid 51 and name n ) 
( resid 51 and name ca ) ( resid 51 and name c ) 1.0   -120.0    45.0 2  
! Val-52 
assign ( resid 51 and name c ) ( resid 52 and name n ) 
( resid 52 and name ca ) ( resid 52 and name c ) 1.0   -120.0    50.0 2  
! Glu-55 
assign ( resid 54 and name c ) ( resid 55 and name n ) 
( resid 55 and name ca ) ( resid 55 and name c ) 1.0   -110.0    40.0 2  
! Glu-56 
assign ( resid 55 and name c ) ( resid 56 and name n ) 
( resid 56 and name ca ) ( resid 56 and name c ) 1.0   -110.0    40.0 2  
! Glu-57 
assign ( resid 56 and name c ) ( resid 57 and name n ) 
( resid 57 and name ca ) ( resid 57 and name c ) 1.0   -110.0    40.0 2  
! Ser-58 
assign ( resid 57 and name c ) ( resid 58 and name n ) 
( resid 58 and name ca ) ( resid 58 and name c ) 1.0   -110.0    40.0 2  
! Glu-59 
assign ( resid 58 and name c ) ( resid 59 and name n ) 
( resid 59 and name ca ) ( resid 59 and name c ) 1.0   -110.0    40.0 2  
! Phe-60 
assign ( resid 59 and name c ) ( resid 60 and name n ) 
( resid 60 and name ca ) ( resid 60 and name c ) 1.0   -110.0    40.0 2  
!
!
! PSI angles
!
! Gln-3
assign ( resid 3 and name n ) ( resid 3 and name ca ) 
( resid 3 and name c ) ( resid 4 and name n )    1.0    140.0    45.0 2  
! Thr-4
assign ( resid 4 and name n ) ( resid 4 and name ca ) 
( resid 4 and name c ) ( resid 5 and name n )    1.0    160.0    40.0 2  
! Glu-5
assign ( resid 5 and name n ) ( resid 5 and name ca ) 
( resid 5 and name c ) ( resid 6 and name n )    1.0    155.0    30.0 2  
! Thr-6
assign ( resid 6 and name n ) ( resid 6 and name ca )  
( resid 6 and name c ) ( resid 7 and name n )    1.0    120.0    60.0 2  
! Cys-7
assign ( resid 7 and name n ) ( resid 7 and name ca ) 
( resid 7 and name c ) ( resid 8 and name n )    1.0     10.0    35.0 2  
! Thr-8
assign ( resid 8 and name n ) ( resid 8 and name ca ) 
( resid 8 and name c ) ( resid 9 and name n )    1.0    120.0    90.0 2  
! Val-9
assign ( resid 9 and name n ) ( resid 9 and name ca ) 
( resid 9 and name c ) ( resid 10 and name n )   1.0    150.0    40.0 2 
! Ala-10
assign ( resid 10 and name n ) ( resid 10 and name ca ) 
( resid 10 and name c ) ( resid 11 and name n )  1.0    145.0    40.0 2  
! Pro-11
assign ( resid 11 and name n ) ( resid 11 and name ca ) 
( resid 11 and name c ) ( resid 12 and name n )  1.0    -55.0    40.0 2  
! Arg-12
assign ( resid 12 and name n ) ( resid 12 and name ca ) 
( resid 12 and name c ) ( resid 13 and name n )  1.0    -60.0    30.0 2  
! Glu-13
assign ( resid 13 and name n ) ( resid 13 and name ca ) 
( resid 13 and name c ) ( resid 14 and name n )  1.0     20.0    40.0 2  
! Arg-14
assign ( resid 14 and name n ) ( resid 14 and name ca ) 
( resid 14 and name c ) ( resid 15 and name n )  1.0    110.0    60.0 2  
! Gln-15
assign ( resid 15 and name n ) ( resid 15 and name ca ) 
( resid 15 and name c ) ( resid 16 and name n )  1.0    120.0    40.0 2  
! Asn-16
assign ( resid 16 and name n ) ( resid 16 and name ca ) 
( resid 16 and name c ) ( resid 17 and name n )  1.0    100.0    50.0 2  
! Cys-17
assign ( resid 17 and name n ) ( resid 17 and name ca ) 
( resid 17 and name c ) ( resid 18 and name n )  1.0     -5.0    45.0 2  
! Phe-19
assign ( resid 19 and name n ) ( resid 19 and name ca ) 
( resid 19 and name c ) ( resid 20 and name n )  1.0    130.0    60.0 2  
! Pro-20
assign ( resid 20 and name n ) ( resid 20 and name ca ) 
( resid 20 and name c ) ( resid 21 and name n )  1.0    -90.0    80.0 2  
! Val-22
assign ( resid 22 and name n ) ( resid 22 and name ca ) 
( resid 22 and name c ) ( resid 23 and name n )  1.0    150.0    40.0 2  
! Thr-23
assign ( resid 23 and name n ) ( resid 23 and name ca ) 
( resid 23 and name c ) ( resid 24 and name n )  1.0    155.0    40.0 2  
! Ser-25
assign ( resid 25 and name n ) ( resid 25 and name ca ) 
( resid 25 and name c ) ( resid 26 and name n )  1.0    -50.0    40.0 2  
! Gln-26
assign ( resid 26 and name n ) ( resid 26 and name ca ) 
( resid 26 and name c ) ( resid 27 and name n )  1.0    -60.0    40.0 2  
! Cys-27
assign ( resid 27 and name n ) ( resid 27 and name ca ) 
( resid 27 and name c ) ( resid 28 and name n )  1.0    -40.0    50.0 2  
! Ala-28
assign ( resid 28 and name n ) ( resid 28 and name ca ) 
( resid 28 and name c ) ( resid 29 and name n )  1.0    -40.0    40.0 2  
! Asn-29
assign ( resid 29 and name n ) ( resid 29 and name ca ) 
( resid 29 and name c ) ( resid 30 and name n )  1.0    -55.0    50.0 2  
! Lys-30
assign ( resid 30 and name n ) ( resid 30 and name ca ) 
( resid 30 and name c ) ( resid 31 and name n )  1.0     30.0    90.0 2  
! Cys-32
assign ( resid 32 and name n ) ( resid 32 and name ca ) 
( resid 32 and name c ) ( resid 33 and name n )  1.0    160.0    40.0 2  
! Cys-33
assign ( resid 33 and name n ) ( resid 33 and name ca ) 
( resid 33 and name c ) ( resid 34 and name n )  1.0    120.0    35.0 2  
! Phe-34
assign ( resid 34 and name n ) ( resid 34 and name ca ) 
( resid 34 and name c ) ( resid 35 and name n )  1.0    120.0    40.0 2  
! Asp-35
assign ( resid 35 and name n ) ( resid 35 and name ca ) 
( resid 35 and name c ) ( resid 36 and name n )  1.0    120.0    40.0 2  
! Thr-37
assign ( resid 37 and name n ) ( resid 37 and name ca ) 
( resid 37 and name c ) ( resid 38 and name n )  1.0    -40.0    35.0 2  
! Val-38
assign ( resid 38 and name n ) ( resid 38 and name ca ) 
( resid 38 and name c ) ( resid 39 and name n )  1.0    135.0    40.0 2  
! Arg-39
assign ( resid 39 and name n ) ( resid 39 and name ca ) 
( resid 39 and name c ) ( resid 40 and name n )  1.0    170.0    30.0 2   
! Val-41
assign ( resid 41 and name n ) ( resid 41 and name ca ) 
( resid 41 and name c ) ( resid 42 and name n )  1.0    160.0    30.0 2  
! Pro-42
assign ( resid 42 and name n ) ( resid 42 and name ca ) 
( resid 42 and name c ) ( resid 43 and name n )  1.0    150.0    30.0 2  
! Trp-43
assign ( resid 43 and name n ) ( resid 43 and name ca ) 
( resid 43 and name c ) ( resid 44 and name n )  1.0    -60.0    50.0 2  
! Cys-44
assign ( resid 44 and name n ) ( resid 44 and name ca ) 
( resid 44 and name c ) ( resid 45 and name n )  1.0    120.0    45.0 2  
! Phe-45
assign ( resid 45 and name n ) ( resid 45 and name ca ) 
( resid 45 and name c ) ( resid 46 and name n )  1.0    110.0    80.0 2  
! Tyr-46 
assign ( resid 46 and name n ) ( resid 46 and name ca ) 
(resid 46 and name c ) ( resid 47 and name n )   1.0    175.0    40.0 2  
! Pro-47
assign ( resid 47 and name n ) ( resid 47 and name ca ) 
( resid 47 and name c ) ( resid 48 and name n )  1.0    175.0    40.0 2  
! Asn-48
assign ( resid 48 and name n ) ( resid 48 and name ca ) 
( resid 48 and name c ) ( resid 49 and name n )  1.0    130.0    50.0 2  
! Thr-49
assign ( resid 49 and name n ) ( resid 49 and name ca ) 
( resid 49 and name c ) ( resid 50 and name n )  1.0    120.0    50.0 2  
! Ile-50
assign ( resid 50 and name n ) ( resid 50 and name ca ) 
( resid 50 and name c ) ( resid 51 and name n )  1.0    130.0    40.0 2  
! Asp-51
assign ( resid 51 and name n ) ( resid 51 and name ca ) 
( resid 51 and name c ) ( resid 52 and name n )  1.0    145.0    50.0 2  
! Val-52
assign ( resid 52 and name n ) ( resid 52 and name ca ) 
( resid 52 and name c ) ( resid 53 and name n )  1.0    120.0    40.0 2  
! Glu-55
assign ( resid 55 and name n ) ( resid 55 and name ca ) 
( resid 55 and name c ) ( resid 56 and name n )  1.0    140.0    40.0 2  
! Glu-56
assign ( resid 56 and name n ) ( resid 56 and name ca ) 
( resid 56 and name c ) ( resid 57 and name n )  1.0    140.0    40.0 2  
! Glu-57
assign ( resid 57 and name n ) ( resid 57 and name ca ) 
( resid 57 and name c ) ( resid 58 and name n )  1.0    140.0    40.0 2  
! Ser-58
assign ( resid 58 and name n ) ( resid 58 and name ca ) 
( resid 58 and name c ) ( resid 59 and name n )  1.0    140.0    40.0 2  
! Glu-59
assign ( resid 59 and name n ) ( resid 59 and name ca ) 
( resid 59 and name c ) ( resid 60 and name n )  1.0    140.0    40.0 2  
!
!
!
! CHI-1 angles
!
! Gln-3
assign ( resid 3 and name n ) ( resid 3 and name ca ) 
( resid 3 and name cb ) ( resid 3 and name cg)   1.0    -60.0    40.0 2  
! Thr-4
assign ( resid 4 and name n ) ( resid 4 and name ca ) 
( resid 4 and name cb ) ( resid 4 and name og1)  1.0     45.0    40.0 2  
! Glu-5
assign ( resid 5 and name n ) ( resid 5 and name ca ) 
( resid 5 and name cb ) ( resid 5 and name cg)   1.0    -60.0    40.0 2  
! Thr-6
assign ( resid 6 and name n ) ( resid 6 and name ca ) 
( resid 6 and name cb ) ( resid 6 and name og1)  1.0   -120.0   100.0 2  
! Cys-7
assign ( resid 7 and name n ) ( resid 7 and name ca ) 
( resid 7 and name cb ) ( resid 7 and name sg )  1.0    -60.0    40.0 2  
! Thr-8
assign ( resid 8 and name n ) ( resid 8 and name ca ) 
( resid 8 and name cb ) ( resid 8 and name og1)  1.0    180.0    30.0 2  
! Val-9
assign ( resid 9 and name n ) ( resid 9 and name ca ) 
( resid 9 and name cb ) ( resid 9 and name cg1 ) 1.0   -180.0    30.0 2  
! Pro-11
assign ( resid 11 and name n ) ( resid 11 and name ca ) 
( resid 11 and name cb ) ( resid 11 and name cg) 1.0    -45.0    30.0 2  
! Glu-13
assign ( resid 13 and name n ) ( resid 13 and name ca ) 
( resid 13 and name cb ) ( resid 13 and name cg) 1.0    -60.0    30.0 2  
! Arg-14
assign ( resid 14 and name n ) ( resid 14 and name ca ) 
( resid 14 and name cb ) ( resid 14 and name cg ) 1.0    -70.0   40.0 2  
! Glu-16
assign ( resid 16 and name n ) ( resid 16 and name ca ) 
( resid 16 and name cb ) ( resid 16 and name cg ) 1.0    190.0   30.0 2  
! Cys-17
assign ( resid 17 and name n ) ( resid 17 and name ca )  
( resid 17 and name cb ) ( resid 17 and name sg ) 1.0    180.0   30.0 2  
! Phe-19
assign ( resid 19 and name n ) ( resid 19 and name ca ) 
( resid 19 and name cb ) ( resid 19 and name cg ) 1.0     50.0   30.0 2  
! Pro-20
assign ( resid 20 and name n ) ( resid 20 and name ca ) 
( resid 20 and name cb ) ( resid 20 and name cg ) 1.0     45.0   30.0 2  
! Val-22
assign ( resid 22 and name n ) ( resid 22 and name ca )   
( resid 22 and name cb ) ( resid 22 and name cg1) 1.0    -70.0   30.0 2  
! Thr-23
assign ( resid 23 and name n ) ( resid 23 and name ca )  
( resid 23 and name cb ) ( resid 23 and name og1) 1.0     50.0   30.0 2  
! Pro-24
assign ( resid 24 and name n ) ( resid 24 and name ca ) 
( resid 24 and name cb ) ( resid 24 and name cg ) 1.0      0.0   65.0 2  
! Gln-26
assign ( resid 26 and name n ) ( resid 26 and name ca )   
( resid 26 and name cb ) ( resid 26 and name cg ) 1.0    -70.0   40.0 2  
! Cys-27
assign ( resid 27 and name n ) ( resid 27 and name ca ) 
( resid 27 and name cb ) ( resid 27 and name sg ) 1.0   -165.0   30.0 2  
! Asn-29
assign ( resid 29 and name n ) ( resid 29 and name ca ) 
( resid 29 and name cb ) ( resid 29 and name cg ) 1.0    180.0   30.0 2  
! Cys-32
assign ( resid 32 and name n ) ( resid 32 and name ca ) 
( resid 32 and name cb ) ( resid 32 and name sg ) 1.0    -60.0   35.0 2  
! Cys-33
assign ( resid 33 and name n ) ( resid 33 and name ca ) 
( resid 33 and name cb ) ( resid 33 and name sg ) 1.0    -60.0   30.0 2  
! Phe-34
assign ( resid 34 and name n ) ( resid 34 and name ca ) 
( resid 34 and name cb ) ( resid 34 and name cg ) 1.0    180.0   30.0 2  
! Asp-35
assign ( resid 35 and name n ) ( resid 35 and name ca )   
( resid 35 and name cb ) ( resid 35 and name cg ) 1.0    170.0   30.0 2  
! Asp-36
assign ( resid 36 and name n ) ( resid 36 and name ca ) 
( resid 36 and name cb ) ( resid 36 and name cg ) 1.0     60.0   30.0 2  
! Thr-37
assign ( resid 37 and name n ) ( resid 37 and name ca ) 
( resid 37 and name cb ) ( resid 37 and name og1 ) 1.0    55.0   30.0 2  
! Val-38
assign ( resid 38 and name n ) ( resid 38 and name ca ) 
( resid 38 and name cb ) ( resid 38 and name cg1 ) 1.0   180.0   35.0 2  
! Val-41
assign ( resid 41 and name n ) ( resid 41 and name ca ) 
( resid 41 and name cb ) ( resid 41 and name cg1 ) 1.0   -60.0   30.0 2  
! Pro-42
assign ( resid 42 and name n ) ( resid 42 and name ca ) 
( resid 42 and name cb ) ( resid 42 and name cg )  1.0    45.0   30.0 2  
! Trp-43
assign ( resid 43 and name n ) ( resid 43 and name ca ) 
( resid 43 and name cb ) ( resid 43 and name cg )  1.0   -60.0   35.0 2  
! Cys-44
assign ( resid 44 and name n ) ( resid 44 and name ca ) 
( resid 44 and name cb ) ( resid 44 and name sg ) 1.0    180.0   30.0 2  
! Phe-45
assign ( resid 45 and name n ) ( resid 45 and name ca ) 
( resid 45 and name cb ) ( resid 45 and name cg ) 1.0     60.0   30.0 2  
! Tyr-46
assign ( resid 46 and name n ) ( resid 46 and name ca )  
( resid 46 and name cb ) ( resid 46 and name cg ) 1.0    -60.0   35.0 2  
! Pro-47
assign ( resid 47 and name n ) ( resid 47 and name ca ) 
( resid 47 and name cb ) ( resid 47 and name cg )  1.0    45.0   30.0 2  
! Asn-48
assign ( resid 48 and name n ) ( resid 48 and name ca )  
( resid 48 and name cb ) ( resid 48 and name cg )  1.0   -60.0   40.0 2  
! Thr-49
assign ( resid 49 and name n ) ( resid 49 and name ca ) 
( resid 49 and name cb ) ( resid 49 and name og1 )  1.0   65.0   30.0 2  
! Ile-50
assign ( resid 50 and name n ) ( resid 50 and name ca ) 
( resid 50 and name cb ) ( resid 50 and name cg1 ) 1.0   -60.0   35.0 2  
! Val-52
assign ( resid 52 and name n ) ( resid 52 and name ca ) 
( resid 52 and name cb ) ( resid 52 and name cg1)  1.0   -60.0   35.0 2  
!
!
!
! CHI-2 angles
!
! Arg-14
assign ( resid 14 and name ca ) ( resid 14 and name cb ) 
( resid 14 and name cg  ) ( resid 14 and name cd  ) 1.0  180.0   30.0 2  
! Ile-50
assign ( resid 50 and name ca ) ( resid 50 and name cb ) 
( resid 50 and name cg1 ) ( resid 50 and name cd1 ) 1.0  180.0   30.0 2  
!
!
! CHI-3 angles
!
! Arg-14
assign ( resid 14 and name cb ) ( resid 14 and name cg ) 
( resid 14 and name cd  ) ( resid 14 and name ne  ) 1.0  180.0   30.0 2  
!
!
! CHI-4 angles
!
! Arg-14
assign ( resid 14 and name cg ) ( resid 14 and name cd ) 
( resid 14 and name ne  ) ( resid 14 and name cz  ) 1.0  180.0   30.0 2  
!

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    GLU   1           HT2      GLU   1   5.656 -17.762 -17.762
    2   2H    GLU   1           HT1      GLU   1   6.979 -18.827 -18.827
    3   3H    GLU   1           HT3      GLU   1   7.189 -17.248 -17.248
    4    HA   GLU   1           HA       GLU   1   7.880 -16.774 -16.774
    5   1HB   GLU   1           HB2      GLU   1   7.348 -18.255 -18.255
    6   2HB   GLU   1           HB1      GLU   1   8.099 -19.122 -19.122
    7   1HG   GLU   1           HG2      GLU   1   6.143 -20.226 -20.226
    8   2HG   GLU   1           HG1      GLU   1   5.112 -18.945 -18.945
    9    H    ALA   2           HN       ALA   2   6.993 -15.586 -15.586
   10    HA   ALA   2           HA       ALA   2   4.138 -15.465 -15.465
   11   1HB   ALA   2           HB2      ALA   2   5.548 -13.363 -13.363
   12   2HB   ALA   2           HB1      ALA   2   4.142 -12.944 -12.944
   13   3HB   ALA   2           HB3      ALA   2   3.997 -14.144 -14.144
   14    H    GLN   3           HN       GLN   3   3.607 -13.679 -13.679
   15    HA   GLN   3           HA       GLN   3   5.953 -13.283 -13.283
   16   1HB   GLN   3           HB2      GLN   3   3.000 -13.590 -13.590
   17   2HB   GLN   3           HB1      GLN   3   4.136 -12.981 -12.981
   18   1HG   GLN   3           HG2      GLN   3   4.349 -15.196 -15.196
   19   2HG   GLN   3           HG1      GLN   3   5.476 -15.188 -15.188
   20   1HE2  GLN   3          HE22      GLN   3   1.696 -16.696 -16.696
   21   2HE2  GLN   3          HE21      GLN   3   1.904 -15.475 -15.475
   22    H    THR   4           HN       THR   4   5.646 -11.230 -11.230
   23    HA   THR   4           HA       THR   4   4.396  -9.063  -9.063
   24    HB   THR   4           HB       THR   4   6.395  -7.651  -7.651
   25    HG1  THR   4           HG1      THR   4   7.071 -10.174 -10.174
   26   1HG2  THR   4          HG22      THR   4   6.766  -9.961  -9.961
   27   2HG2  THR   4          HG21      THR   4   7.851  -8.573  -8.573
   28   3HG2  THR   4          HG23      THR   4   6.171  -8.345  -8.345
   29    H    GLU   5           HN       GLU   5   3.448  -7.403  -7.403
   30    HA   GLU   5           HA       GLU   5   2.955  -8.092  -8.092
   31   1HB   GLU   5           HB2      GLU   5   1.894  -6.043  -6.043
   32   2HB   GLU   5           HB1      GLU   5   1.603  -5.860  -5.860
   33   1HG   GLU   5           HG2      GLU   5   0.915  -8.436  -8.436
   34   2HG   GLU   5           HG1      GLU   5   0.568  -7.926  -7.926
   35    H    THR   6           HN       THR   6   3.833  -7.010  -7.010
   36    HA   THR   6           HA       THR   6   5.296  -4.508  -4.508
   37    HB   THR   6           HB       THR   6   6.706  -6.773  -6.773
   38    HG1  THR   6           HG1      THR   6   7.831  -6.898  -6.898
   39   1HG2  THR   6          HG22      THR   6   7.448  -4.112  -4.112
   40   2HG2  THR   6          HG21      THR   6   8.670  -5.352  -5.352
   41   3HG2  THR   6          HG23      THR   6   7.740  -4.703  -4.703
   42    H    CYS   7           HN       CYS   7   4.777  -3.158  -3.158
   43    HA   CYS   7           HA       CYS   7   3.935  -4.411  -4.411
   44   1HB   CYS   7           HB2      CYS   7   3.171  -1.726  -1.726
   45   2HB   CYS   7           HB1      CYS   7   2.634  -2.338  -2.338
   46    H    THR   8           HN       THR   8   6.314  -2.447  -2.447
   47    HA   THR   8           HA       THR   8   7.016  -0.808  -0.808
   48    HB   THR   8           HB       THR   8   7.722  -0.125  -0.125
   49    HG1  THR   8           HG1      THR   8  10.089  -1.085  -1.085
   50   1HG2  THR   8          HG22      THR   8   8.398  -2.941  -2.941
   51   2HG2  THR   8          HG21      THR   8   9.753  -1.918  -1.918
   52   3HG2  THR   8          HG23      THR   8   8.186  -1.728  -1.728
   53    H    VAL   9           HN       VAL   9   7.309  -2.077  -2.077
   54    HA   VAL   9           HA       VAL   9   9.527  -4.049  -4.049
   55    HB   VAL   9           HB       VAL   9   7.204  -4.022  -4.022
   56   1HG1  VAL   9          HG12      VAL   9   9.661  -5.684  -5.684
   57   2HG1  VAL   9          HG11      VAL   9   8.183  -6.504  -6.504
   58   3HG1  VAL   9          HG13      VAL   9   8.845  -5.204  -5.204
   59   1HG2  VAL   9          HG23      VAL   9   7.642  -5.367  -5.367
   60   2HG2  VAL   9          HG22      VAL   9   6.159  -4.699  -4.699
   61   3HG2  VAL   9          HG21      VAL   9   6.776  -6.246  -6.246
   62    H    ALA  10           HN       ALA  10  10.657  -4.264  -4.264
   63    HA   ALA  10           HA       ALA  10  11.631  -1.715  -1.715
   64   1HB   ALA  10           HB2      ALA  10  12.120  -4.506  -4.506
   65   2HB   ALA  10           HB1      ALA  10  12.246  -3.455  -3.455
   66   3HB   ALA  10           HB3      ALA  10  13.242  -3.147  -3.147
   67    HA   PRO  11           HA       PRO  11   8.175  -0.142  -0.142
   68   1HB   PRO  11           HB2      PRO  11  10.264   0.987   0.987
   69   2HB   PRO  11           HB1      PRO  11   9.006   1.811   1.811
   70   1HG   PRO  11           HG2      PRO  11  11.761   1.509   1.509
   71   2HG   PRO  11           HG1      PRO  11  10.496   2.310   2.310
   72   1HD   PRO  11           HD2      PRO  11  11.812  -0.035  -0.035
   73   2HD   PRO  11           HD1      PRO  11  10.280   0.539   0.539
   74    H    ARG  12           HN       ARG  12  11.089  -1.384  -1.384
   75    HA   ARG  12           HA       ARG  12   9.557  -2.108  -2.108
   76   1HB   ARG  12           HB2      ARG  12  12.385  -2.512  -2.512
   77   2HB   ARG  12           HB1      ARG  12  11.780  -3.434  -3.434
   78   1HG   ARG  12           HG2      ARG  12  11.680  -1.599  -1.599
   79   2HG   ARG  12           HG1      ARG  12  11.159  -0.536  -0.536
   80   1HD   ARG  12           HD2      ARG  12  13.703  -1.130  -1.130
   81   2HD   ARG  12           HD1      ARG  12  13.888  -1.153  -1.153
   82    HE   ARG  12           HE       ARG  12  12.475   1.155   1.155
   83   1HH1  ARG  12          HH11      ARG  12  15.442  -0.238  -0.238
   84   2HH1  ARG  12          HH12      ARG  12  16.181   1.294   1.294
   85   1HH2  ARG  12          HH21      ARG  12  13.463   3.150   3.150
   86   2HH2  ARG  12          HH22      ARG  12  15.064   3.203   3.203
   87    H    GLU  13           HN       GLU  13  10.856  -3.847  -3.847
   88    HA   GLU  13           HA       GLU  13   9.849  -6.395  -6.395
   89   1HB   GLU  13           HB2      GLU  13  11.334  -5.475  -5.475
   90   2HB   GLU  13           HB1      GLU  13  10.526  -7.042  -7.042
   91   1HG   GLU  13           HG2      GLU  13  11.752  -7.703  -7.703
   92   2HG   GLU  13           HG1      GLU  13  12.561  -6.135  -6.135
   93    H    ARG  14           HN       ARG  14   7.830  -4.343  -4.343
   94    HA   ARG  14           HA       ARG  14   6.336  -5.250  -5.250
   95   1HB   ARG  14           HB2      ARG  14   6.287  -2.776  -2.776
   96   2HB   ARG  14           HB1      ARG  14   4.814  -3.260  -3.260
   97   1HG   ARG  14           HG2      ARG  14   6.473  -3.534  -3.534
   98   2HG   ARG  14           HG1      ARG  14   7.444  -2.383  -2.383
   99   1HD   ARG  14           HD2      ARG  14   5.241  -1.019  -1.019
  100   2HD   ARG  14           HD1      ARG  14   4.675  -2.023  -2.023
  101    HE   ARG  14           HE       ARG  14   7.034  -1.160  -1.160
  102   1HH1  ARG  14          HH11      ARG  14   4.454   0.509   0.509
  103   2HH1  ARG  14          HH12      ARG  14   4.751   2.021   2.021
  104   1HH2  ARG  14          HH21      ARG  14   7.407   0.831   0.831
  105   2HH2  ARG  14          HH22      ARG  14   6.418   2.201   2.201
  106    H    GLN  15           HN       GLN  15   4.238  -6.154  -6.154
  107    HA   GLN  15           HA       GLN  15   3.705  -7.210  -7.210
  108   1HB   GLN  15           HB2      GLN  15   2.694  -7.888  -7.888
  109   2HB   GLN  15           HB1      GLN  15   1.934  -8.537  -8.537
  110   1HG   GLN  15           HG2      GLN  15   3.524 -10.184 -10.184
  111   2HG   GLN  15           HG1      GLN  15   4.334  -9.245  -9.245
  112   1HE2  GLN  15          HE22      GLN  15   6.970  -8.313  -8.313
  113   2HE2  GLN  15          HE21      GLN  15   6.382  -8.478  -8.478
  114    H    ASN  16           HN       ASN  16   2.262  -6.148  -6.148
  115    HA   ASN  16           HA       ASN  16   0.737  -3.932  -3.932
  116   1HB   ASN  16           HB2      ASN  16   1.478  -4.501  -4.501
  117   2HB   ASN  16           HB1      ASN  16   0.102  -5.604  -5.604
  118   1HD2  ASN  16          HD22      ASN  16  -0.940  -1.682  -1.682
  119   2HD2  ASN  16          HD21      ASN  16   0.311  -2.376  -2.376
  120    H    CYS  17           HN       CYS  17  -1.081  -3.965  -3.965
  121    HA   CYS  17           HA       CYS  17  -2.624  -6.465  -6.465
  122   1HB   CYS  17           HB2      CYS  17  -1.909  -5.273  -5.273
  123   2HB   CYS  17           HB1      CYS  17  -2.885  -3.890  -3.890
  124    H    GLY  18           HN       GLY  18  -2.730  -3.354  -3.354
  125   1HA   GLY  18           HA2      GLY  18  -5.019  -3.927  -3.927
  126   2HA   GLY  18           HA1      GLY  18  -5.530  -2.950  -2.950
  127    H    PHE  19           HN       PHE  19  -5.928  -1.714  -1.714
  128    HA   PHE  19           HA       PHE  19  -3.687  -0.316  -0.316
  129   1HB   PHE  19           HB2      PHE  19  -5.486   1.291   1.291
  130   2HB   PHE  19           HB1      PHE  19  -5.622  -0.389  -0.389
  131    HD1  PHE  19           HD1      PHE  19  -7.262  -1.911  -1.911
  132    HD2  PHE  19           HD2      PHE  19  -7.199   2.338   2.338
  133    HE1  PHE  19           HE1      PHE  19  -9.557  -2.018  -2.018
  134    HE2  PHE  19           HE2      PHE  19  -9.499   2.227   2.227
  135    HZ   PHE  19           HZ       PHE  19 -10.674   0.051   0.051
  136    HA   PRO  20           HA       PRO  20  -3.138   2.951   2.951
  137   1HB   PRO  20           HB2      PRO  20  -2.557   5.081   5.081
  138   2HB   PRO  20           HB1      PRO  20  -1.413   3.845   3.845
  139   1HG   PRO  20           HG2      PRO  20  -2.455   4.270   4.270
  140   2HG   PRO  20           HG1      PRO  20  -1.284   3.058   3.058
  141   1HD   PRO  20           HD2      PRO  20  -4.136   2.736   2.736
  142   2HD   PRO  20           HD1      PRO  20  -2.883   1.495   1.495
  143    H    GLY  21           HN       GLY  21  -5.386   3.721   3.721
  144   1HA   GLY  21           HA2      GLY  21  -6.477   6.102   6.102
  145   2HA   GLY  21           HA1      GLY  21  -7.330   4.981   4.981
  146    H    VAL  22           HN       VAL  22  -6.509   2.984   2.984
  147    HA   VAL  22           HA       VAL  22  -9.108   2.821   2.821
  148    HB   VAL  22           HB       VAL  22  -7.997   1.436   1.436
  149   1HG1  VAL  22          HG13      VAL  22  -8.718   0.539   0.539
  150   2HG1  VAL  22          HG12      VAL  22  -7.059   0.764   0.764
  151   3HG1  VAL  22          HG11      VAL  22  -7.405  -0.365  -0.365
  152   1HG2  VAL  22          HG21      VAL  22  -5.543   2.410   2.410
  153   2HG2  VAL  22          HG23      VAL  22  -5.869   2.472   2.472
  154   3HG2  VAL  22          HG22      VAL  22  -5.531   0.926   0.926
  155    H    THR  23           HN       THR  23  -9.224   2.901   2.901
  156    HA   THR  23           HA       THR  23  -8.018   5.442   5.442
  157    HB   THR  23           HB       THR  23 -10.306   5.950   5.950
  158    HG1  THR  23           HG1      THR  23 -11.883   4.663   4.663
  159   1HG2  THR  23          HG23      THR  23  -9.673   6.068   6.068
  160   2HG2  THR  23          HG22      THR  23 -11.209   6.695   6.695
  161   3HG2  THR  23          HG21      THR  23  -9.691   7.375   7.375
  162    HA   PRO  24           HA       PRO  24  -6.926   3.712   3.712
  163   1HB   PRO  24           HB2      PRO  24  -8.904   5.362   5.362
  164   2HB   PRO  24           HB1      PRO  24  -7.138   5.388   5.388
  165   1HG   PRO  24           HG2      PRO  24  -8.871   7.145   7.145
  166   2HG   PRO  24           HG1      PRO  24  -7.113   7.230   7.230
  167   1HD   PRO  24           HD2      PRO  24  -8.389   6.667   6.667
  168   2HD   PRO  24           HD1      PRO  24  -6.718   6.200   6.200
  169    H    SER  25           HN       SER  25 -10.432   4.149   4.149
  170    HA   SER  25           HA       SER  25 -11.239   2.181   2.181
  171   1HB   SER  25           HB2      SER  25 -12.751   3.982   3.982
  172   2HB   SER  25           HB1      SER  25 -12.731   3.309   3.309
  173    HG   SER  25           HG       SER  25 -14.537   2.589   2.589
  174    H    GLN  26           HN       GLN  26 -10.881   2.166   2.166
  175    HA   GLN  26           HA       GLN  26 -11.735  -0.493  -0.493
  176   1HB   GLN  26           HB2      GLN  26 -10.011   1.441   1.441
  177   2HB   GLN  26           HB1      GLN  26 -10.062  -0.243  -0.243
  178   1HG   GLN  26           HG2      GLN  26 -12.594  -0.062  -0.062
  179   2HG   GLN  26           HG1      GLN  26 -12.390   1.675   1.675
  180   1HE2  GLN  26          HE22      GLN  26 -12.250   2.016   2.016
  181   2HE2  GLN  26          HE21      GLN  26 -12.999   2.477   2.477
  182    H    CYS  27           HN       CYS  27  -8.412   0.820   0.820
  183    HA   CYS  27           HA       CYS  27  -7.132  -1.718  -1.718
  184   1HB   CYS  27           HB2      CYS  27  -6.112   0.676   0.676
  185   2HB   CYS  27           HB1      CYS  27  -6.101   0.584   0.584
  186    H    ALA  28           HN       ALA  28  -8.851   0.011   0.011
  187    HA   ALA  28           HA       ALA  28  -7.858  -1.805  -1.805
  188   1HB   ALA  28           HB1      ALA  28  -8.265   0.578   0.578
  189   2HB   ALA  28           HB3      ALA  28  -9.968   0.369   0.369
  190   3HB   ALA  28           HB2      ALA  28  -9.281  -0.483  -0.483
  191    H    ASN  29           HN       ASN  29 -10.216  -1.947  -1.947
  192    HA   ASN  29           HA       ASN  29 -12.360  -3.170  -3.170
  193   1HB   ASN  29           HB2      ASN  29 -12.275  -2.128  -2.128
  194   2HB   ASN  29           HB1      ASN  29 -11.850  -3.779  -3.779
  195   1HD2  ASN  29          HD22      ASN  29 -15.515  -3.259  -3.259
  196   2HD2  ASN  29          HD21      ASN  29 -14.202  -2.312  -2.312
  197    H    LYS  30           HN       LYS  30  -9.704  -4.495  -4.495
  198    HA   LYS  30           HA       LYS  30 -10.392  -7.210  -7.210
  199   1HB   LYS  30           HB2      LYS  30  -8.283  -7.763  -7.763
  200   2HB   LYS  30           HB1      LYS  30  -9.584  -7.010  -7.010
  201   1HG   LYS  30           HG2      LYS  30  -7.928  -4.939  -4.939
  202   2HG   LYS  30           HG1      LYS  30  -6.899  -6.099  -6.099
  203   1HD   LYS  30           HD2      LYS  30  -8.516  -5.931  -5.931
  204   2HD   LYS  30           HD1      LYS  30  -9.244  -4.557  -4.557
  205   1HE   LYS  30           HE2      LYS  30  -7.563  -3.184  -3.184
  206   2HE   LYS  30           HE1      LYS  30  -6.335  -4.335  -4.335
  207   1HZ   LYS  30           HZ1      LYS  30  -6.848  -5.583  -5.583
  208   2HZ   LYS  30           HZ3      LYS  30  -7.770  -4.253  -4.253
  209   3HZ   LYS  30           HZ2      LYS  30  -6.102  -4.073  -4.073
  210    H    GLY  31           HN       GLY  31  -7.709  -4.884  -4.884
  211   1HA   GLY  31           HA2      GLY  31  -6.975  -4.890  -4.890
  212   2HA   GLY  31           HA1      GLY  31  -6.854  -6.639  -6.639
  213    H    CYS  32           HN       CYS  32  -5.922  -4.351  -4.351
  214    HA   CYS  32           HA       CYS  32  -3.206  -5.469  -5.469
  215   1HB   CYS  32           HB2      CYS  32  -4.866  -4.023  -4.023
  216   2HB   CYS  32           HB1      CYS  32  -3.119  -3.795  -3.795
  217    H    CYS  33           HN       CYS  33  -1.344  -4.184  -4.184
  218    HA   CYS  33           HA       CYS  33  -1.689  -1.939  -1.939
  219   1HB   CYS  33           HB2      CYS  33   0.792  -2.772  -2.772
  220   2HB   CYS  33           HB1      CYS  33   0.741  -1.735  -1.735
  221    H    PHE  34           HN       PHE  34  -2.384   0.054   0.054
  222    HA   PHE  34           HA       PHE  34  -1.871   0.861   0.861
  223   1HB   PHE  34           HB2      PHE  34  -4.159   1.097   1.097
  224   2HB   PHE  34           HB1      PHE  34  -3.484   2.280   2.280
  225    HD1  PHE  34           HD1      PHE  34  -4.188   1.565   1.565
  226    HD2  PHE  34           HD2      PHE  34  -2.922   4.509   4.509
  227    HE1  PHE  34           HE1      PHE  34  -4.436   3.335   3.335
  228    HE2  PHE  34           HE2      PHE  34  -3.170   6.281   6.281
  229    HZ   PHE  34           HZ       PHE  34  -3.927   5.694   5.694
  230    H    ASP  35           HN       ASP  35  -0.338   2.400   2.400
  231    HA   ASP  35           HA       ASP  35   0.653   4.169   4.169
  232   1HB   ASP  35           HB2      ASP  35   2.083   2.046   2.046
  233   2HB   ASP  35           HB1      ASP  35   2.568   2.642   2.642
  234    H    ASP  36           HN       ASP  36   0.264   6.160   6.160
  235    HA   ASP  36           HA       ASP  36   0.932   6.497   6.497
  236   1HB   ASP  36           HB2      ASP  36  -0.687   8.397   8.397
  237   2HB   ASP  36           HB1      ASP  36  -1.445   6.845   6.845
  238    H    THR  37           HN       THR  37   3.205   6.771   6.771
  239    HA   THR  37           HA       THR  37   3.510   9.555   9.555
  240    HB   THR  37           HB       THR  37   5.677   8.747   8.747
  241    HG1  THR  37           HG1      THR  37   6.295   6.756   6.756
  242   1HG2  THR  37          HG21      THR  37   3.062   7.484   7.484
  243   2HG2  THR  37          HG23      THR  37   4.538   7.175   7.175
  244   3HG2  THR  37          HG22      THR  37   3.921   8.821   8.821
  245    H    VAL  38           HN       VAL  38   4.820   7.058   7.058
  246    HA   VAL  38           HA       VAL  38   6.337   9.207   9.207
  247    HB   VAL  38           HB       VAL  38   6.760   6.207   6.207
  248   1HG1  VAL  38          HG13      VAL  38   8.052   8.603   8.603
  249   2HG1  VAL  38          HG12      VAL  38   9.064   7.221   7.221
  250   3HG1  VAL  38          HG11      VAL  38   7.714   7.021   7.021
  251   1HG2  VAL  38          HG21      VAL  38   8.105   8.380   8.380
  252   2HG2  VAL  38          HG23      VAL  38   7.342   6.904   6.904
  253   3HG2  VAL  38          HG22      VAL  38   8.858   6.813   6.813
  254    H    ARG  39           HN       ARG  39   6.500   8.814   8.814
  255    HA   ARG  39           HA       ARG  39   3.859   7.876   7.876
  256   1HB   ARG  39           HB2      ARG  39   4.860  10.384  10.384
  257   2HB   ARG  39           HB1      ARG  39   5.516   9.658   9.658
  258   1HG   ARG  39           HG2      ARG  39   3.094   8.742   8.742
  259   2HG   ARG  39           HG1      ARG  39   2.638  10.005  10.005
  260   1HD   ARG  39           HD2      ARG  39   4.450  10.810  10.810
  261   2HD   ARG  39           HD1      ARG  39   2.781  10.447  10.447
  262    HE   ARG  39           HE       ARG  39   2.625  12.103  12.103
  263   1HH1  ARG  39          HH21      ARG  39   3.988  12.238  12.238
  264   2HH1  ARG  39          HH22      ARG  39   3.798  13.953  13.953
  265   1HH2  ARG  39          HH11      ARG  39   2.387  14.350  14.350
  266   2HH2  ARG  39          HH12      ARG  39   2.896  15.142  15.142
  267    H    GLY  40           HN       GLY  40   4.089   7.294   7.294
  268   1HA   GLY  40           HA2      GLY  40   5.162   6.057   6.057
  269   2HA   GLY  40           HA1      GLY  40   6.641   6.102   6.102
  270    H    VAL  41           HN       VAL  41   5.496   5.069   5.069
  271    HA   VAL  41           HA       VAL  41   5.323   2.237   2.237
  272    HB   VAL  41           HB       VAL  41   5.676   1.852   1.852
  273   1HG1  VAL  41          HG12      VAL  41   7.514   2.431   2.431
  274   2HG1  VAL  41          HG11      VAL  41   7.774   3.823   3.823
  275   3HG1  VAL  41          HG13      VAL  41   7.954   2.189   2.189
  276   1HG2  VAL  41          HG23      VAL  41   4.578   4.003   4.003
  277   2HG2  VAL  41          HG22      VAL  41   6.152   3.738   3.738
  278   3HG2  VAL  41          HG21      VAL  41   5.996   4.866   4.866
  279    HA   PRO  42           HA       PRO  42   1.038   1.933   1.933
  280   1HB   PRO  42           HB2      PRO  42   1.044  -0.640  -0.640
  281   2HB   PRO  42           HB1      PRO  42   0.955  -0.245  -0.245
  282   1HG   PRO  42           HG2      PRO  42   3.082  -1.525  -1.525
  283   2HG   PRO  42           HG1      PRO  42   3.004  -1.095  -1.095
  284   1HD   PRO  42           HD2      PRO  42   4.384   0.291   0.291
  285   2HD   PRO  42           HD1      PRO  42   4.666   0.395   0.395
  286    H    TRP  43           HN       TRP  43  -0.291   2.423   2.423
  287    HA   TRP  43           HA       TRP  43   1.056   2.673   2.673
  288   1HB   TRP  43           HB2      TRP  43  -1.751   3.482   3.482
  289   2HB   TRP  43           HB1      TRP  43  -0.894   3.978   3.978
  290    HD1  TRP  43           HD1      TRP  43   1.922   4.658   4.658
  291    HE1  TRP  43           HE1      TRP  43   2.188   6.737   6.737
  292    HE3  TRP  43           HE3      TRP  43  -2.936   5.358   5.358
  293    HZ2  TRP  43           HZ2      TRP  43   0.558   8.466   8.466
  294    HZ3  TRP  43           HZ3      TRP  43  -3.550   7.226   7.226
  295    HH2  TRP  43           HH2      TRP  43  -1.812   8.781   8.781
  296    H    CYS  44           HN       CYS  44  -1.752   0.946   0.946
  297    HA   CYS  44           HA       CYS  44  -2.247  -0.384  -0.384
  298   1HB   CYS  44           HB2      CYS  44  -4.087   0.380   0.380
  299   2HB   CYS  44           HB1      CYS  44  -3.583  -0.922  -0.922
  300    H    PHE  45           HN       PHE  45  -0.763  -1.992  -1.992
  301    HA   PHE  45           HA       PHE  45  -0.362  -4.049  -4.049
  302   1HB   PHE  45           HB2      PHE  45   2.009  -4.223  -4.223
  303   2HB   PHE  45           HB1      PHE  45   1.642  -2.573  -2.573
  304    HD1  PHE  45           HD1      PHE  45   0.966  -0.936  -0.936
  305    HD2  PHE  45           HD2      PHE  45   3.191  -4.572  -4.572
  306    HE1  PHE  45           HE1      PHE  45   1.853  -0.103  -0.103
  307    HE2  PHE  45           HE2      PHE  45   4.078  -3.745  -3.745
  308    HZ   PHE  45           HZ       PHE  45   3.410  -1.509  -1.509
  309    H    TYR  46           HN       TYR  46   0.720  -6.086  -6.086
  310    HA   TYR  46           HA       TYR  46  -1.010  -6.760  -6.760
  311   1HB   TYR  46           HB2      TYR  46   1.109  -8.333  -8.333
  312   2HB   TYR  46           HB1      TYR  46   0.085  -9.003  -9.003
  313    HD1  TYR  46           HD2      TYR  46  -2.454  -8.891  -8.891
  314    HD2  TYR  46           HD1      TYR  46   0.323  -8.162  -8.162
  315    HE1  TYR  46           HE2      TYR  46  -4.257  -9.284  -9.284
  316    HE2  TYR  46           HE1      TYR  46  -1.480  -8.555  -8.555
  317    HH   TYR  46           HH       TYR  46  -4.786  -9.396  -9.396
  318    HA   PRO  47           HA       PRO  47   2.095  -6.328  -6.328
  319   1HB   PRO  47           HB2      PRO  47   1.143  -8.262  -8.262
  320   2HB   PRO  47           HB1      PRO  47   0.468  -6.638  -6.638
  321   1HG   PRO  47           HG2      PRO  47  -0.749  -9.128  -9.128
  322   2HG   PRO  47           HG1      PRO  47  -1.405  -7.499  -7.499
  323   1HD   PRO  47           HD2      PRO  47  -0.113  -9.274  -9.274
  324   2HD   PRO  47           HD1      PRO  47  -1.234  -7.921  -7.921
  325    H    ASN  48           HN       ASN  48   3.855  -7.466  -7.466
  326    HA   ASN  48           HA       ASN  48   4.501 -10.147 -10.147
  327   1HB   ASN  48           HB2      ASN  48   6.053  -7.619  -7.619
  328   2HB   ASN  48           HB1      ASN  48   6.968  -9.078  -9.078
  329   1HD2  ASN  48          HD22      ASN  48   6.985  -9.682  -9.682
  330   2HD2  ASN  48          HD21      ASN  48   7.914  -9.289  -9.289
  331    H    THR  49           HN       THR  49   4.205 -11.234 -11.234
  332    HA   THR  49           HA       THR  49   5.160 -10.113 -10.113
  333    HB   THR  49           HB       THR  49   4.518 -12.358 -12.358
  334    HG1  THR  49           HG1      THR  49   4.541 -12.888 -12.888
  335   1HG2  THR  49          HG21      THR  49   2.870 -10.521 -10.521
  336   2HG2  THR  49          HG23      THR  49   2.462 -11.074 -11.074
  337   3HG2  THR  49          HG22      THR  49   2.115 -12.098 -12.098
  338    H    ILE  50           HN       ILE  50   7.311 -10.080 -10.080
  339    HA   ILE  50           HA       ILE  50   9.060 -12.126 -12.126
  340    HB   ILE  50           HB       ILE  50   9.802  -9.629  -9.629
  341   1HG1  ILE  50          HG12      ILE  50   9.855 -10.052 -10.052
  342   2HG1  ILE  50          HG11      ILE  50   8.524  -9.249  -9.249
  343   1HG2  ILE  50          HG23      ILE  50  11.511 -11.452 -11.452
  344   2HG2  ILE  50          HG22      ILE  50  11.431 -11.392 -11.392
  345   3HG2  ILE  50          HG21      ILE  50  12.018  -9.996  -9.996
  346   1HD1  ILE  50          HD12      ILE  50  10.236  -7.669  -7.669
  347   2HD1  ILE  50          HD11      ILE  50  11.421  -8.376  -8.376
  348   3HD1  ILE  50          HD13      ILE  50  10.019  -7.520  -7.520
  349    H    ASP  51           HN       ASP  51  10.320 -13.528 -13.528
  350    HA   ASP  51           HA       ASP  51   9.254 -14.015 -14.015
  351   1HB   ASP  51           HB2      ASP  51  10.898 -15.902 -15.902
  352   2HB   ASP  51           HB1      ASP  51   9.817 -15.923 -15.923
  353    H    VAL  52           HN       VAL  52  10.142 -13.290 -13.290
  354    HA   VAL  52           HA       VAL  52  12.905 -12.216 -12.216
  355    HB   VAL  52           HB       VAL  52  12.164 -10.485 -10.485
  356   1HG1  VAL  52          HG11      VAL  52  12.248 -10.028 -10.028
  357   2HG1  VAL  52          HG13      VAL  52  10.562 -10.529 -10.529
  358   3HG1  VAL  52          HG12      VAL  52  10.987  -9.097  -9.097
  359   1HG2  VAL  52          HG21      VAL  52   9.599 -11.979 -11.979
  360   2HG2  VAL  52          HG23      VAL  52  10.251 -11.192 -11.192
  361   3HG2  VAL  52          HG22      VAL  52   9.501 -10.227 -10.227
  362    HA   PRO  53           HA       PRO  53  12.775 -15.976 -15.976
  363   1HB   PRO  53           HB2      PRO  53  15.632 -15.296 -15.296
  364   2HB   PRO  53           HB1      PRO  53  14.847 -16.810 -16.810
  365   1HG   PRO  53           HG2      PRO  53  15.884 -14.742 -14.742
  366   2HG   PRO  53           HG1      PRO  53  15.159 -16.288 -16.288
  367   1HD   PRO  53           HD2      PRO  53  14.022 -13.812 -13.812
  368   2HD   PRO  53           HD1      PRO  53  13.121 -15.340 -15.340
  369    HA   PRO  54           HA       PRO  54  14.579 -13.098 -13.098
  370   1HB   PRO  54           HB2      PRO  54  15.805 -10.750 -10.750
  371   2HB   PRO  54           HB1      PRO  54  16.639 -12.292 -12.292
  372   1HG   PRO  54           HG2      PRO  54  16.236 -10.888 -10.888
  373   2HG   PRO  54           HG1      PRO  54  17.044 -12.444 -12.444
  374   1HD   PRO  54           HD2      PRO  54  14.280 -11.893 -11.893
  375   2HD   PRO  54           HD1      PRO  54  15.296 -13.324 -13.324
  376    H    GLU  55           HN       GLU  55  12.878 -12.145 -12.145
  377    HA   GLU  55           HA       GLU  55  11.064 -10.362 -10.362
  378   1HB   GLU  55           HB2      GLU  55  10.625 -12.135 -12.135
  379   2HB   GLU  55           HB1      GLU  55  10.958 -10.735 -10.735
  380   1HG   GLU  55           HG2      GLU  55   9.138  -9.521  -9.521
  381   2HG   GLU  55           HG1      GLU  55   9.046 -10.501 -10.501
  382    H    GLU  56           HN       GLU  56  10.869  -8.120  -8.120
  383    HA   GLU  56           HA       GLU  56  13.115  -6.874  -6.874
  384   1HB   GLU  56           HB2      GLU  56  12.502  -4.841  -4.841
  385   2HB   GLU  56           HB1      GLU  56  12.955  -6.213  -6.213
  386   1HG   GLU  56           HG2      GLU  56  10.647  -6.724  -6.724
  387   2HG   GLU  56           HG1      GLU  56  10.089  -5.551  -5.551
  388    H    GLU  57           HN       GLU  57  12.403  -4.576  -4.576
  389    HA   GLU  57           HA       GLU  57   9.928  -5.050  -5.050
  390   1HB   GLU  57           HB2      GLU  57  12.453  -3.490  -3.490
  391   2HB   GLU  57           HB1      GLU  57  10.982  -3.304  -3.304
  392   1HG   GLU  57           HG2      GLU  57  11.081  -5.489  -5.489
  393   2HG   GLU  57           HG1      GLU  57  12.077  -6.055  -6.055
  394    H    SER  58           HN       SER  58   8.325  -3.439  -3.439
  395    HA   SER  58           HA       SER  58   8.867  -0.990  -0.990
  396   1HB   SER  58           HB2      SER  58   6.351  -1.341  -1.341
  397   2HB   SER  58           HB1      SER  58   7.644  -2.156  -2.156
  398    HG   SER  58           HG       SER  58   7.261  -3.992  -3.992
  399    H    GLU  59           HN       GLU  59   6.739   0.507   0.507
  400    HA   GLU  59           HA       GLU  59   6.610   0.981   0.981
  401   1HB   GLU  59           HB2      GLU  59   6.607   2.785   2.785
  402   2HB   GLU  59           HB1      GLU  59   4.970   2.280   2.280
  403   1HG   GLU  59           HG2      GLU  59   4.200   2.760   2.760
  404   2HG   GLU  59           HG1      GLU  59   5.842   3.167   3.167
  405    H    PHE  60           HN       PHE  60   4.920   0.480   0.480
  406    HA   PHE  60           HA       PHE  60   2.630  -0.978  -0.978
  407   1HB   PHE  60           HB2      PHE  60   4.306  -2.257  -2.257
  408   2HB   PHE  60           HB1      PHE  60   3.603  -1.340  -1.340
  409    HD1  PHE  60           HD2      PHE  60   2.970  -3.888  -3.888
  410    HD2  PHE  60           HD1      PHE  60   1.297  -1.696  -1.696
  411    HE1  PHE  60           HE2      PHE  60   1.051  -5.459  -5.459
  412    HE2  PHE  60           HE1      PHE  60  -0.620  -3.268  -3.268
  413    HZ   PHE  60           HZ       PHE  60  -0.742  -5.149  -5.149

  Start of MODEL    2
    1   1H    GLU   1           HT2      GLU   1   9.702 -10.444 -10.444
    2   2H    GLU   1           HT1      GLU   1   9.920  -9.686  -9.686
    3   3H    GLU   1           HT3      GLU   1   9.589 -11.346 -11.346
    4    HA   GLU   1           HA       GLU   1   7.411 -11.027 -11.027
    5   1HB   GLU   1           HB2      GLU   1   8.331  -9.057  -9.057
    6   2HB   GLU   1           HB1      GLU   1   6.624  -9.247  -9.247
    7   1HG   GLU   1           HG2      GLU   1   6.586 -11.500 -11.500
    8   2HG   GLU   1           HG1      GLU   1   8.344 -11.632 -11.632
    9    H    ALA   2           HN       ALA   2   7.635 -10.236 -10.236
   10    HA   ALA   2           HA       ALA   2   6.472  -7.586  -7.586
   11   1HB   ALA   2           HB2      ALA   2   9.220  -8.211  -8.211
   12   2HB   ALA   2           HB1      ALA   2   8.250  -6.822  -6.822
   13   3HB   ALA   2           HB3      ALA   2   8.819  -6.962  -6.962
   14    H    GLN   3           HN       GLN   3   5.703 -10.365 -10.365
   15    HA   GLN   3           HA       GLN   3   5.928 -10.598 -10.598
   16   1HB   GLN   3           HB2      GLN   3   4.686 -12.250 -12.250
   17   2HB   GLN   3           HB1      GLN   3   4.305 -12.571 -12.571
   18   1HG   GLN   3           HG2      GLN   3   6.154 -13.961 -13.961
   19   2HG   GLN   3           HG1      GLN   3   6.907 -12.511 -12.511
   20   1HE2  GLN   3          HE22      GLN   3   8.863 -12.004 -12.004
   21   2HE2  GLN   3          HE21      GLN   3   8.630 -11.726 -11.726
   22    H    THR   4           HN       THR   4   4.722  -9.018  -9.018
   23    HA   THR   4           HA       THR   4   1.816  -9.117  -9.117
   24    HB   THR   4           HB       THR   4   1.796  -6.563  -6.563
   25    HG1  THR   4           HG1      THR   4   4.082  -6.129  -6.129
   26   1HG2  THR   4          HG22      THR   4   1.353  -7.866  -7.866
   27   2HG2  THR   4          HG21      THR   4   3.082  -7.886  -7.886
   28   3HG2  THR   4          HG23      THR   4   2.199  -6.359  -6.359
   29    H    GLU   5           HN       GLU   5   1.053  -7.091  -7.091
   30    HA   GLU   5           HA       GLU   5   1.893  -8.218  -8.218
   31   1HB   GLU   5           HB2      GLU   5  -0.294  -6.409  -6.409
   32   2HB   GLU   5           HB1      GLU   5   0.171  -6.340  -6.340
   33   1HG   GLU   5           HG2      GLU   5  -0.311  -9.008  -9.008
   34   2HG   GLU   5           HG1      GLU   5  -1.685  -8.038  -8.038
   35    H    THR   6           HN       THR   6   3.189  -7.164  -7.164
   36    HA   THR   6           HA       THR   6   4.026  -4.400  -4.400
   37    HB   THR   6           HB       THR   6   5.929  -6.277  -6.277
   38    HG1  THR   6           HG1      THR   6   6.221  -7.410  -7.410
   39   1HG2  THR   6          HG23      THR   6   6.423  -3.857  -3.857
   40   2HG2  THR   6          HG22      THR   6   6.275  -4.069  -4.069
   41   3HG2  THR   6          HG21      THR   6   7.566  -4.886  -4.886
   42    H    CYS   7           HN       CYS   7   4.372  -3.019  -3.019
   43    HA   CYS   7           HA       CYS   7   3.617  -4.189  -4.189
   44   1HB   CYS   7           HB2      CYS   7   2.863  -1.447  -1.447
   45   2HB   CYS   7           HB1      CYS   7   2.416  -2.116  -2.116
   46    H    THR   8           HN       THR   8   6.293  -3.710  -3.710
   47    HA   THR   8           HA       THR   8   7.277  -1.403  -1.403
   48    HB   THR   8           HB       THR   8   8.090  -1.608  -1.608
   49    HG1  THR   8           HG1      THR   8  10.054  -2.371  -2.371
   50   1HG2  THR   8          HG22      THR   8   7.802  -4.227  -4.227
   51   2HG2  THR   8          HG21      THR   8   9.492  -4.171  -4.171
   52   3HG2  THR   8          HG23      THR   8   9.020  -3.538  -3.538
   53    H    VAL   9           HN       VAL   9   7.948  -1.772  -1.772
   54    HA   VAL   9           HA       VAL   9   9.514  -4.182  -4.182
   55    HB   VAL   9           HB       VAL   9   7.049  -3.485  -3.485
   56   1HG1  VAL   9          HG12      VAL   9   9.129  -5.677  -5.677
   57   2HG1  VAL   9          HG11      VAL   9   7.567  -5.797  -5.797
   58   3HG1  VAL   9          HG13      VAL   9   8.694  -4.517  -4.517
   59   1HG2  VAL   9          HG23      VAL   9   7.558  -5.675  -5.675
   60   2HG2  VAL   9          HG22      VAL   9   6.344  -4.400  -4.400
   61   3HG2  VAL   9          HG21      VAL   9   6.193  -5.671  -5.671
   62    H    ALA  10           HN       ALA  10  10.717  -3.972  -3.972
   63    HA   ALA  10           HA       ALA  10  11.507  -1.252  -1.252
   64   1HB   ALA  10           HB2      ALA  10  12.229  -3.905  -3.905
   65   2HB   ALA  10           HB1      ALA  10  12.881  -2.380  -2.380
   66   3HB   ALA  10           HB3      ALA  10  13.219  -2.894  -2.894
   67    HA   PRO  11           HA       PRO  11   8.541   0.277   0.277
   68   1HB   PRO  11           HB2      PRO  11  10.810   0.920   0.920
   69   2HB   PRO  11           HB1      PRO  11   9.626   2.001   2.001
   70   1HG   PRO  11           HG2      PRO  11  12.303   1.443   1.443
   71   2HG   PRO  11           HG1      PRO  11  11.129   2.551   2.551
   72   1HD   PRO  11           HD2      PRO  11  12.053   0.227   0.227
   73   2HD   PRO  11           HD1      PRO  11  10.539   1.049   1.049
   74    H    ARG  12           HN       ARG  12  11.306  -1.653  -1.653
   75    HA   ARG  12           HA       ARG  12   9.827  -2.464  -2.464
   76   1HB   ARG  12           HB2      ARG  12  12.527  -3.084  -3.084
   77   2HB   ARG  12           HB1      ARG  12  11.875  -4.095  -4.095
   78   1HG   ARG  12           HG2      ARG  12  11.628  -2.162  -2.162
   79   2HG   ARG  12           HG1      ARG  12  12.123  -1.077  -1.077
   80   1HD   ARG  12           HD2      ARG  12  14.347  -1.721  -1.721
   81   2HD   ARG  12           HD1      ARG  12  13.959  -3.316  -3.316
   82    HE   ARG  12           HE       ARG  12  13.276  -1.159  -1.159
   83   1HH1  ARG  12          HH11      ARG  12  15.793  -3.287  -3.287
   84   2HH1  ARG  12          HH12      ARG  12  16.717  -3.191  -3.191
   85   1HH2  ARG  12          HH21      ARG  12  14.503  -1.046  -1.046
   86   2HH2  ARG  12          HH22      ARG  12  15.988  -1.927  -1.927
   87    H    GLU  13           HN       GLU  13  10.887  -4.012  -4.012
   88    HA   GLU  13           HA       GLU  13   9.641  -6.528  -6.528
   89   1HB   GLU  13           HB2      GLU  13  10.493  -5.454  -5.454
   90   2HB   GLU  13           HB1      GLU  13  10.181  -7.141  -7.141
   91   1HG   GLU  13           HG2      GLU  13  11.995  -6.812  -6.812
   92   2HG   GLU  13           HG1      GLU  13  12.453  -5.380  -5.380
   93    H    ARG  14           HN       ARG  14   8.139  -3.697  -3.697
   94    HA   ARG  14           HA       ARG  14   6.165  -4.385  -4.385
   95   1HB   ARG  14           HB2      ARG  14   6.505  -2.130  -2.130
   96   2HB   ARG  14           HB1      ARG  14   5.002  -2.328  -2.328
   97   1HG   ARG  14           HG2      ARG  14   6.699  -2.561  -2.561
   98   2HG   ARG  14           HG1      ARG  14   7.725  -1.596  -1.596
   99   1HD   ARG  14           HD2      ARG  14   6.166   0.186   0.186
  100   2HD   ARG  14           HD1      ARG  14   4.860  -0.821  -0.821
  101    HE   ARG  14           HE       ARG  14   6.709  -0.851  -0.851
  102   1HH1  ARG  14          HH11      ARG  14   5.136   1.652   1.652
  103   2HH1  ARG  14          HH12      ARG  14   5.179   2.810   2.810
  104   1HH2  ARG  14          HH21      ARG  14   6.753   0.677   0.677
  105   2HH2  ARG  14          HH22      ARG  14   6.091   2.259   2.259
  106    H    GLN  15           HN       GLN  15   4.413  -5.680  -5.680
  107    HA   GLN  15           HA       GLN  15   3.807  -6.402  -6.402
  108   1HB   GLN  15           HB2      GLN  15   2.560  -7.478  -7.478
  109   2HB   GLN  15           HB1      GLN  15   2.486  -8.195  -8.195
  110   1HG   GLN  15           HG2      GLN  15   5.020  -7.805  -7.805
  111   2HG   GLN  15           HG1      GLN  15   4.164  -9.333  -9.333
  112   1HE2  GLN  15          HE22      GLN  15   4.977  -9.327  -9.327
  113   2HE2  GLN  15          HE21      GLN  15   3.556  -9.389  -9.389
  114    H    ASN  16           HN       ASN  16   2.121  -5.476  -5.476
  115    HA   ASN  16           HA       ASN  16   0.538  -3.451  -3.451
  116   1HB   ASN  16           HB2      ASN  16   1.261  -3.928  -3.928
  117   2HB   ASN  16           HB1      ASN  16  -0.377  -4.578  -4.578
  118   1HD2  ASN  16          HD22      ASN  16  -0.570  -0.909  -0.909
  119   2HD2  ASN  16          HD21      ASN  16   0.186  -2.237  -2.237
  120    H    CYS  17           HN       CYS  17  -1.168  -3.878  -3.878
  121    HA   CYS  17           HA       CYS  17  -2.511  -6.464  -6.464
  122   1HB   CYS  17           HB2      CYS  17  -1.942  -4.882  -4.882
  123   2HB   CYS  17           HB1      CYS  17  -3.509  -4.190  -4.190
  124    H    GLY  18           HN       GLY  18  -2.792  -3.529  -3.529
  125   1HA   GLY  18           HA2      GLY  18  -5.075  -4.214  -4.214
  126   2HA   GLY  18           HA1      GLY  18  -5.604  -3.165  -3.165
  127    H    PHE  19           HN       PHE  19  -5.904  -2.151  -2.151
  128    HA   PHE  19           HA       PHE  19  -3.644  -0.749  -0.749
  129   1HB   PHE  19           HB2      PHE  19  -5.425   0.751   0.751
  130   2HB   PHE  19           HB1      PHE  19  -5.464  -0.960  -0.960
  131    HD1  PHE  19           HD1      PHE  19  -7.122  -2.474  -2.474
  132    HD2  PHE  19           HD2      PHE  19  -7.274   1.809   1.809
  133    HE1  PHE  19           HE1      PHE  19  -9.476  -2.614  -2.614
  134    HE2  PHE  19           HE2      PHE  19  -9.630   1.666   1.666
  135    HZ   PHE  19           HZ       PHE  19 -10.728  -0.544  -0.544
  136    HA   PRO  20           HA       PRO  20  -3.350   2.721   2.721
  137   1HB   PRO  20           HB2      PRO  20  -2.729   4.754   4.754
  138   2HB   PRO  20           HB1      PRO  20  -1.586   3.591   3.591
  139   1HG   PRO  20           HG2      PRO  20  -2.481   3.810   3.810
  140   2HG   PRO  20           HG1      PRO  20  -1.318   2.666   2.666
  141   1HD   PRO  20           HD2      PRO  20  -4.127   2.237   2.237
  142   2HD   PRO  20           HD1      PRO  20  -2.860   1.043   1.043
  143    H    GLY  21           HN       GLY  21  -5.481   3.229   3.229
  144   1HA   GLY  21           HA2      GLY  21  -6.686   5.646   5.646
  145   2HA   GLY  21           HA1      GLY  21  -7.443   4.441   4.441
  146    H    VAL  22           HN       VAL  22  -6.686   2.630   2.630
  147    HA   VAL  22           HA       VAL  22  -9.338   2.417   2.417
  148    HB   VAL  22           HB       VAL  22  -8.319   1.163   1.163
  149   1HG1  VAL  22          HG11      VAL  22  -7.149   0.542   0.542
  150   2HG1  VAL  22          HG13      VAL  22  -7.288  -0.598  -0.598
  151   3HG1  VAL  22          HG12      VAL  22  -8.740   0.044   0.044
  152   1HG2  VAL  22          HG23      VAL  22  -5.891   2.524   2.524
  153   2HG2  VAL  22          HG22      VAL  22  -6.292   2.077   2.077
  154   3HG2  VAL  22          HG21      VAL  22  -5.692   0.855   0.855
  155    H    THR  23           HN       THR  23  -9.546   2.622   2.622
  156    HA   THR  23           HA       THR  23  -8.590   5.312   5.312
  157    HB   THR  23           HB       THR  23 -10.941   5.651   5.651
  158    HG1  THR  23           HG1      THR  23 -12.514   4.364   4.364
  159   1HG2  THR  23          HG23      THR  23 -10.234   5.690   5.690
  160   2HG2  THR  23          HG22      THR  23 -11.852   6.166   6.166
  161   3HG2  THR  23          HG21      THR  23 -10.444   7.043   7.043
  162    HA   PRO  24           HA       PRO  24  -7.449   3.903   3.903
  163   1HB   PRO  24           HB2      PRO  24  -9.559   5.447   5.447
  164   2HB   PRO  24           HB1      PRO  24  -7.805   5.659   5.659
  165   1HG   PRO  24           HG2      PRO  24  -9.739   7.116   7.116
  166   2HG   PRO  24           HG1      PRO  24  -8.011   7.434   7.434
  167   1HD   PRO  24           HD2      PRO  24  -9.142   6.596   6.596
  168   2HD   PRO  24           HD1      PRO  24  -7.443   6.331   6.331
  169    H    SER  25           HN       SER  25 -10.999   4.135   4.135
  170    HA   SER  25           HA       SER  25 -11.674   2.170   2.170
  171   1HB   SER  25           HB2      SER  25 -13.885   2.187   2.187
  172   2HB   SER  25           HB1      SER  25 -13.297   3.823   3.823
  173    HG   SER  25           HG       SER  25 -13.739   3.970   3.970
  174    H    GLN  26           HN       GLN  26 -11.174   2.021   2.021
  175    HA   GLN  26           HA       GLN  26 -11.889  -0.718  -0.718
  176   1HB   GLN  26           HB2      GLN  26 -10.104   1.077   1.077
  177   2HB   GLN  26           HB1      GLN  26 -10.555  -0.562  -0.562
  178   1HG   GLN  26           HG2      GLN  26 -12.719   1.355   1.355
  179   2HG   GLN  26           HG1      GLN  26 -11.997   1.500   1.500
  180   1HE2  GLN  26          HE22      GLN  26 -13.902  -1.165  -1.165
  181   2HE2  GLN  26          HE21      GLN  26 -13.069   0.283   0.283
  182    H    CYS  27           HN       CYS  27  -8.634   0.837   0.837
  183    HA   CYS  27           HA       CYS  27  -7.188  -1.594  -1.594
  184   1HB   CYS  27           HB2      CYS  27  -6.269   0.740   0.740
  185   2HB   CYS  27           HB1      CYS  27  -6.361   0.996   0.996
  186    H    ALA  28           HN       ALA  28  -9.111   0.007   0.007
  187    HA   ALA  28           HA       ALA  28  -7.829  -1.561  -1.561
  188   1HB   ALA  28           HB2      ALA  28  -9.840   0.699   0.699
  189   2HB   ALA  28           HB1      ALA  28  -9.341  -0.178  -0.178
  190   3HB   ALA  28           HB3      ALA  28  -8.159   0.759   0.759
  191    H    ASN  29           HN       ASN  29 -10.318  -1.915  -1.915
  192    HA   ASN  29           HA       ASN  29 -12.345  -3.039  -3.039
  193   1HB   ASN  29           HB2      ASN  29 -12.759  -2.099  -2.099
  194   2HB   ASN  29           HB1      ASN  29 -11.917  -3.498  -3.498
  195   1HD2  ASN  29          HD22      ASN  29 -15.479  -4.220  -4.220
  196   2HD2  ASN  29          HD21      ASN  29 -14.474  -2.972  -2.972
  197    H    LYS  30           HN       LYS  30  -9.749  -4.431  -4.431
  198    HA   LYS  30           HA       LYS  30 -10.442  -7.129  -7.129
  199   1HB   LYS  30           HB2      LYS  30  -9.495  -6.353  -6.353
  200   2HB   LYS  30           HB1      LYS  30  -7.937  -6.438  -6.438
  201   1HG   LYS  30           HG2      LYS  30  -7.972  -8.713  -8.713
  202   2HG   LYS  30           HG1      LYS  30  -9.701  -8.769  -8.769
  203   1HD   LYS  30           HD2      LYS  30 -10.173  -8.272  -8.272
  204   2HD   LYS  30           HD1      LYS  30  -8.440  -8.278  -8.278
  205   1HE   LYS  30           HE2      LYS  30  -9.544 -10.659 -10.659
  206   2HE   LYS  30           HE1      LYS  30  -9.965 -10.474 -10.474
  207   1HZ   LYS  30           HZ1      LYS  30  -7.240 -10.419 -10.419
  208   2HZ   LYS  30           HZ3      LYS  30  -7.942 -11.718 -11.718
  209   3HZ   LYS  30           HZ2      LYS  30  -7.647 -10.254 -10.254
  210    H    GLY  31           HN       GLY  31  -7.811  -4.752  -4.752
  211   1HA   GLY  31           HA2      GLY  31  -6.989  -4.761  -4.761
  212   2HA   GLY  31           HA1      GLY  31  -6.769  -6.497  -6.497
  213    H    CYS  32           HN       CYS  32  -6.153  -4.466  -4.466
  214    HA   CYS  32           HA       CYS  32  -3.378  -5.286  -5.286
  215   1HB   CYS  32           HB2      CYS  32  -4.828  -3.306  -3.306
  216   2HB   CYS  32           HB1      CYS  32  -3.272  -4.063  -4.063
  217    H    CYS  33           HN       CYS  33  -1.572  -4.002  -4.002
  218    HA   CYS  33           HA       CYS  33  -1.945  -1.810  -1.810
  219   1HB   CYS  33           HB2      CYS  33   0.525  -2.649  -2.649
  220   2HB   CYS  33           HB1      CYS  33   0.502  -1.550  -1.550
  221    H    PHE  34           HN       PHE  34  -2.428   0.287   0.287
  222    HA   PHE  34           HA       PHE  34  -2.098   1.138   1.138
  223   1HB   PHE  34           HB2      PHE  34  -4.295   1.477   1.477
  224   2HB   PHE  34           HB1      PHE  34  -3.497   2.525   2.525
  225    HD1  PHE  34           HD2      PHE  34  -2.545   4.696   4.696
  226    HD2  PHE  34           HD1      PHE  34  -4.699   2.210   2.210
  227    HE1  PHE  34           HE2      PHE  34  -2.756   6.611   6.611
  228    HE2  PHE  34           HE1      PHE  34  -4.910   4.126   4.126
  229    HZ   PHE  34           HZ       PHE  34  -3.937   6.328   6.328
  230    H    ASP  35           HN       ASP  35  -0.865   3.026   3.026
  231    HA   ASP  35           HA       ASP  35   0.479   4.537   4.537
  232   1HB   ASP  35           HB2      ASP  35   1.831   2.407   2.407
  233   2HB   ASP  35           HB1      ASP  35   2.182   2.843   2.843
  234    H    ASP  36           HN       ASP  36   0.979   6.568   6.568
  235    HA   ASP  36           HA       ASP  36   1.116   6.864   6.864
  236   1HB   ASP  36           HB2      ASP  36  -0.187   8.987   8.987
  237   2HB   ASP  36           HB1      ASP  36  -1.127   7.549   7.549
  238    H    THR  37           HN       THR  37   3.311   6.709   6.709
  239    HA   THR  37           HA       THR  37   4.182   9.353   9.353
  240    HB   THR  37           HB       THR  37   6.328   8.268   8.268
  241    HG1  THR  37           HG1      THR  37   6.656   6.150   6.150
  242   1HG2  THR  37          HG22      THR  37   3.836   6.760   6.760
  243   2HG2  THR  37          HG21      THR  37   5.423   6.382   6.382
  244   3HG2  THR  37          HG23      THR  37   4.714   7.976   7.976
  245    H    VAL  38           HN       VAL  38   5.391   7.045   7.045
  246    HA   VAL  38           HA       VAL  38   6.361   9.408   9.408
  247    HB   VAL  38           HB       VAL  38   7.221   6.512   6.512
  248   1HG1  VAL  38          HG11      VAL  38   7.454   8.171   8.171
  249   2HG1  VAL  38          HG13      VAL  38   8.668   8.974   8.974
  250   3HG1  VAL  38          HG12      VAL  38   8.901   7.296   7.296
  251   1HG2  VAL  38          HG23      VAL  38   8.531   8.857   8.857
  252   2HG2  VAL  38          HG22      VAL  38   7.856   7.423   7.423
  253   3HG2  VAL  38          HG21      VAL  38   9.282   7.281   7.281
  254    H    ARG  39           HN       ARG  39   5.615   9.735   9.735
  255    HA   ARG  39           HA       ARG  39   3.314   8.146   8.146
  256   1HB   ARG  39           HB2      ARG  39   3.239   9.779   9.779
  257   2HB   ARG  39           HB1      ARG  39   3.205  10.554  10.554
  258   1HG   ARG  39           HG2      ARG  39   5.521  11.151  11.151
  259   2HG   ARG  39           HG1      ARG  39   5.766  10.124  10.124
  260   1HD   ARG  39           HD2      ARG  39   5.093  11.758  11.758
  261   2HD   ARG  39           HD1      ARG  39   3.628  12.046  12.046
  262    HE   ARG  39           HE       ARG  39   4.773  13.721  13.721
  263   1HH1  ARG  39          HH21      ARG  39   6.851  12.019  12.019
  264   2HH1  ARG  39          HH22      ARG  39   8.138  13.172  13.172
  265   1HH2  ARG  39          HH11      ARG  39   6.472  15.219  15.219
  266   2HH2  ARG  39          HH12      ARG  39   7.923  14.975  14.975
  267    H    GLY  40           HN       GLY  40   3.320   7.699   7.699
  268   1HA   GLY  40           HA2      GLY  40   4.350   6.661   6.661
  269   2HA   GLY  40           HA1      GLY  40   5.908   6.861   6.861
  270    H    VAL  41           HN       VAL  41   5.451   5.589   5.589
  271    HA   VAL  41           HA       VAL  41   5.465   2.801   2.801
  272    HB   VAL  41           HB       VAL  41   6.038   2.386   2.386
  273   1HG1  VAL  41          HG13      VAL  41   7.584   4.328   4.328
  274   2HG1  VAL  41          HG12      VAL  41   8.196   3.857   3.857
  275   3HG1  VAL  41          HG11      VAL  41   7.933   2.633   2.633
  276   1HG2  VAL  41          HG23      VAL  41   4.737   4.593   4.593
  277   2HG2  VAL  41          HG22      VAL  41   6.152   4.114   4.114
  278   3HG2  VAL  41          HG21      VAL  41   6.295   5.362   5.362
  279    HA   PRO  42           HA       PRO  42   1.327   1.651   1.651
  280   1HB   PRO  42           HB2      PRO  42   1.795  -0.653  -0.653
  281   2HB   PRO  42           HB1      PRO  42   1.659  -0.581  -0.581
  282   1HG   PRO  42           HG2      PRO  42   4.066  -0.787  -0.787
  283   2HG   PRO  42           HG1      PRO  42   3.786  -1.373  -1.373
  284   1HD   PRO  42           HD2      PRO  42   5.297   0.830   0.830
  285   2HD   PRO  42           HD1      PRO  42   4.426   0.610   0.610
  286    H    TRP  43           HN       TRP  43  -0.030   2.453   2.453
  287    HA   TRP  43           HA       TRP  43   1.099   3.113   3.113
  288   1HB   TRP  43           HB2      TRP  43  -1.553   3.688   3.688
  289   2HB   TRP  43           HB1      TRP  43  -1.213   4.140   4.140
  290    HD1  TRP  43           HD1      TRP  43   1.846   4.449   4.449
  291    HE1  TRP  43           HE1      TRP  43   2.285   6.920   6.920
  292    HE3  TRP  43           HE3      TRP  43  -2.601   6.505   6.505
  293    HZ2  TRP  43           HZ2      TRP  43   0.934   9.433   9.433
  294    HZ3  TRP  43           HZ3      TRP  43  -2.996   8.939   8.939
  295    HH2  TRP  43           HH2      TRP  43  -1.236  10.404  10.404
  296    H    CYS  44           HN       CYS  44  -1.586   1.145   1.145
  297    HA   CYS  44           HA       CYS  44  -2.074  -0.032  -0.032
  298   1HB   CYS  44           HB2      CYS  44  -3.926   0.590   0.590
  299   2HB   CYS  44           HB1      CYS  44  -3.366  -0.723  -0.723
  300    H    PHE  45           HN       PHE  45  -0.609  -1.622  -1.622
  301    HA   PHE  45           HA       PHE  45  -0.003  -3.690  -3.690
  302   1HB   PHE  45           HB2      PHE  45   2.329  -3.765  -3.765
  303   2HB   PHE  45           HB1      PHE  45   1.932  -2.151  -2.151
  304    HD1  PHE  45           HD1      PHE  45   0.944  -0.525  -0.525
  305    HD2  PHE  45           HD2      PHE  45   3.438  -3.948  -3.948
  306    HE1  PHE  45           HE1      PHE  45   1.609   0.415   0.415
  307    HE2  PHE  45           HE2      PHE  45   4.104  -3.007  -3.007
  308    HZ   PHE  45           HZ       PHE  45   3.190  -0.824  -0.824
  309    H    TYR  46           HN       TYR  46   1.144  -5.644  -5.644
  310    HA   TYR  46           HA       TYR  46  -0.712  -6.454  -6.454
  311   1HB   TYR  46           HB2      TYR  46   1.476  -7.766  -7.766
  312   2HB   TYR  46           HB1      TYR  46   0.916  -8.528  -8.528
  313    HD1  TYR  46           HD1      TYR  46  -1.630  -8.909  -8.909
  314    HD2  TYR  46           HD2      TYR  46   0.264  -8.022  -8.022
  315    HE1  TYR  46           HE1      TYR  46  -3.593  -9.819  -9.819
  316    HE2  TYR  46           HE2      TYR  46  -1.701  -8.933  -8.933
  317    HH   TYR  46           HH       TYR  46  -3.731 -10.886 -10.886
  318    HA   PRO  47           HA       PRO  47   2.130  -5.852  -5.852
  319   1HB   PRO  47           HB2      PRO  47   1.286  -7.903  -7.903
  320   2HB   PRO  47           HB1      PRO  47   0.413  -6.381  -6.381
  321   1HG   PRO  47           HG2      PRO  47  -0.374  -9.016  -9.016
  322   2HG   PRO  47           HG1      PRO  47  -1.261  -7.496  -7.496
  323   1HD   PRO  47           HD2      PRO  47   0.362  -8.972  -8.972
  324   2HD   PRO  47           HD1      PRO  47  -0.899  -7.748  -7.748
  325    H    ASN  48           HN       ASN  48   3.310  -7.633  -7.633
  326    HA   ASN  48           HA       ASN  48   4.561  -9.820  -9.820
  327   1HB   ASN  48           HB2      ASN  48   5.895  -7.192  -7.192
  328   2HB   ASN  48           HB1      ASN  48   6.863  -8.616  -8.616
  329   1HD2  ASN  48          HD22      ASN  48   7.161  -9.640  -9.640
  330   2HD2  ASN  48          HD21      ASN  48   7.451 -10.039 -10.039
  331    H    THR  49           HN       THR  49   4.038 -11.243 -11.243
  332    HA   THR  49           HA       THR  49   4.474 -10.504 -10.504
  333    HB   THR  49           HB       THR  49   3.814 -12.904 -12.904
  334    HG1  THR  49           HG1      THR  49   3.702 -14.209 -14.209
  335   1HG2  THR  49          HG22      THR  49   2.211 -10.902 -10.902
  336   2HG2  THR  49          HG21      THR  49   1.883 -11.574 -11.574
  337   3HG2  THR  49          HG23      THR  49   1.526 -12.521 -12.521
  338    H    ILE  50           HN       ILE  50   6.701 -10.182 -10.182
  339    HA   ILE  50           HA       ILE  50   8.357 -12.617 -12.617
  340    HB   ILE  50           HB       ILE  50   9.284  -9.816  -9.816
  341   1HG1  ILE  50          HG12      ILE  50   8.773 -12.169 -12.169
  342   2HG1  ILE  50          HG11      ILE  50   7.647 -10.828 -10.828
  343   1HG2  ILE  50          HG22      ILE  50  10.585 -12.485 -12.485
  344   2HG2  ILE  50          HG21      ILE  50  11.107 -11.473 -11.473
  345   3HG2  ILE  50          HG23      ILE  50  11.242 -10.878 -10.878
  346   1HD1  ILE  50          HD12      ILE  50   9.780  -9.359  -9.359
  347   2HD1  ILE  50          HD11      ILE  50  10.353 -10.842 -10.842
  348   3HD1  ILE  50          HD13      ILE  50   8.858 -10.086 -10.086
  349    H    ASP  51           HN       ASP  51  10.366 -12.451 -12.451
  350    HA   ASP  51           HA       ASP  51   9.662 -10.970 -10.970
  351   1HB   ASP  51           HB2      ASP  51  10.150 -13.635 -13.635
  352   2HB   ASP  51           HB1      ASP  51  11.772 -13.052 -13.052
  353    H    VAL  52           HN       VAL  52  12.151 -10.993 -10.993
  354    HA   VAL  52           HA       VAL  52  13.903  -9.529  -9.529
  355    HB   VAL  52           HB       VAL  52  14.400  -7.937  -7.937
  356   1HG1  VAL  52          HG13      VAL  52  11.610  -8.230  -8.230
  357   2HG1  VAL  52          HG12      VAL  52  12.026  -6.881  -6.881
  358   3HG1  VAL  52          HG11      VAL  52  12.868  -7.090  -7.090
  359   1HG2  VAL  52          HG21      VAL  52  12.146  -9.484  -9.484
  360   2HG2  VAL  52          HG23      VAL  52  13.792  -9.279  -9.279
  361   3HG2  VAL  52          HG22      VAL  52  12.691  -7.902  -7.902
  362    HA   PRO  53           HA       PRO  53  17.118 -11.918 -11.918
  363   1HB   PRO  53           HB2      PRO  53  19.268 -10.404 -10.404
  364   2HB   PRO  53           HB1      PRO  53  18.386 -11.551 -11.551
  365   1HG   PRO  53           HG2      PRO  53  18.503  -8.701  -8.701
  366   2HG   PRO  53           HG1      PRO  53  17.645  -9.854  -9.854
  367   1HD   PRO  53           HD2      PRO  53  16.595  -8.173  -8.173
  368   2HD   PRO  53           HD1      PRO  53  15.734  -8.927  -8.927
  369    HA   PRO  54           HA       PRO  54  18.347 -10.678 -10.678
  370   1HB   PRO  54           HB2      PRO  54  21.188 -10.827 -10.827
  371   2HB   PRO  54           HB1      PRO  54  20.285 -11.786 -11.786
  372   1HG   PRO  54           HG2      PRO  54  21.027 -12.493 -12.493
  373   2HG   PRO  54           HG1      PRO  54  20.199 -13.478 -13.478
  374   1HD   PRO  54           HD2      PRO  54  19.027 -12.573 -12.573
  375   2HD   PRO  54           HD1      PRO  54  18.128 -13.027 -13.027
  376    H    GLU  55           HN       GLU  55  20.412  -9.270  -9.270
  377    HA   GLU  55           HA       GLU  55  20.058  -6.634  -6.634
  378   1HB   GLU  55           HB2      GLU  55  22.345  -7.756  -7.756
  379   2HB   GLU  55           HB1      GLU  55  22.665  -7.466  -7.466
  380   1HG   GLU  55           HG2      GLU  55  22.627  -5.145  -5.145
  381   2HG   GLU  55           HG1      GLU  55  21.657  -5.219  -5.219
  382    H    GLU  56           HN       GLU  56  20.591  -4.815  -4.815
  383    HA   GLU  56           HA       GLU  56  19.773  -5.652  -5.652
  384   1HB   GLU  56           HB2      GLU  56  18.409  -3.975  -3.975
  385   2HB   GLU  56           HB1      GLU  56  19.560  -2.815  -2.815
  386   1HG   GLU  56           HG2      GLU  56  17.684  -2.809  -2.809
  387   2HG   GLU  56           HG1      GLU  56  18.951  -3.726  -3.726
  388    H    GLU  57           HN       GLU  57  21.445  -5.591  -5.591
  389    HA   GLU  57           HA       GLU  57  23.305  -3.310  -3.310
  390   1HB   GLU  57           HB2      GLU  57  24.146  -5.531  -5.531
  391   2HB   GLU  57           HB1      GLU  57  24.451  -6.034  -6.034
  392   1HG   GLU  57           HG2      GLU  57  25.975  -4.274  -4.274
  393   2HG   GLU  57           HG1      GLU  57  25.397  -3.355  -3.355
  394    H    SER  58           HN       SER  58  22.882  -2.412  -2.412
  395    HA   SER  58           HA       SER  58  23.235  -4.165  -4.165
  396   1HB   SER  58           HB2      SER  58  21.003  -2.140  -2.140
  397   2HB   SER  58           HB1      SER  58  21.237  -3.466  -3.466
  398    HG   SER  58           HG       SER  58  19.675  -3.639  -3.639
  399    H    GLU  59           HN       GLU  59  24.759  -3.224  -3.224
  400    HA   GLU  59           HA       GLU  59  24.881  -0.260  -0.260
  401   1HB   GLU  59           HB2      GLU  59  26.750  -1.318  -1.318
  402   2HB   GLU  59           HB1      GLU  59  27.264  -2.122  -2.122
  403   1HG   GLU  59           HG2      GLU  59  28.574  -0.129  -0.129
  404   2HG   GLU  59           HG1      GLU  59  27.337   0.194   0.194
  405    H    PHE  60           HN       PHE  60  24.170   0.295   0.295
  406    HA   PHE  60           HA       PHE  60  25.299  -1.240  -1.240
  407   1HB   PHE  60           HB2      PHE  60  22.819  -1.634  -1.634
  408   2HB   PHE  60           HB1      PHE  60  22.567   0.059   0.059
  409    HD1  PHE  60           HD1      PHE  60  23.651  -3.251  -3.251
  410    HD2  PHE  60           HD2      PHE  60  22.804   0.830   0.830
  411    HE1  PHE  60           HE1      PHE  60  23.691  -3.856  -3.856
  412    HE2  PHE  60           HE2      PHE  60  22.842   0.225   0.225
  413    HZ   PHE  60           HZ       PHE  60  23.286  -2.119  -2.119

  Start of MODEL    3
    1   1H    GLU   1           HT2      GLU   1  10.191 -10.988 -10.988
    2   2H    GLU   1           HT1      GLU   1  10.753 -12.426 -12.426
    3   3H    GLU   1           HT3      GLU   1  10.957 -12.167 -12.167
    4    HA   GLU   1           HA       GLU   1   9.138 -13.366 -13.366
    5   1HB   GLU   1           HB2      GLU   1   8.936 -12.827 -12.827
    6   2HB   GLU   1           HB1      GLU   1   7.467 -13.325 -13.325
    7   1HG   GLU   1           HG2      GLU   1  10.033 -14.835 -14.835
    8   2HG   GLU   1           HG1      GLU   1   9.037 -15.168 -15.168
    9    H    ALA   2           HN       ALA   2   9.456 -10.368 -10.368
   10    HA   ALA   2           HA       ALA   2   6.570  -9.673  -9.673
   11   1HB   ALA   2           HB1      ALA   2   9.015  -7.901  -7.901
   12   2HB   ALA   2           HB3      ALA   2   7.378  -7.289  -7.289
   13   3HB   ALA   2           HB2      ALA   2   7.779  -8.176  -8.176
   14    H    GLN   3           HN       GLN   3   6.240 -10.621 -10.621
   15    HA   GLN   3           HA       GLN   3   7.893  -9.725  -9.725
   16   1HB   GLN   3           HB2      GLN   3   5.624 -11.614 -11.614
   17   2HB   GLN   3           HB1      GLN   3   5.800 -10.907 -10.907
   18   1HG   GLN   3           HG2      GLN   3   7.089 -12.941 -12.941
   19   2HG   GLN   3           HG1      GLN   3   8.233 -11.600 -11.600
   20   1HE2  GLN   3          HE22      GLN   3   7.689 -13.811 -13.811
   21   2HE2  GLN   3          HE21      GLN   3   6.431 -13.728 -13.728
   22    H    THR   4           HN       THR   4   6.802  -8.665  -8.665
   23    HA   THR   4           HA       THR   4   4.430  -7.070  -7.070
   24    HB   THR   4           HB       THR   4   5.844  -5.038  -5.038
   25    HG1  THR   4           HG1      THR   4   7.834  -5.667  -5.667
   26   1HG2  THR   4          HG22      THR   4   4.749  -5.395  -5.395
   27   2HG2  THR   4          HG21      THR   4   6.348  -5.901  -5.901
   28   3HG2  THR   4          HG23      THR   4   6.104  -4.269  -4.269
   29    H    GLU   5           HN       GLU   5   3.519  -6.033  -6.033
   30    HA   GLU   5           HA       GLU   5   3.886  -7.682  -7.682
   31   1HB   GLU   5           HB2      GLU   5   2.151  -5.350  -5.350
   32   2HB   GLU   5           HB1      GLU   5   2.311  -5.795  -5.795
   33   1HG   GLU   5           HG2      GLU   5   1.505  -8.020  -8.020
   34   2HG   GLU   5           HG1      GLU   5   1.582  -7.779  -7.779
   35    H    THR   6           HN       THR   6   4.163  -6.501  -6.501
   36    HA   THR   6           HA       THR   6   5.938  -4.173  -4.173
   37    HB   THR   6           HB       THR   6   6.835  -6.725  -6.725
   38    HG1  THR   6           HG1      THR   6   8.444  -6.304  -6.304
   39   1HG2  THR   6          HG21      THR   6   8.045  -4.006  -4.006
   40   2HG2  THR   6          HG23      THR   6   9.052  -5.415  -5.415
   41   3HG2  THR   6          HG22      THR   6   7.869  -4.872  -4.872
   42    H    CYS   7           HN       CYS   7   4.367  -3.024  -3.024
   43    HA   CYS   7           HA       CYS   7   3.535  -4.189  -4.189
   44   1HB   CYS   7           HB2      CYS   7   2.877  -1.560  -1.560
   45   2HB   CYS   7           HB1      CYS   7   2.237  -2.051  -2.051
   46    H    THR   8           HN       THR   8   6.027  -2.153  -2.153
   47    HA   THR   8           HA       THR   8   6.442  -0.523  -0.523
   48    HB   THR   8           HB       THR   8   7.327   0.155   0.155
   49    HG1  THR   8           HG1      THR   8   9.751  -0.172  -0.172
   50   1HG2  THR   8          HG23      THR   8   8.025  -2.582  -2.582
   51   2HG2  THR   8          HG22      THR   8   9.541  -1.683  -1.683
   52   3HG2  THR   8          HG21      THR   8   8.292  -1.309  -1.309
   53    H    VAL   9           HN       VAL   9   6.965  -1.406  -1.406
   54    HA   VAL   9           HA       VAL   9   9.023  -3.545  -3.545
   55    HB   VAL   9           HB       VAL   9   6.651  -3.305  -3.305
   56   1HG1  VAL   9          HG13      VAL   9   8.908  -5.301  -5.301
   57   2HG1  VAL   9          HG12      VAL   9   7.427  -5.662  -5.662
   58   3HG1  VAL   9          HG11      VAL   9   8.481  -4.354  -4.354
   59   1HG2  VAL   9          HG23      VAL   9   7.163  -4.975  -4.975
   60   2HG2  VAL   9          HG22      VAL   9   5.726  -4.043  -4.043
   61   3HG2  VAL   9          HG21      VAL   9   6.078  -5.546  -5.546
   62    H    ALA  10           HN       ALA  10  10.149  -3.620  -3.620
   63    HA   ALA  10           HA       ALA  10  11.047  -0.977  -0.977
   64   1HB   ALA  10           HB3      ALA  10  11.700  -3.743  -3.743
   65   2HB   ALA  10           HB2      ALA  10  11.956  -2.553  -2.553
   66   3HB   ALA  10           HB1      ALA  10  12.772  -2.369  -2.369
   67    HA   PRO  11           HA       PRO  11   7.718   0.443   0.443
   68   1HB   PRO  11           HB2      PRO  11   9.855   1.532   1.532
   69   2HB   PRO  11           HB1      PRO  11   8.555   2.375   2.375
   70   1HG   PRO  11           HG2      PRO  11  11.289   2.128   2.128
   71   2HG   PRO  11           HG1      PRO  11   9.983   2.957   2.957
   72   1HD   PRO  11           HD2      PRO  11  11.290   0.658   0.658
   73   2HD   PRO  11           HD1      PRO  11   9.723   1.240   1.240
   74    H    ARG  12           HN       ARG  12  10.716  -0.744  -0.744
   75    HA   ARG  12           HA       ARG  12   9.272  -1.624  -1.624
   76   1HB   ARG  12           HB2      ARG  12  11.444  -2.722  -2.722
   77   2HB   ARG  12           HB1      ARG  12  11.620  -1.012  -1.012
   78   1HG   ARG  12           HG2      ARG  12  12.128  -1.763  -1.763
   79   2HG   ARG  12           HG1      ARG  12  12.284  -3.393  -3.393
   80   1HD   ARG  12           HD2      ARG  12  13.893  -2.266  -2.266
   81   2HD   ARG  12           HD1      ARG  12  13.986  -0.973  -0.973
   82    HE   ARG  12           HE       ARG  12  14.427  -3.629  -3.629
   83   1HH1  ARG  12          HH11      ARG  12  15.840  -0.817  -0.817
   84   2HH1  ARG  12          HH12      ARG  12  17.429  -1.120  -1.120
   85   1HH2  ARG  12          HH21      ARG  12  16.516  -4.005  -4.005
   86   2HH2  ARG  12          HH22      ARG  12  17.807  -2.917  -2.917
   87    H    GLU  13           HN       GLU  13  10.519  -3.204  -3.204
   88    HA   GLU  13           HA       GLU  13   9.498  -5.793  -5.793
   89   1HB   GLU  13           HB2      GLU  13  11.246  -4.851  -4.851
   90   2HB   GLU  13           HB1      GLU  13  10.379  -6.375  -6.375
   91   1HG   GLU  13           HG2      GLU  13  11.360  -7.261  -7.261
   92   2HG   GLU  13           HG1      GLU  13  12.122  -5.709  -5.709
   93    H    ARG  14           HN       ARG  14   7.463  -3.849  -3.849
   94    HA   ARG  14           HA       ARG  14   6.214  -4.616  -4.616
   95   1HB   ARG  14           HB2      ARG  14   6.094  -2.226  -2.226
   96   2HB   ARG  14           HB1      ARG  14   4.565  -2.717  -2.717
   97   1HG   ARG  14           HG2      ARG  14   5.540  -2.633  -2.633
   98   2HG   ARG  14           HG1      ARG  14   7.136  -2.294  -2.294
   99   1HD   ARG  14           HD2      ARG  14   5.853  -0.275  -0.275
  100   2HD   ARG  14           HD1      ARG  14   4.743  -0.505  -0.505
  101    HE   ARG  14           HE       ARG  14   7.543  -0.370  -0.370
  102   1HH1  ARG  14          HH11      ARG  14   4.588   1.376   1.376
  103   2HH1  ARG  14          HH12      ARG  14   5.031   2.729   2.729
  104   1HH2  ARG  14          HH21      ARG  14   8.101   1.415   1.415
  105   2HH2  ARG  14          HH22      ARG  14   7.009   2.752   2.752
  106    H    GLN  15           HN       GLN  15   4.429  -5.957  -5.957
  107    HA   GLN  15           HA       GLN  15   3.577  -7.066  -7.066
  108   1HB   GLN  15           HB2      GLN  15   3.241  -7.691  -7.691
  109   2HB   GLN  15           HB1      GLN  15   1.798  -8.002  -8.002
  110   1HG   GLN  15           HG2      GLN  15   3.022 -10.021 -10.021
  111   2HG   GLN  15           HG1      GLN  15   3.391  -9.200  -9.200
  112   1HE2  GLN  15          HE22      GLN  15   6.836  -9.048  -9.048
  113   2HE2  GLN  15          HE21      GLN  15   5.585  -8.909  -8.909
  114    H    ASN  16           HN       ASN  16   2.288  -5.742  -5.742
  115    HA   ASN  16           HA       ASN  16   0.656  -3.671  -3.671
  116   1HB   ASN  16           HB2      ASN  16   1.507  -4.231  -4.231
  117   2HB   ASN  16           HB1      ASN  16  -0.054  -5.046  -5.046
  118   1HD2  ASN  16          HD22      ASN  16  -1.134  -1.776  -1.776
  119   2HD2  ASN  16          HD21      ASN  16  -0.620  -3.283  -3.283
  120    H    CYS  17           HN       CYS  17  -0.990  -4.072  -4.072
  121    HA   CYS  17           HA       CYS  17  -2.514  -6.530  -6.530
  122   1HB   CYS  17           HB2      CYS  17  -2.024  -5.249  -5.249
  123   2HB   CYS  17           HB1      CYS  17  -3.092  -3.973  -3.973
  124    H    GLY  18           HN       GLY  18  -2.744  -3.366  -3.366
  125   1HA   GLY  18           HA2      GLY  18  -4.900  -4.125  -4.125
  126   2HA   GLY  18           HA1      GLY  18  -5.501  -3.096  -3.096
  127    H    PHE  19           HN       PHE  19  -5.845  -1.886  -1.886
  128    HA   PHE  19           HA       PHE  19  -3.577  -0.551  -0.551
  129   1HB   PHE  19           HB2      PHE  19  -5.340   1.070   1.070
  130   2HB   PHE  19           HB1      PHE  19  -5.511  -0.617  -0.617
  131    HD1  PHE  19           HD2      PHE  19  -7.182  -2.079  -2.079
  132    HD2  PHE  19           HD1      PHE  19  -7.043   2.189   2.189
  133    HE1  PHE  19           HE2      PHE  19  -9.484  -2.107  -2.107
  134    HE2  PHE  19           HE1      PHE  19  -9.353   2.157   2.157
  135    HZ   PHE  19           HZ       PHE  19 -10.569   0.009   0.009
  136    HA   PRO  20           HA       PRO  20  -2.962   2.754   2.754
  137   1HB   PRO  20           HB2      PRO  20  -2.324   4.836   4.836
  138   2HB   PRO  20           HB1      PRO  20  -1.212   3.584   3.584
  139   1HG   PRO  20           HG2      PRO  20  -2.234   3.978   3.978
  140   2HG   PRO  20           HG1      PRO  20  -1.094   2.750   2.750
  141   1HD   PRO  20           HD2      PRO  20  -3.951   2.485   2.485
  142   2HD   PRO  20           HD1      PRO  20  -2.730   1.218   1.218
  143    H    GLY  21           HN       GLY  21  -5.187   3.515   3.515
  144   1HA   GLY  21           HA2      GLY  21  -6.222   5.946   5.946
  145   2HA   GLY  21           HA1      GLY  21  -7.099   4.820   4.820
  146    H    VAL  22           HN       VAL  22  -6.339   2.856   2.856
  147    HA   VAL  22           HA       VAL  22  -8.940   2.797   2.797
  148    HB   VAL  22           HB       VAL  22  -7.899   1.384   1.384
  149   1HG1  VAL  22          HG11      VAL  22  -8.573   0.480   0.480
  150   2HG1  VAL  22          HG13      VAL  22  -6.912   0.710   0.710
  151   3HG1  VAL  22          HG12      VAL  22  -7.266  -0.424  -0.424
  152   1HG2  VAL  22          HG22      VAL  22  -5.426   2.489   2.489
  153   2HG2  VAL  22          HG21      VAL  22  -5.761   2.182   2.182
  154   3HG2  VAL  22          HG23      VAL  22  -5.386   0.841   0.841
  155    H    THR  23           HN       THR  23  -8.818   2.806   2.806
  156    HA   THR  23           HA       THR  23  -7.576   5.307   5.307
  157    HB   THR  23           HB       THR  23  -9.823   6.056   6.056
  158    HG1  THR  23           HG1      THR  23 -11.070   4.629   4.629
  159   1HG2  THR  23          HG21      THR  23  -8.663   6.931   6.931
  160   2HG2  THR  23          HG23      THR  23  -9.791   5.922   5.922
  161   3HG2  THR  23          HG22      THR  23 -10.398   7.221   7.221
  162    HA   PRO  24           HA       PRO  24  -6.818   3.560   3.560
  163   1HB   PRO  24           HB2      PRO  24  -8.825   5.282   5.282
  164   2HB   PRO  24           HB1      PRO  24  -7.071   5.239   5.239
  165   1HG   PRO  24           HG2      PRO  24  -8.629   7.061   7.061
  166   2HG   PRO  24           HG1      PRO  24  -6.888   7.080   7.080
  167   1HD   PRO  24           HD2      PRO  24  -7.999   6.571   6.571
  168   2HD   PRO  24           HD1      PRO  24  -6.386   6.021   6.021
  169    H    SER  25           HN       SER  25 -10.262   4.115   4.115
  170    HA   SER  25           HA       SER  25 -11.233   2.139   2.139
  171   1HB   SER  25           HB2      SER  25 -12.536   4.131   4.131
  172   2HB   SER  25           HB1      SER  25 -12.687   3.209   3.209
  173    HG   SER  25           HG       SER  25 -13.277   1.802   1.802
  174    H    GLN  26           HN       GLN  26 -10.774   2.232   2.232
  175    HA   GLN  26           HA       GLN  26 -11.695  -0.391  -0.391
  176   1HB   GLN  26           HB2      GLN  26  -9.939   1.570   1.570
  177   2HB   GLN  26           HB1      GLN  26  -9.946  -0.101  -0.101
  178   1HG   GLN  26           HG2      GLN  26 -12.608   1.100   1.100
  179   2HG   GLN  26           HG1      GLN  26 -11.740   1.740   1.740
  180   1HE2  GLN  26          HE22      GLN  26 -12.046  -1.251  -1.251
  181   2HE2  GLN  26          HE21      GLN  26 -11.257   0.246   0.246
  182    H    CYS  27           HN       CYS  27  -8.400   0.839   0.839
  183    HA   CYS  27           HA       CYS  27  -7.098  -1.675  -1.675
  184   1HB   CYS  27           HB2      CYS  27  -6.074   0.701   0.701
  185   2HB   CYS  27           HB1      CYS  27  -6.222   0.487   0.487
  186    H    ALA  28           HN       ALA  28  -8.847  -0.105  -0.105
  187    HA   ALA  28           HA       ALA  28  -8.060  -2.181  -2.181
  188   1HB   ALA  28           HB2      ALA  28  -9.910   0.204   0.204
  189   2HB   ALA  28           HB1      ALA  28  -9.740  -0.950  -0.950
  190   3HB   ALA  28           HB3      ALA  28  -8.348  -0.004  -0.004
  191    H    ASN  29           HN       ASN  29 -10.311  -1.976  -1.976
  192    HA   ASN  29           HA       ASN  29 -12.604  -3.170  -3.170
  193   1HB   ASN  29           HB2      ASN  29 -12.365  -2.065  -2.065
  194   2HB   ASN  29           HB1      ASN  29 -11.725  -3.621  -3.621
  195   1HD2  ASN  29          HD22      ASN  29 -15.708  -3.191  -3.191
  196   2HD2  ASN  29          HD21      ASN  29 -14.635  -1.889  -1.889
  197    H    LYS  30           HN       LYS  30  -9.571  -4.500  -4.500
  198    HA   LYS  30           HA       LYS  30 -10.592  -7.225  -7.225
  199   1HB   LYS  30           HB2      LYS  30  -8.435  -6.119  -6.119
  200   2HB   LYS  30           HB1      LYS  30  -8.328  -7.786  -7.786
  201   1HG   LYS  30           HG2      LYS  30 -10.578  -8.243  -8.243
  202   2HG   LYS  30           HG1      LYS  30 -10.687  -6.576  -6.576
  203   1HD   LYS  30           HD2      LYS  30  -8.400  -8.359  -8.359
  204   2HD   LYS  30           HD1      LYS  30  -9.931  -8.369  -8.369
  205   1HE   LYS  30           HE2      LYS  30  -8.476  -5.790  -5.790
  206   2HE   LYS  30           HE1      LYS  30  -8.095  -6.757  -6.757
  207   1HZ   LYS  30           HZ1      LYS  30 -10.783  -6.659  -6.659
  208   2HZ   LYS  30           HZ3      LYS  30 -10.349  -5.107  -5.107
  209   3HZ   LYS  30           HZ2      LYS  30  -9.754  -5.695  -5.695
  210    H    GLY  31           HN       GLY  31  -7.918  -4.958  -4.958
  211   1HA   GLY  31           HA2      GLY  31  -7.244  -5.035  -5.035
  212   2HA   GLY  31           HA1      GLY  31  -7.097  -6.777  -6.777
  213    H    CYS  32           HN       CYS  32  -6.155  -4.527  -4.527
  214    HA   CYS  32           HA       CYS  32  -3.404  -5.530  -5.530
  215   1HB   CYS  32           HB2      CYS  32  -5.036  -4.158  -4.158
  216   2HB   CYS  32           HB1      CYS  32  -3.286  -3.940  -3.940
  217    H    CYS  33           HN       CYS  33  -1.587  -4.126  -4.126
  218    HA   CYS  33           HA       CYS  33  -2.089  -1.860  -1.860
  219   1HB   CYS  33           HB2      CYS  33   0.481  -2.631  -2.631
  220   2HB   CYS  33           HB1      CYS  33   0.329  -1.576  -1.576
  221    H    PHE  34           HN       PHE  34  -2.065   0.344   0.344
  222    HA   PHE  34           HA       PHE  34  -1.727   0.980   0.980
  223   1HB   PHE  34           HB2      PHE  34  -4.080   1.184   1.184
  224   2HB   PHE  34           HB1      PHE  34  -3.493   2.432   2.432
  225    HD1  PHE  34           HD1      PHE  34  -2.701   4.598   4.598
  226    HD2  PHE  34           HD2      PHE  34  -4.231   1.582   1.582
  227    HE1  PHE  34           HE1      PHE  34  -2.893   6.283   6.283
  228    HE2  PHE  34           HE2      PHE  34  -4.423   3.266   3.266
  229    HZ   PHE  34           HZ       PHE  34  -3.753   5.617   5.617
  230    H    ASP  35           HN       ASP  35   0.060   2.228   2.228
  231    HA   ASP  35           HA       ASP  35   0.787   4.201   4.201
  232   1HB   ASP  35           HB2      ASP  35   2.231   2.048   2.048
  233   2HB   ASP  35           HB1      ASP  35   2.863   2.703   2.703
  234    H    ASP  36           HN       ASP  36   0.742   6.214   6.214
  235    HA   ASP  36           HA       ASP  36   1.369   6.432   6.432
  236   1HB   ASP  36           HB2      ASP  36  -0.043   8.502   8.502
  237   2HB   ASP  36           HB1      ASP  36  -0.948   7.032   7.032
  238    H    THR  37           HN       THR  37   3.678   6.568   6.568
  239    HA   THR  37           HA       THR  37   4.280   9.244   9.244
  240    HB   THR  37           HB       THR  37   6.405   8.258   8.258
  241    HG1  THR  37           HG1      THR  37   5.393   6.103   6.103
  242   1HG2  THR  37          HG23      THR  37   3.814   6.929   6.929
  243   2HG2  THR  37          HG22      THR  37   5.325   6.454   6.454
  244   3HG2  THR  37          HG21      THR  37   4.753   8.118   8.118
  245    H    VAL  38           HN       VAL  38   5.163   6.838   6.838
  246    HA   VAL  38           HA       VAL  38   6.649   8.999   8.999
  247    HB   VAL  38           HB       VAL  38   7.034   6.003   6.003
  248   1HG1  VAL  38          HG11      VAL  38   7.625   7.356   7.356
  249   2HG1  VAL  38          HG13      VAL  38   8.682   8.348   8.348
  250   3HG1  VAL  38          HG12      VAL  38   9.051   6.642   6.642
  251   1HG2  VAL  38          HG23      VAL  38   7.699   6.937   6.937
  252   2HG2  VAL  38          HG22      VAL  38   9.057   6.299   6.299
  253   3HG2  VAL  38          HG21      VAL  38   8.792   8.039   8.039
  254    H    ARG  39           HN       ARG  39   6.266   9.227   9.227
  255    HA   ARG  39           HA       ARG  39   3.675   8.123   8.123
  256   1HB   ARG  39           HB2      ARG  39   5.379  10.449  10.449
  257   2HB   ARG  39           HB1      ARG  39   4.315   9.755   9.755
  258   1HG   ARG  39           HG2      ARG  39   2.394  10.363  10.363
  259   2HG   ARG  39           HG1      ARG  39   3.161  10.253  10.253
  260   1HD   ARG  39           HD2      ARG  39   2.813  12.584  12.584
  261   2HD   ARG  39           HD1      ARG  39   4.530  12.300  12.300
  262    HE   ARG  39           HE       ARG  39   3.181  11.979  11.979
  263   1HH1  ARG  39          HH21      ARG  39   3.942  14.444  14.444
  264   2HH1  ARG  39          HH22      ARG  39   3.957  15.729  15.729
  265   1HH2  ARG  39          HH11      ARG  39   3.207  13.678  13.678
  266   2HH2  ARG  39          HH12      ARG  39   3.542  15.295  15.295
  267    H    GLY  40           HN       GLY  40   3.746   7.795   7.795
  268   1HA   GLY  40           HA2      GLY  40   4.474   6.430   6.430
  269   2HA   GLY  40           HA1      GLY  40   6.111   6.727   6.727
  270    H    VAL  41           HN       VAL  41   4.232   5.514   5.514
  271    HA   VAL  41           HA       VAL  41   4.993   2.718   2.718
  272    HB   VAL  41           HB       VAL  41   5.612   2.464   2.464
  273   1HG1  VAL  41          HG13      VAL  41   7.057   4.433   4.433
  274   2HG1  VAL  41          HG12      VAL  41   7.710   3.969   3.969
  275   3HG1  VAL  41          HG11      VAL  41   7.459   2.747   2.747
  276   1HG2  VAL  41          HG23      VAL  41   4.212   4.578   4.578
  277   2HG2  VAL  41          HG22      VAL  41   5.729   4.313   4.313
  278   3HG2  VAL  41          HG21      VAL  41   5.658   5.476   5.476
  279    HA   PRO  42           HA       PRO  42   0.945   1.744   1.744
  280   1HB   PRO  42           HB2      PRO  42   1.472  -0.810  -0.810
  281   2HB   PRO  42           HB1      PRO  42   1.169  -0.403  -0.403
  282   1HG   PRO  42           HG2      PRO  42   3.590  -1.343  -1.343
  283   2HG   PRO  42           HG1      PRO  42   3.299  -0.886  -0.886
  284   1HD   PRO  42           HD2      PRO  42   4.592   0.664   0.664
  285   2HD   PRO  42           HD1      PRO  42   4.741   0.837   0.837
  286    H    TRP  43           HN       TRP  43  -0.152   2.284   2.284
  287    HA   TRP  43           HA       TRP  43   1.372   2.371   2.371
  288   1HB   TRP  43           HB2      TRP  43  -1.452   3.322   3.322
  289   2HB   TRP  43           HB1      TRP  43  -0.459   3.728   3.728
  290    HD1  TRP  43           HD1      TRP  43   2.255   4.422   4.422
  291    HE1  TRP  43           HE1      TRP  43   2.470   6.524   6.524
  292    HE3  TRP  43           HE3      TRP  43  -2.661   5.204   5.204
  293    HZ2  TRP  43           HZ2      TRP  43   0.783   8.303   8.303
  294    HZ3  TRP  43           HZ3      TRP  43  -3.328   7.109   7.109
  295    HH2  TRP  43           HH2      TRP  43  -1.613   8.657   8.657
  296    H    CYS  44           HN       CYS  44  -1.723   1.006   1.006
  297    HA   CYS  44           HA       CYS  44  -2.166  -0.475  -0.475
  298   1HB   CYS  44           HB2      CYS  44  -3.976   0.365   0.365
  299   2HB   CYS  44           HB1      CYS  44  -3.486  -0.918  -0.918
  300    H    PHE  45           HN       PHE  45  -0.734  -2.122  -2.122
  301    HA   PHE  45           HA       PHE  45  -0.377  -4.174  -4.174
  302   1HB   PHE  45           HB2      PHE  45   2.053  -4.381  -4.381
  303   2HB   PHE  45           HB1      PHE  45   1.681  -3.020  -3.020
  304    HD1  PHE  45           HD2      PHE  45   1.715  -3.896  -3.896
  305    HD2  PHE  45           HD1      PHE  45   2.371  -0.893  -0.893
  306    HE1  PHE  45           HE2      PHE  45   2.514  -2.330  -2.330
  307    HE2  PHE  45           HE1      PHE  45   3.168   0.677   0.677
  308    HZ   PHE  45           HZ       PHE  45   3.237  -0.043  -0.043
  309    H    TYR  46           HN       TYR  46   1.041  -6.073  -6.073
  310    HA   TYR  46           HA       TYR  46  -0.723  -6.756  -6.756
  311   1HB   TYR  46           HB2      TYR  46   1.181  -8.271  -8.271
  312   2HB   TYR  46           HB1      TYR  46   0.693  -8.956  -8.956
  313    HD1  TYR  46           HD2      TYR  46  -1.778  -9.243  -9.243
  314    HD2  TYR  46           HD1      TYR  46  -0.292  -8.280  -8.280
  315    HE1  TYR  46           HE2      TYR  46  -3.927  -9.975  -9.975
  316    HE2  TYR  46           HE1      TYR  46  -2.443  -9.012  -9.012
  317    HH   TYR  46           HH       TYR  46  -4.642 -10.877 -10.877
  318    HA   PRO  47           HA       PRO  47   2.469  -6.192  -6.192
  319   1HB   PRO  47           HB2      PRO  47   1.478  -7.943  -7.943
  320   2HB   PRO  47           HB1      PRO  47   0.844  -6.320  -6.320
  321   1HG   PRO  47           HG2      PRO  47  -0.436  -8.834  -8.834
  322   2HG   PRO  47           HG1      PRO  47  -1.069  -7.208  -7.208
  323   1HD   PRO  47           HD2      PRO  47   0.123  -9.125  -9.125
  324   2HD   PRO  47           HD1      PRO  47  -0.955  -7.748  -7.748
  325    H    ASN  48           HN       ASN  48   3.989  -7.509  -7.509
  326    HA   ASN  48           HA       ASN  48   4.606 -10.190 -10.190
  327   1HB   ASN  48           HB2      ASN  48   6.408  -7.778  -7.778
  328   2HB   ASN  48           HB1      ASN  48   7.092  -9.399  -9.399
  329   1HD2  ASN  48          HD22      ASN  48   5.637  -8.138  -8.138
  330   2HD2  ASN  48          HD21      ASN  48   5.656  -7.124  -7.124
  331    H    THR  49           HN       THR  49   3.833 -10.908 -10.908
  332    HA   THR  49           HA       THR  49   4.903  -9.890  -9.890
  333    HB   THR  49           HB       THR  49   4.007 -12.045 -12.045
  334    HG1  THR  49           HG1      THR  49   2.684 -13.169 -13.169
  335   1HG2  THR  49          HG21      THR  49   2.665  -9.868  -9.868
  336   2HG2  THR  49          HG23      THR  49   1.937 -10.913 -10.913
  337   3HG2  THR  49          HG22      THR  49   1.799 -11.322 -11.322
  338    H    ILE  50           HN       ILE  50   6.833 -10.354 -10.354
  339    HA   ILE  50           HA       ILE  50   8.445 -12.563 -12.563
  340    HB   ILE  50           HB       ILE  50   9.453 -10.005 -10.005
  341   1HG1  ILE  50          HG12      ILE  50   9.558 -10.766 -10.766
  342   2HG1  ILE  50          HG11      ILE  50   8.252  -9.788  -9.788
  343   1HG2  ILE  50          HG23      ILE  50  10.879 -12.122 -12.122
  344   2HG2  ILE  50          HG22      ILE  50  10.956 -12.038 -12.038
  345   3HG2  ILE  50          HG21      ILE  50  11.626 -10.730 -10.730
  346   1HD1  ILE  50          HD13      ILE  50  11.175  -9.078  -9.078
  347   2HD1  ILE  50          HD12      ILE  50  10.193  -8.475  -8.475
  348   3HD1  ILE  50          HD11      ILE  50   9.773  -8.059  -8.059
  349    H    ASP  51           HN       ASP  51   9.384 -14.012 -14.012
  350    HA   ASP  51           HA       ASP  51   9.168 -13.405 -13.405
  351   1HB   ASP  51           HB2      ASP  51   8.203 -15.680 -15.680
  352   2HB   ASP  51           HB1      ASP  51   7.111 -14.614 -14.614
  353    H    VAL  52           HN       VAL  52  10.407 -15.114 -15.114
  354    HA   VAL  52           HA       VAL  52  12.997 -15.481 -15.481
  355    HB   VAL  52           HB       VAL  52  13.456 -16.746 -16.746
  356   1HG1  VAL  52          HG13      VAL  52  13.328 -14.140 -14.140
  357   2HG1  VAL  52          HG12      VAL  52  11.889 -14.286 -14.286
  358   3HG1  VAL  52          HG11      VAL  52  13.452 -14.828 -14.828
  359   1HG2  VAL  52          HG23      VAL  52  10.468 -16.424 -16.424
  360   2HG2  VAL  52          HG22      VAL  52  11.452 -17.862 -17.862
  361   3HG2  VAL  52          HG21      VAL  52  11.477 -16.539 -16.539
  362    HA   PRO  53           HA       PRO  53  11.807 -19.497 -19.497
  363   1HB   PRO  53           HB2      PRO  53  13.575 -19.322 -19.322
  364   2HB   PRO  53           HB1      PRO  53  11.962 -18.592 -18.592
  365   1HG   PRO  53           HG2      PRO  53  14.517 -17.276 -17.276
  366   2HG   PRO  53           HG1      PRO  53  12.903 -16.553 -16.553
  367   1HD   PRO  53           HD2      PRO  53  14.679 -16.874 -16.874
  368   2HD   PRO  53           HD1      PRO  53  13.316 -15.763 -15.763
  369    HA   PRO  54           HA       PRO  54  15.383 -21.993 -21.993
  370   1HB   PRO  54           HB2      PRO  54  14.956 -24.165 -24.165
  371   2HB   PRO  54           HB1      PRO  54  14.037 -23.834 -23.834
  372   1HG   PRO  54           HG2      PRO  54  13.109 -23.787 -23.787
  373   2HG   PRO  54           HG1      PRO  54  12.192 -23.466 -23.466
  374   1HD   PRO  54           HD2      PRO  54  13.391 -21.547 -21.547
  375   2HD   PRO  54           HD1      PRO  54  12.058 -21.312 -21.312
  376    H    GLU  55           HN       GLU  55  14.947 -22.224 -22.224
  377    HA   GLU  55           HA       GLU  55  17.812 -21.562 -21.562
  378   1HB   GLU  55           HB2      GLU  55  16.375 -24.018 -24.018
  379   2HB   GLU  55           HB1      GLU  55  17.609 -23.332 -23.332
  380   1HG   GLU  55           HG2      GLU  55  19.294 -24.034 -24.034
  381   2HG   GLU  55           HG1      GLU  55  18.485 -23.457 -23.457
  382    H    GLU  56           HN       GLU  56  17.492 -19.542 -19.542
  383    HA   GLU  56           HA       GLU  56  15.449 -19.240 -19.240
  384   1HB   GLU  56           HB2      GLU  56  16.235 -16.865 -16.865
  385   2HB   GLU  56           HB1      GLU  56  15.716 -17.413 -17.413
  386   1HG   GLU  56           HG2      GLU  56  17.728 -16.795 -16.795
  387   2HG   GLU  56           HG1      GLU  56  18.456 -18.080 -18.080
  388    H    GLU  57           HN       GLU  57  16.021 -20.084 -20.084
  389    HA   GLU  57           HA       GLU  57  18.520 -19.111 -19.111
  390   1HB   GLU  57           HB2      GLU  57  17.928 -21.935 -21.935
  391   2HB   GLU  57           HB1      GLU  57  18.615 -21.661 -21.661
  392   1HG   GLU  57           HG2      GLU  57  20.607 -20.836 -20.836
  393   2HG   GLU  57           HG1      GLU  57  19.858 -20.252 -20.252
  394    H    SER  58           HN       SER  58  18.204 -18.613 -18.613
  395    HA   SER  58           HA       SER  58  15.871 -19.820 -19.820
  396   1HB   SER  58           HB2      SER  58  16.539 -16.868 -16.868
  397   2HB   SER  58           HB1      SER  58  15.336 -17.571 -17.571
  398    HG   SER  58           HG       SER  58  14.868 -18.509 -18.509
  399    H    GLU  59           HN       GLU  59  15.991 -19.178 -19.178
  400    HA   GLU  59           HA       GLU  59  18.774 -19.665 -19.665
  401   1HB   GLU  59           HB2      GLU  59  16.831 -21.107 -21.107
  402   2HB   GLU  59           HB1      GLU  59  16.283 -19.703 -19.703
  403   1HG   GLU  59           HG2      GLU  59  19.133 -20.609 -20.609
  404   2HG   GLU  59           HG1      GLU  59  17.868 -21.465 -21.465
  405    H    PHE  60           HN       PHE  60  19.971 -17.929 -17.929
  406    HA   PHE  60           HA       PHE  60  18.529 -15.497 -15.497
  407   1HB   PHE  60           HB2      PHE  60  21.222 -16.066 -16.066
  408   2HB   PHE  60           HB1      PHE  60  21.046 -14.648 -14.648
  409    HD1  PHE  60           HD1      PHE  60  19.112 -16.365 -16.365
  410    HD2  PHE  60           HD2      PHE  60  20.507 -12.658 -12.658
  411    HE1  PHE  60           HE1      PHE  60  18.052 -15.128 -15.128
  412    HE2  PHE  60           HE2      PHE  60  19.447 -11.421 -11.421
  413    HZ   PHE  60           HZ       PHE  60  18.221 -12.656 -12.656

  Start of MODEL    4
    1   1H    GLU   1           HT2      GLU   1   7.109 -15.293 -15.293
    2   2H    GLU   1           HT1      GLU   1   5.576 -15.911 -15.911
    3   3H    GLU   1           HT3      GLU   1   6.645 -16.837 -16.837
    4    HA   GLU   1           HA       GLU   1   5.590 -16.058 -16.058
    5   1HB   GLU   1           HB2      GLU   1   4.064 -14.091 -14.091
    6   2HB   GLU   1           HB1      GLU   1   3.716 -15.321 -15.321
    7   1HG   GLU   1           HG2      GLU   1   5.491 -13.845 -13.845
    8   2HG   GLU   1           HG1      GLU   1   4.840 -12.585 -12.585
    9    H    ALA   2           HN       ALA   2   6.167 -14.609 -14.609
   10    HA   ALA   2           HA       ALA   2   7.811 -12.280 -12.280
   11   1HB   ALA   2           HB2      ALA   2   9.287 -14.421 -14.421
   12   2HB   ALA   2           HB1      ALA   2   9.041 -14.408 -14.408
   13   3HB   ALA   2           HB3      ALA   2   9.823 -13.040 -13.040
   14    H    GLN   3           HN       GLN   3   5.258 -12.668 -12.668
   15    HA   GLN   3           HA       GLN   3   5.794 -12.500 -12.500
   16   1HB   GLN   3           HB2      GLN   3   3.232 -12.036 -12.036
   17   2HB   GLN   3           HB1      GLN   3   3.366 -12.207 -12.207
   18   1HG   GLN   3           HG2      GLN   3   2.841 -14.388 -14.388
   19   2HG   GLN   3           HG1      GLN   3   4.597 -14.474 -14.474
   20   1HE2  GLN   3          HE22      GLN   3   4.167 -15.631 -15.631
   21   2HE2  GLN   3          HE21      GLN   3   4.852 -15.893 -15.893
   22    H    THR   4           HN       THR   4   6.617 -10.606 -10.606
   23    HA   THR   4           HA       THR   4   5.765  -8.087  -8.087
   24    HB   THR   4           HB       THR   4   7.779  -7.101  -7.101
   25    HG1  THR   4           HG1      THR   4   8.289  -9.770  -9.770
   26   1HG2  THR   4          HG23      THR   4   8.184  -9.612  -9.612
   27   2HG2  THR   4          HG22      THR   4   9.469  -8.448  -8.448
   28   3HG2  THR   4          HG21      THR   4   8.047  -7.956  -7.956
   29    H    GLU   5           HN       GLU   5   4.590  -6.617  -6.617
   30    HA   GLU   5           HA       GLU   5   3.751  -7.407  -7.407
   31   1HB   GLU   5           HB2      GLU   5   2.984  -5.099  -5.099
   32   2HB   GLU   5           HB1      GLU   5   2.291  -5.366  -5.366
   33   1HG   GLU   5           HG2      GLU   5   1.576  -7.646  -7.646
   34   2HG   GLU   5           HG1      GLU   5   2.152  -7.257  -7.257
   35    H    THR   6           HN       THR   6   4.525  -6.476  -6.476
   36    HA   THR   6           HA       THR   6   5.941  -3.913  -3.913
   37    HB   THR   6           HB       THR   6   7.310  -6.295  -6.295
   38    HG1  THR   6           HG1      THR   6   7.374  -5.311  -5.311
   39   1HG2  THR   6          HG21      THR   6   8.150  -3.511  -3.511
   40   2HG2  THR   6          HG23      THR   6   9.300  -4.770  -4.770
   41   3HG2  THR   6          HG22      THR   6   8.126  -4.185  -4.185
   42    H    CYS   7           HN       CYS   7   4.956  -2.760  -2.760
   43    HA   CYS   7           HA       CYS   7   4.253  -4.201  -4.201
   44   1HB   CYS   7           HB2      CYS   7   3.174  -1.616  -1.616
   45   2HB   CYS   7           HB1      CYS   7   2.725  -2.264  -2.264
   46    H    THR   8           HN       THR   8   6.336  -1.797  -1.797
   47    HA   THR   8           HA       THR   8   6.814  -0.265  -0.265
   48    HB   THR   8           HB       THR   8   7.384   0.633   0.633
   49    HG1  THR   8           HG1      THR   8   9.706   1.001   1.001
   50   1HG2  THR   8          HG22      THR   8   8.072  -1.811  -1.811
   51   2HG2  THR   8          HG21      THR   8   9.676  -1.274  -1.274
   52   3HG2  THR   8          HG23      THR   8   8.803  -0.395  -0.395
   53    H    VAL   9           HN       VAL   9   7.547  -1.307  -1.307
   54    HA   VAL   9           HA       VAL   9   9.930  -3.041  -3.041
   55    HB   VAL   9           HB       VAL   9   7.631  -3.573  -3.573
   56   1HG1  VAL   9          HG13      VAL   9  10.254  -4.911  -4.911
   57   2HG1  VAL   9          HG12      VAL   9   8.897  -5.863  -5.863
   58   3HG1  VAL   9          HG11      VAL   9   9.544  -4.540  -4.540
   59   1HG2  VAL   9          HG21      VAL   9   8.191  -4.459  -4.459
   60   2HG2  VAL   9          HG23      VAL   9   6.644  -4.237  -4.237
   61   3HG2  VAL   9          HG22      VAL   9   7.605  -5.684  -5.684
   62    H    ALA  10           HN       ALA  10  10.965  -3.375  -3.375
   63    HA   ALA  10           HA       ALA  10  11.587  -0.780  -0.780
   64   1HB   ALA  10           HB3      ALA  10  12.175  -3.567  -3.567
   65   2HB   ALA  10           HB2      ALA  10  12.793  -2.110  -2.110
   66   3HB   ALA  10           HB1      ALA  10  13.263  -2.495  -2.495
   67    HA   PRO  11           HA       PRO  11   7.935   0.026   0.026
   68   1HB   PRO  11           HB2      PRO  11   9.828   1.227   1.227
   69   2HB   PRO  11           HB1      PRO  11   8.480   1.972   1.972
   70   1HG   PRO  11           HG2      PRO  11  11.254   2.133   2.133
   71   2HG   PRO  11           HG1      PRO  11   9.900   2.841   2.841
   72   1HD   PRO  11           HD2      PRO  11  11.556   0.787   0.787
   73   2HD   PRO  11           HD1      PRO  11   9.981   1.228   1.228
   74    H    ARG  12           HN       ARG  12  10.954  -1.341  -1.341
   75    HA   ARG  12           HA       ARG  12   9.668  -2.300  -2.300
   76   1HB   ARG  12           HB2      ARG  12  11.831  -3.494  -3.494
   77   2HB   ARG  12           HB1      ARG  12  12.049  -1.771  -1.771
   78   1HG   ARG  12           HG2      ARG  12  12.211  -2.573  -2.573
   79   2HG   ARG  12           HG1      ARG  12  12.662  -4.107  -4.107
   80   1HD   ARG  12           HD2      ARG  12  14.389  -2.850  -2.850
   81   2HD   ARG  12           HD1      ARG  12  14.021  -1.424  -1.424
   82    HE   ARG  12           HE       ARG  12  14.729  -3.840  -3.840
   83   1HH1  ARG  12          HH11      ARG  12  15.719  -0.802  -0.802
   84   2HH1  ARG  12          HH12      ARG  12  17.124  -0.650  -0.650
   85   1HH2  ARG  12          HH21      ARG  12  16.576  -3.620  -3.620
   86   2HH2  ARG  12          HH22      ARG  12  17.606  -2.239  -2.239
   87    H    GLU  13           HN       GLU  13  10.853  -3.812  -3.812
   88    HA   GLU  13           HA       GLU  13   9.746  -6.389  -6.389
   89   1HB   GLU  13           HB2      GLU  13  11.150  -5.330  -5.330
   90   2HB   GLU  13           HB1      GLU  13  10.418  -6.936  -6.936
   91   1HG   GLU  13           HG2      GLU  13  12.250  -6.127  -6.127
   92   2HG   GLU  13           HG1      GLU  13  12.941  -6.642  -6.642
   93    H    ARG  14           HN       ARG  14   7.772  -4.327  -4.327
   94    HA   ARG  14           HA       ARG  14   6.245  -4.877  -4.877
   95   1HB   ARG  14           HB2      ARG  14   6.172  -2.696  -2.696
   96   2HB   ARG  14           HB1      ARG  14   4.756  -3.011  -3.011
   97   1HG   ARG  14           HG2      ARG  14   6.445  -2.928  -2.928
   98   2HG   ARG  14           HG1      ARG  14   7.497  -2.095  -2.095
   99   1HD   ARG  14           HD2      ARG  14   5.664  -0.462  -0.462
  100   2HD   ARG  14           HD1      ARG  14   4.695  -1.259  -1.259
  101    HE   ARG  14           HE       ARG  14   6.977  -0.679  -0.679
  102   1HH1  ARG  14          HH11      ARG  14   4.904   1.193   1.193
  103   2HH1  ARG  14          HH12      ARG  14   5.241   2.694   2.694
  104   1HH2  ARG  14          HH21      ARG  14   7.403   1.299   1.299
  105   2HH2  ARG  14          HH22      ARG  14   6.649   2.752   2.752
  106    H    GLN  15           HN       GLN  15   4.193  -5.860  -5.860
  107    HA   GLN  15           HA       GLN  15   3.624  -7.243  -7.243
  108   1HB   GLN  15           HB2      GLN  15   2.299  -7.498  -7.498
  109   2HB   GLN  15           HB1      GLN  15   2.058  -8.568  -8.568
  110   1HG   GLN  15           HG2      GLN  15   4.841  -8.111  -8.111
  111   2HG   GLN  15           HG1      GLN  15   3.780  -9.229  -9.229
  112   1HE2  GLN  15          HE22      GLN  15   4.911 -10.164 -10.164
  113   2HE2  GLN  15          HE21      GLN  15   4.896  -8.538  -8.538
  114    H    ASN  16           HN       ASN  16   2.376  -6.079  -6.079
  115    HA   ASN  16           HA       ASN  16   0.762  -3.873  -3.873
  116   1HB   ASN  16           HB2      ASN  16   1.647  -4.676  -4.676
  117   2HB   ASN  16           HB1      ASN  16   0.151  -5.610  -5.610
  118   1HD2  ASN  16          HD22      ASN  16   0.014  -1.673  -1.673
  119   2HD2  ASN  16          HD21      ASN  16   1.470  -2.537  -2.537
  120    H    CYS  17           HN       CYS  17  -0.957  -4.014  -4.014
  121    HA   CYS  17           HA       CYS  17  -2.572  -6.451  -6.451
  122   1HB   CYS  17           HB2      CYS  17  -1.927  -5.186  -5.186
  123   2HB   CYS  17           HB1      CYS  17  -2.932  -3.851  -3.851
  124    H    GLY  18           HN       GLY  18  -2.604  -3.398  -3.398
  125   1HA   GLY  18           HA2      GLY  18  -4.815  -3.981  -3.981
  126   2HA   GLY  18           HA1      GLY  18  -5.418  -3.024  -3.024
  127    H    PHE  19           HN       PHE  19  -5.776  -1.710  -1.710
  128    HA   PHE  19           HA       PHE  19  -3.525  -0.297  -0.297
  129   1HB   PHE  19           HB2      PHE  19  -5.322   1.335   1.335
  130   2HB   PHE  19           HB1      PHE  19  -5.454  -0.330  -0.330
  131    HD1  PHE  19           HD2      PHE  19  -7.106  -1.882  -1.882
  132    HD2  PHE  19           HD1      PHE  19  -7.032   2.340   2.340
  133    HE1  PHE  19           HE2      PHE  19  -9.406  -2.014  -2.014
  134    HE2  PHE  19           HE1      PHE  19  -9.339   2.204   2.204
  135    HZ   PHE  19           HZ       PHE  19 -10.521   0.028   0.028
  136    HA   PRO  20           HA       PRO  20  -2.975   2.895   2.895
  137   1HB   PRO  20           HB2      PRO  20  -2.388   5.065   5.065
  138   2HB   PRO  20           HB1      PRO  20  -1.248   3.813   3.813
  139   1HG   PRO  20           HG2      PRO  20  -2.285   4.303   4.303
  140   2HG   PRO  20           HG1      PRO  20  -1.120   3.073   3.073
  141   1HD   PRO  20           HD2      PRO  20  -3.974   2.780   2.780
  142   2HD   PRO  20           HD1      PRO  20  -2.727   1.529   1.529
  143    H    GLY  21           HN       GLY  21  -5.227   3.730   3.730
  144   1HA   GLY  21           HA2      GLY  21  -6.304   6.100   6.100
  145   2HA   GLY  21           HA1      GLY  21  -7.178   4.979   4.979
  146    H    VAL  22           HN       VAL  22  -6.374   2.943   2.943
  147    HA   VAL  22           HA       VAL  22  -8.944   2.861   2.861
  148    HB   VAL  22           HB       VAL  22  -7.839   1.380   1.380
  149   1HG1  VAL  22          HG12      VAL  22  -8.653   0.598   0.598
  150   2HG1  VAL  22          HG11      VAL  22  -6.985   0.732   0.732
  151   3HG1  VAL  22          HG13      VAL  22  -7.394  -0.403  -0.403
  152   1HG2  VAL  22          HG22      VAL  22  -5.395   2.325   2.325
  153   2HG2  VAL  22          HG21      VAL  22  -5.666   2.299   2.299
  154   3HG2  VAL  22          HG23      VAL  22  -5.406   0.790   0.790
  155    H    THR  23           HN       THR  23  -9.269   3.080   3.080
  156    HA   THR  23           HA       THR  23  -7.799   5.456   5.456
  157    HB   THR  23           HB       THR  23  -9.991   6.150   6.150
  158    HG1  THR  23           HG1      THR  23 -11.810   5.170   5.170
  159   1HG2  THR  23          HG22      THR  23  -9.913   5.946   5.946
  160   2HG2  THR  23          HG21      THR  23 -10.915   7.067   7.067
  161   3HG2  THR  23          HG23      THR  23  -9.160   7.213   7.213
  162    HA   PRO  24           HA       PRO  24  -6.756   3.592   3.592
  163   1HB   PRO  24           HB2      PRO  24  -8.613   5.316   5.316
  164   2HB   PRO  24           HB1      PRO  24  -6.846   5.253   5.253
  165   1HG   PRO  24           HG2      PRO  24  -8.524   7.118   7.118
  166   2HG   PRO  24           HG1      PRO  24  -6.763   7.121   7.121
  167   1HD   PRO  24           HD2      PRO  24  -8.093   6.668   6.668
  168   2HD   PRO  24           HD1      PRO  24  -6.442   6.113   6.113
  169    H    SER  25           HN       SER  25 -10.239   4.260   4.260
  170    HA   SER  25           HA       SER  25 -11.170   2.340   2.340
  171   1HB   SER  25           HB2      SER  25 -12.409   3.827   3.827
  172   2HB   SER  25           HB1      SER  25 -13.300   2.533   2.533
  173    HG   SER  25           HG       SER  25 -13.669   4.603   4.603
  174    H    GLN  26           HN       GLN  26 -10.774   2.240   2.240
  175    HA   GLN  26           HA       GLN  26 -11.703  -0.406  -0.406
  176   1HB   GLN  26           HB2      GLN  26  -9.874   1.397   1.397
  177   2HB   GLN  26           HB1      GLN  26 -10.128  -0.274  -0.274
  178   1HG   GLN  26           HG2      GLN  26 -12.554   1.327   1.327
  179   2HG   GLN  26           HG1      GLN  26 -11.719   1.716   1.716
  180   1HE2  GLN  26          HE22      GLN  26 -12.969  -1.116  -1.116
  181   2HE2  GLN  26          HE21      GLN  26 -12.211   0.400   0.400
  182    H    CYS  27           HN       CYS  27  -8.337   0.835   0.835
  183    HA   CYS  27           HA       CYS  27  -7.130  -1.741  -1.741
  184   1HB   CYS  27           HB2      CYS  27  -6.048   0.621   0.621
  185   2HB   CYS  27           HB1      CYS  27  -6.014   0.593   0.593
  186    H    ALA  28           HN       ALA  28  -8.762   0.128   0.128
  187    HA   ALA  28           HA       ALA  28  -7.770  -1.594  -1.594
  188   1HB   ALA  28           HB3      ALA  28  -9.724   0.710   0.710
  189   2HB   ALA  28           HB2      ALA  28  -9.448  -0.228  -0.228
  190   3HB   ALA  28           HB1      ALA  28  -8.122   0.680   0.680
  191    H    ASN  29           HN       ASN  29 -10.211  -1.780  -1.780
  192    HA   ASN  29           HA       ASN  29 -12.070  -3.282  -3.282
  193   1HB   ASN  29           HB2      ASN  29 -12.870  -1.679  -1.679
  194   2HB   ASN  29           HB1      ASN  29 -12.205  -2.784  -2.784
  195   1HD2  ASN  29          HD22      ASN  29 -15.759  -3.633  -3.633
  196   2HD2  ASN  29          HD21      ASN  29 -14.920  -2.198  -2.198
  197    H    LYS  30           HN       LYS  30  -9.546  -3.800  -3.800
  198    HA   LYS  30           HA       LYS  30 -10.260  -6.626  -6.626
  199   1HB   LYS  30           HB2      LYS  30  -9.089  -4.829  -4.829
  200   2HB   LYS  30           HB1      LYS  30  -7.678  -5.682  -5.682
  201   1HG   LYS  30           HG2      LYS  30  -8.279  -7.671  -7.671
  202   2HG   LYS  30           HG1      LYS  30 -10.004  -7.367  -7.367
  203   1HD   LYS  30           HD2      LYS  30  -9.669  -7.201  -7.201
  204   2HD   LYS  30           HD1      LYS  30  -9.682  -5.522  -5.522
  205   1HE   LYS  30           HE2      LYS  30  -7.047  -6.902  -6.902
  206   2HE   LYS  30           HE1      LYS  30  -7.727  -6.521  -6.521
  207   1HZ   LYS  30           HZ1      LYS  30  -8.163  -4.299  -4.299
  208   2HZ   LYS  30           HZ3      LYS  30  -6.620  -4.802  -4.802
  209   3HZ   LYS  30           HZ2      LYS  30  -6.935  -4.516  -4.516
  210    H    GLY  31           HN       GLY  31  -7.963  -4.573  -4.573
  211   1HA   GLY  31           HA2      GLY  31  -6.936  -5.321  -5.321
  212   2HA   GLY  31           HA1      GLY  31  -7.032  -6.977  -6.977
  213    H    CYS  32           HN       CYS  32  -5.763  -4.013  -4.013
  214    HA   CYS  32           HA       CYS  32  -3.153  -5.418  -5.418
  215   1HB   CYS  32           HB2      CYS  32  -4.779  -3.936  -3.936
  216   2HB   CYS  32           HB1      CYS  32  -3.025  -3.804  -3.804
  217    H    CYS  33           HN       CYS  33  -1.289  -4.162  -4.162
  218    HA   CYS  33           HA       CYS  33  -1.608  -1.917  -1.917
  219   1HB   CYS  33           HB2      CYS  33   0.870  -2.654  -2.654
  220   2HB   CYS  33           HB1      CYS  33   0.805  -1.694  -1.694
  221    H    PHE  34           HN       PHE  34  -2.379   0.055   0.055
  222    HA   PHE  34           HA       PHE  34  -1.931   0.885   0.885
  223   1HB   PHE  34           HB2      PHE  34  -4.161   1.149   1.149
  224   2HB   PHE  34           HB1      PHE  34  -3.390   2.383   2.383
  225    HD1  PHE  34           HD2      PHE  34  -3.866   1.436   1.436
  226    HD2  PHE  34           HD1      PHE  34  -3.360   4.601   4.601
  227    HE1  PHE  34           HE2      PHE  34  -4.218   3.111   3.111
  228    HE2  PHE  34           HE1      PHE  34  -3.711   6.277   6.277
  229    HZ   PHE  34           HZ       PHE  34  -4.141   5.531   5.531
  230    H    ASP  35           HN       ASP  35  -0.509   2.530   2.530
  231    HA   ASP  35           HA       ASP  35   0.652   4.225   4.225
  232   1HB   ASP  35           HB2      ASP  35   2.015   2.055   2.055
  233   2HB   ASP  35           HB1      ASP  35   2.482   2.635   2.635
  234    H    ASP  36           HN       ASP  36   0.156   6.181   6.181
  235    HA   ASP  36           HA       ASP  36   0.751   6.473   6.473
  236   1HB   ASP  36           HB2      ASP  36  -0.704   8.507   8.507
  237   2HB   ASP  36           HB1      ASP  36  -1.555   7.011   7.011
  238    H    THR  37           HN       THR  37   2.991   6.458   6.458
  239    HA   THR  37           HA       THR  37   3.645   9.160   9.160
  240    HB   THR  37           HB       THR  37   5.954   8.103   8.103
  241    HG1  THR  37           HG1      THR  37   4.587   6.132   6.132
  242   1HG2  THR  37          HG21      THR  37   4.324   8.316   8.316
  243   2HG2  THR  37          HG23      THR  37   3.595   6.781   6.781
  244   3HG2  THR  37          HG22      THR  37   5.249   6.820   6.820
  245    H    VAL  38           HN       VAL  38   4.822   6.919   6.919
  246    HA   VAL  38           HA       VAL  38   5.787   9.320   9.320
  247    HB   VAL  38           HB       VAL  38   6.722   6.448   6.448
  248   1HG1  VAL  38          HG11      VAL  38   6.985   7.853   7.853
  249   2HG1  VAL  38          HG13      VAL  38   7.850   9.055   9.055
  250   3HG1  VAL  38          HG12      VAL  38   8.547   7.453   7.453
  251   1HG2  VAL  38          HG22      VAL  38   7.633   8.748   8.748
  252   2HG2  VAL  38          HG21      VAL  38   7.594   7.026   7.026
  253   3HG2  VAL  38          HG23      VAL  38   8.851   7.666   7.666
  254    H    ARG  39           HN       ARG  39   5.213   9.524   9.524
  255    HA   ARG  39           HA       ARG  39   2.859   7.967   7.967
  256   1HB   ARG  39           HB2      ARG  39   2.809   9.566   9.566
  257   2HB   ARG  39           HB1      ARG  39   2.754  10.363  10.363
  258   1HG   ARG  39           HG2      ARG  39   5.275  10.618  10.618
  259   2HG   ARG  39           HG1      ARG  39   5.147  10.074  10.074
  260   1HD   ARG  39           HD2      ARG  39   4.432  12.102  12.102
  261   2HD   ARG  39           HD1      ARG  39   3.202  12.166  12.166
  262    HE   ARG  39           HE       ARG  39   5.831  13.380  13.380
  263   1HH1  ARG  39          HH21      ARG  39   3.175  12.069  12.069
  264   2HH1  ARG  39          HH22      ARG  39   3.542  12.985  12.985
  265   1HH2  ARG  39          HH11      ARG  39   6.292  14.569  14.569
  266   2HH2  ARG  39          HH12      ARG  39   5.298  14.391  14.391
  267    H    GLY  40           HN       GLY  40   2.890   7.519   7.519
  268   1HA   GLY  40           HA2      GLY  40   3.937   6.455   6.455
  269   2HA   GLY  40           HA1      GLY  40   5.479   6.595   6.595
  270    H    VAL  41           HN       VAL  41   5.035   5.322   5.322
  271    HA   VAL  41           HA       VAL  41   4.921   2.542   2.542
  272    HB   VAL  41           HB       VAL  41   5.432   2.124   2.124
  273   1HG1  VAL  41          HG12      VAL  41   7.048   4.112   4.112
  274   2HG1  VAL  41          HG11      VAL  41   7.605   3.531   3.531
  275   3HG1  VAL  41          HG13      VAL  41   7.354   2.392   2.392
  276   1HG2  VAL  41          HG22      VAL  41   5.274   5.151   5.151
  277   2HG2  VAL  41          HG21      VAL  41   4.171   4.019   4.019
  278   3HG2  VAL  41          HG23      VAL  41   5.859   4.096   4.096
  279    HA   PRO  42           HA       PRO  42   0.752   1.735   1.735
  280   1HB   PRO  42           HB2      PRO  42   1.077  -0.818  -0.818
  281   2HB   PRO  42           HB1      PRO  42   0.876  -0.441  -0.441
  282   1HG   PRO  42           HG2      PRO  42   3.186  -1.474  -1.474
  283   2HG   PRO  42           HG1      PRO  42   2.987  -1.074  -1.074
  284   1HD   PRO  42           HD2      PRO  42   4.319   0.466   0.466
  285   2HD   PRO  42           HD1      PRO  42   4.483   0.602   0.602
  286    H    TRP  43           HN       TRP  43  -0.393   2.455   2.455
  287    HA   TRP  43           HA       TRP  43   0.953   2.644   2.644
  288   1HB   TRP  43           HB2      TRP  43  -1.892   3.398   3.398
  289   2HB   TRP  43           HB1      TRP  43  -0.979   3.933   3.933
  290    HD1  TRP  43           HD1      TRP  43   1.769   4.615   4.615
  291    HE1  TRP  43           HE1      TRP  43   1.917   6.686   6.686
  292    HE3  TRP  43           HE3      TRP  43  -3.180   5.279   5.279
  293    HZ2  TRP  43           HZ2      TRP  43   0.170   8.398   8.398
  294    HZ3  TRP  43           HZ3      TRP  43  -3.910   7.136   7.136
  295    HH2  TRP  43           HH2      TRP  43  -2.242   8.694   8.694
  296    H    CYS  44           HN       CYS  44  -1.829   0.839   0.839
  297    HA   CYS  44           HA       CYS  44  -2.261  -0.472  -0.472
  298   1HB   CYS  44           HB2      CYS  44  -4.131   0.229   0.229
  299   2HB   CYS  44           HB1      CYS  44  -3.616  -1.107  -1.107
  300    H    PHE  45           HN       PHE  45  -0.753  -2.048  -2.048
  301    HA   PHE  45           HA       PHE  45  -0.293  -4.111  -4.111
  302   1HB   PHE  45           HB2      PHE  45   2.087  -4.208  -4.208
  303   2HB   PHE  45           HB1      PHE  45   1.664  -2.583  -2.583
  304    HD1  PHE  45           HD2      PHE  45   1.042  -0.874  -0.874
  305    HD2  PHE  45           HD1      PHE  45   3.199  -4.519  -4.519
  306    HE1  PHE  45           HE2      PHE  45   1.917   0.039   0.039
  307    HE2  PHE  45           HE1      PHE  45   4.074  -3.618  -3.618
  308    HZ   PHE  45           HZ       PHE  45   3.437  -1.331  -1.331
  309    H    TYR  46           HN       TYR  46   0.915  -6.083  -6.083
  310    HA   TYR  46           HA       TYR  46  -0.810  -6.776  -6.776
  311   1HB   TYR  46           HB2      TYR  46   1.188  -8.247  -8.247
  312   2HB   TYR  46           HB1      TYR  46   0.602  -8.959  -8.959
  313    HD1  TYR  46           HD2      TYR  46  -1.869  -9.306  -9.306
  314    HD2  TYR  46           HD1      TYR  46  -0.187  -8.156  -8.156
  315    HE1  TYR  46           HE2      TYR  46  -3.956 -10.007 -10.007
  316    HE2  TYR  46           HE1      TYR  46  -2.275  -8.854  -8.854
  317    HH   TYR  46           HH       TYR  46  -4.683  -9.154  -9.154
  318    HA   PRO  47           HA       PRO  47   2.290  -6.233  -6.233
  319   1HB   PRO  47           HB2      PRO  47   1.388  -8.182  -8.182
  320   2HB   PRO  47           HB1      PRO  47   0.693  -6.566  -6.566
  321   1HG   PRO  47           HG2      PRO  47  -0.510  -9.063  -9.063
  322   2HG   PRO  47           HG1      PRO  47  -1.174  -7.440  -7.440
  323   1HD   PRO  47           HD2      PRO  47   0.140  -9.241  -9.241
  324   2HD   PRO  47           HD1      PRO  47  -1.009  -7.915  -7.915
  325    H    ASN  48           HN       ASN  48   4.111  -7.276  -7.276
  326    HA   ASN  48           HA       ASN  48   4.834  -9.944  -9.944
  327   1HB   ASN  48           HB2      ASN  48   6.493  -7.419  -7.419
  328   2HB   ASN  48           HB1      ASN  48   7.231  -9.018  -9.018
  329   1HD2  ASN  48          HD22      ASN  48   5.805  -7.373  -7.373
  330   2HD2  ASN  48          HD21      ASN  48   6.090  -6.503  -6.503
  331    H    THR  49           HN       THR  49   4.145 -10.763 -10.763
  332    HA   THR  49           HA       THR  49   5.603  -9.781  -9.781
  333    HB   THR  49           HB       THR  49   4.253 -11.584 -11.584
  334    HG1  THR  49           HG1      THR  49   2.389 -11.986 -11.986
  335   1HG2  THR  49          HG22      THR  49   3.568  -9.128  -9.128
  336   2HG2  THR  49          HG21      THR  49   2.500  -9.756  -9.756
  337   3HG2  THR  49          HG23      THR  49   2.288 -10.267 -10.267
  338    H    ILE  50           HN       ILE  50   7.563 -10.626 -10.626
  339    HA   ILE  50           HA       ILE  50   8.409 -13.145 -13.145
  340    HB   ILE  50           HB       ILE  50   9.994 -11.210 -11.210
  341   1HG1  ILE  50          HG12      ILE  50   9.927 -11.465 -11.465
  342   2HG1  ILE  50          HG11      ILE  50   9.069 -10.214 -10.214
  343   1HG2  ILE  50          HG23      ILE  50  10.760 -13.517 -13.517
  344   2HG2  ILE  50          HG22      ILE  50  11.918 -12.347 -12.347
  345   3HG2  ILE  50          HG21      ILE  50  11.026 -13.394 -13.394
  346   1HD1  ILE  50          HD13      ILE  50  11.382  -9.716  -9.716
  347   2HD1  ILE  50          HD12      ILE  50  12.042 -10.626 -10.626
  348   3HD1  ILE  50          HD11      ILE  50  11.098  -9.164  -9.164
  349    H    ASP  51           HN       ASP  51   9.007 -14.989 -14.989
  350    HA   ASP  51           HA       ASP  51   8.885 -14.867 -14.867
  351   1HB   ASP  51           HB2      ASP  51   6.490 -15.162 -15.162
  352   2HB   ASP  51           HB1      ASP  51   7.019 -16.772 -16.772
  353    H    VAL  52           HN       VAL  52   9.228 -17.241 -17.241
  354    HA   VAL  52           HA       VAL  52  10.808 -18.830 -18.830
  355    HB   VAL  52           HB       VAL  52  12.571 -19.119 -19.119
  356   1HG1  VAL  52          HG11      VAL  52  11.995 -16.320 -16.320
  357   2HG1  VAL  52          HG13      VAL  52  13.533 -16.806 -16.806
  358   3HG1  VAL  52          HG12      VAL  52  12.983 -17.550 -17.550
  359   1HG2  VAL  52          HG21      VAL  52  10.750 -17.202 -17.202
  360   2HG2  VAL  52          HG23      VAL  52  11.660 -18.568 -18.568
  361   3HG2  VAL  52          HG22      VAL  52  12.489 -17.059 -17.059
  362    HA   PRO  53           HA       PRO  53   8.189 -21.649 -21.649
  363   1HB   PRO  53           HB2      PRO  53   7.021 -22.848 -22.848
  364   2HB   PRO  53           HB1      PRO  53   6.360 -21.442 -21.442
  365   1HG   PRO  53           HG2      PRO  53   7.404 -21.561 -21.561
  366   2HG   PRO  53           HG1      PRO  53   6.748 -20.158 -20.158
  367   1HD   PRO  53           HD2      PRO  53   9.572 -20.943 -20.943
  368   2HD   PRO  53           HD1      PRO  53   8.883 -19.343 -19.343
  369    HA   PRO  54           HA       PRO  54  10.649 -25.324 -25.324
  370   1HB   PRO  54           HB2      PRO  54   9.001 -27.168 -27.168
  371   2HB   PRO  54           HB1      PRO  54  10.078 -26.045 -26.045
  372   1HG   PRO  54           HG2      PRO  54   7.221 -26.085 -26.085
  373   2HG   PRO  54           HG1      PRO  54   8.302 -24.959 -24.959
  374   1HD   PRO  54           HD2      PRO  54   6.841 -24.603 -24.603
  375   2HD   PRO  54           HD1      PRO  54   7.471 -23.378 -23.378
  376    H    GLU  55           HN       GLU  55   7.304 -25.275 -25.275
  377    HA   GLU  55           HA       GLU  55   8.018 -27.325 -27.325
  378   1HB   GLU  55           HB2      GLU  55   5.563 -27.144 -27.144
  379   2HB   GLU  55           HB1      GLU  55   5.502 -27.945 -27.945
  380   1HG   GLU  55           HG2      GLU  55   7.659 -29.179 -29.179
  381   2HG   GLU  55           HG1      GLU  55   7.038 -28.717 -28.717
  382    H    GLU  56           HN       GLU  56   6.112 -27.237 -27.237
  383    HA   GLU  56           HA       GLU  56   5.548 -24.369 -24.369
  384   1HB   GLU  56           HB2      GLU  56   6.326 -26.487 -26.487
  385   2HB   GLU  56           HB1      GLU  56   5.959 -24.797 -24.797
  386   1HG   GLU  56           HG2      GLU  56   7.836 -24.252 -24.252
  387   2HG   GLU  56           HG1      GLU  56   8.322 -25.933 -25.933
  388    H    GLU  57           HN       GLU  57   3.570 -23.960 -23.960
  389    HA   GLU  57           HA       GLU  57   1.795 -26.268 -26.268
  390   1HB   GLU  57           HB2      GLU  57   1.597 -25.063 -25.063
  391   2HB   GLU  57           HB1      GLU  57   0.624 -23.931 -23.931
  392   1HG   GLU  57           HG2      GLU  57  -1.001 -25.508 -25.508
  393   2HG   GLU  57           HG1      GLU  57   0.126 -26.860 -26.860
  394    H    SER  58           HN       SER  58   0.960 -26.001 -26.001
  395    HA   SER  58           HA       SER  58   0.870 -23.277 -23.277
  396   1HB   SER  58           HB2      SER  58   0.623 -26.026 -26.026
  397   2HB   SER  58           HB1      SER  58   0.389 -24.531 -24.531
  398    HG   SER  58           HG       SER  58   2.542 -23.956 -23.956
  399    H    GLU  59           HN       GLU  59  -1.097 -22.466 -22.466
  400    HA   GLU  59           HA       GLU  59  -3.518 -23.619 -23.619
  401   1HB   GLU  59           HB2      GLU  59  -2.934 -20.914 -20.914
  402   2HB   GLU  59           HB1      GLU  59  -4.538 -21.412 -21.412
  403   1HG   GLU  59           HG2      GLU  59  -3.575 -21.854 -21.854
  404   2HG   GLU  59           HG1      GLU  59  -2.041 -21.188 -21.188
  405    H    PHE  60           HN       PHE  60  -5.439 -23.951 -23.951
  406    HA   PHE  60           HA       PHE  60  -4.929 -24.012 -24.012
  407   1HB   PHE  60           HB2      PHE  60  -6.108 -26.221 -26.221
  408   2HB   PHE  60           HB1      PHE  60  -4.571 -26.289 -26.289
  409    HD1  PHE  60           HD1      PHE  60  -8.250 -26.262 -26.262
  410    HD2  PHE  60           HD2      PHE  60  -4.478 -26.656 -26.656
  411    HE1  PHE  60           HE1      PHE  60  -9.418 -27.098 -27.098
  412    HE2  PHE  60           HE2      PHE  60  -5.647 -27.491 -27.491
  413    HZ   PHE  60           HZ       PHE  60  -8.117 -27.712 -27.712

  Start of MODEL    5
    1   1H    GLU   1           HT2      GLU   1  13.548  -7.704  -7.704
    2   2H    GLU   1           HT1      GLU   1  14.799  -8.660  -8.660
    3   3H    GLU   1           HT3      GLU   1  14.250  -7.302  -7.302
    4    HA   GLU   1           HA       GLU   1  13.400  -9.293  -9.293
    5   1HB   GLU   1           HB2      GLU   1  12.624  -9.781  -9.781
    6   2HB   GLU   1           HB1      GLU   1  11.586 -10.415 -10.415
    7   1HG   GLU   1           HG2      GLU   1  13.075 -12.182 -12.182
    8   2HG   GLU   1           HG1      GLU   1  13.874 -11.268 -11.268
    9    H    ALA   2           HN       ALA   2  11.190  -9.296  -9.296
   10    HA   ALA   2           HA       ALA   2   9.262  -7.399  -7.399
   11   1HB   ALA   2           HB1      ALA   2  10.827  -5.894  -5.894
   12   2HB   ALA   2           HB3      ALA   2  10.621  -6.848  -6.848
   13   3HB   ALA   2           HB2      ALA   2   9.258  -5.950  -5.950
   14    H    GLN   3           HN       GLN   3   8.007  -9.408  -9.408
   15    HA   GLN   3           HA       GLN   3   7.462 -10.576 -10.576
   16   1HB   GLN   3           HB2      GLN   3   6.712 -11.290 -11.290
   17   2HB   GLN   3           HB1      GLN   3   5.927 -12.063 -12.063
   18   1HG   GLN   3           HG2      GLN   3   7.970 -12.989 -12.989
   19   2HG   GLN   3           HG1      GLN   3   8.934 -11.934 -11.934
   20   1HE2  GLN   3          HE22      GLN   3   8.177 -13.863 -13.863
   21   2HE2  GLN   3          HE21      GLN   3   8.357 -12.251 -12.251
   22    H    THR   4           HN       THR   4   6.141  -9.157  -9.157
   23    HA   THR   4           HA       THR   4   3.397  -8.914  -8.914
   24    HB   THR   4           HB       THR   4   3.682  -6.274  -6.274
   25    HG1  THR   4           HG1      THR   4   6.038  -6.735  -6.735
   26   1HG2  THR   4          HG21      THR   4   2.922  -7.808  -7.808
   27   2HG2  THR   4          HG23      THR   4   4.471  -7.290  -7.290
   28   3HG2  THR   4          HG22      THR   4   3.253  -6.090  -6.090
   29    H    GLU   5           HN       GLU   5   2.475  -6.939  -6.939
   30    HA   GLU   5           HA       GLU   5   3.114  -8.068  -8.068
   31   1HB   GLU   5           HB2      GLU   5   0.894  -6.399  -6.399
   32   2HB   GLU   5           HB1      GLU   5   1.177  -6.381  -6.381
   33   1HG   GLU   5           HG2      GLU   5   0.632  -8.622  -8.622
   34   2HG   GLU   5           HG1      GLU   5   1.068  -9.024  -9.024
   35    H    THR   6           HN       THR   6   3.718  -6.683  -6.683
   36    HA   THR   6           HA       THR   6   4.476  -3.924  -3.924
   37    HB   THR   6           HB       THR   6   6.578  -5.681  -5.681
   38    HG1  THR   6           HG1      THR   6   7.344  -5.701  -5.701
   39   1HG2  THR   6          HG23      THR   6   6.542  -3.067  -3.067
   40   2HG2  THR   6          HG22      THR   6   6.980  -3.404  -3.404
   41   3HG2  THR   6          HG21      THR   6   8.022  -3.953  -3.953
   42    H    CYS   7           HN       CYS   7   3.919  -2.674  -2.674
   43    HA   CYS   7           HA       CYS   7   3.599  -4.037  -4.037
   44   1HB   CYS   7           HB2      CYS   7   2.478  -1.415  -1.415
   45   2HB   CYS   7           HB1      CYS   7   2.246  -2.015  -2.015
   46    H    THR   8           HN       THR   8   6.254  -3.484  -3.484
   47    HA   THR   8           HA       THR   8   6.891  -1.037  -1.037
   48    HB   THR   8           HB       THR   8   7.744  -0.968  -0.968
   49    HG1  THR   8           HG1      THR   8   9.743  -0.405  -0.405
   50   1HG2  THR   8          HG21      THR   8   7.864  -3.617  -3.617
   51   2HG2  THR   8          HG23      THR   8   9.528  -3.313  -3.313
   52   3HG2  THR   8          HG22      THR   8   8.938  -2.675  -2.675
   53    H    VAL   9           HN       VAL   9   7.295  -1.616  -1.616
   54    HA   VAL   9           HA       VAL   9   9.219  -3.823  -3.823
   55    HB   VAL   9           HB       VAL   9   6.740  -3.339  -3.339
   56   1HG1  VAL   9          HG13      VAL   9   8.939  -5.424  -5.424
   57   2HG1  VAL   9          HG12      VAL   9   7.423  -5.594  -5.594
   58   3HG1  VAL   9          HG11      VAL   9   8.528  -4.275  -4.275
   59   1HG2  VAL   9          HG23      VAL   9   6.390  -4.297  -4.297
   60   2HG2  VAL   9          HG22      VAL   9   5.775  -5.264  -5.264
   61   3HG2  VAL   9          HG21      VAL   9   7.293  -5.705  -5.705
   62    H    ALA  10           HN       ALA  10  10.342  -3.615  -3.615
   63    HA   ALA  10           HA       ALA  10  10.979  -0.840  -0.840
   64   1HB   ALA  10           HB3      ALA  10  12.586  -2.857  -2.857
   65   2HB   ALA  10           HB2      ALA  10  11.902  -3.190  -3.190
   66   3HB   ALA  10           HB1      ALA  10  12.738  -1.666  -1.666
   67    HA   PRO  11           HA       PRO  11   7.513  -0.130  -0.130
   68   1HB   PRO  11           HB2      PRO  11   9.380   1.731   1.731
   69   2HB   PRO  11           HB1      PRO  11   7.809   2.050   2.050
   70   1HG   PRO  11           HG2      PRO  11  10.388   2.537   2.537
   71   2HG   PRO  11           HG1      PRO  11   8.815   2.797   2.797
   72   1HD   PRO  11           HD2      PRO  11  10.720   0.899   0.899
   73   2HD   PRO  11           HD1      PRO  11   9.020   0.927   0.927
   74    H    ARG  12           HN       ARG  12  10.861  -0.836  -0.836
   75    HA   ARG  12           HA       ARG  12  10.380  -1.233  -1.233
   76   1HB   ARG  12           HB2      ARG  12  12.536  -1.887  -1.887
   77   2HB   ARG  12           HB1      ARG  12  12.483  -2.853  -2.853
   78   1HG   ARG  12           HG2      ARG  12  12.178  -0.481  -0.481
   79   2HG   ARG  12           HG1      ARG  12  12.969   0.083   0.083
   80   1HD   ARG  12           HD2      ARG  12  14.964  -0.922  -0.922
   81   2HD   ARG  12           HD1      ARG  12  14.187  -2.277  -2.277
   82    HE   ARG  12           HE       ARG  12  14.015   0.324   0.324
   83   1HH1  ARG  12          HH11      ARG  12  15.579  -2.776  -2.776
   84   2HH1  ARG  12          HH12      ARG  12  16.281  -2.733  -2.733
   85   1HH2  ARG  12          HH21      ARG  12  14.945   0.360   0.360
   86   2HH2  ARG  12          HH22      ARG  12  15.922  -0.965  -0.965
   87    H    GLU  13           HN       GLU  13  11.006  -3.746  -3.746
   88    HA   GLU  13           HA       GLU  13   9.591  -5.690  -5.690
   89   1HB   GLU  13           HB2      GLU  13  11.081  -5.994  -5.994
   90   2HB   GLU  13           HB1      GLU  13  10.391  -7.324  -7.324
   91   1HG   GLU  13           HG2      GLU  13  11.822  -6.151  -6.151
   92   2HG   GLU  13           HG1      GLU  13  12.797  -5.659  -5.659
   93    H    ARG  14           HN       ARG  14   7.873  -3.682  -3.682
   94    HA   ARG  14           HA       ARG  14   6.568  -4.699  -4.699
   95   1HB   ARG  14           HB2      ARG  14   6.371  -2.288  -2.288
   96   2HB   ARG  14           HB1      ARG  14   4.867  -2.814  -2.814
   97   1HG   ARG  14           HG2      ARG  14   6.309  -2.991  -2.991
   98   2HG   ARG  14           HG1      ARG  14   7.432  -1.939  -1.939
   99   1HD   ARG  14           HD2      ARG  14   5.521  -0.358  -0.358
  100   2HD   ARG  14           HD1      ARG  14   4.522  -1.368  -1.368
  101    HE   ARG  14           HE       ARG  14   6.652  -0.853  -0.853
  102   1HH1  ARG  14          HH11      ARG  14   4.641   1.179   1.179
  103   2HH1  ARG  14          HH12      ARG  14   4.829   2.577   2.577
  104   1HH2  ARG  14          HH21      ARG  14   6.884   0.993   0.993
  105   2HH2  ARG  14          HH22      ARG  14   6.092   2.470   2.470
  106    H    GLN  15           HN       GLN  15   4.554  -5.765  -5.765
  107    HA   GLN  15           HA       GLN  15   3.754  -6.958  -6.958
  108   1HB   GLN  15           HB2      GLN  15   3.667  -7.741  -7.741
  109   2HB   GLN  15           HB1      GLN  15   2.095  -7.951  -7.951
  110   1HG   GLN  15           HG2      GLN  15   3.208  -9.994  -9.994
  111   2HG   GLN  15           HG1      GLN  15   3.403  -9.093  -9.093
  112   1HE2  GLN  15          HE22      GLN  15   6.908  -9.192  -9.192
  113   2HE2  GLN  15          HE21      GLN  15   5.520  -9.021  -9.021
  114    H    ASN  16           HN       ASN  16   2.364  -5.665  -5.665
  115    HA   ASN  16           HA       ASN  16   0.696  -3.684  -3.684
  116   1HB   ASN  16           HB2      ASN  16   1.466  -4.328  -4.328
  117   2HB   ASN  16           HB1      ASN  16  -0.193  -4.923  -4.923
  118   1HD2  ASN  16          HD22      ASN  16  -0.117  -1.246  -1.246
  119   2HD2  ASN  16          HD21      ASN  16   0.703  -2.599  -2.599
  120    H    CYS  17           HN       CYS  17  -1.153  -3.937  -3.937
  121    HA   CYS  17           HA       CYS  17  -2.468  -6.554  -6.554
  122   1HB   CYS  17           HB2      CYS  17  -1.951  -4.846  -4.846
  123   2HB   CYS  17           HB1      CYS  17  -3.518  -4.200  -4.200
  124    H    GLY  18           HN       GLY  18  -2.739  -3.563  -3.563
  125   1HA   GLY  18           HA2      GLY  18  -4.918  -4.337  -4.337
  126   2HA   GLY  18           HA1      GLY  18  -5.541  -3.309  -3.309
  127    H    PHE  19           HN       PHE  19  -5.880  -2.156  -2.156
  128    HA   PHE  19           HA       PHE  19  -3.629  -0.768  -0.768
  129   1HB   PHE  19           HB2      PHE  19  -5.420   0.788   0.788
  130   2HB   PHE  19           HB1      PHE  19  -5.513  -0.909  -0.909
  131    HD1  PHE  19           HD2      PHE  19  -7.154  -2.424  -2.424
  132    HD2  PHE  19           HD1      PHE  19  -7.205   1.848   1.848
  133    HE1  PHE  19           HE2      PHE  19  -9.476  -2.542  -2.542
  134    HE2  PHE  19           HE1      PHE  19  -9.535   1.729   1.729
  135    HZ   PHE  19           HZ       PHE  19 -10.667  -0.465  -0.465
  136    HA   PRO  20           HA       PRO  20  -3.183   2.602   2.602
  137   1HB   PRO  20           HB2      PRO  20  -2.569   4.676   4.676
  138   2HB   PRO  20           HB1      PRO  20  -1.433   3.469   3.469
  139   1HG   PRO  20           HG2      PRO  20  -2.398   3.789   3.789
  140   2HG   PRO  20           HG1      PRO  20  -1.238   2.602   2.602
  141   1HD   PRO  20           HD2      PRO  20  -4.072   2.245   2.245
  142   2HD   PRO  20           HD1      PRO  20  -2.820   1.019   1.019
  143    H    GLY  21           HN       GLY  21  -5.386   3.243   3.243
  144   1HA   GLY  21           HA2      GLY  21  -6.505   5.665   5.665
  145   2HA   GLY  21           HA1      GLY  21  -7.343   4.478   4.478
  146    H    VAL  22           HN       VAL  22  -6.565   2.592   2.592
  147    HA   VAL  22           HA       VAL  22  -9.165   2.553   2.553
  148    HB   VAL  22           HB       VAL  22  -8.110   1.142   1.142
  149   1HG1  VAL  22          HG13      VAL  22  -8.825   0.254   0.254
  150   2HG1  VAL  22          HG12      VAL  22  -7.147   0.412   0.412
  151   3HG1  VAL  22          HG11      VAL  22  -7.563  -0.690  -0.690
  152   1HG2  VAL  22          HG23      VAL  22  -5.620   2.074   2.074
  153   2HG2  VAL  22          HG22      VAL  22  -5.960   2.086   2.086
  154   3HG2  VAL  22          HG21      VAL  22  -5.642   0.561   0.561
  155    H    THR  23           HN       THR  23  -9.551   2.888   2.888
  156    HA   THR  23           HA       THR  23  -8.098   5.295   5.295
  157    HB   THR  23           HB       THR  23 -10.259   6.100   6.100
  158    HG1  THR  23           HG1      THR  23 -12.116   4.943   4.943
  159   1HG2  THR  23          HG21      THR  23  -9.397   6.636   6.636
  160   2HG2  THR  23          HG23      THR  23 -10.635   5.512   5.512
  161   3HG2  THR  23          HG22      THR  23 -11.099   6.958   6.958
  162    HA   PRO  24           HA       PRO  24  -7.149   3.582   3.582
  163   1HB   PRO  24           HB2      PRO  24  -9.179   5.229   5.229
  164   2HB   PRO  24           HB1      PRO  24  -7.419   5.247   5.247
  165   1HG   PRO  24           HG2      PRO  24  -9.079   7.021   7.021
  166   2HG   PRO  24           HG1      PRO  24  -7.331   7.092   7.092
  167   1HD   PRO  24           HD2      PRO  24  -8.514   6.550   6.550
  168   2HD   PRO  24           HD1      PRO  24  -6.864   6.060   6.060
  169    H    SER  25           HN       SER  25 -10.624   4.020   4.020
  170    HA   SER  25           HA       SER  25 -11.525   2.057   2.057
  171   1HB   SER  25           HB2      SER  25 -13.640   2.189   2.189
  172   2HB   SER  25           HB1      SER  25 -13.120   3.683   3.683
  173    HG   SER  25           HG       SER  25 -11.855   3.445   3.445
  174    H    GLN  26           HN       GLN  26 -11.051   2.013   2.013
  175    HA   GLN  26           HA       GLN  26 -11.806  -0.707  -0.707
  176   1HB   GLN  26           HB2      GLN  26 -10.264   1.289   1.289
  177   2HB   GLN  26           HB1      GLN  26 -10.280  -0.405  -0.405
  178   1HG   GLN  26           HG2      GLN  26 -12.805  -0.330  -0.330
  179   2HG   GLN  26           HG1      GLN  26 -12.670   1.414   1.414
  180   1HE2  GLN  26          HE22      GLN  26 -12.714   0.103   0.103
  181   2HE2  GLN  26          HE21      GLN  26 -13.387  -0.693  -0.693
  182    H    CYS  27           HN       CYS  27  -8.597   0.851   0.851
  183    HA   CYS  27           HA       CYS  27  -7.052  -1.499  -1.499
  184   1HB   CYS  27           HB2      CYS  27  -6.270   0.953   0.953
  185   2HB   CYS  27           HB1      CYS  27  -6.377   0.773   0.773
  186    H    ALA  28           HN       ALA  28  -8.896  -0.180  -0.180
  187    HA   ALA  28           HA       ALA  28  -7.823  -2.274  -2.274
  188   1HB   ALA  28           HB2      ALA  28  -8.062   0.076   0.076
  189   2HB   ALA  28           HB1      ALA  28  -9.805  -0.059  -0.059
  190   3HB   ALA  28           HB3      ALA  28  -8.991  -1.079  -1.079
  191    H    ASN  29           HN       ASN  29 -10.264  -2.036  -2.036
  192    HA   ASN  29           HA       ASN  29 -12.462  -3.195  -3.195
  193   1HB   ASN  29           HB2      ASN  29 -12.564  -1.967  -1.967
  194   2HB   ASN  29           HB1      ASN  29 -11.899  -3.422  -3.422
  195   1HD2  ASN  29          HD22      ASN  29 -15.795  -3.369  -3.369
  196   2HD2  ASN  29          HD21      ASN  29 -14.765  -2.069  -2.069
  197    H    LYS  30           HN       LYS  30  -9.590  -4.537  -4.537
  198    HA   LYS  30           HA       LYS  30 -10.675  -7.252  -7.252
  199   1HB   LYS  30           HB2      LYS  30  -8.746  -7.955  -7.955
  200   2HB   LYS  30           HB1      LYS  30 -10.101  -7.118  -7.118
  201   1HG   LYS  30           HG2      LYS  30  -7.878  -5.411  -5.411
  202   2HG   LYS  30           HG1      LYS  30  -7.540  -6.391  -6.391
  203   1HD   LYS  30           HD2      LYS  30  -9.761  -5.487  -5.487
  204   2HD   LYS  30           HD1      LYS  30  -9.676  -4.288  -4.288
  205   1HE   LYS  30           HE2      LYS  30  -7.832  -3.232  -3.232
  206   2HE   LYS  30           HE1      LYS  30  -7.245  -4.702  -4.702
  207   1HZ   LYS  30           HZ2      LYS  30  -9.798  -3.844  -3.844
  208   2HZ   LYS  30           HZ1      LYS  30  -8.562  -2.711  -2.711
  209   3HZ   LYS  30           HZ3      LYS  30  -8.408  -4.292  -4.292
  210    H    GLY  31           HN       GLY  31  -7.865  -5.110  -5.110
  211   1HA   GLY  31           HA2      GLY  31  -6.928  -5.441  -5.441
  212   2HA   GLY  31           HA1      GLY  31  -6.826  -7.147  -7.147
  213    H    CYS  32           HN       CYS  32  -5.912  -4.058  -4.058
  214    HA   CYS  32           HA       CYS  32  -3.234  -5.270  -5.270
  215   1HB   CYS  32           HB2      CYS  32  -4.630  -3.250  -3.250
  216   2HB   CYS  32           HB1      CYS  32  -3.120  -4.091  -4.091
  217    H    CYS  33           HN       CYS  33  -1.465  -3.980  -3.980
  218    HA   CYS  33           HA       CYS  33  -1.991  -1.734  -1.734
  219   1HB   CYS  33           HB2      CYS  33   0.648  -2.515  -2.515
  220   2HB   CYS  33           HB1      CYS  33   0.418  -1.517  -1.517
  221    H    PHE  34           HN       PHE  34  -2.406   0.341   0.341
  222    HA   PHE  34           HA       PHE  34  -1.834   1.074   1.074
  223   1HB   PHE  34           HB2      PHE  34  -4.080   1.538   1.538
  224   2HB   PHE  34           HB1      PHE  34  -3.269   2.681   2.681
  225    HD1  PHE  34           HD1      PHE  34  -2.038   4.648   4.648
  226    HD2  PHE  34           HD2      PHE  34  -4.583   2.106   2.106
  227    HE1  PHE  34           HE1      PHE  34  -2.143   6.386   6.386
  228    HE2  PHE  34           HE2      PHE  34  -4.689   3.845   3.845
  229    HZ   PHE  34           HZ       PHE  34  -3.470   5.983   5.983
  230    H    ASP  35           HN       ASP  35  -0.324   2.683   2.683
  231    HA   ASP  35           HA       ASP  35   0.910   4.264   4.264
  232   1HB   ASP  35           HB2      ASP  35   2.161   2.088   2.088
  233   2HB   ASP  35           HB1      ASP  35   2.586   2.422   2.422
  234    H    ASP  36           HN       ASP  36   0.767   6.279   6.279
  235    HA   ASP  36           HA       ASP  36   1.417   6.532   6.532
  236   1HB   ASP  36           HB2      ASP  36   0.119   8.715   8.715
  237   2HB   ASP  36           HB1      ASP  36  -0.843   7.247   7.247
  238    H    THR  37           HN       THR  37   3.734   6.554   6.554
  239    HA   THR  37           HA       THR  37   4.447   9.210   9.210
  240    HB   THR  37           HB       THR  37   6.672   7.915   7.915
  241    HG1  THR  37           HG1      THR  37   5.492   6.065   6.065
  242   1HG2  THR  37          HG21      THR  37   4.053   7.740   7.740
  243   2HG2  THR  37          HG23      THR  37   5.466   6.902   6.902
  244   3HG2  THR  37          HG22      THR  37   5.503   8.651   8.651
  245    H    VAL  38           HN       VAL  38   5.002   6.854   6.854
  246    HA   VAL  38           HA       VAL  38   6.714   8.879   8.879
  247    HB   VAL  38           HB       VAL  38   6.906   5.866   5.866
  248   1HG1  VAL  38          HG11      VAL  38   7.601   7.172   7.172
  249   2HG1  VAL  38          HG13      VAL  38   8.691   8.119   8.119
  250   3HG1  VAL  38          HG12      VAL  38   8.983   6.395   6.395
  251   1HG2  VAL  38          HG23      VAL  38   8.331   7.851   7.851
  252   2HG2  VAL  38          HG22      VAL  38   7.789   6.218   6.218
  253   3HG2  VAL  38          HG21      VAL  38   9.218   6.460   6.460
  254    H    ARG  39           HN       ARG  39   6.469   8.983   8.983
  255    HA   ARG  39           HA       ARG  39   3.775   8.129   8.129
  256   1HB   ARG  39           HB2      ARG  39   5.650  10.322  10.322
  257   2HB   ARG  39           HB1      ARG  39   4.605   9.683   9.683
  258   1HG   ARG  39           HG2      ARG  39   2.649  10.001  10.001
  259   2HG   ARG  39           HG1      ARG  39   3.743  10.836  10.836
  260   1HD   ARG  39           HD2      ARG  39   3.634  11.709  11.709
  261   2HD   ARG  39           HD1      ARG  39   2.347  12.212  12.212
  262    HE   ARG  39           HE       ARG  39   5.116  13.101  13.101
  263   1HH1  ARG  39          HH21      ARG  39   2.119  12.715  12.715
  264   2HH1  ARG  39          HH22      ARG  39   2.481  13.951  13.951
  265   1HH2  ARG  39          HH11      ARG  39   5.569  14.718  14.718
  266   2HH2  ARG  39          HH12      ARG  39   4.426  15.080  15.080
  267    H    GLY  40           HN       GLY  40   3.819   7.711   7.711
  268   1HA   GLY  40           HA2      GLY  40   4.450   6.253   6.253
  269   2HA   GLY  40           HA1      GLY  40   6.109   6.493   6.493
  270    H    VAL  41           HN       VAL  41   4.087   5.421   5.421
  271    HA   VAL  41           HA       VAL  41   4.764   2.588   2.588
  272    HB   VAL  41           HB       VAL  41   5.386   2.384   2.384
  273   1HG1  VAL  41          HG12      VAL  41   7.107   2.684   2.684
  274   2HG1  VAL  41          HG11      VAL  41   6.996   4.432   4.432
  275   3HG1  VAL  41          HG13      VAL  41   7.598   3.422   3.422
  276   1HG2  VAL  41          HG22      VAL  41   4.091   4.557   4.557
  277   2HG2  VAL  41          HG21      VAL  41   5.629   4.293   4.293
  278   3HG2  VAL  41          HG23      VAL  41   5.540   5.400   5.400
  279    HA   PRO  42           HA       PRO  42   0.690   1.846   1.846
  280   1HB   PRO  42           HB2      PRO  42   1.117  -0.697  -0.697
  281   2HB   PRO  42           HB1      PRO  42   0.807  -0.333  -0.333
  282   1HG   PRO  42           HG2      PRO  42   3.200  -1.347  -1.347
  283   2HG   PRO  42           HG1      PRO  42   2.905  -0.919  -0.919
  284   1HD   PRO  42           HD2      PRO  42   4.293   0.629   0.629
  285   2HD   PRO  42           HD1      PRO  42   4.435   0.744   0.744
  286    H    TRP  43           HN       TRP  43  -0.229   2.716   2.716
  287    HA   TRP  43           HA       TRP  43   1.275   2.754   2.754
  288   1HB   TRP  43           HB2      TRP  43  -1.548   3.731   3.731
  289   2HB   TRP  43           HB1      TRP  43  -0.496   4.185   4.185
  290    HD1  TRP  43           HD1      TRP  43   2.176   4.729   4.729
  291    HE1  TRP  43           HE1      TRP  43   2.359   6.780   6.780
  292    HE3  TRP  43           HE3      TRP  43  -2.776   5.639   5.639
  293    HZ2  TRP  43           HZ2      TRP  43   0.634   8.570   8.570
  294    HZ3  TRP  43           HZ3      TRP  43  -3.477   7.522   7.522
  295    HH2  TRP  43           HH2      TRP  43  -1.780   8.986   8.986
  296    H    CYS  44           HN       CYS  44  -1.528   1.069   1.069
  297    HA   CYS  44           HA       CYS  44  -2.147  -0.184  -0.184
  298   1HB   CYS  44           HB2      CYS  44  -3.869   0.557   0.557
  299   2HB   CYS  44           HB1      CYS  44  -3.343  -0.840  -0.840
  300    H    PHE  45           HN       PHE  45  -0.675  -1.797  -1.797
  301    HA   PHE  45           HA       PHE  45  -0.164  -3.889  -3.889
  302   1HB   PHE  45           HB2      PHE  45   2.198  -3.994  -3.994
  303   2HB   PHE  45           HB1      PHE  45   1.801  -2.369  -2.369
  304    HD1  PHE  45           HD1      PHE  45   0.949  -0.754  -0.754
  305    HD2  PHE  45           HD2      PHE  45   3.463  -4.195  -4.195
  306    HE1  PHE  45           HE1      PHE  45   1.777   0.164   0.164
  307    HE2  PHE  45           HE2      PHE  45   4.297  -3.275  -3.275
  308    HZ   PHE  45           HZ       PHE  45   3.451  -1.094  -1.094
  309    H    TYR  46           HN       TYR  46   1.144  -5.782  -5.782
  310    HA   TYR  46           HA       TYR  46  -0.697  -6.570  -6.570
  311   1HB   TYR  46           HB2      TYR  46   1.416  -7.892  -7.892
  312   2HB   TYR  46           HB1      TYR  46   1.039  -8.603  -8.603
  313    HD1  TYR  46           HD1      TYR  46  -1.305  -9.325  -9.325
  314    HD2  TYR  46           HD2      TYR  46  -0.115  -8.032  -8.032
  315    HE1  TYR  46           HE1      TYR  46  -3.346 -10.354 -10.354
  316    HE2  TYR  46           HE2      TYR  46  -2.156  -9.060  -9.060
  317    HH   TYR  46           HH       TYR  46  -4.523 -10.731 -10.731
  318    HA   PRO  47           HA       PRO  47   2.135  -5.852  -5.852
  319   1HB   PRO  47           HB2      PRO  47   1.242  -7.871  -7.871
  320   2HB   PRO  47           HB1      PRO  47   0.434  -6.319  -6.319
  321   1HG   PRO  47           HG2      PRO  47  -0.496  -8.905  -8.905
  322   2HG   PRO  47           HG1      PRO  47  -1.280  -7.343  -7.343
  323   1HD   PRO  47           HD2      PRO  47   0.334  -8.998  -8.998
  324   2HD   PRO  47           HD1      PRO  47  -0.899  -7.770  -7.770
  325    H    ASN  48           HN       ASN  48   3.732  -6.981  -6.981
  326    HA   ASN  48           HA       ASN  48   4.851  -9.455  -9.455
  327   1HB   ASN  48           HB2      ASN  48   6.194  -6.824  -6.824
  328   2HB   ASN  48           HB1      ASN  48   7.119  -8.306  -8.306
  329   1HD2  ASN  48          HD22      ASN  48   7.806  -8.394  -8.394
  330   2HD2  ASN  48          HD21      ASN  48   8.399  -8.497  -8.497
  331    H    THR  49           HN       THR  49   3.647 -10.433 -10.433
  332    HA   THR  49           HA       THR  49   4.289  -9.686  -9.686
  333    HB   THR  49           HB       THR  49   3.133 -11.818 -11.818
  334    HG1  THR  49           HG1      THR  49   2.138 -12.577 -12.577
  335   1HG2  THR  49          HG21      THR  49   2.026  -9.544  -9.544
  336   2HG2  THR  49          HG23      THR  49   1.474 -10.576 -10.576
  337   3HG2  THR  49          HG22      THR  49   1.044 -10.966 -10.966
  338    H    ILE  50           HN       ILE  50   5.699 -10.694 -10.694
  339    HA   ILE  50           HA       ILE  50   7.626 -12.611 -12.611
  340    HB   ILE  50           HB       ILE  50   8.185 -10.534 -10.534
  341   1HG1  ILE  50          HG12      ILE  50   9.206 -10.503 -10.503
  342   2HG1  ILE  50          HG11      ILE  50   7.696  -9.705  -9.705
  343   1HG2  ILE  50          HG21      ILE  50   9.770 -12.681 -12.681
  344   2HG2  ILE  50          HG23      ILE  50  10.590 -11.197 -11.197
  345   3HG2  ILE  50          HG22      ILE  50   9.781 -12.192 -12.192
  346   1HD1  ILE  50          HD12      ILE  50   8.953  -8.451  -8.451
  347   2HD1  ILE  50          HD11      ILE  50  10.444  -9.147  -9.147
  348   3HD1  ILE  50          HD13      ILE  50   9.480  -8.068  -8.068
  349    H    ASP  51           HN       ASP  51   8.255 -14.373 -14.373
  350    HA   ASP  51           HA       ASP  51   7.210 -14.470 -14.470
  351   1HB   ASP  51           HB2      ASP  51   5.481 -15.314 -15.314
  352   2HB   ASP  51           HB1      ASP  51   6.423 -16.793 -16.793
  353    H    VAL  52           HN       VAL  52   7.549 -17.164 -17.164
  354    HA   VAL  52           HA       VAL  52  10.445 -17.406 -17.406
  355    HB   VAL  52           HB       VAL  52  10.084 -19.409 -19.409
  356   1HG1  VAL  52          HG12      VAL  52  10.227 -16.948 -16.948
  357   2HG1  VAL  52          HG11      VAL  52   8.490 -17.085 -17.085
  358   3HG1  VAL  52          HG13      VAL  52   9.606 -18.147 -18.147
  359   1HG2  VAL  52          HG21      VAL  52   7.831 -19.970 -19.970
  360   2HG2  VAL  52          HG23      VAL  52   7.837 -19.895 -19.895
  361   3HG2  VAL  52          HG22      VAL  52   7.172 -18.557 -18.557
  362    HA   PRO  53           HA       PRO  53  10.343 -20.489 -20.489
  363   1HB   PRO  53           HB2      PRO  53  12.819 -21.620 -21.620
  364   2HB   PRO  53           HB1      PRO  53  12.559 -20.084 -20.084
  365   1HG   PRO  53           HG2      PRO  53  13.782 -20.517 -20.517
  366   2HG   PRO  53           HG1      PRO  53  13.521 -18.983 -18.983
  367   1HD   PRO  53           HD2      PRO  53  11.948 -20.201 -20.201
  368   2HD   PRO  53           HD1      PRO  53  12.052 -18.503 -18.503
  369    HA   PRO  54           HA       PRO  54   9.166 -24.179 -24.179
  370   1HB   PRO  54           HB2      PRO  54   7.009 -24.783 -24.783
  371   2HB   PRO  54           HB1      PRO  54   6.939 -23.744 -23.744
  372   1HG   PRO  54           HG2      PRO  54   6.581 -22.998 -22.998
  373   2HG   PRO  54           HG1      PRO  54   6.535 -21.960 -21.960
  374   1HD   PRO  54           HD2      PRO  54   8.732 -22.380 -22.380
  375   2HD   PRO  54           HD1      PRO  54   8.437 -21.015 -21.015
  376    H    GLU  55           HN       GLU  55   8.025 -26.378 -26.378
  377    HA   GLU  55           HA       GLU  55  10.383 -27.404 -27.404
  378   1HB   GLU  55           HB2      GLU  55   8.889 -28.784 -28.784
  379   2HB   GLU  55           HB1      GLU  55   7.634 -28.658 -28.658
  380   1HG   GLU  55           HG2      GLU  55   8.736 -30.051 -30.051
  381   2HG   GLU  55           HG1      GLU  55  10.332 -29.561 -29.561
  382    H    GLU  56           HN       GLU  56  10.711 -27.608 -27.608
  383    HA   GLU  56           HA       GLU  56   8.553 -26.557 -26.557
  384   1HB   GLU  56           HB2      GLU  56  11.529 -26.432 -26.432
  385   2HB   GLU  56           HB1      GLU  56  10.706 -26.571 -26.571
  386   1HG   GLU  56           HG2      GLU  56   9.751 -24.567 -24.567
  387   2HG   GLU  56           HG1      GLU  56  11.134 -24.189 -24.189
  388    H    GLU  57           HN       GLU  57   7.428 -28.138 -28.138
  389    HA   GLU  57           HA       GLU  57   8.845 -30.673 -30.673
  390   1HB   GLU  57           HB2      GLU  57   6.666 -30.585 -30.585
  391   2HB   GLU  57           HB1      GLU  57   5.861 -30.285 -30.285
  392   1HG   GLU  57           HG2      GLU  57   6.981 -32.349 -32.349
  393   2HG   GLU  57           HG1      GLU  57   7.570 -32.681 -32.681
  394    H    SER  58           HN       SER  58   8.405 -31.673 -31.673
  395    HA   SER  58           HA       SER  58   7.391 -29.792 -29.792
  396   1HB   SER  58           HB2      SER  58   9.383 -30.672 -30.672
  397   2HB   SER  58           HB1      SER  58   9.693 -29.399 -29.399
  398    HG   SER  58           HG       SER  58   9.845 -31.846 -31.846
  399    H    GLU  59           HN       GLU  59   5.666 -30.945 -30.945
  400    HA   GLU  59           HA       GLU  59   6.202 -33.741 -33.741
  401   1HB   GLU  59           HB2      GLU  59   3.946 -32.644 -32.644
  402   2HB   GLU  59           HB1      GLU  59   3.645 -34.011 -34.011
  403   1HG   GLU  59           HG2      GLU  59   5.951 -33.987 -33.987
  404   2HG   GLU  59           HG1      GLU  59   4.351 -34.580 -34.580
  405    H    PHE  60           HN       PHE  60   6.229 -33.523 -33.523
  406    HA   PHE  60           HA       PHE  60   4.018 -31.955 -31.955
  407   1HB   PHE  60           HB2      PHE  60   6.566 -31.363 -31.363
  408   2HB   PHE  60           HB1      PHE  60   6.502 -32.703 -32.703
  409    HD1  PHE  60           HD1      PHE  60   4.913 -29.453 -29.453
  410    HD2  PHE  60           HD2      PHE  60   5.456 -32.464 -32.464
  411    HE1  PHE  60           HE1      PHE  60   3.823 -27.979 -27.979
  412    HE2  PHE  60           HE2      PHE  60   4.366 -30.990 -30.990
  413    HZ   PHE  60           HZ       PHE  60   3.548 -28.748 -28.748

  Start of MODEL    6
    1   1H    GLU   1           HT1      GLU   1  16.902  -8.492  -8.492
    2   2H    GLU   1           HT3      GLU   1  18.551  -8.118  -8.118
    3   3H    GLU   1           HT2      GLU   1  17.547  -7.931  -7.931
    4    HA   GLU   1           HA       GLU   1  16.913  -5.935  -5.935
    5   1HB   GLU   1           HB2      GLU   1  19.441  -6.202  -6.202
    6   2HB   GLU   1           HB1      GLU   1  18.749  -5.995  -5.995
    7   1HG   GLU   1           HG2      GLU   1  17.899  -3.850  -3.850
    8   2HG   GLU   1           HG1      GLU   1  18.059  -4.107  -4.107
    9    H    ALA   2           HN       ALA   2  15.196  -7.919  -7.919
   10    HA   ALA   2           HA       ALA   2  13.944  -6.380  -6.380
   11   1HB   ALA   2           HB2      ALA   2  15.740  -8.599  -8.599
   12   2HB   ALA   2           HB1      ALA   2  14.125  -8.754  -8.754
   13   3HB   ALA   2           HB3      ALA   2  15.087  -7.313  -7.313
   14    H    GLN   3           HN       GLN   3  12.511  -6.713  -6.713
   15    HA   GLN   3           HA       GLN   3  10.732  -8.993  -8.993
   16   1HB   GLN   3           HB2      GLN   3  12.083  -8.423  -8.423
   17   2HB   GLN   3           HB1      GLN   3  10.626  -9.406  -9.406
   18   1HG   GLN   3           HG2      GLN   3  12.114 -11.120 -11.120
   19   2HG   GLN   3           HG1      GLN   3  12.166 -10.550 -10.550
   20   1HE2  GLN   3          HE22      GLN   3  15.662 -10.233 -10.233
   21   2HE2  GLN   3          HE21      GLN   3  14.406 -11.031 -11.031
   22    H    THR   4           HN       THR   4   9.128  -7.492  -7.492
   23    HA   THR   4           HA       THR   4   7.558  -6.304  -6.304
   24    HB   THR   4           HB       THR   4   7.961  -3.936  -3.936
   25    HG1  THR   4           HG1      THR   4   9.940  -5.366  -5.366
   26   1HG2  THR   4          HG23      THR   4   8.160  -4.847  -4.847
   27   2HG2  THR   4          HG22      THR   4   9.846  -4.444  -4.444
   28   3HG2  THR   4          HG21      THR   4   8.598  -3.208  -3.208
   29    H    GLU   5           HN       GLU   5   6.164  -4.378  -4.378
   30    HA   GLU   5           HA       GLU   5   5.100  -6.039  -6.039
   31   1HB   GLU   5           HB2      GLU   5   3.740  -3.813  -3.813
   32   2HB   GLU   5           HB1      GLU   5   2.989  -4.861  -4.861
   33   1HG   GLU   5           HG2      GLU   5   3.794  -6.808  -6.808
   34   2HG   GLU   5           HG1      GLU   5   3.942  -5.557  -5.557
   35    H    THR   6           HN       THR   6   5.465  -5.262  -5.262
   36    HA   THR   6           HA       THR   6   5.690  -2.337  -2.337
   37    HB   THR   6           HB       THR   6   7.575  -4.121  -4.121
   38    HG1  THR   6           HG1      THR   6   8.914  -3.207  -3.207
   39   1HG2  THR   6          HG23      THR   6   7.064  -1.455  -1.455
   40   2HG2  THR   6          HG22      THR   6   8.352  -1.490  -1.490
   41   3HG2  THR   6          HG21      THR   6   8.631  -2.157  -2.157
   42    H    CYS   7           HN       CYS   7   4.997  -1.605  -1.605
   43    HA   CYS   7           HA       CYS   7   3.622  -3.685  -3.685
   44   1HB   CYS   7           HB2      CYS   7   3.024  -0.798  -0.798
   45   2HB   CYS   7           HB1      CYS   7   2.415  -1.528  -1.528
   46    H    THR   8           HN       THR   8   6.011  -1.115  -1.115
   47    HA   THR   8           HA       THR   8   6.070  -0.679  -0.679
   48    HB   THR   8           HB       THR   8   7.048   0.949   0.949
   49    HG1  THR   8           HG1      THR   8   8.752   1.312   1.312
   50   1HG2  THR   8          HG21      THR   8   8.699  -1.412  -1.412
   51   2HG2  THR   8          HG23      THR   8   9.275   0.237   0.237
   52   3HG2  THR   8          HG22      THR   8   7.765  -0.291  -0.291
   53    H    VAL   9           HN       VAL   9   7.435  -1.533  -1.533
   54    HA   VAL   9           HA       VAL   9   9.173  -3.796  -3.796
   55    HB   VAL   9           HB       VAL   9   7.149  -3.910  -3.910
   56   1HG1  VAL   9          HG13      VAL   9   9.280  -5.736  -5.736
   57   2HG1  VAL   9          HG12      VAL   9   7.833  -6.434  -6.434
   58   3HG1  VAL   9          HG11      VAL   9   8.868  -5.364  -5.364
   59   1HG2  VAL   9          HG22      VAL   9   6.124  -3.970  -3.970
   60   2HG2  VAL   9          HG21      VAL   9   5.877  -5.445  -5.445
   61   3HG2  VAL   9          HG23      VAL   9   7.104  -5.395  -5.395
   62    H    ALA  10           HN       ALA  10  10.347  -4.480  -4.480
   63    HA   ALA  10           HA       ALA  10  11.870  -2.240  -2.240
   64   1HB   ALA  10           HB1      ALA  10  11.543  -5.042  -5.042
   65   2HB   ALA  10           HB3      ALA  10  12.399  -3.886  -3.886
   66   3HB   ALA  10           HB2      ALA  10  12.986  -4.229  -4.229
   67    HA   PRO  11           HA       PRO  11   8.674  -0.111  -0.111
   68   1HB   PRO  11           HB2      PRO  11  11.008   1.086   1.086
   69   2HB   PRO  11           HB1      PRO  11   9.691   1.869   1.869
   70   1HG   PRO  11           HG2      PRO  11  12.327   1.355   1.355
   71   2HG   PRO  11           HG1      PRO  11  10.982   2.055   2.055
   72   1HD   PRO  11           HD2      PRO  11  12.174  -0.445  -0.445
   73   2HD   PRO  11           HD1      PRO  11  10.643   0.127   0.127
   74    H    ARG  12           HN       ARG  12  11.545  -1.797  -1.797
   75    HA   ARG  12           HA       ARG  12  10.463  -1.877  -1.877
   76   1HB   ARG  12           HB2      ARG  12  12.891  -3.124  -3.124
   77   2HB   ARG  12           HB1      ARG  12  12.470  -3.375  -3.375
   78   1HG   ARG  12           HG2      ARG  12  12.975  -1.208  -1.208
   79   2HG   ARG  12           HG1      ARG  12  12.543  -0.562  -0.562
   80   1HD   ARG  12           HD2      ARG  12  14.621  -0.984  -0.984
   81   2HD   ARG  12           HD1      ARG  12  14.882  -2.406  -2.406
   82    HE   ARG  12           HE       ARG  12  15.509   0.355   0.355
   83   1HH1  ARG  12          HH11      ARG  12  14.949  -2.911  -2.911
   84   2HH1  ARG  12          HH12      ARG  12  15.817  -2.704  -2.704
   85   1HH2  ARG  12          HH21      ARG  12  16.640   0.604   0.604
   86   2HH2  ARG  12          HH22      ARG  12  16.769  -0.724  -0.724
   87    H    GLU  13           HN       GLU  13  10.859  -4.130  -4.130
   88    HA   GLU  13           HA       GLU  13   9.367  -6.166  -6.166
   89   1HB   GLU  13           HB2      GLU  13  11.163  -6.289  -6.289
   90   2HB   GLU  13           HB1      GLU  13  10.078  -7.619  -7.619
   91   1HG   GLU  13           HG2      GLU  13  11.102  -7.819  -7.819
   92   2HG   GLU  13           HG1      GLU  13  12.151  -6.442  -6.442
   93    H    ARG  14           HN       ARG  14   7.743  -4.095  -4.095
   94    HA   ARG  14           HA       ARG  14   6.533  -4.733  -4.733
   95   1HB   ARG  14           HB2      ARG  14   6.230  -2.546  -2.546
   96   2HB   ARG  14           HB1      ARG  14   4.929  -2.836  -2.836
   97   1HG   ARG  14           HG2      ARG  14   6.791  -2.790  -2.790
   98   2HG   ARG  14           HG1      ARG  14   7.783  -2.036  -2.036
   99   1HD   ARG  14           HD2      ARG  14   6.331  -0.170  -0.170
  100   2HD   ARG  14           HD1      ARG  14   5.035  -0.992  -0.992
  101    HE   ARG  14           HE       ARG  14   7.384  -0.728  -0.728
  102   1HH1  ARG  14          HH11      ARG  14   4.620   0.974   0.974
  103   2HH1  ARG  14          HH12      ARG  14   4.557   2.113   2.113
  104   1HH2  ARG  14          HH21      ARG  14   7.287   0.776   0.776
  105   2HH2  ARG  14          HH22      ARG  14   6.062   2.000   2.000
  106    H    GLN  15           HN       GLN  15   4.596  -5.848  -5.848
  107    HA   GLN  15           HA       GLN  15   3.583  -7.239  -7.239
  108   1HB   GLN  15           HB2      GLN  15   3.736  -7.951  -7.951
  109   2HB   GLN  15           HB1      GLN  15   2.100  -7.290  -7.290
  110   1HG   GLN  15           HG2      GLN  15   1.687  -9.500  -9.500
  111   2HG   GLN  15           HG1      GLN  15   1.842  -8.738  -8.738
  112   1HE2  GLN  15          HE22      GLN  15   5.056 -10.217 -10.217
  113   2HE2  GLN  15          HE21      GLN  15   4.109  -8.849  -8.849
  114    H    ASN  16           HN       ASN  16   2.425  -5.929  -5.929
  115    HA   ASN  16           HA       ASN  16   0.889  -3.685  -3.685
  116   1HB   ASN  16           HB2      ASN  16   1.760  -4.380  -4.380
  117   2HB   ASN  16           HB1      ASN  16   0.276  -5.329  -5.329
  118   1HD2  ASN  16          HD22      ASN  16   0.056  -1.445  -1.445
  119   2HD2  ASN  16          HD21      ASN  16   1.490  -2.353  -2.353
  120    H    CYS  17           HN       CYS  17  -0.933  -3.728  -3.728
  121    HA   CYS  17           HA       CYS  17  -2.571  -6.169  -6.169
  122   1HB   CYS  17           HB2      CYS  17  -1.902  -4.997  -4.997
  123   2HB   CYS  17           HB1      CYS  17  -2.866  -3.614  -3.614
  124    H    GLY  18           HN       GLY  18  -2.460  -3.200  -3.200
  125   1HA   GLY  18           HA2      GLY  18  -4.659  -3.588  -3.588
  126   2HA   GLY  18           HA1      GLY  18  -5.296  -2.716  -2.716
  127    H    PHE  19           HN       PHE  19  -5.497  -1.346  -1.346
  128    HA   PHE  19           HA       PHE  19  -3.189   0.167   0.167
  129   1HB   PHE  19           HB2      PHE  19  -4.925   1.775   1.775
  130   2HB   PHE  19           HB1      PHE  19  -4.936   0.127   0.127
  131    HD1  PHE  19           HD1      PHE  19  -6.646  -1.514  -1.514
  132    HD2  PHE  19           HD2      PHE  19  -6.823   2.685   2.685
  133    HE1  PHE  19           HE1      PHE  19  -9.030  -1.752  -1.752
  134    HE2  PHE  19           HE2      PHE  19  -9.212   2.445   2.445
  135    HZ   PHE  19           HZ       PHE  19 -10.312   0.227   0.227
  136    HA   PRO  20           HA       PRO  20  -3.111   3.258   3.258
  137   1HB   PRO  20           HB2      PRO  20  -2.378   5.496   5.496
  138   2HB   PRO  20           HB1      PRO  20  -1.279   4.251   4.251
  139   1HG   PRO  20           HG2      PRO  20  -1.988   4.810   4.810
  140   2HG   PRO  20           HG1      PRO  20  -0.870   3.585   3.585
  141   1HD   PRO  20           HD2      PRO  20  -3.624   3.259   3.259
  142   2HD   PRO  20           HD1      PRO  20  -2.374   2.028   2.028
  143    H    GLY  21           HN       GLY  21  -5.052   4.118   4.118
  144   1HA   GLY  21           HA2      GLY  21  -6.309   6.431   6.431
  145   2HA   GLY  21           HA1      GLY  21  -7.025   5.319   5.319
  146    H    VAL  22           HN       VAL  22  -6.458   3.233   3.233
  147    HA   VAL  22           HA       VAL  22  -9.142   3.058   3.058
  148    HB   VAL  22           HB       VAL  22  -8.209   1.548   1.548
  149   1HG1  VAL  22          HG12      VAL  22  -8.705   0.809   0.809
  150   2HG1  VAL  22          HG11      VAL  22  -6.993   1.042   1.042
  151   3HG1  VAL  22          HG13      VAL  22  -7.489  -0.161  -0.161
  152   1HG2  VAL  22          HG21      VAL  22  -5.623   2.591   2.591
  153   2HG2  VAL  22          HG23      VAL  22  -6.115   2.554   2.554
  154   3HG2  VAL  22          HG22      VAL  22  -5.705   1.054   1.054
  155    H    THR  23           HN       THR  23  -9.271   2.896   2.896
  156    HA   THR  23           HA       THR  23  -8.162   5.371   5.371
  157    HB   THR  23           HB       THR  23 -10.652   5.678   5.678
  158    HG1  THR  23           HG1      THR  23 -12.147   4.962   4.962
  159   1HG2  THR  23          HG22      THR  23  -9.554   6.565   6.565
  160   2HG2  THR  23          HG21      THR  23 -11.035   7.223   7.223
  161   3HG2  THR  23          HG23      THR  23  -9.497   7.440   7.440
  162    HA   PRO  24           HA       PRO  24  -7.516   3.422   3.422
  163   1HB   PRO  24           HB2      PRO  24  -9.688   4.953   4.953
  164   2HB   PRO  24           HB1      PRO  24  -7.950   4.979   4.979
  165   1HG   PRO  24           HG2      PRO  24  -9.499   6.826   6.826
  166   2HG   PRO  24           HG1      PRO  24  -7.781   6.901   6.901
  167   1HD   PRO  24           HD2      PRO  24  -8.738   6.500   6.500
  168   2HD   PRO  24           HD1      PRO  24  -7.128   5.997   5.997
  169    H    SER  25           HN       SER  25 -10.887   3.773   3.773
  170    HA   SER  25           HA       SER  25 -11.922   1.729   1.729
  171   1HB   SER  25           HB2      SER  25 -13.943   1.904   1.904
  172   2HB   SER  25           HB1      SER  25 -13.382   3.485   3.485
  173    HG   SER  25           HG       SER  25 -13.879   2.934   2.934
  174    H    GLN  26           HN       GLN  26 -11.159   1.838   1.838
  175    HA   GLN  26           HA       GLN  26 -11.767  -0.876  -0.876
  176   1HB   GLN  26           HB2      GLN  26 -10.047   1.191   1.191
  177   2HB   GLN  26           HB1      GLN  26 -10.016  -0.480  -0.480
  178   1HG   GLN  26           HG2      GLN  26 -12.589  -0.324  -0.324
  179   2HG   GLN  26           HG1      GLN  26 -12.359   1.419   1.419
  180   1HE2  GLN  26          HE22      GLN  26 -11.886   1.645   1.645
  181   2HE2  GLN  26          HE21      GLN  26 -12.566   2.301   2.301
  182    H    CYS  27           HN       CYS  27  -8.629   0.703   0.703
  183    HA   CYS  27           HA       CYS  27  -7.112  -1.700  -1.700
  184   1HB   CYS  27           HB2      CYS  27  -6.341   0.800   0.800
  185   2HB   CYS  27           HB1      CYS  27  -6.449   0.607   0.607
  186    H    ALA  28           HN       ALA  28  -9.188  -0.214  -0.214
  187    HA   ALA  28           HA       ALA  28  -8.223  -2.004  -2.004
  188   1HB   ALA  28           HB3      ALA  28 -10.481   0.016   0.016
  189   2HB   ALA  28           HB2      ALA  28  -9.946  -0.869  -0.869
  190   3HB   ALA  28           HB1      ALA  28  -8.863   0.283   0.283
  191    H    ASN  29           HN       ASN  29 -10.337  -2.290  -2.290
  192    HA   ASN  29           HA       ASN  29 -12.450  -3.769  -3.769
  193   1HB   ASN  29           HB2      ASN  29 -12.552  -2.548  -2.548
  194   2HB   ASN  29           HB1      ASN  29 -11.692  -3.942  -3.942
  195   1HD2  ASN  29          HD22      ASN  29 -15.620  -4.240  -4.240
  196   2HD2  ASN  29          HD21      ASN  29 -14.753  -2.785  -2.785
  197    H    LYS  30           HN       LYS  30  -9.312  -4.556  -4.556
  198    HA   LYS  30           HA       LYS  30  -9.892  -7.435  -7.435
  199   1HB   LYS  30           HB2      LYS  30  -7.829  -5.891  -5.891
  200   2HB   LYS  30           HB1      LYS  30  -7.596  -7.599  -7.599
  201   1HG   LYS  30           HG2      LYS  30 -10.222  -6.728  -6.728
  202   2HG   LYS  30           HG1      LYS  30  -8.832  -6.862  -6.862
  203   1HD   LYS  30           HD2      LYS  30  -8.503  -9.180  -9.180
  204   2HD   LYS  30           HD1      LYS  30  -9.717  -9.075  -9.075
  205   1HE   LYS  30           HE2      LYS  30 -11.018  -9.990  -9.990
  206   2HE   LYS  30           HE1      LYS  30 -11.251  -8.280  -8.280
  207   1HZ   LYS  30           HZ3      LYS  30  -8.930  -9.549  -9.549
  208   2HZ   LYS  30           HZ2      LYS  30 -10.438 -10.043 -10.043
  209   3HZ   LYS  30           HZ1      LYS  30  -9.992  -8.405  -8.405
  210    H    GLY  31           HN       GLY  31  -7.596  -4.859  -4.859
  211   1HA   GLY  31           HA2      GLY  31  -6.885  -4.925  -4.925
  212   2HA   GLY  31           HA1      GLY  31  -6.654  -6.661  -6.661
  213    H    CYS  32           HN       CYS  32  -5.770  -4.077  -4.077
  214    HA   CYS  32           HA       CYS  32  -2.988  -5.068  -5.068
  215   1HB   CYS  32           HB2      CYS  32  -4.569  -3.571  -3.571
  216   2HB   CYS  32           HB1      CYS  32  -2.809  -3.662  -3.662
  217    H    CYS  33           HN       CYS  33  -1.299  -3.678  -3.678
  218    HA   CYS  33           HA       CYS  33  -1.941  -1.402  -1.402
  219   1HB   CYS  33           HB2      CYS  33   0.686  -2.288  -2.288
  220   2HB   CYS  33           HB1      CYS  33   0.528  -1.010  -1.010
  221    H    PHE  34           HN       PHE  34  -2.651   0.532   0.532
  222    HA   PHE  34           HA       PHE  34  -1.973   1.307   1.307
  223   1HB   PHE  34           HB2      PHE  34  -4.326   1.496   1.496
  224   2HB   PHE  34           HB1      PHE  34  -3.745   2.730   2.730
  225    HD1  PHE  34           HD2      PHE  34  -2.687   4.834   4.834
  226    HD2  PHE  34           HD1      PHE  34  -4.753   2.003   2.003
  227    HE1  PHE  34           HE2      PHE  34  -2.888   6.545   6.545
  228    HE2  PHE  34           HE1      PHE  34  -4.953   3.713   3.713
  229    HZ   PHE  34           HZ       PHE  34  -4.019   5.984   5.984
  230    H    ASP  35           HN       ASP  35  -0.209   2.601   2.601
  231    HA   ASP  35           HA       ASP  35   0.506   4.536   4.536
  232   1HB   ASP  35           HB2      ASP  35   1.986   2.486   2.486
  233   2HB   ASP  35           HB1      ASP  35   2.515   2.909   2.909
  234    H    ASP  36           HN       ASP  36   0.402   6.553   6.553
  235    HA   ASP  36           HA       ASP  36   0.994   6.800   6.800
  236   1HB   ASP  36           HB2      ASP  36  -0.329   8.926   8.926
  237   2HB   ASP  36           HB1      ASP  36  -1.278   7.486   7.486
  238    H    THR  37           HN       THR  37   3.321   6.696   6.696
  239    HA   THR  37           HA       THR  37   4.091   9.457   9.457
  240    HB   THR  37           HB       THR  37   6.129   8.323   8.323
  241    HG1  THR  37           HG1      THR  37   5.918   6.075   6.075
  242   1HG2  THR  37          HG22      THR  37   4.160   8.996   8.996
  243   2HG2  THR  37          HG21      THR  37   3.457   7.401   7.401
  244   3HG2  THR  37          HG23      THR  37   4.958   7.558   7.558
  245    H    VAL  38           HN       VAL  38   5.246   6.549   6.549
  246    HA   VAL  38           HA       VAL  38   7.010   8.317   8.317
  247    HB   VAL  38           HB       VAL  38   6.857   5.288   5.288
  248   1HG1  VAL  38          HG11      VAL  38   8.650   7.314   7.314
  249   2HG1  VAL  38          HG13      VAL  38   9.286   5.725   5.725
  250   3HG1  VAL  38          HG12      VAL  38   7.929   5.857   5.857
  251   1HG2  VAL  38          HG22      VAL  38   8.752   7.194   7.194
  252   2HG2  VAL  38          HG21      VAL  38   7.514   6.209   6.209
  253   3HG2  VAL  38          HG23      VAL  38   8.888   5.435   5.435
  254    H    ARG  39           HN       ARG  39   6.567   8.763   8.763
  255    HA   ARG  39           HA       ARG  39   4.024   7.819   7.819
  256   1HB   ARG  39           HB2      ARG  39   5.254  10.197  10.197
  257   2HB   ARG  39           HB1      ARG  39   5.910   9.437   9.437
  258   1HG   ARG  39           HG2      ARG  39   3.956  10.310  10.310
  259   2HG   ARG  39           HG1      ARG  39   3.373   8.730   8.730
  260   1HD   ARG  39           HD2      ARG  39   2.684   9.750   9.750
  261   2HD   ARG  39           HD1      ARG  39   3.154  11.328  11.328
  262    HE   ARG  39           HE       ARG  39   0.745   9.894   9.894
  263   1HH1  ARG  39          HH21      ARG  39   3.171  12.069  12.069
  264   2HH1  ARG  39          HH22      ARG  39   2.113  12.785  12.785
  265   1HH2  ARG  39          HH11      ARG  39  -0.621  10.844  10.844
  266   2HH2  ARG  39          HH12      ARG  39  -0.023  12.093  12.093
  267    H    GLY  40           HN       GLY  40   4.151   7.265   7.265
  268   1HA   GLY  40           HA2      GLY  40   5.047   5.948   5.948
  269   2HA   GLY  40           HA1      GLY  40   6.530   5.786   5.786
  270    H    VAL  41           HN       VAL  41   5.649   4.707   4.707
  271    HA   VAL  41           HA       VAL  41   5.025   1.988   1.988
  272    HB   VAL  41           HB       VAL  41   5.280   1.519   1.519
  273   1HG1  VAL  41          HG13      VAL  41   7.217   1.697   1.697
  274   2HG1  VAL  41          HG12      VAL  41   7.527   3.288   3.288
  275   3HG1  VAL  41          HG11      VAL  41   7.637   1.846   1.846
  276   1HG2  VAL  41          HG21      VAL  41   4.397   3.770   3.770
  277   2HG2  VAL  41          HG23      VAL  41   5.903   3.308   3.308
  278   3HG2  VAL  41          HG22      VAL  41   5.925   4.477   4.477
  279    HA   PRO  42           HA       PRO  42   0.708   2.096   2.096
  280   1HB   PRO  42           HB2      PRO  42   0.432  -0.508  -0.508
  281   2HB   PRO  42           HB1      PRO  42   0.425  -0.034  -0.034
  282   1HG   PRO  42           HG2      PRO  42   2.374  -1.585  -1.585
  283   2HG   PRO  42           HG1      PRO  42   2.391  -1.063  -1.063
  284   1HD   PRO  42           HD2      PRO  42   3.825   0.076   0.076
  285   2HD   PRO  42           HD1      PRO  42   4.186   0.217   0.217
  286    H    TRP  43           HN       TRP  43  -0.283   3.046   3.046
  287    HA   TRP  43           HA       TRP  43   0.893   2.993   2.993
  288   1HB   TRP  43           HB2      TRP  43  -1.926   3.800   3.800
  289   2HB   TRP  43           HB1      TRP  43  -1.066   4.260   4.260
  290    HD1  TRP  43           HD1      TRP  43   1.762   4.900   4.900
  291    HE1  TRP  43           HE1      TRP  43   1.985   7.065   7.065
  292    HE3  TRP  43           HE3      TRP  43  -3.165   5.855   5.855
  293    HZ2  TRP  43           HZ2      TRP  43   0.299   8.951   8.951
  294    HZ3  TRP  43           HZ3      TRP  43  -3.826   7.841   7.841
  295    HH2  TRP  43           HH2      TRP  43  -2.102   9.390   9.390
  296    H    CYS  44           HN       CYS  44  -1.812   1.200   1.200
  297    HA   CYS  44           HA       CYS  44  -2.361  -0.166  -0.166
  298   1HB   CYS  44           HB2      CYS  44  -4.140   0.495   0.495
  299   2HB   CYS  44           HB1      CYS  44  -3.522  -0.843  -0.843
  300    H    PHE  45           HN       PHE  45  -0.861  -1.707  -1.707
  301    HA   PHE  45           HA       PHE  45  -0.297  -3.812  -3.812
  302   1HB   PHE  45           HB2      PHE  45   2.100  -3.639  -3.639
  303   2HB   PHE  45           HB1      PHE  45   1.486  -2.056  -2.056
  304    HD1  PHE  45           HD1      PHE  45   0.712  -0.663  -0.663
  305    HD2  PHE  45           HD2      PHE  45   3.865  -3.551  -3.551
  306    HE1  PHE  45           HE1      PHE  45   1.851   0.315   0.315
  307    HE2  PHE  45           HE2      PHE  45   5.006  -2.566  -2.566
  308    HZ   PHE  45           HZ       PHE  45   3.998  -0.636  -0.636
  309    H    TYR  46           HN       TYR  46   1.275  -5.505  -5.505
  310    HA   TYR  46           HA       TYR  46  -0.182  -6.165  -6.165
  311   1HB   TYR  46           HB2      TYR  46   1.837  -7.546  -7.546
  312   2HB   TYR  46           HB1      TYR  46   1.535  -8.150  -8.150
  313    HD1  TYR  46           HD1      TYR  46   0.037  -7.519  -7.519
  314    HD2  TYR  46           HD2      TYR  46  -0.593  -9.141  -9.141
  315    HE1  TYR  46           HE1      TYR  46  -2.043  -8.617  -8.617
  316    HE2  TYR  46           HE2      TYR  46  -2.673 -10.239 -10.239
  317    HH   TYR  46           HH       TYR  46  -3.772  -9.889  -9.889
  318    HA   PRO  47           HA       PRO  47   3.055  -4.969  -4.969
  319   1HB   PRO  47           HB2      PRO  47   2.506  -6.789  -6.789
  320   2HB   PRO  47           HB1      PRO  47   1.547  -5.343  -5.343
  321   1HG   PRO  47           HG2      PRO  47   0.771  -8.072  -8.072
  322   2HG   PRO  47           HG1      PRO  47  -0.179  -6.621  -6.621
  323   1HD   PRO  47           HD2      PRO  47   1.368  -8.357  -8.357
  324   2HD   PRO  47           HD1      PRO  47  -0.022  -7.302  -7.302
  325    H    ASN  48           HN       ASN  48   4.498  -6.315  -6.315
  326    HA   ASN  48           HA       ASN  48   5.664  -8.769  -8.769
  327   1HB   ASN  48           HB2      ASN  48   6.831  -6.199  -6.199
  328   2HB   ASN  48           HB1      ASN  48   7.978  -7.330  -7.330
  329   1HD2  ASN  48          HD22      ASN  48   7.633  -9.749  -9.749
  330   2HD2  ASN  48          HD21      ASN  48   8.066  -9.551  -9.551
  331    H    THR  49           HN       THR  49   4.999  -9.006  -9.006
  332    HA   THR  49           HA       THR  49   6.678  -7.526  -7.526
  333    HB   THR  49           HB       THR  49   5.164  -8.385  -8.385
  334    HG1  THR  49           HG1      THR  49   4.838 -10.317 -10.317
  335   1HG2  THR  49          HG21      THR  49   3.881  -7.304  -7.304
  336   2HG2  THR  49          HG23      THR  49   2.937  -7.607  -7.607
  337   3HG2  THR  49          HG22      THR  49   4.266  -6.448  -6.448
  338    H    ILE  50           HN       ILE  50   8.283  -8.516  -8.516
  339    HA   ILE  50           HA       ILE  50   8.985 -11.260 -11.260
  340    HB   ILE  50           HB       ILE  50  10.492  -9.416  -9.416
  341   1HG1  ILE  50          HG12      ILE  50  10.971  -9.731  -9.731
  342   2HG1  ILE  50          HG11      ILE  50  10.027  -8.402  -8.402
  343   1HG2  ILE  50          HG22      ILE  50  11.199 -11.862 -11.862
  344   2HG2  ILE  50          HG21      ILE  50  12.417 -10.814 -10.814
  345   3HG2  ILE  50          HG23      ILE  50  11.276 -11.682 -11.682
  346   1HD1  ILE  50          HD13      ILE  50  12.163  -8.170  -8.170
  347   2HD1  ILE  50          HD12      ILE  50  12.958  -8.940  -8.940
  348   3HD1  ILE  50          HD11      ILE  50  12.110  -7.408  -7.408
  349    H    ASP  51           HN       ASP  51   9.770 -12.700 -12.700
  350    HA   ASP  51           HA       ASP  51   7.548 -12.835 -12.835
  351   1HB   ASP  51           HB2      ASP  51  10.057 -14.508 -14.508
  352   2HB   ASP  51           HB1      ASP  51   8.757 -14.862 -14.862
  353    H    VAL  52           HN       VAL  52   8.209 -13.378 -13.378
  354    HA   VAL  52           HA       VAL  52  10.177 -11.322 -11.322
  355    HB   VAL  52           HB       VAL  52   8.731 -11.018 -11.018
  356   1HG1  VAL  52          HG13      VAL  52   8.539  -9.719  -9.719
  357   2HG1  VAL  52          HG12      VAL  52   7.031 -10.612 -10.612
  358   3HG1  VAL  52          HG11      VAL  52   7.251  -9.541  -9.541
  359   1HG2  VAL  52          HG23      VAL  52   7.665 -13.316 -13.316
  360   2HG2  VAL  52          HG22      VAL  52   6.538 -12.002 -12.002
  361   3HG2  VAL  52          HG21      VAL  52   6.694 -12.639 -12.639
  362    HA   PRO  53           HA       PRO  53  12.671 -14.036 -14.036
  363   1HB   PRO  53           HB2      PRO  53  11.856 -12.951 -12.951
  364   2HB   PRO  53           HB1      PRO  53  13.401 -12.780 -12.780
  365   1HG   PRO  53           HG2      PRO  53  11.178 -10.913 -10.913
  366   2HG   PRO  53           HG1      PRO  53  12.838 -10.642 -10.642
  367   1HD   PRO  53           HD2      PRO  53  10.685 -10.640 -10.640
  368   2HD   PRO  53           HD1      PRO  53  12.322 -11.097 -11.097
  369    HA   PRO  54           HA       PRO  54   9.194 -15.569 -15.569
  370   1HB   PRO  54           HB2      PRO  54   6.897 -14.857 -14.857
  371   2HB   PRO  54           HB1      PRO  54   7.107 -14.664 -14.664
  372   1HG   PRO  54           HG2      PRO  54   7.405 -12.691 -12.691
  373   2HG   PRO  54           HG1      PRO  54   7.612 -12.502 -12.502
  374   1HD   PRO  54           HD2      PRO  54   9.653 -12.308 -12.308
  375   2HD   PRO  54           HD1      PRO  54   9.886 -12.650 -12.650
  376    H    GLU  55           HN       GLU  55   9.053 -17.777 -17.777
  377    HA   GLU  55           HA       GLU  55   9.180 -18.909 -18.909
  378   1HB   GLU  55           HB2      GLU  55  10.205 -19.822 -19.822
  379   2HB   GLU  55           HB1      GLU  55   8.591 -20.466 -20.466
  380   1HG   GLU  55           HG2      GLU  55   9.439 -22.251 -22.251
  381   2HG   GLU  55           HG1      GLU  55   8.894 -21.286 -21.286
  382    H    GLU  56           HN       GLU  56   7.494 -19.757 -19.757
  383    HA   GLU  56           HA       GLU  56   4.829 -19.818 -19.818
  384   1HB   GLU  56           HB2      GLU  56   3.900 -19.212 -19.212
  385   2HB   GLU  56           HB1      GLU  56   4.917 -17.947 -17.947
  386   1HG   GLU  56           HG2      GLU  56   6.757 -18.520 -18.520
  387   2HG   GLU  56           HG1      GLU  56   5.995 -20.033 -20.033
  388    H    GLU  57           HN       GLU  57   3.451 -21.574 -21.574
  389    HA   GLU  57           HA       GLU  57   4.908 -23.813 -23.813
  390   1HB   GLU  57           HB2      GLU  57   2.632 -23.607 -23.607
  391   2HB   GLU  57           HB1      GLU  57   2.796 -25.058 -25.058
  392   1HG   GLU  57           HG2      GLU  57   4.913 -25.583 -25.583
  393   2HG   GLU  57           HG1      GLU  57   5.139 -23.954 -23.954
  394    H    SER  58           HN       SER  58   4.120 -24.794 -24.794
  395    HA   SER  58           HA       SER  58   2.305 -23.260 -23.260
  396   1HB   SER  58           HB2      SER  58   3.219 -26.103 -26.103
  397   2HB   SER  58           HB1      SER  58   2.696 -24.919 -24.919
  398    HG   SER  58           HG       SER  58   5.116 -25.356 -25.356
  399    H    GLU  59           HN       GLU  59   0.098 -23.358 -23.358
  400    HA   GLU  59           HA       GLU  59  -1.182 -25.931 -25.931
  401   1HB   GLU  59           HB2      GLU  59  -0.815 -24.341 -24.341
  402   2HB   GLU  59           HB1      GLU  59  -2.223 -23.514 -23.514
  403   1HG   GLU  59           HG2      GLU  59  -3.356 -25.795 -25.795
  404   2HG   GLU  59           HG1      GLU  59  -2.017 -26.404 -26.404
  405    H    PHE  60           HN       PHE  60  -2.619 -26.214 -26.214
  406    HA   PHE  60           HA       PHE  60  -4.307 -23.930 -23.930
  407   1HB   PHE  60           HB2      PHE  60  -2.242 -25.224 -25.224
  408   2HB   PHE  60           HB1      PHE  60  -3.822 -25.118 -25.118
  409    HD1  PHE  60           HD1      PHE  60  -4.980 -22.868 -22.868
  410    HD2  PHE  60           HD2      PHE  60  -0.873 -23.297 -23.297
  411    HE1  PHE  60           HE1      PHE  60  -4.595 -20.464 -20.464
  412    HE2  PHE  60           HE2      PHE  60  -0.488 -20.893 -20.893
  413    HZ   PHE  60           HZ       PHE  60  -2.349 -19.475 -19.475

  Start of MODEL    7
    1   1H    GLU   1           HT2      GLU   1   6.150 -19.320 -19.320
    2   2H    GLU   1           HT1      GLU   1   6.933 -20.749 -20.749
    3   3H    GLU   1           HT3      GLU   1   6.392 -19.648 -19.648
    4    HA   GLU   1           HA       GLU   1   8.716 -19.406 -19.406
    5   1HB   GLU   1           HB2      GLU   1   8.009 -19.466 -19.466
    6   2HB   GLU   1           HB1      GLU   1   9.408 -18.514 -18.514
    7   1HG   GLU   1           HG2      GLU   1  10.507 -20.408 -20.408
    8   2HG   GLU   1           HG1      GLU   1   9.031 -21.372 -21.372
    9    H    ALA   2           HN       ALA   2   9.809 -17.144 -17.144
   10    HA   ALA   2           HA       ALA   2   8.024 -15.082 -15.082
   11   1HB   ALA   2           HB2      ALA   2  10.935 -15.274 -15.274
   12   2HB   ALA   2           HB1      ALA   2  10.186 -13.679 -13.679
   13   3HB   ALA   2           HB3      ALA   2  10.174 -14.734 -14.734
   14    H    GLN   3           HN       GLN   3   6.527 -14.306 -14.306
   15    HA   GLN   3           HA       GLN   3   7.555 -13.267 -13.267
   16   1HB   GLN   3           HB2      GLN   3   5.378 -15.336 -15.336
   17   2HB   GLN   3           HB1      GLN   3   5.425 -14.261 -14.261
   18   1HG   GLN   3           HG2      GLN   3   7.576 -15.072 -15.072
   19   2HG   GLN   3           HG1      GLN   3   7.802 -15.923 -15.923
   20   1HE2  GLN   3          HE21      GLN   3   5.841 -17.572 -17.572
   21   2HE2  GLN   3          HE22      GLN   3   5.410 -18.526 -18.526
   22    H    THR   4           HN       THR   4   6.743 -11.220 -11.220
   23    HA   THR   4           HA       THR   4   4.193 -10.560 -10.560
   24    HB   THR   4           HB       THR   4   5.294  -8.184  -8.184
   25    HG1  THR   4           HG1      THR   4   7.578  -8.404  -8.404
   26   1HG2  THR   4          HG21      THR   4   4.765  -9.884  -9.884
   27   2HG2  THR   4          HG23      THR   4   6.493 -10.233 -10.233
   28   3HG2  THR   4          HG22      THR   4   5.929  -8.603  -8.603
   29    H    GLU   5           HN       GLU   5   3.279  -8.403  -8.403
   30    HA   GLU   5           HA       GLU   5   3.210  -8.816  -8.816
   31   1HB   GLU   5           HB2      GLU   5   1.555  -7.309  -7.309
   32   2HB   GLU   5           HB1      GLU   5   1.474  -6.852  -6.852
   33   1HG   GLU   5           HG2      GLU   5  -0.192  -8.471  -8.471
   34   2HG   GLU   5           HG1      GLU   5   1.200  -9.456  -9.456
   35    H    THR   6           HN       THR   6   4.181  -7.438  -7.438
   36    HA   THR   6           HA       THR   6   5.060  -4.788  -4.788
   37    HB   THR   6           HB       THR   6   7.065  -6.433  -6.433
   38    HG1  THR   6           HG1      THR   6   6.543  -7.795  -7.795
   39   1HG2  THR   6          HG23      THR   6   7.049  -3.885  -3.885
   40   2HG2  THR   6          HG22      THR   6   7.715  -4.678  -4.678
   41   3HG2  THR   6          HG21      THR   6   8.527  -4.838  -4.838
   42    H    CYS   7           HN       CYS   7   4.003  -3.548  -3.548
   43    HA   CYS   7           HA       CYS   7   3.951  -4.498  -4.498
   44   1HB   CYS   7           HB2      CYS   7   2.551  -2.139  -2.139
   45   2HB   CYS   7           HB1      CYS   7   2.325  -2.690  -2.690
   46    H    THR   8           HN       THR   8   6.513  -3.763  -3.763
   47    HA   THR   8           HA       THR   8   6.873  -1.150  -1.150
   48    HB   THR   8           HB       THR   8   7.378  -0.891  -0.891
   49    HG1  THR   8           HG1      THR   8   9.959  -1.079  -1.079
   50   1HG2  THR   8          HG22      THR   8   8.050  -3.547  -3.547
   51   2HG2  THR   8          HG21      THR   8   9.639  -2.783  -2.783
   52   3HG2  THR   8          HG23      THR   8   8.442  -2.446  -2.446
   53    H    VAL   9           HN       VAL   9   7.145  -2.368  -2.368
   54    HA   VAL   9           HA       VAL   9   9.674  -3.915  -3.915
   55    HB   VAL   9           HB       VAL   9   7.391  -3.881  -3.881
   56   1HG1  VAL   9          HG13      VAL   9   9.991  -5.375  -5.375
   57   2HG1  VAL   9          HG12      VAL   9   8.625  -6.111  -6.111
   58   3HG1  VAL   9          HG11      VAL   9   9.301  -4.586  -4.586
   59   1HG2  VAL   9          HG21      VAL   9   6.883  -4.848  -4.848
   60   2HG2  VAL   9          HG23      VAL   9   6.651  -5.945  -5.945
   61   3HG2  VAL   9          HG22      VAL   9   8.095  -6.079  -6.079
   62    H    ALA  10           HN       ALA  10  10.778  -3.631  -3.631
   63    HA   ALA  10           HA       ALA  10  11.342  -0.833  -0.833
   64   1HB   ALA  10           HB3      ALA  10  12.820  -2.994  -2.994
   65   2HB   ALA  10           HB2      ALA  10  12.153  -2.802  -2.802
   66   3HB   ALA  10           HB1      ALA  10  13.085  -1.495  -1.495
   67    HA   PRO  11           HA       PRO  11   8.021   0.601   0.601
   68   1HB   PRO  11           HB2      PRO  11  10.097   1.867   1.867
   69   2HB   PRO  11           HB1      PRO  11   8.779   2.610   2.610
   70   1HG   PRO  11           HG2      PRO  11  11.535   2.407   2.407
   71   2HG   PRO  11           HG1      PRO  11  10.218   3.157   3.157
   72   1HD   PRO  11           HD2      PRO  11  11.588   0.861   0.861
   73   2HD   PRO  11           HD1      PRO  11   9.999   1.356   1.356
   74    H    ARG  12           HN       ARG  12  11.019  -0.698  -0.698
   75    HA   ARG  12           HA       ARG  12   9.653  -1.325  -1.325
   76   1HB   ARG  12           HB2      ARG  12  12.379  -2.234  -2.234
   77   2HB   ARG  12           HB1      ARG  12  11.787  -2.241  -2.241
   78   1HG   ARG  12           HG2      ARG  12  12.655  -0.172  -0.172
   79   2HG   ARG  12           HG1      ARG  12  11.406   0.403   0.403
   80   1HD   ARG  12           HD2      ARG  12  13.418   1.119   1.119
   81   2HD   ARG  12           HD1      ARG  12  13.010  -0.354  -0.354
   82    HE   ARG  12           HE       ARG  12  14.655  -0.981  -0.981
   83   1HH1  ARG  12          HH11      ARG  12  14.730   0.481   0.481
   84   2HH1  ARG  12          HH12      ARG  12  16.393   0.088   0.088
   85   1HH2  ARG  12          HH21      ARG  12  16.831  -1.486  -1.486
   86   2HH2  ARG  12          HH22      ARG  12  17.577  -1.021  -1.021
   87    H    GLU  13           HN       GLU  13  10.826  -3.127  -3.127
   88    HA   GLU  13           HA       GLU  13   9.880  -5.650  -5.650
   89   1HB   GLU  13           HB2      GLU  13  11.084  -4.929  -4.929
   90   2HB   GLU  13           HB1      GLU  13  10.653  -6.569  -6.569
   91   1HG   GLU  13           HG2      GLU  13  12.134  -6.139  -6.139
   92   2HG   GLU  13           HG1      GLU  13  12.771  -4.764  -4.764
   93    H    ARG  14           HN       ARG  14   7.794  -3.743  -3.743
   94    HA   ARG  14           HA       ARG  14   6.306  -4.588  -4.588
   95   1HB   ARG  14           HB2      ARG  14   5.875  -2.364  -2.364
   96   2HB   ARG  14           HB1      ARG  14   4.699  -2.776  -2.776
   97   1HG   ARG  14           HG2      ARG  14   6.837  -2.593  -2.593
   98   2HG   ARG  14           HG1      ARG  14   7.404  -1.537  -1.537
   99   1HD   ARG  14           HD2      ARG  14   5.460  -0.117  -0.117
  100   2HD   ARG  14           HD1      ARG  14   4.709  -1.236  -1.236
  101    HE   ARG  14           HE       ARG  14   7.044  -0.621  -0.621
  102   1HH1  ARG  14          HH11      ARG  14   4.551   1.303   1.303
  103   2HH1  ARG  14          HH12      ARG  14   4.789   2.661   2.661
  104   1HH2  ARG  14          HH21      ARG  14   7.338   1.172   1.172
  105   2HH2  ARG  14          HH22      ARG  14   6.360   2.587   2.587
  106    H    GLN  15           HN       GLN  15   4.159  -5.490  -5.490
  107    HA   GLN  15           HA       GLN  15   3.732  -6.788  -6.788
  108   1HB   GLN  15           HB2      GLN  15   3.213  -7.552  -7.552
  109   2HB   GLN  15           HB1      GLN  15   1.990  -8.038  -8.038
  110   1HG   GLN  15           HG2      GLN  15   3.306  -9.725  -9.725
  111   2HG   GLN  15           HG1      GLN  15   4.567  -8.576  -8.576
  112   1HE2  GLN  15          HE22      GLN  15   6.163  -8.889  -8.889
  113   2HE2  GLN  15          HE21      GLN  15   5.663  -7.652  -7.652
  114    H    ASN  16           HN       ASN  16   2.411  -5.445  -5.445
  115    HA   ASN  16           HA       ASN  16   0.576  -3.579  -3.579
  116   1HB   ASN  16           HB2      ASN  16   1.460  -3.796  -3.796
  117   2HB   ASN  16           HB1      ASN  16   0.242  -5.051  -5.051
  118   1HD2  ASN  16          HD22      ASN  16  -1.287  -1.353  -1.353
  119   2HD2  ASN  16          HD21      ASN  16   0.032  -1.957  -1.957
  120    H    CYS  17           HN       CYS  17  -1.258  -3.933  -3.933
  121    HA   CYS  17           HA       CYS  17  -2.563  -6.563  -6.563
  122   1HB   CYS  17           HB2      CYS  17  -1.976  -5.119  -5.119
  123   2HB   CYS  17           HB1      CYS  17  -3.540  -4.394  -4.394
  124    H    GLY  18           HN       GLY  18  -2.916  -3.300  -3.300
  125   1HA   GLY  18           HA2      GLY  18  -5.191  -3.963  -3.963
  126   2HA   GLY  18           HA1      GLY  18  -5.667  -2.968  -2.968
  127    H    PHE  19           HN       PHE  19  -6.110  -1.707  -1.707
  128    HA   PHE  19           HA       PHE  19  -3.850  -0.365  -0.365
  129   1HB   PHE  19           HB2      PHE  19  -5.623   1.269   1.269
  130   2HB   PHE  19           HB1      PHE  19  -5.796  -0.410  -0.410
  131    HD1  PHE  19           HD2      PHE  19  -7.441  -1.901  -1.901
  132    HD2  PHE  19           HD1      PHE  19  -7.323   2.361   2.361
  133    HE1  PHE  19           HE2      PHE  19  -9.731  -1.957  -1.957
  134    HE2  PHE  19           HE1      PHE  19  -9.621   2.304   2.304
  135    HZ   PHE  19           HZ       PHE  19 -10.821   0.146   0.146
  136    HA   PRO  20           HA       PRO  20  -3.211   2.892   2.892
  137   1HB   PRO  20           HB2      PRO  20  -2.555   4.986   4.986
  138   2HB   PRO  20           HB1      PRO  20  -1.457   3.714   3.714
  139   1HG   PRO  20           HG2      PRO  20  -2.477   4.154   4.154
  140   2HG   PRO  20           HG1      PRO  20  -1.360   2.898   2.898
  141   1HD   PRO  20           HD2      PRO  20  -4.229   2.698   2.698
  142   2HD   PRO  20           HD1      PRO  20  -3.027   1.406   1.406
  143    H    GLY  21           HN       GLY  21  -5.456   3.697   3.697
  144   1HA   GLY  21           HA2      GLY  21  -6.442   6.145   6.145
  145   2HA   GLY  21           HA1      GLY  21  -7.368   5.004   5.004
  146    H    VAL  22           HN       VAL  22  -6.622   3.036   3.036
  147    HA   VAL  22           HA       VAL  22  -9.166   3.131   3.131
  148    HB   VAL  22           HB       VAL  22  -8.115   1.636   1.636
  149   1HG1  VAL  22          HG12      VAL  22  -8.988   0.837   0.837
  150   2HG1  VAL  22          HG11      VAL  22  -7.325   0.886   0.886
  151   3HG1  VAL  22          HG13      VAL  22  -7.763  -0.202  -0.202
  152   1HG2  VAL  22          HG21      VAL  22  -5.642   2.419   2.419
  153   2HG2  VAL  22          HG23      VAL  22  -5.898   2.461   2.461
  154   3HG2  VAL  22          HG22      VAL  22  -5.720   0.914   0.914
  155    H    THR  23           HN       THR  23  -8.937   3.106   3.106
  156    HA   THR  23           HA       THR  23  -7.513   5.537   5.537
  157    HB   THR  23           HB       THR  23  -9.585   6.403   6.403
  158    HG1  THR  23           HG1      THR  23 -11.540   5.459   5.459
  159   1HG2  THR  23          HG23      THR  23  -8.786   6.983   6.983
  160   2HG2  THR  23          HG22      THR  23 -10.152   6.001   6.001
  161   3HG2  THR  23          HG21      THR  23 -10.427   7.434   7.434
  162    HA   PRO  24           HA       PRO  24  -6.436   3.664   3.664
  163   1HB   PRO  24           HB2      PRO  24  -8.289   5.362   5.362
  164   2HB   PRO  24           HB1      PRO  24  -6.522   5.300   5.300
  165   1HG   PRO  24           HG2      PRO  24  -8.216   7.175   7.175
  166   2HG   PRO  24           HG1      PRO  24  -6.455   7.188   7.188
  167   1HD   PRO  24           HD2      PRO  24  -7.770   6.758   6.758
  168   2HD   PRO  24           HD1      PRO  24  -6.127   6.179   6.179
  169    H    SER  25           HN       SER  25  -9.942   4.349   4.349
  170    HA   SER  25           HA       SER  25 -10.759   2.288   2.288
  171   1HB   SER  25           HB2      SER  25 -13.015   2.678   2.678
  172   2HB   SER  25           HB1      SER  25 -12.296   4.073   4.073
  173    HG   SER  25           HG       SER  25 -12.125   5.011   5.011
  174    H    GLN  26           HN       GLN  26 -10.637   2.539   2.539
  175    HA   GLN  26           HA       GLN  26 -11.678  -0.034  -0.034
  176   1HB   GLN  26           HB2      GLN  26  -9.781   1.746   1.746
  177   2HB   GLN  26           HB1      GLN  26 -10.404   0.227   0.227
  178   1HG   GLN  26           HG2      GLN  26 -12.738   1.255   1.255
  179   2HG   GLN  26           HG1      GLN  26 -11.861   2.780   2.780
  180   1HE2  GLN  26          HE22      GLN  26 -13.226   1.165   1.165
  181   2HE2  GLN  26          HE21      GLN  26 -13.849   0.886   0.886
  182    H    CYS  27           HN       CYS  27  -8.240   1.052   1.052
  183    HA   CYS  27           HA       CYS  27  -7.119  -1.520  -1.520
  184   1HB   CYS  27           HB2      CYS  27  -5.919   0.710   0.710
  185   2HB   CYS  27           HB1      CYS  27  -5.920   0.750   0.750
  186    H    ALA  28           HN       ALA  28  -8.534   0.079   0.079
  187    HA   ALA  28           HA       ALA  28  -7.425  -1.914  -1.914
  188   1HB   ALA  28           HB1      ALA  28  -9.249   0.472   0.472
  189   2HB   ALA  28           HB3      ALA  28  -8.829  -0.627  -0.627
  190   3HB   ALA  28           HB2      ALA  28  -7.570   0.315   0.315
  191    H    ASN  29           HN       ASN  29 -10.046  -1.742  -1.742
  192    HA   ASN  29           HA       ASN  29 -11.998  -3.088  -3.088
  193   1HB   ASN  29           HB2      ASN  29 -12.360  -1.582  -1.582
  194   2HB   ASN  29           HB1      ASN  29 -12.072  -3.082  -3.082
  195   1HD2  ASN  29          HD21      ASN  29 -14.652  -1.519  -1.519
  196   2HD2  ASN  29          HD22      ASN  29 -15.748  -2.639  -2.639
  197    H    LYS  30           HN       LYS  30  -9.785  -4.040  -4.040
  198    HA   LYS  30           HA       LYS  30 -10.569  -6.805  -6.805
  199   1HB   LYS  30           HB2      LYS  30  -8.242  -5.314  -5.314
  200   2HB   LYS  30           HB1      LYS  30  -8.368  -7.073  -7.073
  201   1HG   LYS  30           HG2      LYS  30 -10.796  -6.586  -6.586
  202   2HG   LYS  30           HG1      LYS  30 -10.147  -4.988  -4.988
  203   1HD   LYS  30           HD2      LYS  30  -8.463  -7.281  -7.281
  204   2HD   LYS  30           HD1      LYS  30  -9.987  -7.091  -7.091
  205   1HE   LYS  30           HE2      LYS  30  -8.266  -4.677  -4.677
  206   2HE   LYS  30           HE1      LYS  30  -7.831  -5.812  -5.812
  207   1HZ   LYS  30           HZ3      LYS  30 -10.521  -4.655  -4.655
  208   2HZ   LYS  30           HZ2      LYS  30  -9.313  -3.976  -3.976
  209   3HZ   LYS  30           HZ1      LYS  30  -9.912  -5.530  -5.530
  210    H    GLY  31           HN       GLY  31  -7.770  -4.955  -4.955
  211   1HA   GLY  31           HA2      GLY  31  -7.136  -5.663  -5.663
  212   2HA   GLY  31           HA1      GLY  31  -7.145  -7.309  -7.309
  213    H    CYS  32           HN       CYS  32  -6.022  -4.631  -4.631
  214    HA   CYS  32           HA       CYS  32  -3.320  -5.823  -5.823
  215   1HB   CYS  32           HB2      CYS  32  -4.401  -3.706  -3.706
  216   2HB   CYS  32           HB1      CYS  32  -2.964  -4.699  -4.699
  217    H    CYS  33           HN       CYS  33  -1.476  -4.524  -4.524
  218    HA   CYS  33           HA       CYS  33  -1.959  -2.401  -2.401
  219   1HB   CYS  33           HB2      CYS  33   0.645  -3.018  -3.018
  220   2HB   CYS  33           HB1      CYS  33   0.439  -2.170  -2.170
  221    H    PHE  34           HN       PHE  34  -2.235  -0.232  -0.232
  222    HA   PHE  34           HA       PHE  34  -1.888   0.677   0.677
  223   1HB   PHE  34           HB2      PHE  34  -4.061   1.085   1.085
  224   2HB   PHE  34           HB1      PHE  34  -3.182   2.121   2.121
  225    HD1  PHE  34           HD2      PHE  34  -3.548   1.613   1.613
  226    HD2  PHE  34           HD1      PHE  34  -3.092   4.402   4.402
  227    HE1  PHE  34           HE2      PHE  34  -3.714   3.498   3.498
  228    HE2  PHE  34           HE1      PHE  34  -3.257   6.288   6.288
  229    HZ   PHE  34           HZ       PHE  34  -3.567   5.835   5.835
  230    H    ASP  35           HN       ASP  35  -0.364   2.254   2.254
  231    HA   ASP  35           HA       ASP  35   0.942   3.803   3.803
  232   1HB   ASP  35           HB2      ASP  35   2.127   1.568   1.568
  233   2HB   ASP  35           HB1      ASP  35   2.611   1.910   1.910
  234    H    ASP  36           HN       ASP  36   0.134   5.589   5.589
  235    HA   ASP  36           HA       ASP  36   1.270   5.828   5.828
  236   1HB   ASP  36           HB2      ASP  36  -0.360   7.685   7.685
  237   2HB   ASP  36           HB1      ASP  36  -1.147   6.162   6.162
  238    H    THR  37           HN       THR  37   3.442   6.275   6.275
  239    HA   THR  37           HA       THR  37   3.599   9.026   9.026
  240    HB   THR  37           HB       THR  37   5.769   8.318   8.318
  241    HG1  THR  37           HG1      THR  37   5.009   5.812   5.812
  242   1HG2  THR  37          HG23      THR  37   3.352   6.616   6.616
  243   2HG2  THR  37          HG22      THR  37   4.813   6.629   6.629
  244   3HG2  THR  37          HG21      THR  37   3.860   8.102   8.102
  245    H    VAL  38           HN       VAL  38   4.586   6.878   6.878
  246    HA   VAL  38           HA       VAL  38   6.171   9.116   9.116
  247    HB   VAL  38           HB       VAL  38   6.751   6.160   6.160
  248   1HG1  VAL  38          HG13      VAL  38   7.860   8.697   8.697
  249   2HG1  VAL  38          HG12      VAL  38   9.008   7.418   7.418
  250   3HG1  VAL  38          HG11      VAL  38   7.711   7.110   7.110
  251   1HG2  VAL  38          HG21      VAL  38   7.729   8.221   8.221
  252   2HG2  VAL  38          HG23      VAL  38   7.461   6.495   6.495
  253   3HG2  VAL  38          HG22      VAL  38   8.892   7.052   7.052
  254    H    ARG  39           HN       ARG  39   6.312   8.958   8.958
  255    HA   ARG  39           HA       ARG  39   3.719   7.981   7.981
  256   1HB   ARG  39           HB2      ARG  39   5.026  10.477  10.477
  257   2HB   ARG  39           HB1      ARG  39   5.183   9.716   9.716
  258   1HG   ARG  39           HG2      ARG  39   2.539   9.772   9.772
  259   2HG   ARG  39           HG1      ARG  39   3.056  11.118  11.118
  260   1HD   ARG  39           HD2      ARG  39   3.532   9.218   9.218
  261   2HD   ARG  39           HD1      ARG  39   2.383   8.303   8.303
  262    HE   ARG  39           HE       ARG  39   0.679   9.703   9.703
  263   1HH1  ARG  39          HH21      ARG  39   3.820  11.038  11.038
  264   2HH1  ARG  39          HH22      ARG  39   3.196  12.304  12.304
  265   1HH2  ARG  39          HH11      ARG  39  -0.116  11.371  11.371
  266   2HH2  ARG  39          HH12      ARG  39   0.978  12.491  12.491
  267    H    GLY  40           HN       GLY  40   3.970   7.441   7.441
  268   1HA   GLY  40           HA2      GLY  40   4.962   6.138   6.138
  269   2HA   GLY  40           HA1      GLY  40   6.507   6.372   6.372
  270    H    VAL  41           HN       VAL  41   4.677   5.329   5.329
  271    HA   VAL  41           HA       VAL  41   5.141   2.463   2.463
  272    HB   VAL  41           HB       VAL  41   5.609   2.203   2.203
  273   1HG1  VAL  41          HG12      VAL  41   7.325   4.153   4.153
  274   2HG1  VAL  41          HG11      VAL  41   7.843   3.349   3.349
  275   3HG1  VAL  41          HG13      VAL  41   7.486   2.397   2.397
  276   1HG2  VAL  41          HG22      VAL  41   5.493   5.235   5.235
  277   2HG2  VAL  41          HG21      VAL  41   4.400   4.173   4.173
  278   3HG2  VAL  41          HG23      VAL  41   6.096   4.286   4.286
  279    HA   PRO  42           HA       PRO  42   0.950   1.807   1.807
  280   1HB   PRO  42           HB2      PRO  42   1.229  -0.729  -0.729
  281   2HB   PRO  42           HB1      PRO  42   1.055  -0.382  -0.382
  282   1HG   PRO  42           HG2      PRO  42   3.333  -1.427  -1.427
  283   2HG   PRO  42           HG1      PRO  42   3.164  -1.048  -1.048
  284   1HD   PRO  42           HD2      PRO  42   4.469   0.516   0.516
  285   2HD   PRO  42           HD1      PRO  42   4.693   0.600   0.600
  286    H    TRP  43           HN       TRP  43  -0.186   2.571   2.571
  287    HA   TRP  43           HA       TRP  43   1.163   2.747   2.747
  288   1HB   TRP  43           HB2      TRP  43  -1.698   3.517   3.517
  289   2HB   TRP  43           HB1      TRP  43  -0.687   4.112   4.112
  290    HD1  TRP  43           HD1      TRP  43   1.948   4.657   4.657
  291    HE1  TRP  43           HE1      TRP  43   1.971   6.684   6.684
  292    HE3  TRP  43           HE3      TRP  43  -3.071   5.451   5.451
  293    HZ2  TRP  43           HZ2      TRP  43   0.109   8.413   8.413
  294    HZ3  TRP  43           HZ3      TRP  43  -3.920   7.293   7.293
  295    HH2  TRP  43           HH2      TRP  43  -2.338   8.774   8.774
  296    H    CYS  44           HN       CYS  44  -1.607   0.986   0.986
  297    HA   CYS  44           HA       CYS  44  -2.119  -0.366  -0.366
  298   1HB   CYS  44           HB2      CYS  44  -3.924   0.347   0.347
  299   2HB   CYS  44           HB1      CYS  44  -3.356  -0.981  -0.981
  300    H    PHE  45           HN       PHE  45  -0.860  -2.127  -2.127
  301    HA   PHE  45           HA       PHE  45  -0.200  -4.045  -4.045
  302   1HB   PHE  45           HB2      PHE  45   2.163  -4.118  -4.118
  303   2HB   PHE  45           HB1      PHE  45   1.726  -2.481  -2.481
  304    HD1  PHE  45           HD2      PHE  45   0.831  -0.972  -0.972
  305    HD2  PHE  45           HD1      PHE  45   3.401  -4.386  -4.386
  306    HE1  PHE  45           HE2      PHE  45   1.614  -0.132  -0.132
  307    HE2  PHE  45           HE1      PHE  45   4.189  -3.547  -3.547
  308    HZ   PHE  45           HZ       PHE  45   3.294  -1.420  -1.420
  309    H    TYR  46           HN       TYR  46   0.941  -6.050  -6.050
  310    HA   TYR  46           HA       TYR  46  -0.778  -6.924  -6.924
  311   1HB   TYR  46           HB2      TYR  46   1.303  -8.160  -8.160
  312   2HB   TYR  46           HB1      TYR  46   0.905  -8.969  -8.969
  313    HD1  TYR  46           HD1      TYR  46  -1.471  -9.661  -9.661
  314    HD2  TYR  46           HD2      TYR  46  -0.207  -8.166  -8.166
  315    HE1  TYR  46           HE1      TYR  46  -3.518 -10.595 -10.595
  316    HE2  TYR  46           HE2      TYR  46  -2.254  -9.100  -9.100
  317    HH   TYR  46           HH       TYR  46  -4.716 -10.772 -10.772
  318    HA   PRO  47           HA       PRO  47   2.216  -6.416  -6.416
  319   1HB   PRO  47           HB2      PRO  47   1.521  -8.595  -8.595
  320   2HB   PRO  47           HB1      PRO  47   0.620  -7.074  -7.074
  321   1HG   PRO  47           HG2      PRO  47  -0.209  -9.654  -9.654
  322   2HG   PRO  47           HG1      PRO  47  -1.096  -8.125  -8.125
  323   1HD   PRO  47           HD2      PRO  47   0.465  -9.518  -9.518
  324   2HD   PRO  47           HD1      PRO  47  -0.840  -8.324  -8.324
  325    H    ASN  48           HN       ASN  48   4.125  -7.391  -7.391
  326    HA   ASN  48           HA       ASN  48   5.120  -9.868  -9.868
  327   1HB   ASN  48           HB2      ASN  48   6.389  -7.154  -7.154
  328   2HB   ASN  48           HB1      ASN  48   7.427  -8.579  -8.579
  329   1HD2  ASN  48          HD22      ASN  48   7.312  -8.349  -8.349
  330   2HD2  ASN  48          HD21      ASN  48   8.237  -7.955  -7.955
  331    H    THR  49           HN       THR  49   5.145 -11.226 -11.226
  332    HA   THR  49           HA       THR  49   5.917 -10.179 -10.179
  333    HB   THR  49           HB       THR  49   5.372 -12.431 -12.431
  334    HG1  THR  49           HG1      THR  49   5.321 -12.945 -12.945
  335   1HG2  THR  49          HG22      THR  49   3.535 -10.798 -10.798
  336   2HG2  THR  49          HG21      THR  49   3.344 -11.505 -11.505
  337   3HG2  THR  49          HG23      THR  49   3.017 -12.475 -12.475
  338    H    ILE  50           HN       ILE  50   8.164  -9.637  -9.637
  339    HA   ILE  50           HA       ILE  50   9.913 -11.943 -11.943
  340    HB   ILE  50           HB       ILE  50  10.599  -8.990  -8.990
  341   1HG1  ILE  50          HG12      ILE  50  10.098 -10.752 -10.752
  342   2HG1  ILE  50          HG11      ILE  50   8.931  -9.592  -9.592
  343   1HG2  ILE  50          HG23      ILE  50  12.075 -11.390 -11.390
  344   2HG2  ILE  50          HG22      ILE  50  12.618  -9.714  -9.714
  345   3HG2  ILE  50          HG21      ILE  50  12.508 -10.516 -10.516
  346   1HD1  ILE  50          HD11      ILE  50  11.701  -8.615  -8.615
  347   2HD1  ILE  50          HD13      ILE  50  10.644  -8.916  -8.916
  348   3HD1  ILE  50          HD12      ILE  50  10.162  -7.764  -7.764
  349    H    ASP  51           HN       ASP  51  11.813 -12.295 -12.295
  350    HA   ASP  51           HA       ASP  51  11.191 -11.823 -11.823
  351   1HB   ASP  51           HB2      ASP  51  12.167 -13.981 -13.981
  352   2HB   ASP  51           HB1      ASP  51  13.686 -13.100 -13.100
  353    H    VAL  52           HN       VAL  52  12.232 -10.364 -10.364
  354    HA   VAL  52           HA       VAL  52  14.292  -8.655  -8.655
  355    HB   VAL  52           HB       VAL  52  13.548  -6.907  -6.907
  356   1HG1  VAL  52          HG12      VAL  52  11.388  -8.072  -8.072
  357   2HG1  VAL  52          HG11      VAL  52  11.401  -6.428  -6.428
  358   3HG1  VAL  52          HG13      VAL  52  12.646  -6.942  -6.942
  359   1HG2  VAL  52          HG22      VAL  52  11.798  -9.171  -9.171
  360   2HG2  VAL  52          HG21      VAL  52  12.504  -7.876  -7.876
  361   3HG2  VAL  52          HG23      VAL  52  11.072  -7.564  -7.564
  362    HA   PRO  53           HA       PRO  53  16.550 -11.420 -11.420
  363   1HB   PRO  53           HB2      PRO  53  18.858 -10.046 -10.046
  364   2HB   PRO  53           HB1      PRO  53  18.452 -11.766 -11.766
  365   1HG   PRO  53           HG2      PRO  53  18.091  -9.776  -9.776
  366   2HG   PRO  53           HG1      PRO  53  17.923 -11.537 -11.537
  367   1HD   PRO  53           HD2      PRO  53  15.812  -9.798  -9.798
  368   2HD   PRO  53           HD1      PRO  53  15.661 -11.473 -11.473
  369    HA   PRO  54           HA       PRO  54  18.970  -7.170  -7.170
  370   1HB   PRO  54           HB2      PRO  54  16.910  -5.293  -5.293
  371   2HB   PRO  54           HB1      PRO  54  18.668  -5.203  -5.203
  372   1HG   PRO  54           HG2      PRO  54  16.731  -6.003  -6.003
  373   2HG   PRO  54           HG1      PRO  54  18.484  -5.842  -5.842
  374   1HD   PRO  54           HD2      PRO  54  17.106  -8.236  -8.236
  375   2HD   PRO  54           HD1      PRO  54  18.836  -8.080  -8.080
  376    H    GLU  55           HN       GLU  55  18.343  -6.077  -6.077
  377    HA   GLU  55           HA       GLU  55  16.036  -7.275  -7.275
  378   1HB   GLU  55           HB2      GLU  55  16.773  -5.908  -5.908
  379   2HB   GLU  55           HB1      GLU  55  18.060  -6.918  -6.918
  380   1HG   GLU  55           HG2      GLU  55  19.139  -5.091  -5.091
  381   2HG   GLU  55           HG1      GLU  55  17.699  -4.076  -4.076
  382    H    GLU  56           HN       GLU  56  14.267  -6.015  -6.015
  383    HA   GLU  56           HA       GLU  56  13.227  -4.038  -4.038
  384   1HB   GLU  56           HB2      GLU  56  12.084  -5.715  -5.715
  385   2HB   GLU  56           HB1      GLU  56  12.126  -4.246  -4.246
  386   1HG   GLU  56           HG2      GLU  56  10.110  -3.927  -3.927
  387   2HG   GLU  56           HG1      GLU  56  11.197  -3.153  -3.153
  388    H    GLU  57           HN       GLU  57  13.058  -1.772  -1.772
  389    HA   GLU  57           HA       GLU  57  14.285  -0.618  -0.618
  390   1HB   GLU  57           HB2      GLU  57  15.170   0.063   0.063
  391   2HB   GLU  57           HB1      GLU  57  15.726   0.857   0.857
  392   1HG   GLU  57           HG2      GLU  57  16.452  -1.475  -1.475
  393   2HG   GLU  57           HG1      GLU  57  16.215  -1.992  -1.992
  394    H    SER  58           HN       SER  58  12.570   0.609   0.609
  395    HA   SER  58           HA       SER  58  11.199   2.290   2.290
  396   1HB   SER  58           HB2      SER  58   9.771   0.519   0.519
  397   2HB   SER  58           HB1      SER  58  10.071   1.292   1.292
  398    HG   SER  58           HG       SER  58   8.194   1.890   1.890
  399    H    GLU  59           HN       GLU  59  11.697   4.428   4.428
  400    HA   GLU  59           HA       GLU  59  12.883   5.349   5.349
  401   1HB   GLU  59           HB2      GLU  59  13.678   5.995   5.995
  402   2HB   GLU  59           HB1      GLU  59  12.253   7.032   7.032
  403   1HG   GLU  59           HG2      GLU  59  13.019   8.425   8.425
  404   2HG   GLU  59           HG1      GLU  59  14.084   7.185   7.185
  405    H    PHE  60           HN       PHE  60  11.287   5.588   5.588
  406    HA   PHE  60           HA       PHE  60   9.195   7.579   7.579
  407   1HB   PHE  60           HB2      PHE  60   8.247   5.253   5.253
  408   2HB   PHE  60           HB1      PHE  60   8.642   4.989   4.989
  409    HD1  PHE  60           HD1      PHE  60   7.045   7.685   7.685
  410    HD2  PHE  60           HD2      PHE  60   6.897   5.311   5.311
  411    HE1  PHE  60           HE1      PHE  60   4.946   8.822   8.822
  412    HE2  PHE  60           HE2      PHE  60   4.798   6.448   6.448
  413    HZ   PHE  60           HZ       PHE  60   3.821   8.205   8.205

  Start of MODEL    8
    1   1H    GLU   1           HT3      GLU   1   4.453 -14.500 -14.500
    2   2H    GLU   1           HT2      GLU   1   4.547 -16.120 -16.120
    3   3H    GLU   1           HT1      GLU   1   5.842 -15.409 -15.409
    4    HA   GLU   1           HA       GLU   1   6.539 -15.425 -15.425
    5   1HB   GLU   1           HB2      GLU   1   3.652 -14.832 -14.832
    6   2HB   GLU   1           HB1      GLU   1   4.834 -14.246 -14.246
    7   1HG   GLU   1           HG2      GLU   1   4.398 -16.369 -16.369
    8   2HG   GLU   1           HG1      GLU   1   5.786 -16.702 -16.702
    9    H    ALA   2           HN       ALA   2   8.047 -13.826 -13.826
   10    HA   ALA   2           HA       ALA   2   7.218 -11.149 -11.149
   11   1HB   ALA   2           HB1      ALA   2   9.365 -12.439 -12.439
   12   2HB   ALA   2           HB3      ALA   2  10.002 -11.920 -11.920
   13   3HB   ALA   2           HB2      ALA   2   9.502 -10.720 -10.720
   14    H    GLN   3           HN       GLN   3   6.515 -12.362 -12.362
   15    HA   GLN   3           HA       GLN   3   7.921 -10.430 -10.430
   16   1HB   GLN   3           HB2      GLN   3   6.468 -13.011 -13.011
   17   2HB   GLN   3           HB1      GLN   3   6.511 -11.830 -11.830
   18   1HG   GLN   3           HG2      GLN   3   8.473 -12.946 -12.946
   19   2HG   GLN   3           HG1      GLN   3   9.101 -11.755 -11.755
   20   1HE2  GLN   3          HE22      GLN   3   9.747 -14.136 -14.136
   21   2HE2  GLN   3          HE21      GLN   3   9.624 -12.485 -12.485
   22    H    THR   4           HN       THR   4   6.867  -8.478  -8.478
   23    HA   THR   4           HA       THR   4   3.944  -8.426  -8.426
   24    HB   THR   4           HB       THR   4   4.446  -5.872  -5.872
   25    HG1  THR   4           HG1      THR   4   6.813  -6.870  -6.870
   26   1HG2  THR   4          HG22      THR   4   3.982  -7.376  -7.376
   27   2HG2  THR   4          HG21      THR   4   5.711  -7.190  -7.190
   28   3HG2  THR   4          HG23      THR   4   4.666  -5.768  -5.768
   29    H    GLU   5           HN       GLU   5   2.859  -6.698  -6.698
   30    HA   GLU   5           HA       GLU   5   3.277  -7.684  -7.684
   31   1HB   GLU   5           HB2      GLU   5   1.481  -5.476  -5.476
   32   2HB   GLU   5           HB1      GLU   5   1.406  -6.171  -6.171
   33   1HG   GLU   5           HG2      GLU   5   0.967  -8.405  -8.405
   34   2HG   GLU   5           HG1      GLU   5   0.941  -7.646  -7.646
   35    H    THR   6           HN       THR   6   4.110  -6.500  -6.500
   36    HA   THR   6           HA       THR   6   5.128  -3.788  -3.788
   37    HB   THR   6           HB       THR   6   6.942  -5.715  -5.715
   38    HG1  THR   6           HG1      THR   6   6.626  -6.838  -6.838
   39   1HG2  THR   6          HG21      THR   6   7.069  -3.036  -3.036
   40   2HG2  THR   6          HG23      THR   6   7.977  -3.780  -3.780
   41   3HG2  THR   6          HG22      THR   6   8.462  -4.058  -4.058
   42    H    CYS   7           HN       CYS   7   4.567  -2.487  -2.487
   43    HA   CYS   7           HA       CYS   7   3.898  -3.797  -3.797
   44   1HB   CYS   7           HB2      CYS   7   3.144  -1.045  -1.045
   45   2HB   CYS   7           HB1      CYS   7   2.579  -1.786  -1.786
   46    H    THR   8           HN       THR   8   6.133  -1.619  -1.619
   47    HA   THR   8           HA       THR   8   6.953  -0.187  -0.187
   48    HB   THR   8           HB       THR   8   7.455   0.707   0.707
   49    HG1  THR   8           HG1      THR   8   9.903   0.600   0.600
   50   1HG2  THR   8          HG21      THR   8   7.976  -1.960  -1.960
   51   2HG2  THR   8          HG23      THR   8   9.549  -1.167  -1.167
   52   3HG2  THR   8          HG22      THR   8   8.199  -0.556  -0.556
   53    H    VAL   9           HN       VAL   9   7.617  -1.407  -1.407
   54    HA   VAL   9           HA       VAL   9   9.841  -3.303  -3.303
   55    HB   VAL   9           HB       VAL   9   7.593  -3.709  -3.709
   56   1HG1  VAL   9          HG12      VAL   9  10.092  -5.204  -5.204
   57   2HG1  VAL   9          HG11      VAL   9   8.689  -6.093  -6.093
   58   3HG1  VAL   9          HG13      VAL   9   9.442  -4.856  -4.856
   59   1HG2  VAL   9          HG23      VAL   9   7.985  -4.574  -4.574
   60   2HG2  VAL   9          HG22      VAL   9   6.491  -4.222  -4.222
   61   3HG2  VAL   9          HG21      VAL   9   7.320  -5.758  -5.758
   62    H    ALA  10           HN       ALA  10  11.021  -3.759  -3.759
   63    HA   ALA  10           HA       ALA  10  11.878  -1.272  -1.272
   64   1HB   ALA  10           HB2      ALA  10  12.981  -3.708  -3.708
   65   2HB   ALA  10           HB1      ALA  10  12.290  -3.779  -3.779
   66   3HB   ALA  10           HB3      ALA  10  13.444  -2.510  -2.510
   67    HA   PRO  11           HA       PRO  11   8.516  -0.156  -0.156
   68   1HB   PRO  11           HB2      PRO  11  10.627   0.645   0.645
   69   2HB   PRO  11           HB1      PRO  11   9.370   1.626   1.626
   70   1HG   PRO  11           HG2      PRO  11  12.119   1.424   1.424
   71   2HG   PRO  11           HG1      PRO  11  10.854   2.386   2.386
   72   1HD   PRO  11           HD2      PRO  11  12.147   0.191   0.191
   73   2HD   PRO  11           HD1      PRO  11  10.618   0.891   0.891
   74    H    ARG  12           HN       ARG  12  11.418  -1.862  -1.862
   75    HA   ARG  12           HA       ARG  12  10.031  -2.862  -2.862
   76   1HB   ARG  12           HB2      ARG  12  12.709  -3.359  -3.359
   77   2HB   ARG  12           HB1      ARG  12  12.133  -4.415  -4.415
   78   1HG   ARG  12           HG2      ARG  12  12.013  -2.627  -2.627
   79   2HG   ARG  12           HG1      ARG  12  12.141  -1.409  -1.409
   80   1HD   ARG  12           HD2      ARG  12  14.416  -3.242  -3.242
   81   2HD   ARG  12           HD1      ARG  12  14.250  -2.416  -2.416
   82    HE   ARG  12           HE       ARG  12  14.735  -1.133  -1.133
   83   1HH1  ARG  12          HH11      ARG  12  14.158  -0.901  -0.901
   84   2HH1  ARG  12          HH12      ARG  12  14.715   0.735   0.735
   85   1HH2  ARG  12          HH21      ARG  12  15.461   1.011   1.011
   86   2HH2  ARG  12          HH22      ARG  12  15.449   1.812   1.812
   87    H    GLU  13           HN       GLU  13  10.964  -4.210  -4.210
   88    HA   GLU  13           HA       GLU  13   9.788  -6.792  -6.792
   89   1HB   GLU  13           HB2      GLU  13  10.989  -5.582  -5.582
   90   2HB   GLU  13           HB1      GLU  13  10.245  -7.182  -7.182
   91   1HG   GLU  13           HG2      GLU  13  12.282  -6.533  -6.533
   92   2HG   GLU  13           HG1      GLU  13  12.837  -6.911  -6.911
   93    H    ARG  14           HN       ARG  14   7.925  -4.638  -4.638
   94    HA   ARG  14           HA       ARG  14   6.149  -4.989  -4.989
   95   1HB   ARG  14           HB2      ARG  14   6.463  -2.833  -2.833
   96   2HB   ARG  14           HB1      ARG  14   4.910  -3.041  -3.041
   97   1HG   ARG  14           HG2      ARG  14   6.310  -3.052  -3.052
   98   2HG   ARG  14           HG1      ARG  14   7.578  -2.327  -2.327
   99   1HD   ARG  14           HD2      ARG  14   5.991  -0.541  -0.541
  100   2HD   ARG  14           HD1      ARG  14   4.769  -1.246  -1.246
  101    HE   ARG  14           HE       ARG  14   7.258  -0.653  -0.653
  102   1HH1  ARG  14          HH11      ARG  14   4.185   0.584   0.584
  103   2HH1  ARG  14          HH12      ARG  14   4.125   1.844   1.844
  104   1HH2  ARG  14          HH21      ARG  14   7.162   1.005   1.005
  105   2HH2  ARG  14          HH22      ARG  14   5.804   2.080   2.080
  106    H    GLN  15           HN       GLN  15   4.231  -6.103  -6.103
  107    HA   GLN  15           HA       GLN  15   3.728  -7.273  -7.273
  108   1HB   GLN  15           HB2      GLN  15   2.388  -7.737  -7.737
  109   2HB   GLN  15           HB1      GLN  15   2.077  -8.660  -8.660
  110   1HG   GLN  15           HG2      GLN  15   4.917  -8.411  -8.411
  111   2HG   GLN  15           HG1      GLN  15   3.870  -9.469  -9.469
  112   1HE2  GLN  15          HE22      GLN  15   5.161 -10.684 -10.684
  113   2HE2  GLN  15          HE21      GLN  15   5.705  -9.245  -9.245
  114    H    ASN  16           HN       ASN  16   2.391  -6.201  -6.201
  115    HA   ASN  16           HA       ASN  16   0.840  -3.955  -3.955
  116   1HB   ASN  16           HB2      ASN  16   1.664  -4.777  -4.777
  117   2HB   ASN  16           HB1      ASN  16   0.152  -5.686  -5.686
  118   1HD2  ASN  16          HD22      ASN  16  -1.067  -2.639  -2.639
  119   2HD2  ASN  16          HD21      ASN  16  -0.447  -4.172  -4.172
  120    H    CYS  17           HN       CYS  17  -0.933  -3.974  -3.974
  121    HA   CYS  17           HA       CYS  17  -2.572  -6.412  -6.412
  122   1HB   CYS  17           HB2      CYS  17  -1.831  -5.239  -5.239
  123   2HB   CYS  17           HB1      CYS  17  -2.774  -3.834  -3.834
  124    H    GLY  18           HN       GLY  18  -2.576  -3.241  -3.241
  125   1HA   GLY  18           HA2      GLY  18  -4.788  -3.704  -3.704
  126   2HA   GLY  18           HA1      GLY  18  -5.391  -2.860  -2.860
  127    H    PHE  19           HN       PHE  19  -5.634  -1.521  -1.521
  128    HA   PHE  19           HA       PHE  19  -3.381   0.063   0.063
  129   1HB   PHE  19           HB2      PHE  19  -5.118   1.579   1.579
  130   2HB   PHE  19           HB1      PHE  19  -5.211  -0.104  -0.104
  131    HD1  PHE  19           HD2      PHE  19  -6.927  -1.629  -1.629
  132    HD2  PHE  19           HD1      PHE  19  -6.928   2.618   2.618
  133    HE1  PHE  19           HE2      PHE  19  -9.280  -1.748  -1.748
  134    HE2  PHE  19           HE1      PHE  19  -9.286   2.498   2.498
  135    HZ   PHE  19           HZ       PHE  19 -10.461   0.315   0.315
  136    HA   PRO  20           HA       PRO  20  -3.086   2.943   2.943
  137   1HB   PRO  20           HB2      PRO  20  -2.289   5.199   5.199
  138   2HB   PRO  20           HB1      PRO  20  -1.220   3.923   3.923
  139   1HG   PRO  20           HG2      PRO  20  -2.154   4.454   4.454
  140   2HG   PRO  20           HG1      PRO  20  -0.717   3.583   3.583
  141   1HD   PRO  20           HD2      PRO  20  -3.014   2.399   2.399
  142   2HD   PRO  20           HD1      PRO  20  -1.774   1.575   1.575
  143    H    GLY  21           HN       GLY  21  -4.974   3.830   3.830
  144   1HA   GLY  21           HA2      GLY  21  -6.177   6.194   6.194
  145   2HA   GLY  21           HA1      GLY  21  -6.945   5.026   5.026
  146    H    VAL  22           HN       VAL  22  -6.492   3.014   3.014
  147    HA   VAL  22           HA       VAL  22  -9.151   3.167   3.167
  148    HB   VAL  22           HB       VAL  22  -8.366   1.489   1.489
  149   1HG1  VAL  22          HG13      VAL  22  -9.048   0.855   0.855
  150   2HG1  VAL  22          HG12      VAL  22  -7.358   0.961   0.961
  151   3HG1  VAL  22          HG11      VAL  22  -7.859  -0.247  -0.247
  152   1HG2  VAL  22          HG22      VAL  22  -5.738   2.465   2.465
  153   2HG2  VAL  22          HG21      VAL  22  -6.180   1.888   1.888
  154   3HG2  VAL  22          HG23      VAL  22  -5.875   0.736   0.736
  155    H    THR  23           HN       THR  23  -9.405   3.149   3.149
  156    HA   THR  23           HA       THR  23  -7.848   5.423   5.423
  157    HB   THR  23           HB       THR  23 -10.012   6.170   6.170
  158    HG1  THR  23           HG1      THR  23 -11.886   5.392   5.392
  159   1HG2  THR  23          HG21      THR  23  -9.705   6.178   6.178
  160   2HG2  THR  23          HG23      THR  23 -10.924   7.138   7.138
  161   3HG2  THR  23          HG22      THR  23  -9.210   7.430   7.430
  162    HA   PRO  24           HA       PRO  24  -6.915   3.383   3.383
  163   1HB   PRO  24           HB2      PRO  24  -8.807   5.064   5.064
  164   2HB   PRO  24           HB1      PRO  24  -7.047   4.954   4.954
  165   1HG   PRO  24           HG2      PRO  24  -8.612   6.929   6.929
  166   2HG   PRO  24           HG1      PRO  24  -6.857   6.866   6.866
  167   1HD   PRO  24           HD2      PRO  24  -8.121   6.563   6.563
  168   2HD   PRO  24           HD1      PRO  24  -6.503   5.933   5.933
  169    H    SER  25           HN       SER  25 -10.356   4.024   4.024
  170    HA   SER  25           HA       SER  25 -11.371   2.082   2.082
  171   1HB   SER  25           HB2      SER  25 -12.480   3.694   3.694
  172   2HB   SER  25           HB1      SER  25 -13.396   2.296   2.296
  173    HG   SER  25           HG       SER  25 -14.034   3.561   3.561
  174    H    GLN  26           HN       GLN  26 -10.896   2.034   2.034
  175    HA   GLN  26           HA       GLN  26 -11.743  -0.653  -0.653
  176   1HB   GLN  26           HB2      GLN  26  -9.748   0.921   0.921
  177   2HB   GLN  26           HB1      GLN  26 -10.609  -0.528  -0.528
  178   1HG   GLN  26           HG2      GLN  26 -12.289   1.697   1.697
  179   2HG   GLN  26           HG1      GLN  26 -11.501   1.969   1.969
  180   1HE2  GLN  26          HE22      GLN  26 -14.230   0.248   0.248
  181   2HE2  GLN  26          HE21      GLN  26 -13.394   1.718   1.718
  182    H    CYS  27           HN       CYS  27  -8.438   0.742   0.742
  183    HA   CYS  27           HA       CYS  27  -7.087  -1.748  -1.748
  184   1HB   CYS  27           HB2      CYS  27  -6.159   0.680   0.680
  185   2HB   CYS  27           HB1      CYS  27  -6.099   0.607   0.607
  186    H    ALA  28           HN       ALA  28  -8.957  -0.197  -0.197
  187    HA   ALA  28           HA       ALA  28  -7.784  -1.935  -1.935
  188   1HB   ALA  28           HB2      ALA  28  -9.831   0.294   0.294
  189   2HB   ALA  28           HB1      ALA  28  -9.308  -0.648  -0.648
  190   3HB   ALA  28           HB3      ALA  28  -8.152   0.368   0.368
  191    H    ASN  29           HN       ASN  29 -10.351  -1.968  -1.968
  192    HA   ASN  29           HA       ASN  29 -12.311  -3.352  -3.352
  193   1HB   ASN  29           HB2      ASN  29 -12.591  -2.100  -2.100
  194   2HB   ASN  29           HB1      ASN  29 -12.045  -3.614  -3.614
  195   1HD2  ASN  29          HD22      ASN  29 -15.532  -3.811  -3.811
  196   2HD2  ASN  29          HD21      ASN  29 -14.267  -2.827  -2.827
  197    H    LYS  30           HN       LYS  30  -9.584  -4.354  -4.354
  198    HA   LYS  30           HA       LYS  30 -10.268  -7.180  -7.180
  199   1HB   LYS  30           HB2      LYS  30  -9.264  -5.994  -5.994
  200   2HB   LYS  30           HB1      LYS  30  -7.738  -6.306  -6.306
  201   1HG   LYS  30           HG2      LYS  30  -8.811  -8.711  -8.711
  202   2HG   LYS  30           HG1      LYS  30  -9.736  -8.251  -8.251
  203   1HD   LYS  30           HD2      LYS  30  -7.728  -7.886  -7.886
  204   2HD   LYS  30           HD1      LYS  30  -6.718  -8.063  -8.063
  205   1HE   LYS  30           HE2      LYS  30  -6.603 -10.151 -10.151
  206   2HE   LYS  30           HE1      LYS  30  -7.628 -10.420 -10.420
  207   1HZ   LYS  30           HZ1      LYS  30  -8.680  -9.687  -9.687
  208   2HZ   LYS  30           HZ3      LYS  30  -8.480 -11.293 -11.293
  209   3HZ   LYS  30           HZ2      LYS  30  -9.540 -10.266 -10.266
  210    H    GLY  31           HN       GLY  31  -7.676  -4.840  -4.840
  211   1HA   GLY  31           HA2      GLY  31  -6.837  -5.083  -5.083
  212   2HA   GLY  31           HA1      GLY  31  -6.705  -6.807  -6.807
  213    H    CYS  32           HN       CYS  32  -5.876  -4.138  -4.138
  214    HA   CYS  32           HA       CYS  32  -3.114  -5.207  -5.207
  215   1HB   CYS  32           HB2      CYS  32  -4.895  -3.900  -3.900
  216   2HB   CYS  32           HB1      CYS  32  -3.158  -3.623  -3.623
  217    H    CYS  33           HN       CYS  33  -1.345  -3.771  -3.771
  218    HA   CYS  33           HA       CYS  33  -1.847  -1.510  -1.510
  219   1HB   CYS  33           HB2      CYS  33   0.689  -2.247  -2.247
  220   2HB   CYS  33           HB1      CYS  33   0.568  -1.148  -1.148
  221    H    PHE  34           HN       PHE  34  -2.304   0.570   0.570
  222    HA   PHE  34           HA       PHE  34  -2.018   1.259   1.259
  223   1HB   PHE  34           HB2      PHE  34  -4.283   1.442   1.442
  224   2HB   PHE  34           HB1      PHE  34  -3.598   2.746   2.746
  225    HD1  PHE  34           HD1      PHE  34  -4.346   1.669   1.669
  226    HD2  PHE  34           HD2      PHE  34  -3.263   4.929   4.929
  227    HE1  PHE  34           HE1      PHE  34  -4.736   3.266   3.266
  228    HE2  PHE  34           HE2      PHE  34  -3.653   6.527   6.527
  229    HZ   PHE  34           HZ       PHE  34  -4.389   5.695   5.695
  230    H    ASP  35           HN       ASP  35  -0.072   2.258   2.258
  231    HA   ASP  35           HA       ASP  35   0.775   4.311   4.311
  232   1HB   ASP  35           HB2      ASP  35   2.241   2.259   2.259
  233   2HB   ASP  35           HB1      ASP  35   2.574   2.694   2.694
  234    H    ASP  36           HN       ASP  36   0.067   6.211   6.211
  235    HA   ASP  36           HA       ASP  36   0.736   6.557   6.557
  236   1HB   ASP  36           HB2      ASP  36  -0.922   8.428   8.428
  237   2HB   ASP  36           HB1      ASP  36  -1.633   6.857   6.857
  238    H    THR  37           HN       THR  37   2.989   6.804   6.804
  239    HA   THR  37           HA       THR  37   3.283   9.682   9.682
  240    HB   THR  37           HB       THR  37   5.512   8.746   8.746
  241    HG1  THR  37           HG1      THR  37   5.645   6.674   6.674
  242   1HG2  THR  37          HG21      THR  37   3.375   9.649   9.649
  243   2HG2  THR  37          HG23      THR  37   2.982   7.953   7.953
  244   3HG2  THR  37          HG22      THR  37   4.461   8.639   8.639
  245    H    VAL  38           HN       VAL  38   4.779   6.922   6.922
  246    HA   VAL  38           HA       VAL  38   6.578   8.808   8.808
  247    HB   VAL  38           HB       VAL  38   6.435   5.783   5.783
  248   1HG1  VAL  38          HG11      VAL  38   7.520   6.896   6.896
  249   2HG1  VAL  38          HG13      VAL  38   8.578   7.771   7.771
  250   3HG1  VAL  38          HG12      VAL  38   8.700   6.016   6.016
  251   1HG2  VAL  38          HG21      VAL  38   6.971   6.611   6.611
  252   2HG2  VAL  38          HG23      VAL  38   8.334   5.780   5.780
  253   3HG2  VAL  38          HG22      VAL  38   8.307   7.544   7.544
  254    H    ARG  39           HN       ARG  39   6.654   8.830   8.830
  255    HA   ARG  39           HA       ARG  39   4.024   8.140   8.140
  256   1HB   ARG  39           HB2      ARG  39   6.016  10.325  10.325
  257   2HB   ARG  39           HB1      ARG  39   4.999   9.789   9.789
  258   1HG   ARG  39           HG2      ARG  39   3.686  11.472  11.472
  259   2HG   ARG  39           HG1      ARG  39   3.049  10.024  10.024
  260   1HD   ARG  39           HD2      ARG  39   3.399  11.514  11.514
  261   2HD   ARG  39           HD1      ARG  39   4.828  10.483  10.483
  262    HE   ARG  39           HE       ARG  39   6.118  12.321  12.321
  263   1HH1  ARG  39          HH21      ARG  39   2.713  12.972  12.972
  264   2HH1  ARG  39          HH22      ARG  39   2.937  14.659  14.659
  265   1HH2  ARG  39          HH11      ARG  39   6.389  14.535  14.535
  266   2HH2  ARG  39          HH12      ARG  39   5.009  15.538  15.538
  267    H    GLY  40           HN       GLY  40   4.141   7.478   7.478
  268   1HA   GLY  40           HA2      GLY  40   5.138   6.300   6.300
  269   2HA   GLY  40           HA1      GLY  40   6.672   6.343   6.343
  270    H    VAL  41           HN       VAL  41   5.514   5.306   5.306
  271    HA   VAL  41           HA       VAL  41   5.510   2.466   2.466
  272    HB   VAL  41           HB       VAL  41   5.730   2.146   2.146
  273   1HG1  VAL  41          HG12      VAL  41   7.590   3.988   3.988
  274   2HG1  VAL  41          HG11      VAL  41   7.942   3.500   3.500
  275   3HG1  VAL  41          HG13      VAL  41   7.807   2.283   2.283
  276   1HG2  VAL  41          HG21      VAL  41   4.427   4.354   4.354
  277   2HG2  VAL  41          HG23      VAL  41   5.780   3.972   3.972
  278   3HG2  VAL  41          HG22      VAL  41   5.986   5.146   5.146
  279    HA   PRO  42           HA       PRO  42   1.170   1.947   1.947
  280   1HB   PRO  42           HB2      PRO  42   1.233  -0.584  -0.584
  281   2HB   PRO  42           HB1      PRO  42   1.254  -0.253  -0.253
  282   1HG   PRO  42           HG2      PRO  42   3.335  -1.363  -1.363
  283   2HG   PRO  42           HG1      PRO  42   3.363  -1.001  -1.001
  284   1HD   PRO  42           HD2      PRO  42   4.497   0.542   0.542
  285   2HD   PRO  42           HD1      PRO  42   4.905   0.596   0.596
  286    H    TRP  43           HN       TRP  43  -0.294   2.450   2.450
  287    HA   TRP  43           HA       TRP  43   0.858   2.893   2.893
  288   1HB   TRP  43           HB2      TRP  43  -1.910   3.479   3.479
  289   2HB   TRP  43           HB1      TRP  43  -1.290   4.013   4.013
  290    HD1  TRP  43           HD1      TRP  43   1.691   4.736   4.736
  291    HE1  TRP  43           HE1      TRP  43   1.946   6.928   6.928
  292    HE3  TRP  43           HE3      TRP  43  -3.178   5.545   5.545
  293    HZ2  TRP  43           HZ2      TRP  43   0.303   8.783   8.783
  294    HZ3  TRP  43           HZ3      TRP  43  -3.804   7.532   7.532
  295    HH2  TRP  43           HH2      TRP  43  -2.072   9.151   9.151
  296    H    CYS  44           HN       CYS  44  -1.866   0.982   0.982
  297    HA   CYS  44           HA       CYS  44  -2.281  -0.298  -0.298
  298   1HB   CYS  44           HB2      CYS  44  -4.160   0.359   0.359
  299   2HB   CYS  44           HB1      CYS  44  -3.629  -0.977  -0.977
  300    H    PHE  45           HN       PHE  45  -0.802  -1.877  -1.877
  301    HA   PHE  45           HA       PHE  45  -0.340  -3.976  -3.976
  302   1HB   PHE  45           HB2      PHE  45   2.040  -4.063  -4.063
  303   2HB   PHE  45           HB1      PHE  45   1.620  -2.445  -2.445
  304    HD1  PHE  45           HD2      PHE  45   0.851  -0.797  -0.797
  305    HD2  PHE  45           HD1      PHE  45   3.341  -4.258  -4.258
  306    HE1  PHE  45           HE2      PHE  45   1.757   0.148   0.148
  307    HE2  PHE  45           HE1      PHE  45   4.249  -3.319  -3.319
  308    HZ   PHE  45           HZ       PHE  45   3.460  -1.113  -1.113
  309    H    TYR  46           HN       TYR  46   1.014  -5.853  -5.853
  310    HA   TYR  46           HA       TYR  46  -0.750  -6.477  -6.477
  311   1HB   TYR  46           HB2      TYR  46   1.214  -8.055  -8.055
  312   2HB   TYR  46           HB1      TYR  46   0.587  -8.695  -8.695
  313    HD1  TYR  46           HD1      TYR  46  -1.935  -8.868  -8.868
  314    HD2  TYR  46           HD2      TYR  46  -0.100  -8.088  -8.088
  315    HE1  TYR  46           HE1      TYR  46  -4.028  -9.542  -9.542
  316    HE2  TYR  46           HE2      TYR  46  -2.193  -8.762  -8.762
  317    HH   TYR  46           HH       TYR  46  -4.191 -10.237 -10.237
  318    HA   PRO  47           HA       PRO  47   2.446  -5.820  -5.820
  319   1HB   PRO  47           HB2      PRO  47   1.490  -7.548  -7.548
  320   2HB   PRO  47           HB1      PRO  47   0.821  -5.947  -5.947
  321   1HG   PRO  47           HG2      PRO  47  -0.409  -8.492  -8.492
  322   2HG   PRO  47           HG1      PRO  47  -1.073  -6.888  -6.888
  323   1HD   PRO  47           HD2      PRO  47   0.179  -8.830  -8.830
  324   2HD   PRO  47           HD1      PRO  47  -0.943  -7.499  -7.499
  325    H    ASN  48           HN       ASN  48   3.937  -7.133  -7.133
  326    HA   ASN  48           HA       ASN  48   4.565  -9.835  -9.835
  327   1HB   ASN  48           HB2      ASN  48   6.423  -7.478  -7.478
  328   2HB   ASN  48           HB1      ASN  48   6.994  -9.147  -9.147
  329   1HD2  ASN  48          HD22      ASN  48   5.370  -7.712  -7.712
  330   2HD2  ASN  48          HD21      ASN  48   5.797  -6.726  -6.726
  331    H    THR  49           HN       THR  49   4.456 -10.747 -10.747
  332    HA   THR  49           HA       THR  49   5.224  -9.398  -9.398
  333    HB   THR  49           HB       THR  49   5.158 -11.721 -11.721
  334    HG1  THR  49           HG1      THR  49   4.687 -13.397 -13.397
  335   1HG2  THR  49          HG21      THR  49   3.139 -10.288 -10.288
  336   2HG2  THR  49          HG23      THR  49   2.820 -10.983 -10.983
  337   3HG2  THR  49          HG22      THR  49   2.752 -12.003 -12.003
  338    H    ILE  50           HN       ILE  50   7.361  -8.565  -8.565
  339    HA   ILE  50           HA       ILE  50   9.459 -10.637 -10.637
  340    HB   ILE  50           HB       ILE  50   9.663  -8.178  -8.178
  341   1HG1  ILE  50          HG12      ILE  50   9.421 -11.092 -11.092
  342   2HG1  ILE  50          HG11      ILE  50   8.082  -9.946  -9.946
  343   1HG2  ILE  50          HG23      ILE  50  11.504 -10.444 -10.444
  344   2HG2  ILE  50          HG22      ILE  50  11.678  -9.629  -9.629
  345   3HG2  ILE  50          HG21      ILE  50  11.845  -8.714  -8.714
  346   1HD1  ILE  50          HD11      ILE  50  10.645  -9.200  -9.200
  347   2HD1  ILE  50          HD13      ILE  50   9.571 -10.350 -10.350
  348   3HD1  ILE  50          HD12      ILE  50   8.991  -8.733  -8.733
  349    H    ASP  51           HN       ASP  51  11.517  -9.707  -9.707
  350    HA   ASP  51           HA       ASP  51  10.840  -7.571  -7.571
  351   1HB   ASP  51           HB2      ASP  51  11.862  -9.970  -9.970
  352   2HB   ASP  51           HB1      ASP  51  13.375  -9.146  -9.146
  353    H    VAL  52           HN       VAL  52  11.809  -5.577  -5.577
  354    HA   VAL  52           HA       VAL  52  14.321  -5.354  -5.354
  355    HB   VAL  52           HB       VAL  52  13.386  -3.415  -3.415
  356   1HG1  VAL  52          HG12      VAL  52  13.401  -5.925  -5.925
  357   2HG1  VAL  52          HG11      VAL  52  11.653  -5.814  -5.814
  358   3HG1  VAL  52          HG13      VAL  52  12.477  -4.757  -4.757
  359   1HG2  VAL  52          HG23      VAL  52  11.499  -3.045  -3.045
  360   2HG2  VAL  52          HG22      VAL  52  11.014  -3.009  -3.009
  361   3HG2  VAL  52          HG21      VAL  52  10.697  -4.442  -4.442
  362    HA   PRO  53           HA       PRO  53  15.894  -2.483  -2.483
  363   1HB   PRO  53           HB2      PRO  53  15.962  -0.269  -0.269
  364   2HB   PRO  53           HB1      PRO  53  17.307  -1.135  -1.135
  365   1HG   PRO  53           HG2      PRO  53  16.214  -1.446  -1.446
  366   2HG   PRO  53           HG1      PRO  53  17.665  -2.180  -2.180
  367   1HD   PRO  53           HD2      PRO  53  15.385  -3.582  -3.582
  368   2HD   PRO  53           HD1      PRO  53  16.574  -4.115  -4.115
  369    HA   PRO  54           HA       PRO  54  12.465   0.174   0.174
  370   1HB   PRO  54           HB2      PRO  54  13.772   1.586   1.586
  371   2HB   PRO  54           HB1      PRO  54  13.146  -0.060  -0.060
  372   1HG   PRO  54           HG2      PRO  54  15.873   0.803   0.803
  373   2HG   PRO  54           HG1      PRO  54  15.241  -0.839  -0.839
  374   1HD   PRO  54           HD2      PRO  54  16.358   0.454   0.454
  375   2HD   PRO  54           HD1      PRO  54  16.194  -1.272  -1.272
  376    H    GLU  55           HN       GLU  55  15.328   2.291   2.291
  377    HA   GLU  55           HA       GLU  55  13.933   4.528   4.528
  378   1HB   GLU  55           HB2      GLU  55  16.810   4.231   4.231
  379   2HB   GLU  55           HB1      GLU  55  16.034   5.749   5.749
  380   1HG   GLU  55           HG2      GLU  55  14.451   5.558   5.558
  381   2HG   GLU  55           HG1      GLU  55  15.020   3.931   3.931
  382    H    GLU  56           HN       GLU  56  13.993   5.096   5.096
  383    HA   GLU  56           HA       GLU  56  15.661   3.518   3.518
  384   1HB   GLU  56           HB2      GLU  56  13.176   4.338   4.338
  385   2HB   GLU  56           HB1      GLU  56  13.954   5.821   5.821
  386   1HG   GLU  56           HG2      GLU  56  15.202   4.600   4.600
  387   2HG   GLU  56           HG1      GLU  56  14.598   3.061   3.061
  388    H    GLU  57           HN       GLU  57  17.587   4.226   4.226
  389    HA   GLU  57           HA       GLU  57  18.660   6.762   6.762
  390   1HB   GLU  57           HB2      GLU  57  19.889   4.492   4.492
  391   2HB   GLU  57           HB1      GLU  57  19.908   5.087   5.087
  392   1HG   GLU  57           HG2      GLU  57  20.829   7.287   7.287
  393   2HG   GLU  57           HG1      GLU  57  21.196   6.288   6.288
  394    H    SER  58           HN       SER  58  19.597   8.350   8.350
  395    HA   SER  58           HA       SER  58  18.193   8.380   8.380
  396   1HB   SER  58           HB2      SER  58  17.984  10.549  10.549
  397   2HB   SER  58           HB1      SER  58  17.548  10.786  10.786
  398    HG   SER  58           HG       SER  58  16.339   8.615   8.615
  399    H    GLU  59           HN       GLU  59  19.155  10.007  10.007
  400    HA   GLU  59           HA       GLU  59  21.996  10.478  10.478
  401   1HB   GLU  59           HB2      GLU  59  20.614  10.407  10.407
  402   2HB   GLU  59           HB1      GLU  59  22.343  10.639  10.639
  403   1HG   GLU  59           HG2      GLU  59  20.840   8.213   8.213
  404   2HG   GLU  59           HG1      GLU  59  21.650   8.259   8.259
  405    H    PHE  60           HN       PHE  60  22.901  12.574  12.574
  406    HA   PHE  60           HA       PHE  60  20.891  14.732  14.732
  407   1HB   PHE  60           HB2      PHE  60  23.676  14.445  14.445
  408   2HB   PHE  60           HB1      PHE  60  23.100  16.053  16.053
  409    HD1  PHE  60           HD1      PHE  60  22.038  13.005  13.005
  410    HD2  PHE  60           HD2      PHE  60  21.837  17.279  17.279
  411    HE1  PHE  60           HE1      PHE  60  20.758  13.128  13.128
  412    HE2  PHE  60           HE2      PHE  60  20.558  17.403  17.403
  413    HZ   PHE  60           HZ       PHE  60  20.019  15.326  15.326

  Start of MODEL    9
    1   1H    GLU   1           HT3      GLU   1   7.613 -16.071 -16.071
    2   2H    GLU   1           HT2      GLU   1   8.787 -16.430 -16.430
    3   3H    GLU   1           HT1      GLU   1   8.049 -17.682 -17.682
    4    HA   GLU   1           HA       GLU   1   6.207 -17.679 -17.679
    5   1HB   GLU   1           HB2      GLU   1   6.727 -17.053 -17.053
    6   2HB   GLU   1           HB1      GLU   1   7.987 -18.034 -18.034
    7   1HG   GLU   1           HG2      GLU   1   8.290 -15.103 -15.103
    8   2HG   GLU   1           HG1      GLU   1   8.485 -15.704 -15.704
    9    H    ALA   2           HN       ALA   2   7.533 -14.495 -14.495
   10    HA   ALA   2           HA       ALA   2   4.835 -13.372 -13.372
   11   1HB   ALA   2           HB3      ALA   2   6.232 -13.139 -13.139
   12   2HB   ALA   2           HB2      ALA   2   7.092 -11.887 -11.887
   13   3HB   ALA   2           HB1      ALA   2   5.356 -11.740 -11.740
   14    H    GLN   3           HN       GLN   3   5.070 -13.220 -13.220
   15    HA   GLN   3           HA       GLN   3   6.903 -11.026 -11.026
   16   1HB   GLN   3           HB2      GLN   3   6.080 -13.477 -13.477
   17   2HB   GLN   3           HB1      GLN   3   7.040 -12.140 -12.140
   18   1HG   GLN   3           HG2      GLN   3   8.895 -12.674 -12.674
   19   2HG   GLN   3           HG1      GLN   3   7.926 -13.525 -13.525
   20   1HE2  GLN   3          HE22      GLN   3   8.697 -16.601 -16.601
   21   2HE2  GLN   3          HE21      GLN   3   8.494 -15.705 -15.705
   22    H    THR   4           HN       THR   4   5.723  -9.248  -9.248
   23    HA   THR   4           HA       THR   4   2.903  -9.566  -9.566
   24    HB   THR   4           HB       THR   4   3.222  -6.950  -6.950
   25    HG1  THR   4           HG1      THR   4   5.204  -6.415  -6.415
   26   1HG2  THR   4          HG23      THR   4   1.946  -8.161  -8.161
   27   2HG2  THR   4          HG22      THR   4   3.444  -8.371  -8.371
   28   3HG2  THR   4          HG21      THR   4   2.796  -6.752  -6.752
   29    H    GLU   5           HN       GLU   5   2.152  -8.083  -8.083
   30    HA   GLU   5           HA       GLU   5   3.779  -8.882  -8.882
   31   1HB   GLU   5           HB2      GLU   5   0.946  -7.922  -7.922
   32   2HB   GLU   5           HB1      GLU   5   1.695  -7.936  -7.936
   33   1HG   GLU   5           HG2      GLU   5   1.836 -10.250 -10.250
   34   2HG   GLU   5           HG1      GLU   5   1.896 -10.400 -10.400
   35    H    THR   6           HN       THR   6   4.623  -7.373  -7.373
   36    HA   THR   6           HA       THR   6   4.546  -4.550  -4.550
   37    HB   THR   6           HB       THR   6   6.788  -5.489  -5.489
   38    HG1  THR   6           HG1      THR   6   7.396  -4.186  -4.186
   39   1HG2  THR   6          HG22      THR   6   6.092  -6.602  -6.602
   40   2HG2  THR   6          HG21      THR   6   7.760  -6.070  -6.070
   41   3HG2  THR   6          HG23      THR   6   7.083  -7.288  -7.288
   42    H    CYS   7           HN       CYS   7   4.274  -2.922  -2.922
   43    HA   CYS   7           HA       CYS   7   3.223  -3.989  -3.989
   44   1HB   CYS   7           HB2      CYS   7   2.706  -1.352  -1.352
   45   2HB   CYS   7           HB1      CYS   7   2.026  -1.816  -1.816
   46    H    THR   8           HN       THR   8   5.713  -2.022  -2.022
   47    HA   THR   8           HA       THR   8   6.327  -0.436  -0.436
   48    HB   THR   8           HB       THR   8   7.110   0.270   0.270
   49    HG1  THR   8           HG1      THR   8   8.924   0.933   0.933
   50   1HG2  THR   8          HG22      THR   8   7.798  -2.524  -2.524
   51   2HG2  THR   8          HG21      THR   8   9.214  -1.526  -1.526
   52   3HG2  THR   8          HG23      THR   8   7.731  -1.282  -1.282
   53    H    VAL   9           HN       VAL   9   6.707  -1.567  -1.567
   54    HA   VAL   9           HA       VAL   9   8.749  -3.718  -3.718
   55    HB   VAL   9           HB       VAL   9   6.612  -3.284  -3.284
   56   1HG1  VAL   9          HG13      VAL   9   8.858  -5.219  -5.219
   57   2HG1  VAL   9          HG12      VAL   9   7.356  -5.829  -5.829
   58   3HG1  VAL   9          HG11      VAL   9   8.230  -4.520  -4.520
   59   1HG2  VAL   9          HG22      VAL   9   6.746  -5.061  -5.061
   60   2HG2  VAL   9          HG21      VAL   9   5.453  -3.961  -3.961
   61   3HG2  VAL   9          HG23      VAL   9   5.718  -5.456  -5.456
   62    H    ALA  10           HN       ALA  10   9.991  -3.859  -3.859
   63    HA   ALA  10           HA       ALA  10  11.155  -1.257  -1.257
   64   1HB   ALA  10           HB2      ALA  10  11.646  -3.959  -3.959
   65   2HB   ALA  10           HB1      ALA  10  12.593  -2.515  -2.515
   66   3HB   ALA  10           HB3      ALA  10  12.602  -3.196  -3.196
   67    HA   PRO  11           HA       PRO  11   8.137   0.204   0.204
   68   1HB   PRO  11           HB2      PRO  11  10.462   1.495   1.495
   69   2HB   PRO  11           HB1      PRO  11   8.996   2.222   2.222
   70   1HG   PRO  11           HG2      PRO  11  11.573   2.064   2.064
   71   2HG   PRO  11           HG1      PRO  11  10.094   2.750   2.750
   72   1HD   PRO  11           HD2      PRO  11  11.402   0.460   0.460
   73   2HD   PRO  11           HD1      PRO  11   9.738   0.930   0.930
   74    H    ARG  12           HN       ARG  12  11.356  -1.067  -1.067
   75    HA   ARG  12           HA       ARG  12  10.523  -1.644  -1.644
   76   1HB   ARG  12           HB2      ARG  12  12.940  -2.380  -2.380
   77   2HB   ARG  12           HB1      ARG  12  12.713  -2.973  -2.973
   78   1HG   ARG  12           HG2      ARG  12  12.347  -0.049  -0.049
   79   2HG   ARG  12           HG1      ARG  12  13.996  -0.669  -0.669
   80   1HD   ARG  12           HD2      ARG  12  12.206  -1.464  -1.464
   81   2HD   ARG  12           HD1      ARG  12  13.061   0.078   0.078
   82    HE   ARG  12           HE       ARG  12  14.273  -2.584  -2.584
   83   1HH1  ARG  12          HH11      ARG  12  14.667   0.855   0.855
   84   2HH1  ARG  12          HH12      ARG  12  16.348   0.846   0.846
   85   1HH2  ARG  12          HH21      ARG  12  16.475  -2.573  -2.573
   86   2HH2  ARG  12          HH22      ARG  12  17.367  -1.087  -1.087
   87    H    GLU  13           HN       GLU  13  10.990  -3.566  -3.566
   88    HA   GLU  13           HA       GLU  13   9.821  -5.894  -5.894
   89   1HB   GLU  13           HB2      GLU  13  11.419  -5.591  -5.591
   90   2HB   GLU  13           HB1      GLU  13  10.575  -7.086  -7.086
   91   1HG   GLU  13           HG2      GLU  13  11.809  -6.828  -6.828
   92   2HG   GLU  13           HG1      GLU  13  12.903  -5.791  -5.791
   93    H    ARG  14           HN       ARG  14   7.937  -3.952  -3.952
   94    HA   ARG  14           HA       ARG  14   6.633  -4.554  -4.554
   95   1HB   ARG  14           HB2      ARG  14   6.292  -2.484  -2.484
   96   2HB   ARG  14           HB1      ARG  14   4.928  -2.852  -2.852
   97   1HG   ARG  14           HG2      ARG  14   6.792  -2.631  -2.631
   98   2HG   ARG  14           HG1      ARG  14   7.563  -1.617  -1.617
   99   1HD   ARG  14           HD2      ARG  14   5.301  -0.425  -0.425
  100   2HD   ARG  14           HD1      ARG  14   4.849  -1.255  -1.255
  101    HE   ARG  14           HE       ARG  14   7.309  -0.055  -0.055
  102   1HH1  ARG  14          HH11      ARG  14   4.102   0.926   0.926
  103   2HH1  ARG  14          HH12      ARG  14   4.210   2.481   2.481
  104   1HH2  ARG  14          HH21      ARG  14   7.430   1.987   1.987
  105   2HH2  ARG  14          HH22      ARG  14   6.088   3.078   3.078
  106    H    GLN  15           HN       GLN  15   4.538  -5.520  -5.520
  107    HA   GLN  15           HA       GLN  15   3.893  -7.203  -7.203
  108   1HB   GLN  15           HB2      GLN  15   3.034  -7.156  -7.156
  109   2HB   GLN  15           HB1      GLN  15   2.163  -8.117  -8.117
  110   1HG   GLN  15           HG2      GLN  15   5.150  -8.307  -8.307
  111   2HG   GLN  15           HG1      GLN  15   3.959  -9.407  -9.407
  112   1HE2  GLN  15          HE22      GLN  15   5.188  -9.982  -9.982
  113   2HE2  GLN  15          HE21      GLN  15   5.905  -8.833  -8.833
  114    H    ASN  16           HN       ASN  16   2.659  -6.130  -6.130
  115    HA   ASN  16           HA       ASN  16   0.947  -3.946  -3.946
  116   1HB   ASN  16           HB2      ASN  16   1.942  -4.676  -4.676
  117   2HB   ASN  16           HB1      ASN  16   0.585  -5.798  -5.798
  118   1HD2  ASN  16          HD22      ASN  16  -0.227  -2.305  -2.305
  119   2HD2  ASN  16          HD21      ASN  16   1.180  -3.239  -3.239
  120    H    CYS  17           HN       CYS  17  -1.021  -3.968  -3.968
  121    HA   CYS  17           HA       CYS  17  -2.443  -6.550  -6.550
  122   1HB   CYS  17           HB2      CYS  17  -1.904  -5.246  -5.246
  123   2HB   CYS  17           HB1      CYS  17  -2.967  -3.968  -3.968
  124    H    GLY  18           HN       GLY  18  -2.562  -3.460  -3.460
  125   1HA   GLY  18           HA2      GLY  18  -4.696  -4.134  -4.134
  126   2HA   GLY  18           HA1      GLY  18  -5.365  -3.193  -3.193
  127    H    PHE  19           HN       PHE  19  -5.738  -1.822  -1.822
  128    HA   PHE  19           HA       PHE  19  -3.502  -0.385  -0.385
  129   1HB   PHE  19           HB2      PHE  19  -5.311   1.257   1.257
  130   2HB   PHE  19           HB1      PHE  19  -5.445  -0.397  -0.397
  131    HD1  PHE  19           HD1      PHE  19  -7.071  -1.981  -1.981
  132    HD2  PHE  19           HD2      PHE  19  -7.021   2.234   2.234
  133    HE1  PHE  19           HE1      PHE  19  -9.360  -2.140  -2.140
  134    HE2  PHE  19           HE2      PHE  19  -9.312   2.069   2.069
  135    HZ   PHE  19           HZ       PHE  19 -10.479  -0.116  -0.116
  136    HA   PRO  20           HA       PRO  20  -2.935   2.741   2.741
  137   1HB   PRO  20           HB2      PRO  20  -2.346   4.940   4.940
  138   2HB   PRO  20           HB1      PRO  20  -1.210   3.673   3.673
  139   1HG   PRO  20           HG2      PRO  20  -2.256   4.221   4.221
  140   2HG   PRO  20           HG1      PRO  20  -1.097   2.972   2.972
  141   1HD   PRO  20           HD2      PRO  20  -3.961   2.712   2.712
  142   2HD   PRO  20           HD1      PRO  20  -2.720   1.450   1.450
  143    H    GLY  21           HN       GLY  21  -5.211   3.619   3.619
  144   1HA   GLY  21           HA2      GLY  21  -6.267   5.983   5.983
  145   2HA   GLY  21           HA1      GLY  21  -7.170   4.855   4.855
  146    H    VAL  22           HN       VAL  22  -6.355   2.801   2.801
  147    HA   VAL  22           HA       VAL  22  -8.881   2.787   2.787
  148    HB   VAL  22           HB       VAL  22  -7.779   1.227   1.227
  149   1HG1  VAL  22          HG12      VAL  22  -8.657   0.528   0.528
  150   2HG1  VAL  22          HG11      VAL  22  -6.998   0.634   0.634
  151   3HG1  VAL  22          HG13      VAL  22  -7.413  -0.525  -0.525
  152   1HG2  VAL  22          HG21      VAL  22  -5.345   2.173   2.173
  153   2HG2  VAL  22          HG23      VAL  22  -5.578   2.048   2.048
  154   3HG2  VAL  22          HG22      VAL  22  -5.373   0.589   0.589
  155    H    THR  23           HN       THR  23  -9.080   2.960   2.960
  156    HA   THR  23           HA       THR  23  -7.438   5.206   5.206
  157    HB   THR  23           HB       THR  23  -9.632   6.014   6.014
  158    HG1  THR  23           HG1      THR  23 -10.941   4.292   4.292
  159   1HG2  THR  23          HG23      THR  23  -8.895   6.204   6.204
  160   2HG2  THR  23          HG22      THR  23 -10.375   6.980   6.980
  161   3HG2  THR  23          HG21      THR  23  -8.819   7.443   7.443
  162    HA   PRO  24           HA       PRO  24  -6.614   3.189   3.189
  163   1HB   PRO  24           HB2      PRO  24  -8.345   5.067   5.067
  164   2HB   PRO  24           HB1      PRO  24  -6.597   4.813   4.813
  165   1HG   PRO  24           HG2      PRO  24  -8.006   6.872   6.872
  166   2HG   PRO  24           HG1      PRO  24  -6.260   6.666   6.666
  167   1HD   PRO  24           HD2      PRO  24  -7.581   6.399   6.399
  168   2HD   PRO  24           HD1      PRO  24  -6.014   5.651   5.651
  169    H    SER  25           HN       SER  25  -9.997   4.064   4.064
  170    HA   SER  25           HA       SER  25 -11.122   2.228   2.228
  171   1HB   SER  25           HB2      SER  25 -12.525   3.305   3.305
  172   2HB   SER  25           HB1      SER  25 -13.225   2.857   2.857
  173    HG   SER  25           HG       SER  25 -11.285   4.715   4.715
  174    H    GLN  26           HN       GLN  26 -10.811   2.197   2.197
  175    HA   GLN  26           HA       GLN  26 -11.861  -0.412  -0.412
  176   1HB   GLN  26           HB2      GLN  26 -10.110   1.397   1.397
  177   2HB   GLN  26           HB1      GLN  26 -10.375  -0.269  -0.269
  178   1HG   GLN  26           HG2      GLN  26 -12.893   0.245   0.245
  179   2HG   GLN  26           HG1      GLN  26 -12.401   1.938   1.938
  180   1HE2  GLN  26          HE22      GLN  26 -11.382   1.803   1.803
  181   2HE2  GLN  26          HE21      GLN  26 -10.950   2.519   2.519
  182    H    CYS  27           HN       CYS  27  -8.496   0.763   0.763
  183    HA   CYS  27           HA       CYS  27  -7.264  -1.782  -1.782
  184   1HB   CYS  27           HB2      CYS  27  -6.161   0.544   0.544
  185   2HB   CYS  27           HB1      CYS  27  -6.232   0.444   0.444
  186    H    ALA  28           HN       ALA  28  -8.894  -0.181  -0.181
  187    HA   ALA  28           HA       ALA  28  -7.937  -2.135  -2.135
  188   1HB   ALA  28           HB1      ALA  28  -9.745   0.263   0.263
  189   2HB   ALA  28           HB3      ALA  28  -9.790  -0.901  -0.901
  190   3HB   ALA  28           HB2      ALA  28  -8.289  -0.060  -0.060
  191    H    ASN  29           HN       ASN  29 -10.399  -2.000  -2.000
  192    HA   ASN  29           HA       ASN  29 -12.272  -3.684  -3.684
  193   1HB   ASN  29           HB2      ASN  29 -12.840  -1.850  -1.850
  194   2HB   ASN  29           HB1      ASN  29 -12.441  -3.107  -3.107
  195   1HD2  ASN  29          HD22      ASN  29 -15.751  -3.608  -3.608
  196   2HD2  ASN  29          HD21      ASN  29 -14.517  -2.555  -2.555
  197    H    LYS  30           HN       LYS  30  -9.663  -4.000  -4.000
  198    HA   LYS  30           HA       LYS  30 -10.405  -6.762  -6.762
  199   1HB   LYS  30           HB2      LYS  30  -9.226  -4.911  -4.911
  200   2HB   LYS  30           HB1      LYS  30  -7.774  -5.595  -5.595
  201   1HG   LYS  30           HG2      LYS  30  -8.078  -7.663  -7.663
  202   2HG   LYS  30           HG1      LYS  30  -9.832  -7.487  -7.487
  203   1HD   LYS  30           HD2      LYS  30  -9.282  -5.539  -5.539
  204   2HD   LYS  30           HD1      LYS  30  -7.746  -6.389  -6.389
  205   1HE   LYS  30           HE2      LYS  30  -9.421  -7.146  -7.146
  206   2HE   LYS  30           HE1      LYS  30  -8.923  -8.452  -8.452
  207   1HZ   LYS  30           HZ3      LYS  30 -11.078  -7.033  -7.033
  208   2HZ   LYS  30           HZ2      LYS  30 -11.466  -7.543  -7.543
  209   3HZ   LYS  30           HZ1      LYS  30 -10.970  -8.675  -8.675
  210    H    GLY  31           HN       GLY  31  -8.097  -4.959  -4.959
  211   1HA   GLY  31           HA2      GLY  31  -7.276  -6.008  -6.008
  212   2HA   GLY  31           HA1      GLY  31  -7.257  -7.548  -7.548
  213    H    CYS  32           HN       CYS  32  -6.030  -4.349  -4.349
  214    HA   CYS  32           HA       CYS  32  -3.310  -5.534  -5.534
  215   1HB   CYS  32           HB2      CYS  32  -4.829  -4.124  -4.124
  216   2HB   CYS  32           HB1      CYS  32  -3.072  -3.976  -3.976
  217    H    CYS  33           HN       CYS  33  -1.587  -4.004  -4.004
  218    HA   CYS  33           HA       CYS  33  -2.327  -1.805  -1.805
  219   1HB   CYS  33           HB2      CYS  33   0.362  -2.465  -2.465
  220   2HB   CYS  33           HB1      CYS  33   0.081  -1.382  -1.382
  221    H    PHE  34           HN       PHE  34  -2.545   0.358   0.358
  222    HA   PHE  34           HA       PHE  34  -2.102   1.044   1.044
  223   1HB   PHE  34           HB2      PHE  34  -4.431   1.281   1.281
  224   2HB   PHE  34           HB1      PHE  34  -3.816   2.479   2.479
  225    HD1  PHE  34           HD2      PHE  34  -4.536   1.756   1.756
  226    HD2  PHE  34           HD1      PHE  34  -3.058   4.673   4.673
  227    HE1  PHE  34           HE2      PHE  34  -4.715   3.511   3.511
  228    HE2  PHE  34           HE1      PHE  34  -3.236   6.427   6.427
  229    HZ   PHE  34           HZ       PHE  34  -4.065   5.847   5.847
  230    H    ASP  35           HN       ASP  35  -0.412   2.406   2.406
  231    HA   ASP  35           HA       ASP  35   0.423   4.302   4.302
  232   1HB   ASP  35           HB2      ASP  35   1.838   2.125   2.125
  233   2HB   ASP  35           HB1      ASP  35   2.463   2.788   2.788
  234    H    ASP  36           HN       ASP  36   0.310   6.306   6.306
  235    HA   ASP  36           HA       ASP  36   0.912   6.519   6.519
  236   1HB   ASP  36           HB2      ASP  36  -0.447   8.655   8.655
  237   2HB   ASP  36           HB1      ASP  36  -1.368   7.173   7.173
  238    H    THR  37           HN       THR  37   3.226   6.509   6.509
  239    HA   THR  37           HA       THR  37   3.918   9.173   9.173
  240    HB   THR  37           HB       THR  37   6.203   8.036   8.036
  241    HG1  THR  37           HG1      THR  37   5.292   5.579   5.579
  242   1HG2  THR  37          HG22      THR  37   4.201   8.281   8.281
  243   2HG2  THR  37          HG21      THR  37   4.099   6.531   6.531
  244   3HG2  THR  37          HG23      THR  37   5.589   7.267   7.267
  245    H    VAL  38           HN       VAL  38   5.576   6.914   6.914
  246    HA   VAL  38           HA       VAL  38   6.422   9.262   9.262
  247    HB   VAL  38           HB       VAL  38   7.256   6.359   6.359
  248   1HG1  VAL  38          HG13      VAL  38   8.038   8.938   8.938
  249   2HG1  VAL  38          HG12      VAL  38   9.302   7.745   7.745
  250   3HG1  VAL  38          HG11      VAL  38   7.913   7.324   7.324
  251   1HG2  VAL  38          HG21      VAL  38   8.179   8.595   8.595
  252   2HG2  VAL  38          HG23      VAL  38   8.140   6.861   6.861
  253   3HG2  VAL  38          HG22      VAL  38   9.409   7.543   7.543
  254    H    ARG  39           HN       ARG  39   6.136   9.267   9.267
  255    HA   ARG  39           HA       ARG  39   3.621   7.955   7.955
  256   1HB   ARG  39           HB2      ARG  39   4.052  10.427  10.427
  257   2HB   ARG  39           HB1      ARG  39   5.258   9.949   9.949
  258   1HG   ARG  39           HG2      ARG  39   3.678   9.130   9.130
  259   2HG   ARG  39           HG1      ARG  39   2.537   8.726   8.726
  260   1HD   ARG  39           HD2      ARG  39   1.551  10.601  10.601
  261   2HD   ARG  39           HD1      ARG  39   2.370  11.290  11.290
  262    HE   ARG  39           HE       ARG  39   3.283  11.489  11.489
  263   1HH1  ARG  39          HH21      ARG  39   3.603  12.290  12.290
  264   2HH1  ARG  39          HH22      ARG  39   4.711  13.591  13.591
  265   1HH2  ARG  39          HH11      ARG  39   4.736  13.197  13.197
  266   2HH2  ARG  39          HH12      ARG  39   5.349  14.101  14.101
  267    H    GLY  40           HN       GLY  40   3.694   7.342   7.342
  268   1HA   GLY  40           HA2      GLY  40   4.696   6.101   6.101
  269   2HA   GLY  40           HA1      GLY  40   6.223   6.177   6.177
  270    H    VAL  41           HN       VAL  41   5.430   5.115   5.115
  271    HA   VAL  41           HA       VAL  41   5.227   2.291   2.291
  272    HB   VAL  41           HB       VAL  41   5.605   1.956   1.956
  273   1HG1  VAL  41          HG11      VAL  41   7.405   3.588   3.588
  274   2HG1  VAL  41          HG13      VAL  41   7.863   3.370   3.370
  275   3HG1  VAL  41          HG12      VAL  41   7.641   1.965   1.965
  276   1HG2  VAL  41          HG23      VAL  41   4.430   4.151   4.151
  277   2HG2  VAL  41          HG22      VAL  41   5.931   3.824   3.824
  278   3HG2  VAL  41          HG21      VAL  41   5.919   4.965   4.965
  279    HA   PRO  42           HA       PRO  42   0.967   1.848   1.848
  280   1HB   PRO  42           HB2      PRO  42   1.079  -0.743  -0.743
  281   2HB   PRO  42           HB1      PRO  42   0.966  -0.319  -0.319
  282   1HG   PRO  42           HG2      PRO  42   3.145  -1.551  -1.551
  283   2HG   PRO  42           HG1      PRO  42   3.049  -1.072  -1.072
  284   1HD   PRO  42           HD2      PRO  42   4.357   0.314   0.314
  285   2HD   PRO  42           HD1      PRO  42   4.667   0.454   0.454
  286    H    TRP  43           HN       TRP  43  -0.318   2.342   2.342
  287    HA   TRP  43           HA       TRP  43   1.024   2.530   2.530
  288   1HB   TRP  43           HB2      TRP  43  -1.826   3.263   3.263
  289   2HB   TRP  43           HB1      TRP  43  -0.931   3.780   3.780
  290    HD1  TRP  43           HD1      TRP  43   1.817   4.520   4.520
  291    HE1  TRP  43           HE1      TRP  43   1.927   6.644   6.644
  292    HE3  TRP  43           HE3      TRP  43  -3.155   5.191   5.191
  293    HZ2  TRP  43           HZ2      TRP  43   0.145   8.397   8.397
  294    HZ3  TRP  43           HZ3      TRP  43  -3.918   7.094   7.094
  295    HH2  TRP  43           HH2      TRP  43  -2.276   8.697   8.697
  296    H    CYS  44           HN       CYS  44  -1.951   0.970   0.970
  297    HA   CYS  44           HA       CYS  44  -2.365  -0.521  -0.521
  298   1HB   CYS  44           HB2      CYS  44  -4.166   0.205   0.205
  299   2HB   CYS  44           HB1      CYS  44  -3.588  -1.100  -1.100
  300    H    PHE  45           HN       PHE  45  -0.739  -1.990  -1.990
  301    HA   PHE  45           HA       PHE  45  -0.236  -4.064  -4.064
  302   1HB   PHE  45           HB2      PHE  45   2.178  -4.095  -4.095
  303   2HB   PHE  45           HB1      PHE  45   1.733  -2.732  -2.732
  304    HD1  PHE  45           HD2      PHE  45   1.797  -3.721  -3.721
  305    HD2  PHE  45           HD1      PHE  45   2.214  -0.571  -0.571
  306    HE1  PHE  45           HE2      PHE  45   2.440  -2.150  -2.150
  307    HE2  PHE  45           HE1      PHE  45   2.859   1.000   1.000
  308    HZ   PHE  45           HZ       PHE  45   2.972   0.210   0.210
  309    H    TYR  46           HN       TYR  46   1.197  -5.894  -5.894
  310    HA   TYR  46           HA       TYR  46  -0.488  -6.599  -6.599
  311   1HB   TYR  46           HB2      TYR  46   1.444  -8.138  -8.138
  312   2HB   TYR  46           HB1      TYR  46   0.783  -8.815  -8.815
  313    HD1  TYR  46           HD2      TYR  46  -1.671  -9.154  -9.154
  314    HD2  TYR  46           HD1      TYR  46   0.089  -7.879  -7.879
  315    HE1  TYR  46           HE2      TYR  46  -3.757  -9.759  -9.759
  316    HE2  TYR  46           HE1      TYR  46  -1.996  -8.483  -8.483
  317    HH   TYR  46           HH       TYR  46  -4.019 -10.324 -10.324
  318    HA   PRO  47           HA       PRO  47   2.864  -6.021  -6.021
  319   1HB   PRO  47           HB2      PRO  47   1.965  -7.751  -7.751
  320   2HB   PRO  47           HB1      PRO  47   1.307  -6.134  -6.134
  321   1HG   PRO  47           HG2      PRO  47   0.020  -8.659  -8.659
  322   2HG   PRO  47           HG1      PRO  47  -0.634  -7.039  -7.039
  323   1HD   PRO  47           HD2      PRO  47   0.493  -8.970  -8.970
  324   2HD   PRO  47           HD1      PRO  47  -0.620  -7.613  -7.613
  325    H    ASN  48           HN       ASN  48   3.980  -7.796  -7.796
  326    HA   ASN  48           HA       ASN  48   4.731 -10.266 -10.266
  327   1HB   ASN  48           HB2      ASN  48   6.510  -7.863  -7.863
  328   2HB   ASN  48           HB1      ASN  48   7.242  -9.450  -9.450
  329   1HD2  ASN  48          HD22      ASN  48   6.334  -8.322  -8.322
  330   2HD2  ASN  48          HD21      ASN  48   6.399  -7.252  -7.252
  331    H    THR  49           HN       THR  49   4.733 -11.715 -11.715
  332    HA   THR  49           HA       THR  49   4.848 -10.912 -10.912
  333    HB   THR  49           HB       THR  49   5.292 -13.492 -13.492
  334    HG1  THR  49           HG1      THR  49   4.124 -13.733 -13.733
  335   1HG2  THR  49          HG23      THR  49   3.122 -12.167 -12.167
  336   2HG2  THR  49          HG22      THR  49   2.735 -12.644 -12.644
  337   3HG2  THR  49          HG21      THR  49   2.947 -13.874 -13.874
  338    H    ILE  50           HN       ILE  50   6.774  -9.785  -9.785
  339    HA   ILE  50           HA       ILE  50   9.239 -11.428 -11.428
  340    HB   ILE  50           HB       ILE  50   9.073  -8.421  -8.421
  341   1HG1  ILE  50          HG12      ILE  50   9.655 -10.538 -10.538
  342   2HG1  ILE  50          HG11      ILE  50   8.072  -9.786  -9.786
  343   1HG2  ILE  50          HG23      ILE  50  11.297 -10.459 -10.459
  344   2HG2  ILE  50          HG22      ILE  50  11.455  -8.931  -8.931
  345   3HG2  ILE  50          HG21      ILE  50  11.215  -8.931  -8.931
  346   1HD1  ILE  50          HD11      ILE  50   9.186  -7.543  -7.543
  347   2HD1  ILE  50          HD13      ILE  50  10.671  -8.398  -8.398
  348   3HD1  ILE  50          HD12      ILE  50   9.242  -8.565  -8.565
  349    H    ASP  51           HN       ASP  51  10.952 -10.522 -10.522
  350    HA   ASP  51           HA       ASP  51   9.709 -10.390 -10.390
  351   1HB   ASP  51           HB2      ASP  51  12.069 -10.163 -10.163
  352   2HB   ASP  51           HB1      ASP  51  11.832 -11.552 -11.552
  353    H    VAL  52           HN       VAL  52  11.057  -8.565  -8.565
  354    HA   VAL  52           HA       VAL  52   9.998  -6.044  -6.044
  355    HB   VAL  52           HB       VAL  52  10.602  -5.194  -5.194
  356   1HG1  VAL  52          HG12      VAL  52   8.970  -7.735  -7.735
  357   2HG1  VAL  52          HG11      VAL  52   8.999  -6.731  -6.731
  358   3HG1  VAL  52          HG13      VAL  52   8.383  -6.072  -6.072
  359   1HG2  VAL  52          HG21      VAL  52  12.546  -6.737  -6.737
  360   2HG2  VAL  52          HG23      VAL  52  11.418  -6.773  -6.773
  361   3HG2  VAL  52          HG22      VAL  52  11.413  -8.079  -8.079
  362    HA   PRO  53           HA       PRO  53  13.581  -4.182  -4.182
  363   1HB   PRO  53           HB2      PRO  53  13.399  -1.967  -1.967
  364   2HB   PRO  53           HB1      PRO  53  13.191  -1.951  -1.951
  365   1HG   PRO  53           HG2      PRO  53  11.172  -1.974  -1.974
  366   2HG   PRO  53           HG1      PRO  53  10.972  -1.840  -1.840
  367   1HD   PRO  53           HD2      PRO  53  10.170  -4.020  -4.020
  368   2HD   PRO  53           HD1      PRO  53  10.543  -4.075  -4.075
  369    HA   PRO  54           HA       PRO  54  17.363  -5.257  -5.257
  370   1HB   PRO  54           HB2      PRO  54  18.276  -2.463  -2.463
  371   2HB   PRO  54           HB1      PRO  54  18.958  -3.899  -3.899
  372   1HG   PRO  54           HG2      PRO  54  17.271  -1.880  -1.880
  373   2HG   PRO  54           HG1      PRO  54  18.027  -3.270  -3.270
  374   1HD   PRO  54           HD2      PRO  54  15.306  -2.984  -2.984
  375   2HD   PRO  54           HD1      PRO  54  16.128  -4.541  -4.541
  376    H    GLU  55           HN       GLU  55  16.256  -1.964  -1.964
  377    HA   GLU  55           HA       GLU  55  16.550  -2.860  -2.860
  378   1HB   GLU  55           HB2      GLU  55  17.261  -0.169  -0.169
  379   2HB   GLU  55           HB1      GLU  55  17.223  -0.508  -0.508
  380   1HG   GLU  55           HG2      GLU  55  18.836  -2.450  -2.450
  381   2HG   GLU  55           HG1      GLU  55  19.070  -1.663  -1.663
  382    H    GLU  56           HN       GLU  56  15.038  -1.817  -1.817
  383    HA   GLU  56           HA       GLU  56  12.537  -1.055  -1.055
  384   1HB   GLU  56           HB2      GLU  56  13.256  -2.176  -2.176
  385   2HB   GLU  56           HB1      GLU  56  11.783  -1.214  -1.214
  386   1HG   GLU  56           HG2      GLU  56  12.324  -3.378  -3.378
  387   2HG   GLU  56           HG1      GLU  56  11.670  -3.803  -3.803
  388    H    GLU  57           HN       GLU  57  12.665   1.146   1.146
  389    HA   GLU  57           HA       GLU  57  12.784   2.940   2.940
  390   1HB   GLU  57           HB2      GLU  57  15.110   2.593   2.593
  391   2HB   GLU  57           HB1      GLU  57  14.406   3.720   3.720
  392   1HG   GLU  57           HG2      GLU  57  13.928   5.300   5.300
  393   2HG   GLU  57           HG1      GLU  57  14.710   4.188   4.188
  394    H    SER  58           HN       SER  58  10.714   3.756   3.756
  395    HA   SER  58           HA       SER  58  10.223   5.242   5.242
  396   1HB   SER  58           HB2      SER  58   7.895   4.299   4.299
  397   2HB   SER  58           HB1      SER  58   9.149   3.113   3.113
  398    HG   SER  58           HG       SER  58   8.114   2.063   2.063
  399    H    GLU  59           HN       GLU  59   9.083   7.153   7.153
  400    HA   GLU  59           HA       GLU  59   8.332   7.647   7.647
  401   1HB   GLU  59           HB2      GLU  59   8.478  10.059  10.059
  402   2HB   GLU  59           HB1      GLU  59  10.003   9.196   9.196
  403   1HG   GLU  59           HG2      GLU  59   9.373   8.825   8.825
  404   2HG   GLU  59           HG1      GLU  59   8.014   9.922   9.922
  405    H    PHE  60           HN       PHE  60   6.296   8.751   8.751
  406    HA   PHE  60           HA       PHE  60   4.352   8.527   8.527
  407   1HB   PHE  60           HB2      PHE  60   3.853   8.017   8.017
  408   2HB   PHE  60           HB1      PHE  60   2.661   7.883   7.883
  409    HD1  PHE  60           HD2      PHE  60   2.964   6.149   6.149
  410    HD2  PHE  60           HD1      PHE  60   5.424   6.267   6.267
  411    HE1  PHE  60           HE2      PHE  60   3.688   3.816   3.816
  412    HE2  PHE  60           HE1      PHE  60   6.148   3.935   3.935
  413    HZ   PHE  60           HZ       PHE  60   5.280   2.709   2.709

  Start of MODEL   10
    1   1H    GLU   1           HT3      GLU   1   3.894 -13.646 -13.646
    2   2H    GLU   1           HT2      GLU   1   4.828 -14.706 -14.706
    3   3H    GLU   1           HT1      GLU   1   4.145 -15.240 -15.240
    4    HA   GLU   1           HA       GLU   1   5.626 -14.126 -14.126
    5   1HB   GLU   1           HB2      GLU   1   6.806 -15.204 -15.204
    6   2HB   GLU   1           HB1      GLU   1   7.871 -14.295 -14.295
    7   1HG   GLU   1           HG2      GLU   1   6.092 -16.490 -16.490
    8   2HG   GLU   1           HG1      GLU   1   7.685 -16.845 -16.845
    9    H    ALA   2           HN       ALA   2   6.361 -12.933 -12.933
   10    HA   ALA   2           HA       ALA   2   5.907 -10.192 -10.192
   11   1HB   ALA   2           HB3      ALA   2   8.074 -10.570 -10.570
   12   2HB   ALA   2           HB2      ALA   2   8.768 -11.121 -11.121
   13   3HB   ALA   2           HB1      ALA   2   8.249  -9.444  -9.444
   14    H    GLN   3           HN       GLN   3   4.996 -11.930 -11.930
   15    HA   GLN   3           HA       GLN   3   6.427 -10.863 -10.863
   16   1HB   GLN   3           HB2      GLN   3   4.775 -13.299 -13.299
   17   2HB   GLN   3           HB1      GLN   3   4.759 -12.621 -12.621
   18   1HG   GLN   3           HG2      GLN   3   6.545 -14.218 -14.218
   19   2HG   GLN   3           HG1      GLN   3   7.302 -12.626 -12.626
   20   1HE2  GLN   3          HE22      GLN   3   7.593 -15.128 -15.128
   21   2HE2  GLN   3          HE21      GLN   3   6.596 -15.528 -15.528
   22    H    THR   4           HN       THR   4   5.362  -9.492  -9.492
   23    HA   THR   4           HA       THR   4   2.465  -9.087  -9.087
   24    HB   THR   4           HB       THR   4   2.898  -6.583  -6.583
   25    HG1  THR   4           HG1      THR   4   5.310  -7.369  -7.369
   26   1HG2  THR   4          HG21      THR   4   2.346  -7.915  -7.915
   27   2HG2  THR   4          HG23      THR   4   4.075  -7.935  -7.935
   28   3HG2  THR   4          HG22      THR   4   3.207  -6.401  -6.401
   29    H    GLU   5           HN       GLU   5   1.716  -7.436  -7.436
   30    HA   GLU   5           HA       GLU   5   2.793  -8.492  -8.492
   31   1HB   GLU   5           HB2      GLU   5   0.389  -6.843  -6.843
   32   2HB   GLU   5           HB1      GLU   5   0.886  -6.987  -6.987
   33   1HG   GLU   5           HG2      GLU   5   0.592  -9.454  -9.454
   34   2HG   GLU   5           HG1      GLU   5  -0.832  -8.711  -8.711
   35    H    THR   6           HN       THR   6   3.859  -7.238  -7.238
   36    HA   THR   6           HA       THR   6   4.332  -4.395  -4.395
   37    HB   THR   6           HB       THR   6   6.568  -6.048  -6.048
   38    HG1  THR   6           HG1      THR   6   7.163  -6.669  -6.669
   39   1HG2  THR   6          HG21      THR   6   6.341  -3.418  -3.418
   40   2HG2  THR   6          HG23      THR   6   6.869  -3.927  -3.927
   41   3HG2  THR   6          HG22      THR   6   7.872  -4.273  -4.273
   42    H    CYS   7           HN       CYS   7   4.185  -3.058  -3.058
   43    HA   CYS   7           HA       CYS   7   3.787  -4.402  -4.402
   44   1HB   CYS   7           HB2      CYS   7   3.019  -1.598  -1.598
   45   2HB   CYS   7           HB1      CYS   7   2.595  -2.367  -2.367
   46    H    THR   8           HN       THR   8   6.440  -3.772  -3.772
   47    HA   THR   8           HA       THR   8   7.477  -1.505  -1.505
   48    HB   THR   8           HB       THR   8   8.437  -2.057  -2.057
   49    HG1  THR   8           HG1      THR   8   9.888  -1.182  -1.182
   50   1HG2  THR   8          HG23      THR   8   7.963  -4.607  -4.607
   51   2HG2  THR   8          HG22      THR   8   9.606  -4.585  -4.585
   52   3HG2  THR   8          HG21      THR   8   9.306  -4.138  -4.138
   53    H    VAL   9           HN       VAL   9   7.948  -1.641  -1.641
   54    HA   VAL   9           HA       VAL   9   9.292  -4.049  -4.049
   55    HB   VAL   9           HB       VAL   9   6.765  -2.986  -2.986
   56   1HG1  VAL   9          HG13      VAL   9   8.771  -5.127  -5.127
   57   2HG1  VAL   9          HG12      VAL   9   7.095  -5.311  -5.311
   58   3HG1  VAL   9          HG11      VAL   9   8.040  -3.925  -3.925
   59   1HG2  VAL   9          HG21      VAL   9   7.274  -5.453  -5.453
   60   2HG2  VAL   9          HG23      VAL   9   6.159  -4.133  -4.133
   61   3HG2  VAL   9          HG22      VAL   9   5.832  -5.225  -5.225
   62    H    ALA  10           HN       ALA  10  10.398  -3.643  -3.643
   63    HA   ALA  10           HA       ALA  10  11.148  -0.846  -0.846
   64   1HB   ALA  10           HB2      ALA  10  12.576  -3.111  -3.111
   65   2HB   ALA  10           HB1      ALA  10  12.089  -2.901  -2.901
   66   3HB   ALA  10           HB3      ALA  10  12.996  -1.631  -1.631
   67    HA   PRO  11           HA       PRO  11   8.476   0.750   0.750
   68   1HB   PRO  11           HB2      PRO  11  10.793   1.061   1.061
   69   2HB   PRO  11           HB1      PRO  11   9.721   2.295   2.295
   70   1HG   PRO  11           HG2      PRO  11  12.332   1.527   1.527
   71   2HG   PRO  11           HG1      PRO  11  11.276   2.793   2.793
   72   1HD   PRO  11           HD2      PRO  11  11.958   0.482   0.482
   73   2HD   PRO  11           HD1      PRO  11  10.521   1.469   1.469
   74    H    ARG  12           HN       ARG  12  11.153  -1.022  -1.022
   75    HA   ARG  12           HA       ARG  12   9.386  -2.067  -2.067
   76   1HB   ARG  12           HB2      ARG  12  11.378  -3.492  -3.492
   77   2HB   ARG  12           HB1      ARG  12  11.711  -1.762  -1.762
   78   1HG   ARG  12           HG2      ARG  12  13.133  -1.946  -1.946
   79   2HG   ARG  12           HG1      ARG  12  12.106  -3.115  -3.115
   80   1HD   ARG  12           HD2      ARG  12  13.783  -4.567  -4.567
   81   2HD   ARG  12           HD1      ARG  12  12.948  -4.623  -4.623
   82    HE   ARG  12           HE       ARG  12  14.646  -3.262  -3.262
   83   1HH1  ARG  12          HH11      ARG  12  15.012  -3.705  -3.705
   84   2HH1  ARG  12          HH12      ARG  12  16.632  -3.090  -3.090
   85   1HH2  ARG  12          HH21      ARG  12  16.767  -2.459  -2.459
   86   2HH2  ARG  12          HH22      ARG  12  17.620  -2.388  -2.388
   87    H    GLU  13           HN       GLU  13  10.548  -3.231  -3.231
   88    HA   GLU  13           HA       GLU  13   9.629  -5.944  -5.944
   89   1HB   GLU  13           HB2      GLU  13  10.762  -4.434  -4.434
   90   2HB   GLU  13           HB1      GLU  13   9.995  -6.002  -6.002
   91   1HG   GLU  13           HG2      GLU  13  11.498  -6.957  -6.957
   92   2HG   GLU  13           HG1      GLU  13  12.333  -5.404  -5.404
   93    H    ARG  14           HN       ARG  14   7.928  -3.145  -3.145
   94    HA   ARG  14           HA       ARG  14   6.026  -3.894  -3.894
   95   1HB   ARG  14           HB2      ARG  14   6.026  -1.831  -1.831
   96   2HB   ARG  14           HB1      ARG  14   4.652  -2.054  -2.054
   97   1HG   ARG  14           HG2      ARG  14   6.473  -1.866  -1.866
   98   2HG   ARG  14           HG1      ARG  14   7.417  -1.069  -1.069
   99   1HD   ARG  14           HD2      ARG  14   5.801   0.652   0.652
  100   2HD   ARG  14           HD1      ARG  14   4.576  -0.252  -0.252
  101    HE   ARG  14           HE       ARG  14   6.602   0.099   0.099
  102   1HH1  ARG  14          HH11      ARG  14   4.737   2.195   2.195
  103   2HH1  ARG  14          HH12      ARG  14   4.826   3.550   3.550
  104   1HH2  ARG  14          HH21      ARG  14   6.703   1.887   1.887
  105   2HH2  ARG  14          HH22      ARG  14   5.934   3.375   3.375
  106    H    GLN  15           HN       GLN  15   4.278  -5.245  -5.245
  107    HA   GLN  15           HA       GLN  15   3.807  -6.467  -6.467
  108   1HB   GLN  15           HB2      GLN  15   2.657  -6.993  -6.993
  109   2HB   GLN  15           HB1      GLN  15   2.198  -7.892  -7.892
  110   1HG   GLN  15           HG2      GLN  15   5.113  -7.635  -7.635
  111   2HG   GLN  15           HG1      GLN  15   4.189  -8.704  -8.704
  112   1HE2  GLN  15          HE21      GLN  15   5.115  -8.153  -8.153
  113   2HE2  GLN  15          HE22      GLN  15   4.731  -9.719  -9.719
  114    H    ASN  16           HN       ASN  16   2.524  -5.254  -5.254
  115    HA   ASN  16           HA       ASN  16   0.719  -3.256  -3.256
  116   1HB   ASN  16           HB2      ASN  16   1.689  -3.685  -3.685
  117   2HB   ASN  16           HB1      ASN  16   0.417  -4.891  -4.891
  118   1HD2  ASN  16          HD22      ASN  16  -0.638  -1.307  -1.307
  119   2HD2  ASN  16          HD21      ASN  16   0.852  -2.084  -2.084
  120    H    CYS  17           HN       CYS  17  -0.935  -3.724  -3.724
  121    HA   CYS  17           HA       CYS  17  -2.419  -6.229  -6.229
  122   1HB   CYS  17           HB2      CYS  17  -1.760  -4.792  -4.792
  123   2HB   CYS  17           HB1      CYS  17  -3.303  -4.022  -4.022
  124    H    GLY  18           HN       GLY  18  -2.575  -3.020  -3.020
  125   1HA   GLY  18           HA2      GLY  18  -4.816  -3.503  -3.503
  126   2HA   GLY  18           HA1      GLY  18  -5.364  -2.617  -2.617
  127    H    PHE  19           HN       PHE  19  -5.521  -1.398  -1.398
  128    HA   PHE  19           HA       PHE  19  -3.265   0.137   0.137
  129   1HB   PHE  19           HB2      PHE  19  -5.034   1.728   1.728
  130   2HB   PHE  19           HB1      PHE  19  -5.031   0.074   0.074
  131    HD1  PHE  19           HD2      PHE  19  -6.707  -1.576  -1.576
  132    HD2  PHE  19           HD1      PHE  19  -6.930   2.640   2.640
  133    HE1  PHE  19           HE2      PHE  19  -9.080  -1.829  -1.829
  134    HE2  PHE  19           HE1      PHE  19  -9.312   2.384   2.384
  135    HZ   PHE  19           HZ       PHE  19 -10.381   0.150   0.150
  136    HA   PRO  20           HA       PRO  20  -3.095   3.316   3.316
  137   1HB   PRO  20           HB2      PRO  20  -2.485   5.542   5.542
  138   2HB   PRO  20           HB1      PRO  20  -1.331   4.343   4.343
  139   1HG   PRO  20           HG2      PRO  20  -2.158   4.816   4.816
  140   2HG   PRO  20           HG1      PRO  20  -0.984   3.635   3.635
  141   1HD   PRO  20           HD2      PRO  20  -3.755   3.214   3.214
  142   2HD   PRO  20           HD1      PRO  20  -2.470   2.022   2.022
  143    H    GLY  21           HN       GLY  21  -5.174   4.090   4.090
  144   1HA   GLY  21           HA2      GLY  21  -6.459   6.366   6.366
  145   2HA   GLY  21           HA1      GLY  21  -7.159   5.278   5.278
  146    H    VAL  22           HN       VAL  22  -6.415   3.192   3.192
  147    HA   VAL  22           HA       VAL  22  -9.083   2.782   2.782
  148    HB   VAL  22           HB       VAL  22  -8.058   1.386   1.386
  149   1HG1  VAL  22          HG13      VAL  22  -6.857   1.064   1.064
  150   2HG1  VAL  22          HG12      VAL  22  -6.950  -0.200  -0.200
  151   3HG1  VAL  22          HG11      VAL  22  -8.427   0.454   0.454
  152   1HG2  VAL  22          HG21      VAL  22  -5.552   2.674   2.674
  153   2HG2  VAL  22          HG23      VAL  22  -6.094   2.605   2.605
  154   3HG2  VAL  22          HG22      VAL  22  -5.507   1.145   1.145
  155    H    THR  23           HN       THR  23  -9.282   2.649   2.649
  156    HA   THR  23           HA       THR  23  -8.460   5.255   5.255
  157    HB   THR  23           HB       THR  23 -10.943   5.325   5.325
  158    HG1  THR  23           HG1      THR  23 -11.336   3.269   3.269
  159   1HG2  THR  23          HG21      THR  23  -9.759   6.964   6.964
  160   2HG2  THR  23          HG23      THR  23 -10.393   6.038   6.038
  161   3HG2  THR  23          HG22      THR  23 -11.500   6.843   6.843
  162    HA   PRO  24           HA       PRO  24  -7.488   3.383   3.383
  163   1HB   PRO  24           HB2      PRO  24  -9.682   4.816   4.816
  164   2HB   PRO  24           HB1      PRO  24  -7.935   4.949   4.949
  165   1HG   PRO  24           HG2      PRO  24  -9.663   6.671   6.671
  166   2HG   PRO  24           HG1      PRO  24  -7.933   6.852   6.852
  167   1HD   PRO  24           HD2      PRO  24  -8.991   6.340   6.340
  168   2HD   PRO  24           HD1      PRO  24  -7.327   5.953   5.953
  169    H    SER  25           HN       SER  25 -10.933   3.544   3.544
  170    HA   SER  25           HA       SER  25 -11.741   1.449   1.449
  171   1HB   SER  25           HB2      SER  25 -13.243   3.268   3.268
  172   2HB   SER  25           HB1      SER  25 -13.196   2.379   2.379
  173    HG   SER  25           HG       SER  25 -13.700   0.736   0.736
  174    H    GLN  26           HN       GLN  26 -11.199   1.622   1.622
  175    HA   GLN  26           HA       GLN  26 -11.731  -1.115  -1.115
  176   1HB   GLN  26           HB2      GLN  26 -10.132   0.995   0.995
  177   2HB   GLN  26           HB1      GLN  26 -10.216  -0.660  -0.660
  178   1HG   GLN  26           HG2      GLN  26 -12.596  -0.548  -0.548
  179   2HG   GLN  26           HG1      GLN  26 -12.683   0.961   0.961
  180   1HE2  GLN  26          HE22      GLN  26 -12.169   1.150   1.150
  181   2HE2  GLN  26          HE21      GLN  26 -12.674  -0.248  -0.248
  182    H    CYS  27           HN       CYS  27  -8.700   0.615   0.615
  183    HA   CYS  27           HA       CYS  27  -7.025  -1.685  -1.685
  184   1HB   CYS  27           HB2      CYS  27  -6.421   0.869   0.869
  185   2HB   CYS  27           HB1      CYS  27  -6.399   0.574   0.574
  186    H    ALA  28           HN       ALA  28  -9.090  -0.441  -0.441
  187    HA   ALA  28           HA       ALA  28  -7.925  -2.288  -2.288
  188   1HB   ALA  28           HB3      ALA  28  -8.636   0.030   0.030
  189   2HB   ALA  28           HB2      ALA  28 -10.300  -0.427  -0.427
  190   3HB   ALA  28           HB1      ALA  28  -9.428  -1.230  -1.230
  191    H    ASN  29           HN       ASN  29 -10.218  -2.458  -2.458
  192    HA   ASN  29           HA       ASN  29 -12.313  -3.935  -3.935
  193   1HB   ASN  29           HB2      ASN  29 -12.164  -2.889  -2.889
  194   2HB   ASN  29           HB1      ASN  29 -11.368  -4.397  -4.397
  195   1HD2  ASN  29          HD22      ASN  29 -15.190  -4.596  -4.596
  196   2HD2  ASN  29          HD21      ASN  29 -14.117  -3.370  -3.370
  197    H    LYS  30           HN       LYS  30  -9.378  -5.061  -5.061
  198    HA   LYS  30           HA       LYS  30  -9.905  -7.801  -7.801
  199   1HB   LYS  30           HB2      LYS  30  -7.762  -6.556  -6.556
  200   2HB   LYS  30           HB1      LYS  30  -7.782  -8.264  -8.264
  201   1HG   LYS  30           HG2      LYS  30  -9.059  -8.521  -8.521
  202   2HG   LYS  30           HG1      LYS  30 -10.365  -7.886  -7.886
  203   1HD   LYS  30           HD2      LYS  30 -10.543  -6.275  -6.275
  204   2HD   LYS  30           HD1      LYS  30  -9.112  -5.575  -5.575
  205   1HE   LYS  30           HE2      LYS  30  -9.165  -7.487  -7.487
  206   2HE   LYS  30           HE1      LYS  30  -8.709  -5.786  -5.786
  207   1HZ   LYS  30           HZ3      LYS  30  -6.952  -6.366  -6.366
  208   2HZ   LYS  30           HZ2      LYS  30  -7.323  -8.004  -8.004
  209   3HZ   LYS  30           HZ1      LYS  30  -6.753  -7.042  -7.042
  210    H    GLY  31           HN       GLY  31  -7.516  -5.188  -5.188
  211   1HA   GLY  31           HA2      GLY  31  -6.798  -5.088  -5.088
  212   2HA   GLY  31           HA1      GLY  31  -6.421  -6.800  -6.800
  213    H    CYS  32           HN       CYS  32  -5.841  -4.712  -4.712
  214    HA   CYS  32           HA       CYS  32  -3.018  -5.338  -5.338
  215   1HB   CYS  32           HB2      CYS  32  -4.352  -3.289  -3.289
  216   2HB   CYS  32           HB1      CYS  32  -2.873  -4.188  -4.188
  217    H    CYS  33           HN       CYS  33  -1.345  -4.003  -4.003
  218    HA   CYS  33           HA       CYS  33  -1.961  -1.861  -1.861
  219   1HB   CYS  33           HB2      CYS  33   0.672  -2.481  -2.481
  220   2HB   CYS  33           HB1      CYS  33   0.458  -1.490  -1.490
  221    H    PHE  34           HN       PHE  34  -1.948   0.383   0.383
  222    HA   PHE  34           HA       PHE  34  -1.729   1.230   1.230
  223   1HB   PHE  34           HB2      PHE  34  -3.959   1.501   1.501
  224   2HB   PHE  34           HB1      PHE  34  -3.159   2.691   2.691
  225    HD1  PHE  34           HD2      PHE  34  -1.898   4.622   4.622
  226    HD2  PHE  34           HD1      PHE  34  -4.837   2.146   2.146
  227    HE1  PHE  34           HE2      PHE  34  -2.210   6.350   6.350
  228    HE2  PHE  34           HE1      PHE  34  -5.148   3.873   3.873
  229    HZ   PHE  34           HZ       PHE  34  -3.834   5.975   5.975
  230    H    ASP  35           HN       ASP  35  -0.390   3.023   3.023
  231    HA   ASP  35           HA       ASP  35   0.788   4.616   4.616
  232   1HB   ASP  35           HB2      ASP  35   2.086   2.395   2.395
  233   2HB   ASP  35           HB1      ASP  35   2.688   2.918   2.918
  234    H    ASP  36           HN       ASP  36   0.733   6.610   6.610
  235    HA   ASP  36           HA       ASP  36   1.231   6.770   6.770
  236   1HB   ASP  36           HB2      ASP  36   0.183   9.060   9.060
  237   2HB   ASP  36           HB1      ASP  36  -0.903   7.719   7.719
  238    H    THR  37           HN       THR  37   3.598   6.418   6.418
  239    HA   THR  37           HA       THR  37   4.755   8.886   8.886
  240    HB   THR  37           HB       THR  37   6.909   7.424   7.424
  241    HG1  THR  37           HG1      THR  37   5.067   5.328   5.328
  242   1HG2  THR  37          HG22      THR  37   4.692   6.776   6.776
  243   2HG2  THR  37          HG21      THR  37   6.349   6.197   6.197
  244   3HG2  THR  37          HG23      THR  37   6.008   7.926   7.926
  245    H    VAL  38           HN       VAL  38   5.407   6.772   6.772
  246    HA   VAL  38           HA       VAL  38   6.249   9.234   9.234
  247    HB   VAL  38           HB       VAL  38   7.240   6.404   6.404
  248   1HG1  VAL  38          HG13      VAL  38   7.895   9.105   9.105
  249   2HG1  VAL  38          HG12      VAL  38   9.048   7.770   7.770
  250   3HG1  VAL  38          HG11      VAL  38   7.474   7.612   7.612
  251   1HG2  VAL  38          HG23      VAL  38   8.313   8.718   8.718
  252   2HG2  VAL  38          HG22      VAL  38   8.179   7.020   7.020
  253   3HG2  VAL  38          HG21      VAL  38   9.408   7.524   7.524
  254    H    ARG  39           HN       ARG  39   5.514   9.463   9.463
  255    HA   ARG  39           HA       ARG  39   3.099   7.948   7.948
  256   1HB   ARG  39           HB2      ARG  39   2.976   9.495   9.495
  257   2HB   ARG  39           HB1      ARG  39   3.087  10.344  10.344
  258   1HG   ARG  39           HG2      ARG  39   5.329  10.949  10.949
  259   2HG   ARG  39           HG1      ARG  39   5.580   9.687   9.687
  260   1HD   ARG  39           HD2      ARG  39   3.478  11.648  11.648
  261   2HD   ARG  39           HD1      ARG  39   5.111  12.308  12.308
  262    HE   ARG  39           HE       ARG  39   5.629  10.238  10.238
  263   1HH1  ARG  39          HH21      ARG  39   2.738  12.189  12.189
  264   2HH1  ARG  39          HH22      ARG  39   2.387  11.910  11.910
  265   1HH2  ARG  39          HH11      ARG  39   5.151   9.887   9.887
  266   2HH2  ARG  39          HH12      ARG  39   3.748  10.613  10.613
  267    H    GLY  40           HN       GLY  40   3.024   7.574   7.574
  268   1HA   GLY  40           HA2      GLY  40   3.930   6.413   6.413
  269   2HA   GLY  40           HA1      GLY  40   5.496   6.422   6.422
  270    H    VAL  41           HN       VAL  41   4.773   5.241   5.241
  271    HA   VAL  41           HA       VAL  41   4.414   2.462   2.462
  272    HB   VAL  41           HB       VAL  41   5.073   1.952   1.952
  273   1HG1  VAL  41          HG12      VAL  41   6.808   3.785   3.785
  274   2HG1  VAL  41          HG11      VAL  41   7.403   2.986   2.986
  275   3HG1  VAL  41          HG13      VAL  41   6.857   2.024   2.024
  276   1HG2  VAL  41          HG22      VAL  41   4.108   4.108   4.108
  277   2HG2  VAL  41          HG21      VAL  41   5.735   3.739   3.739
  278   3HG2  VAL  41          HG23      VAL  41   5.497   4.946   4.946
  279    HA   PRO  42           HA       PRO  42   0.323   2.159   2.159
  280   1HB   PRO  42           HB2      PRO  42   0.400  -0.476  -0.476
  281   2HB   PRO  42           HB1      PRO  42   0.112   0.030   0.030
  282   1HG   PRO  42           HG2      PRO  42   2.363  -1.372  -1.372
  283   2HG   PRO  42           HG1      PRO  42   2.087  -0.833  -0.833
  284   1HD   PRO  42           HD2      PRO  42   3.752   0.394   0.394
  285   2HD   PRO  42           HD1      PRO  42   3.829   0.596   0.596
  286    H    TRP  43           HN       TRP  43  -0.349   3.112   3.112
  287    HA   TRP  43           HA       TRP  43   1.170   2.882   2.882
  288   1HB   TRP  43           HB2      TRP  43  -1.651   3.941   3.941
  289   2HB   TRP  43           HB1      TRP  43  -0.535   4.306   4.306
  290    HD1  TRP  43           HD1      TRP  43   2.081   4.872   4.872
  291    HE1  TRP  43           HE1      TRP  43   2.248   6.995   6.995
  292    HE3  TRP  43           HE3      TRP  43  -2.881   5.938   5.938
  293    HZ2  TRP  43           HZ2      TRP  43   0.510   8.894   8.894
  294    HZ3  TRP  43           HZ3      TRP  43  -3.596   7.908   7.908
  295    HH2  TRP  43           HH2      TRP  43  -1.907   9.387   9.387
  296    H    CYS  44           HN       CYS  44  -1.637   1.266   1.266
  297    HA   CYS  44           HA       CYS  44  -2.261  -0.075  -0.075
  298   1HB   CYS  44           HB2      CYS  44  -3.987   0.726   0.726
  299   2HB   CYS  44           HB1      CYS  44  -3.446  -0.614  -0.614
  300    H    PHE  45           HN       PHE  45  -0.551  -1.537  -1.537
  301    HA   PHE  45           HA       PHE  45  -0.125  -3.614  -3.614
  302   1HB   PHE  45           HB2      PHE  45   2.238  -3.717  -3.717
  303   2HB   PHE  45           HB1      PHE  45   1.827  -2.065  -2.065
  304    HD1  PHE  45           HD1      PHE  45   0.959  -0.590  -0.590
  305    HD2  PHE  45           HD2      PHE  45   3.539  -4.015  -4.015
  306    HE1  PHE  45           HE1      PHE  45   1.804   0.196   0.196
  307    HE2  PHE  45           HE2      PHE  45   4.386  -3.229  -3.229
  308    HZ   PHE  45           HZ       PHE  45   3.518  -1.123  -1.123
  309    H    TYR  46           HN       TYR  46   1.009  -5.629  -5.629
  310    HA   TYR  46           HA       TYR  46  -0.755  -6.439  -6.439
  311   1HB   TYR  46           HB2      TYR  46   1.388  -7.745  -7.745
  312   2HB   TYR  46           HB1      TYR  46   0.882  -8.509  -8.509
  313    HD1  TYR  46           HD1      TYR  46  -1.624  -8.956  -8.956
  314    HD2  TYR  46           HD2      TYR  46   0.082  -7.947  -7.947
  315    HE1  TYR  46           HE1      TYR  46  -3.627  -9.871  -9.871
  316    HE2  TYR  46           HE2      TYR  46  -1.921  -8.861  -8.861
  317    HH   TYR  46           HH       TYR  46  -4.157  -9.434  -9.434
  318    HA   PRO  47           HA       PRO  47   2.141  -5.838  -5.838
  319   1HB   PRO  47           HB2      PRO  47   1.353  -7.938  -7.938
  320   2HB   PRO  47           HB1      PRO  47   0.485  -6.404  -6.404
  321   1HG   PRO  47           HG2      PRO  47  -0.360  -9.006  -9.006
  322   2HG   PRO  47           HG1      PRO  47  -1.222  -7.469  -7.469
  323   1HD   PRO  47           HD2      PRO  47   0.351  -8.955  -8.955
  324   2HD   PRO  47           HD1      PRO  47  -0.910  -7.728  -7.728
  325    H    ASN  48           HN       ASN  48   3.621  -7.294  -7.294
  326    HA   ASN  48           HA       ASN  48   4.819  -9.550  -9.550
  327   1HB   ASN  48           HB2      ASN  48   6.061  -6.898  -6.898
  328   2HB   ASN  48           HB1      ASN  48   7.073  -8.291  -8.291
  329   1HD2  ASN  48          HD22      ASN  48   7.887  -8.632  -8.632
  330   2HD2  ASN  48          HD21      ASN  48   8.416  -8.601  -8.601
  331    H    THR  49           HN       THR  49   4.575 -11.141 -11.141
  332    HA   THR  49           HA       THR  49   4.665 -10.529 -10.529
  333    HB   THR  49           HB       THR  49   4.719 -13.155 -13.155
  334    HG1  THR  49           HG1      THR  49   4.119 -14.090 -14.090
  335   1HG2  THR  49          HG23      THR  49   2.491 -11.363 -11.363
  336   2HG2  THR  49          HG22      THR  49   2.219 -13.093 -13.093
  337   3HG2  THR  49          HG21      THR  49   2.721 -12.106 -12.106
  338    H    ILE  50           HN       ILE  50   6.672  -9.884  -9.884
  339    HA   ILE  50           HA       ILE  50   8.925 -11.740 -11.740
  340    HB   ILE  50           HB       ILE  50   9.118  -8.732  -8.732
  341   1HG1  ILE  50          HG12      ILE  50   9.509 -10.375 -10.375
  342   2HG1  ILE  50          HG11      ILE  50   8.023  -9.500  -9.500
  343   1HG2  ILE  50          HG23      ILE  50  11.092 -10.042 -10.042
  344   2HG2  ILE  50          HG22      ILE  50  11.166 -10.811 -10.811
  345   3HG2  ILE  50          HG21      ILE  50  11.451  -9.077  -9.077
  346   1HD1  ILE  50          HD13      ILE  50   9.368  -7.398  -7.398
  347   2HD1  ILE  50          HD12      ILE  50  10.789  -8.302  -8.302
  348   3HD1  ILE  50          HD11      ILE  50   9.423  -8.102  -8.102
  349    H    ASP  51           HN       ASP  51  10.380 -12.051 -12.051
  350    HA   ASP  51           HA       ASP  51   9.094 -11.724 -11.724
  351   1HB   ASP  51           HB2      ASP  51  10.453 -13.751 -13.751
  352   2HB   ASP  51           HB1      ASP  51  11.889 -12.740 -12.740
  353    H    VAL  52           HN       VAL  52  10.696 -10.961 -10.961
  354    HA   VAL  52           HA       VAL  52  12.302  -8.659  -8.659
  355    HB   VAL  52           HB       VAL  52  11.250  -7.253  -7.253
  356   1HG1  VAL  52          HG12      VAL  52  10.530  -7.294  -7.294
  357   2HG1  VAL  52          HG11      VAL  52   9.171  -8.292  -8.292
  358   3HG1  VAL  52          HG13      VAL  52   9.349  -6.652  -6.652
  359   1HG2  VAL  52          HG22      VAL  52   9.694  -9.779  -9.779
  360   2HG2  VAL  52          HG21      VAL  52  10.205  -8.596  -8.596
  361   3HG2  VAL  52          HG23      VAL  52   8.817  -8.260  -8.260
  362    HA   PRO  53           HA       PRO  53  14.547 -10.832 -10.832
  363   1HB   PRO  53           HB2      PRO  53  16.885 -11.078 -11.078
  364   2HB   PRO  53           HB1      PRO  53  15.590 -12.284 -12.284
  365   1HG   PRO  53           HG2      PRO  53  16.426 -10.668 -10.668
  366   2HG   PRO  53           HG1      PRO  53  15.130 -11.873 -11.873
  367   1HD   PRO  53           HD2      PRO  53  14.949  -8.927  -8.927
  368   2HD   PRO  53           HD1      PRO  53  13.709 -10.102 -10.102
  369    HA   PRO  54           HA       PRO  54  17.021  -7.268  -7.268
  370   1HB   PRO  54           HB2      PRO  54  18.422  -8.467  -8.467
  371   2HB   PRO  54           HB1      PRO  54  16.730  -7.957  -7.957
  372   1HG   PRO  54           HG2      PRO  54  17.785 -10.621 -10.621
  373   2HG   PRO  54           HG1      PRO  54  16.098 -10.102 -10.102
  374   1HD   PRO  54           HD2      PRO  54  17.531 -11.127 -11.127
  375   2HD   PRO  54           HD1      PRO  54  15.789 -11.086 -11.086
  376    H    GLU  55           HN       GLU  55  18.601 -10.240 -10.240
  377    HA   GLU  55           HA       GLU  55  21.227  -8.898  -8.898
  378   1HB   GLU  55           HB2      GLU  55  20.278 -11.727 -11.727
  379   2HB   GLU  55           HB1      GLU  55  21.763 -11.363 -11.363
  380   1HG   GLU  55           HG2      GLU  55  22.553 -11.840 -11.840
  381   2HG   GLU  55           HG1      GLU  55  22.445 -10.079 -10.079
  382    H    GLU  56           HN       GLU  56  22.399  -8.738  -8.738
  383    HA   GLU  56           HA       GLU  56  20.645  -8.923  -8.923
  384   1HB   GLU  56           HB2      GLU  56  22.174  -7.194  -7.194
  385   2HB   GLU  56           HB1      GLU  56  21.315  -6.629  -6.629
  386   1HG   GLU  56           HG2      GLU  56  23.920  -7.948  -7.948
  387   2HG   GLU  56           HG1      GLU  56  24.007  -6.399  -6.399
  388    H    GLU  57           HN       GLU  57  21.550  -9.843  -9.843
  389    HA   GLU  57           HA       GLU  57  23.739 -11.718 -11.718
  390   1HB   GLU  57           HB2      GLU  57  21.504 -12.220 -12.220
  391   2HB   GLU  57           HB1      GLU  57  22.299 -11.445 -11.445
  392   1HG   GLU  57           HG2      GLU  57  24.128 -13.029 -13.029
  393   2HG   GLU  57           HG1      GLU  57  23.511 -13.728 -13.728
  394    H    SER  58           HN       SER  58  25.472 -11.946 -11.946
  395    HA   SER  58           HA       SER  58  26.673  -9.368  -9.368
  396   1HB   SER  58           HB2      SER  58  27.417 -12.214 -12.214
  397   2HB   SER  58           HB1      SER  58  28.339 -10.866 -10.866
  398    HG   SER  58           HG       SER  58  27.819 -11.419 -11.419
  399    H    GLU  59           HN       GLU  59  25.880  -8.071  -8.071
  400    HA   GLU  59           HA       GLU  59  25.155  -9.395  -9.395
  401   1HB   GLU  59           HB2      GLU  59  24.070  -6.818  -6.818
  402   2HB   GLU  59           HB1      GLU  59  23.595  -7.526  -7.526
  403   1HG   GLU  59           HG2      GLU  59  22.848  -9.575  -9.575
  404   2HG   GLU  59           HG1      GLU  59  23.217  -8.766  -8.766
  405    H    PHE  60           HN       PHE  60  25.466  -7.875  -7.875
  406    HA   PHE  60           HA       PHE  60  27.888  -6.210  -6.210
  407   1HB   PHE  60           HB2      PHE  60  27.161  -8.176  -8.176
  408   2HB   PHE  60           HB1      PHE  60  28.184  -6.799  -6.799
  409    HD1  PHE  60           HD2      PHE  60  30.011  -6.316  -6.316
  410    HD2  PHE  60           HD1      PHE  60  28.324 -10.117 -10.117
  411    HE1  PHE  60           HE2      PHE  60  31.965  -7.467  -7.467
  412    HE2  PHE  60           HE1      PHE  60  30.279 -11.268 -11.268
  413    HZ   PHE  60           HZ       PHE  60  32.100  -9.944  -9.944

  Start of MODEL   11
    1   1H    GLU   1           HT2      GLU   1   8.997 -18.474 -18.474
    2   2H    GLU   1           HT1      GLU   1  10.110 -19.572 -19.572
    3   3H    GLU   1           HT3      GLU   1  10.112 -17.957 -17.957
    4    HA   GLU   1           HA       GLU   1   9.043 -19.014 -19.014
    5   1HB   GLU   1           HB2      GLU   1   7.817 -20.652 -20.652
    6   2HB   GLU   1           HB1      GLU   1   7.135 -20.645 -20.645
    7   1HG   GLU   1           HG2      GLU   1  10.054 -21.230 -21.230
    8   2HG   GLU   1           HG1      GLU   1   8.825 -22.494 -22.494
    9    H    ALA   2           HN       ALA   2   8.522 -16.654 -16.654
   10    HA   ALA   2           HA       ALA   2   5.626 -16.334 -16.334
   11   1HB   ALA   2           HB3      ALA   2   6.500 -16.264 -16.264
   12   2HB   ALA   2           HB2      ALA   2   7.144 -14.682 -14.682
   13   3HB   ALA   2           HB1      ALA   2   5.409 -14.986 -14.986
   14    H    GLN   3           HN       GLN   3   5.415 -15.121 -15.121
   15    HA   GLN   3           HA       GLN   3   7.481 -13.151 -13.151
   16   1HB   GLN   3           HB2      GLN   3   4.961 -13.935 -13.935
   17   2HB   GLN   3           HB1      GLN   3   6.283 -12.952 -12.952
   18   1HG   GLN   3           HG2      GLN   3   7.828 -14.819 -14.819
   19   2HG   GLN   3           HG1      GLN   3   6.598 -15.805 -15.805
   20   1HE2  GLN   3          HE22      GLN   3   4.629 -15.902 -15.902
   21   2HE2  GLN   3          HE21      GLN   3   4.343 -15.405 -15.405
   22    H    THR   4           HN       THR   4   6.869 -10.895 -10.895
   23    HA   THR   4           HA       THR   4   4.563 -10.007 -10.007
   24    HB   THR   4           HB       THR   4   5.769  -7.917  -7.917
   25    HG1  THR   4           HG1      THR   4   7.130  -7.399  -7.399
   26   1HG2  THR   4          HG21      THR   4   6.309  -9.938  -9.938
   27   2HG2  THR   4          HG23      THR   4   7.722 -10.194 -10.194
   28   3HG2  THR   4          HG22      THR   4   7.582  -8.719  -8.719
   29    H    GLU   5           HN       GLU   5   3.860  -7.653  -7.653
   30    HA   GLU   5           HA       GLU   5   3.082  -8.072  -8.072
   31   1HB   GLU   5           HB2      GLU   5   2.394  -5.920  -5.920
   32   2HB   GLU   5           HB1      GLU   5   1.733  -5.990  -5.990
   33   1HG   GLU   5           HG2      GLU   5   0.646  -8.082  -8.082
   34   2HG   GLU   5           HG1      GLU   5   1.511  -8.288  -8.288
   35    H    THR   6           HN       THR   6   4.077  -7.081  -7.081
   36    HA   THR   6           HA       THR   6   5.567  -4.593  -4.593
   37    HB   THR   6           HB       THR   6   6.946  -6.868  -6.868
   38    HG1  THR   6           HG1      THR   6   7.188  -7.785  -7.785
   39   1HG2  THR   6          HG23      THR   6   7.704  -4.212  -4.212
   40   2HG2  THR   6          HG22      THR   6   8.923  -5.462  -5.462
   41   3HG2  THR   6          HG21      THR   6   8.020  -4.824  -4.824
   42    H    CYS   7           HN       CYS   7   4.711  -3.288  -3.288
   43    HA   CYS   7           HA       CYS   7   4.278  -4.484  -4.484
   44   1HB   CYS   7           HB2      CYS   7   2.622  -2.601  -2.601
   45   2HB   CYS   7           HB1      CYS   7   2.633  -2.392  -2.392
   46    H    THR   8           HN       THR   8   6.806  -3.517  -3.517
   47    HA   THR   8           HA       THR   8   6.892  -0.992  -0.992
   48    HB   THR   8           HB       THR   8   7.393  -0.419  -0.419
   49    HG1  THR   8           HG1      THR   8   9.500   0.326   0.326
   50   1HG2  THR   8          HG22      THR   8   8.757  -3.017  -3.017
   51   2HG2  THR   8          HG21      THR   8   9.718  -1.750  -1.750
   52   3HG2  THR   8          HG23      THR   8   8.108  -2.124  -2.124
   53    H    VAL   9           HN       VAL   9   7.250  -2.474  -2.474
   54    HA   VAL   9           HA       VAL   9   9.883  -3.822  -3.822
   55    HB   VAL   9           HB       VAL   9   7.672  -4.002  -4.002
   56   1HG1  VAL   9          HG12      VAL   9  10.322  -5.363  -5.363
   57   2HG1  VAL   9          HG11      VAL   9   9.015  -6.217  -6.217
   58   3HG1  VAL   9          HG13      VAL   9   9.637  -4.706  -4.706
   59   1HG2  VAL   9          HG21      VAL   9   7.123  -4.845  -4.845
   60   2HG2  VAL   9          HG23      VAL   9   6.976  -6.028  -6.028
   61   3HG2  VAL   9          HG22      VAL   9   8.390  -6.047  -6.047
   62    H    ALA  10           HN       ALA  10  11.093  -3.646  -3.646
   63    HA   ALA  10           HA       ALA  10  11.573  -0.866  -0.866
   64   1HB   ALA  10           HB2      ALA  10  13.291  -2.716  -2.716
   65   2HB   ALA  10           HB1      ALA  10  12.501  -3.224  -3.224
   66   3HB   ALA  10           HB3      ALA  10  13.250  -1.631  -1.631
   67    HA   PRO  11           HA       PRO  11   8.395   0.313   0.313
   68   1HB   PRO  11           HB2      PRO  11  10.545   1.317   1.317
   69   2HB   PRO  11           HB1      PRO  11   9.224   2.198   2.198
   70   1HG   PRO  11           HG2      PRO  11  11.955   2.008   2.008
   71   2HG   PRO  11           HG1      PRO  11  10.636   2.906   2.906
   72   1HD   PRO  11           HD2      PRO  11  11.903   0.696   0.696
   73   2HD   PRO  11           HD1      PRO  11  10.300   1.292   1.292
   74    H    ARG  12           HN       ARG  12  11.311  -1.429  -1.429
   75    HA   ARG  12           HA       ARG  12  10.072  -2.199  -2.199
   76   1HB   ARG  12           HB2      ARG  12  12.158  -3.547  -3.547
   77   2HB   ARG  12           HB1      ARG  12  12.478  -1.843  -1.843
   78   1HG   ARG  12           HG2      ARG  12  12.589  -2.546  -2.546
   79   2HG   ARG  12           HG1      ARG  12  12.750  -4.190  -4.190
   80   1HD   ARG  12           HD2      ARG  12  14.982  -3.389  -3.389
   81   2HD   ARG  12           HD1      ARG  12  14.651  -3.302  -3.302
   82    HE   ARG  12           HE       ARG  12  13.914  -0.828  -0.828
   83   1HH1  ARG  12          HH11      ARG  12  16.785  -2.806  -2.806
   84   2HH1  ARG  12          HH12      ARG  12  17.871  -1.457  -1.457
   85   1HH2  ARG  12          HH21      ARG  12  15.355   0.925   0.925
   86   2HH2  ARG  12          HH22      ARG  12  17.064   0.645   0.645
   87    H    GLU  13           HN       GLU  13  10.972  -3.817  -3.817
   88    HA   GLU  13           HA       GLU  13   9.849  -6.340  -6.340
   89   1HB   GLU  13           HB2      GLU  13  11.110  -5.275  -5.275
   90   2HB   GLU  13           HB1      GLU  13  10.129  -6.738  -6.738
   91   1HG   GLU  13           HG2      GLU  13  11.580  -7.978  -7.978
   92   2HG   GLU  13           HG1      GLU  13  12.145  -6.567  -6.567
   93    H    ARG  14           HN       ARG  14   7.955  -4.185  -4.185
   94    HA   ARG  14           HA       ARG  14   6.076  -4.827  -4.827
   95   1HB   ARG  14           HB2      ARG  14   6.292  -2.427  -2.427
   96   2HB   ARG  14           HB1      ARG  14   4.881  -2.734  -2.734
   97   1HG   ARG  14           HG2      ARG  14   6.664  -2.986  -2.986
   98   2HG   ARG  14           HG1      ARG  14   7.687  -2.054  -2.054
   99   1HD   ARG  14           HD2      ARG  14   5.795  -0.371  -0.371
  100   2HD   ARG  14           HD1      ARG  14   5.006  -1.244  -1.244
  101    HE   ARG  14           HE       ARG  14   7.606  -0.702  -0.702
  102   1HH1  ARG  14          HH11      ARG  14   4.772   1.066   1.066
  103   2HH1  ARG  14          HH12      ARG  14   5.119   2.441   2.441
  104   1HH2  ARG  14          HH21      ARG  14   8.039   1.109   1.109
  105   2HH2  ARG  14          HH22      ARG  14   6.960   2.464   2.464
  106    H    GLN  15           HN       GLN  15   4.444  -6.203  -6.203
  107    HA   GLN  15           HA       GLN  15   3.887  -6.667  -6.667
  108   1HB   GLN  15           HB2      GLN  15   2.284  -8.425  -8.425
  109   2HB   GLN  15           HB1      GLN  15   4.013  -8.707  -8.707
  110   1HG   GLN  15           HG2      GLN  15   2.554  -7.180  -7.180
  111   2HG   GLN  15           HG1      GLN  15   2.394  -8.937  -8.937
  112   1HE2  GLN  15          HE22      GLN  15   5.667  -7.434  -7.434
  113   2HE2  GLN  15          HE21      GLN  15   4.215  -6.581  -6.581
  114    H    ASN  16           HN       ASN  16   2.220  -5.670  -5.670
  115    HA   ASN  16           HA       ASN  16   0.591  -3.756  -3.756
  116   1HB   ASN  16           HB2      ASN  16   1.206  -3.782  -3.782
  117   2HB   ASN  16           HB1      ASN  16   0.057  -5.102  -5.102
  118   1HD2  ASN  16          HD22      ASN  16  -1.345  -1.389  -1.389
  119   2HD2  ASN  16          HD21      ASN  16   0.280  -1.809  -1.809
  120    H    CYS  17           HN       CYS  17  -1.289  -4.002  -4.002
  121    HA   CYS  17           HA       CYS  17  -2.606  -6.645  -6.645
  122   1HB   CYS  17           HB2      CYS  17  -1.900  -5.172  -5.172
  123   2HB   CYS  17           HB1      CYS  17  -3.472  -4.441  -4.441
  124    H    GLY  18           HN       GLY  18  -2.997  -3.276  -3.276
  125   1HA   GLY  18           HA2      GLY  18  -5.301  -3.872  -3.872
  126   2HA   GLY  18           HA1      GLY  18  -5.708  -2.899  -2.899
  127    H    PHE  19           HN       PHE  19  -6.108  -1.661  -1.661
  128    HA   PHE  19           HA       PHE  19  -3.844  -0.320  -0.320
  129   1HB   PHE  19           HB2      PHE  19  -5.590   1.360   1.360
  130   2HB   PHE  19           HB1      PHE  19  -5.797  -0.310  -0.310
  131    HD1  PHE  19           HD2      PHE  19  -7.460  -1.785  -1.785
  132    HD2  PHE  19           HD1      PHE  19  -7.263   2.468   2.468
  133    HE1  PHE  19           HE2      PHE  19  -9.745  -1.811  -1.811
  134    HE2  PHE  19           HE1      PHE  19  -9.556   2.438   2.438
  135    HZ   PHE  19           HZ       PHE  19 -10.793   0.300   0.300
  136    HA   PRO  20           HA       PRO  20  -3.112   2.901   2.901
  137   1HB   PRO  20           HB2      PRO  20  -2.466   5.011   5.011
  138   2HB   PRO  20           HB1      PRO  20  -1.370   3.725   3.725
  139   1HG   PRO  20           HG2      PRO  20  -2.429   4.201   4.201
  140   2HG   PRO  20           HG1      PRO  20  -1.307   2.935   2.935
  141   1HD   PRO  20           HD2      PRO  20  -4.179   2.749   2.749
  142   2HD   PRO  20           HD1      PRO  20  -2.982   1.450   1.450
  143    H    GLY  21           HN       GLY  21  -5.379   3.772   3.772
  144   1HA   GLY  21           HA2      GLY  21  -6.343   6.199   6.199
  145   2HA   GLY  21           HA1      GLY  21  -7.271   5.107   5.107
  146    H    VAL  22           HN       VAL  22  -6.498   3.059   3.059
  147    HA   VAL  22           HA       VAL  22  -9.053   3.042   3.042
  148    HB   VAL  22           HB       VAL  22  -7.974   1.550   1.550
  149   1HG1  VAL  22          HG13      VAL  22  -8.771   0.749   0.749
  150   2HG1  VAL  22          HG12      VAL  22  -7.112   0.912   0.912
  151   3HG1  VAL  22          HG11      VAL  22  -7.491  -0.235  -0.235
  152   1HG2  VAL  22          HG21      VAL  22  -5.505   2.461   2.461
  153   2HG2  VAL  22          HG23      VAL  22  -5.798   2.474   2.474
  154   3HG2  VAL  22          HG22      VAL  22  -5.539   0.945   0.945
  155    H    THR  23           HN       THR  23  -9.354   3.288   3.288
  156    HA   THR  23           HA       THR  23  -7.829   5.634   5.634
  157    HB   THR  23           HB       THR  23  -9.983   6.406   6.406
  158    HG1  THR  23           HG1      THR  23 -10.864   4.161   4.161
  159   1HG2  THR  23          HG23      THR  23  -9.078   7.222   7.222
  160   2HG2  THR  23          HG22      THR  23 -10.212   6.112   6.112
  161   3HG2  THR  23          HG21      THR  23 -10.812   7.432   7.432
  162    HA   PRO  24           HA       PRO  24  -6.854   3.793   3.793
  163   1HB   PRO  24           HB2      PRO  24  -8.770   5.471   5.471
  164   2HB   PRO  24           HB1      PRO  24  -7.003   5.445   5.445
  165   1HG   PRO  24           HG2      PRO  24  -8.703   7.277   7.277
  166   2HG   PRO  24           HG1      PRO  24  -6.947   7.329   7.329
  167   1HD   PRO  24           HD2      PRO  24  -8.189   6.857   6.857
  168   2HD   PRO  24           HD1      PRO  24  -6.541   6.323   6.323
  169    H    SER  25           HN       SER  25 -10.316   4.340   4.340
  170    HA   SER  25           HA       SER  25 -11.198   2.328   2.328
  171   1HB   SER  25           HB2      SER  25 -13.415   2.693   2.693
  172   2HB   SER  25           HB1      SER  25 -12.690   4.162   4.162
  173    HG   SER  25           HG       SER  25 -12.738   4.899   4.899
  174    H    GLN  26           HN       GLN  26 -10.899   2.532   2.532
  175    HA   GLN  26           HA       GLN  26 -11.898  -0.063  -0.063
  176   1HB   GLN  26           HB2      GLN  26 -10.213   1.926   1.926
  177   2HB   GLN  26           HB1      GLN  26 -10.256   0.272   0.272
  178   1HG   GLN  26           HG2      GLN  26 -12.570   0.349   0.349
  179   2HG   GLN  26           HG1      GLN  26 -12.809   1.712   1.712
  180   1HE2  GLN  26          HE22      GLN  26 -12.100   2.444   2.444
  181   2HE2  GLN  26          HE21      GLN  26 -12.462   0.898   0.898
  182    H    CYS  27           HN       CYS  27  -8.488   1.086   1.086
  183    HA   CYS  27           HA       CYS  27  -7.314  -1.476  -1.476
  184   1HB   CYS  27           HB2      CYS  27  -6.183   0.831   0.831
  185   2HB   CYS  27           HB1      CYS  27  -6.174   0.769   0.769
  186    H    ALA  28           HN       ALA  28  -8.648   0.252   0.252
  187    HA   ALA  28           HA       ALA  28  -7.684  -1.780  -1.780
  188   1HB   ALA  28           HB1      ALA  28  -7.886   0.598   0.598
  189   2HB   ALA  28           HB3      ALA  28  -9.628   0.507   0.507
  190   3HB   ALA  28           HB2      ALA  28  -8.876  -0.458  -0.458
  191    H    ASN  29           HN       ASN  29 -10.182  -1.673  -1.673
  192    HA   ASN  29           HA       ASN  29 -12.258  -2.881  -2.881
  193   1HB   ASN  29           HB2      ASN  29 -12.610  -1.490  -1.490
  194   2HB   ASN  29           HB1      ASN  29 -12.057  -2.899  -2.899
  195   1HD2  ASN  29          HD22      ASN  29 -15.606  -3.216  -3.216
  196   2HD2  ASN  29          HD21      ASN  29 -14.406  -2.164  -2.164
  197    H    LYS  30           HN       LYS  30  -9.953  -4.055  -4.055
  198    HA   LYS  30           HA       LYS  30 -10.818  -6.795  -6.795
  199   1HB   LYS  30           HB2      LYS  30  -9.535  -5.453  -5.453
  200   2HB   LYS  30           HB1      LYS  30  -8.193  -6.316  -6.316
  201   1HG   LYS  30           HG2      LYS  30 -10.036  -8.298  -8.298
  202   2HG   LYS  30           HG1      LYS  30 -10.547  -7.383  -7.383
  203   1HD   LYS  30           HD2      LYS  30  -8.450  -7.641  -7.641
  204   2HD   LYS  30           HD1      LYS  30  -7.653  -8.122  -8.122
  205   1HE   LYS  30           HE2      LYS  30  -9.387 -10.101 -10.101
  206   2HE   LYS  30           HE1      LYS  30  -9.481  -9.720  -9.720
  207   1HZ   LYS  30           HZ1      LYS  30  -6.918 -10.092 -10.092
  208   2HZ   LYS  30           HZ3      LYS  30  -7.779 -11.395 -11.395
  209   3HZ   LYS  30           HZ2      LYS  30  -7.244 -10.139 -10.139
  210    H    GLY  31           HN       GLY  31  -7.857  -4.916  -4.916
  211   1HA   GLY  31           HA2      GLY  31  -7.176  -5.455  -5.455
  212   2HA   GLY  31           HA1      GLY  31  -7.146  -7.124  -7.124
  213    H    CYS  32           HN       CYS  32  -6.143  -4.642  -4.642
  214    HA   CYS  32           HA       CYS  32  -3.416  -5.737  -5.737
  215   1HB   CYS  32           HB2      CYS  32  -4.555  -3.679  -3.679
  216   2HB   CYS  32           HB1      CYS  32  -3.058  -4.585  -4.585
  217    H    CYS  33           HN       CYS  33  -1.626  -4.522  -4.522
  218    HA   CYS  33           HA       CYS  33  -2.114  -2.314  -2.314
  219   1HB   CYS  33           HB2      CYS  33   0.298  -3.693  -3.693
  220   2HB   CYS  33           HB1      CYS  33   0.519  -2.073  -2.073
  221    H    PHE  34           HN       PHE  34  -2.337  -0.173  -0.173
  222    HA   PHE  34           HA       PHE  34  -1.848   0.680   0.680
  223   1HB   PHE  34           HB2      PHE  34  -4.065   1.135   1.135
  224   2HB   PHE  34           HB1      PHE  34  -3.220   2.180   2.180
  225    HD1  PHE  34           HD1      PHE  34  -4.049   1.692   1.692
  226    HD2  PHE  34           HD2      PHE  34  -2.485   4.372   4.372
  227    HE1  PHE  34           HE1      PHE  34  -4.133   3.554   3.554
  228    HE2  PHE  34           HE2      PHE  34  -2.570   6.234   6.234
  229    HZ   PHE  34           HZ       PHE  34  -3.393   5.824   5.824
  230    H    ASP  35           HN       ASP  35  -0.382   2.369   2.369
  231    HA   ASP  35           HA       ASP  35   0.978   3.735   3.735
  232   1HB   ASP  35           HB2      ASP  35   2.203   1.566   1.566
  233   2HB   ASP  35           HB1      ASP  35   2.543   2.066   2.066
  234    H    ASP  36           HN       ASP  36   0.512   5.787   5.787
  235    HA   ASP  36           HA       ASP  36   1.179   6.327   6.327
  236   1HB   ASP  36           HB2      ASP  36  -0.250   8.365   8.365
  237   2HB   ASP  36           HB1      ASP  36  -1.134   6.855   6.855
  238    H    THR  37           HN       THR  37   3.493   6.506   6.506
  239    HA   THR  37           HA       THR  37   4.093   9.020   9.020
  240    HB   THR  37           HB       THR  37   6.308   7.982   7.982
  241    HG1  THR  37           HG1      THR  37   6.327   5.647   5.647
  242   1HG2  THR  37          HG21      THR  37   4.043   7.713   7.713
  243   2HG2  THR  37          HG23      THR  37   4.279   6.015   6.015
  244   3HG2  THR  37          HG22      THR  37   5.519   6.883   6.883
  245    H    VAL  38           HN       VAL  38   4.825   6.975   6.975
  246    HA   VAL  38           HA       VAL  38   6.127   9.343   9.343
  247    HB   VAL  38           HB       VAL  38   6.934   6.449   6.449
  248   1HG1  VAL  38          HG13      VAL  38   7.832   9.100   9.100
  249   2HG1  VAL  38          HG12      VAL  38   8.989   7.777   7.777
  250   3HG1  VAL  38          HG11      VAL  38   7.547   7.583   7.583
  251   1HG2  VAL  38          HG22      VAL  38   7.475   7.348   7.348
  252   2HG2  VAL  38          HG21      VAL  38   8.907   6.968   6.968
  253   3HG2  VAL  38          HG23      VAL  38   8.388   8.644   8.644
  254    H    ARG  39           HN       ARG  39   5.742   9.589   9.589
  255    HA   ARG  39           HA       ARG  39   3.252   8.332   8.332
  256   1HB   ARG  39           HB2      ARG  39   3.859  10.816  10.816
  257   2HB   ARG  39           HB1      ARG  39   4.946  10.281  10.281
  258   1HG   ARG  39           HG2      ARG  39   3.206   9.567   9.567
  259   2HG   ARG  39           HG1      ARG  39   2.107   9.319   9.319
  260   1HD   ARG  39           HD2      ARG  39   2.081  11.817  11.817
  261   2HD   ARG  39           HD1      ARG  39   2.993  11.969  11.969
  262    HE   ARG  39           HE       ARG  39   0.476  10.462  10.462
  263   1HH1  ARG  39          HH21      ARG  39   2.245  13.412  13.412
  264   2HH1  ARG  39          HH22      ARG  39   1.092  14.036  14.036
  265   1HH2  ARG  39          HH11      ARG  39  -1.021  11.299  11.299
  266   2HH2  ARG  39          HH12      ARG  39  -0.748  12.845  12.845
  267    H    GLY  40           HN       GLY  40   3.188   7.542   7.542
  268   1HA   GLY  40           HA2      GLY  40   4.140   6.354   6.354
  269   2HA   GLY  40           HA1      GLY  40   5.715   6.480   6.480
  270    H    VAL  41           HN       VAL  41   5.374   5.361   5.361
  271    HA   VAL  41           HA       VAL  41   5.151   2.558   2.558
  272    HB   VAL  41           HB       VAL  41   5.599   2.266   2.266
  273   1HG1  VAL  41          HG13      VAL  41   7.366   2.829   2.829
  274   2HG1  VAL  41          HG12      VAL  41   7.439   4.407   4.407
  275   3HG1  VAL  41          HG11      VAL  41   7.843   2.952   2.952
  276   1HG2  VAL  41          HG21      VAL  41   5.112   5.233   5.233
  277   2HG2  VAL  41          HG23      VAL  41   4.552   4.040   4.040
  278   3HG2  VAL  41          HG22      VAL  41   6.236   4.565   4.565
  279    HA   PRO  42           HA       PRO  42   0.945   1.916   1.916
  280   1HB   PRO  42           HB2      PRO  42   1.197  -0.683  -0.683
  281   2HB   PRO  42           HB1      PRO  42   1.053  -0.232  -0.232
  282   1HG   PRO  42           HG2      PRO  42   3.302  -1.376  -1.376
  283   2HG   PRO  42           HG1      PRO  42   3.168  -0.887  -0.887
  284   1HD   PRO  42           HD2      PRO  42   4.420   0.546   0.546
  285   2HD   PRO  42           HD1      PRO  42   4.713   0.712   0.712
  286    H    TRP  43           HN       TRP  43  -0.219   2.504   2.504
  287    HA   TRP  43           HA       TRP  43   1.163   2.503   2.503
  288   1HB   TRP  43           HB2      TRP  43  -1.645   3.462   3.462
  289   2HB   TRP  43           HB1      TRP  43  -0.643   3.895   3.895
  290    HD1  TRP  43           HD1      TRP  43   2.065   4.519   4.519
  291    HE1  TRP  43           HE1      TRP  43   2.249   6.630   6.630
  292    HE3  TRP  43           HE3      TRP  43  -2.885   5.411   5.411
  293    HZ2  TRP  43           HZ2      TRP  43   0.525   8.457   8.457
  294    HZ3  TRP  43           HZ3      TRP  43  -3.586   7.342   7.342
  295    HH2  TRP  43           HH2      TRP  43  -1.889   8.864   8.864
  296    H    CYS  44           HN       CYS  44  -1.621   0.937   0.937
  297    HA   CYS  44           HA       CYS  44  -2.288  -0.502  -0.502
  298   1HB   CYS  44           HB2      CYS  44  -3.961   0.417   0.417
  299   2HB   CYS  44           HB1      CYS  44  -3.475  -0.962  -0.962
  300    H    PHE  45           HN       PHE  45  -0.714  -2.077  -2.077
  301    HA   PHE  45           HA       PHE  45  -0.277  -4.071  -4.071
  302   1HB   PHE  45           HB2      PHE  45   2.091  -4.204  -4.204
  303   2HB   PHE  45           HB1      PHE  45   1.691  -2.537  -2.537
  304    HD1  PHE  45           HD2      PHE  45   0.849  -1.130  -1.130
  305    HD2  PHE  45           HD1      PHE  45   3.434  -4.554  -4.554
  306    HE1  PHE  45           HE2      PHE  45   1.719  -0.415  -0.415
  307    HE2  PHE  45           HE1      PHE  45   4.311  -3.838  -3.838
  308    HZ   PHE  45           HZ       PHE  45   3.450  -1.770  -1.770
  309    H    TYR  46           HN       TYR  46   0.860  -6.119  -6.119
  310    HA   TYR  46           HA       TYR  46  -0.890  -6.987  -6.987
  311   1HB   TYR  46           HB2      TYR  46   1.369  -8.243  -8.243
  312   2HB   TYR  46           HB1      TYR  46   0.669  -9.057  -9.057
  313    HD1  TYR  46           HD2      TYR  46  -1.790  -9.599  -9.599
  314    HD2  TYR  46           HD1      TYR  46   0.223  -8.154  -8.154
  315    HE1  TYR  46           HE2      TYR  46  -3.668 -10.400 -10.400
  316    HE2  TYR  46           HE1      TYR  46  -1.655  -8.955  -8.955
  317    HH   TYR  46           HH       TYR  46  -3.462 -10.750 -10.750
  318    HA   PRO  47           HA       PRO  47   1.959  -6.375  -6.375
  319   1HB   PRO  47           HB2      PRO  47   1.167  -8.492  -8.492
  320   2HB   PRO  47           HB1      PRO  47   0.291  -6.963  -6.963
  321   1HG   PRO  47           HG2      PRO  47  -0.533  -9.563  -9.563
  322   2HG   PRO  47           HG1      PRO  47  -1.394  -8.027  -8.027
  323   1HD   PRO  47           HD2      PRO  47   0.245  -9.510  -9.510
  324   2HD   PRO  47           HD1      PRO  47  -1.037  -8.309  -8.309
  325    H    ASN  48           HN       ASN  48   3.781  -7.353  -7.353
  326    HA   ASN  48           HA       ASN  48   4.824  -9.864  -9.864
  327   1HB   ASN  48           HB2      ASN  48   6.124  -7.163  -7.163
  328   2HB   ASN  48           HB1      ASN  48   7.130  -8.600  -8.600
  329   1HD2  ASN  48          HD22      ASN  48   7.216  -8.773  -8.773
  330   2HD2  ASN  48          HD21      ASN  48   8.104  -8.621  -8.621
  331    H    THR  49           HN       THR  49   4.777 -11.187 -11.187
  332    HA   THR  49           HA       THR  49   5.288 -10.110 -10.110
  333    HB   THR  49           HB       THR  49   4.901 -12.411 -12.411
  334    HG1  THR  49           HG1      THR  49   5.510 -13.887 -13.887
  335   1HG2  THR  49          HG22      THR  49   2.989 -10.875 -10.875
  336   2HG2  THR  49          HG21      THR  49   2.933 -11.828 -11.828
  337   3HG2  THR  49          HG23      THR  49   2.621 -12.598 -12.598
  338    H    ILE  50           HN       ILE  50   7.411  -9.575  -9.575
  339    HA   ILE  50           HA       ILE  50   9.445 -11.646 -11.646
  340    HB   ILE  50           HB       ILE  50   9.866  -8.644  -8.644
  341   1HG1  ILE  50          HG12      ILE  50   9.818 -10.580 -10.580
  342   2HG1  ILE  50          HG11      ILE  50   8.404  -9.643  -9.643
  343   1HG2  ILE  50          HG22      ILE  50  11.614 -11.042 -11.042
  344   2HG2  ILE  50          HG21      ILE  50  12.005  -9.413  -9.413
  345   3HG2  ILE  50          HG23      ILE  50  11.909  -9.761  -9.761
  346   1HD1  ILE  50          HD11      ILE  50  10.950  -8.138  -8.138
  347   2HD1  ILE  50          HD13      ILE  50  10.188  -8.736  -8.736
  348   3HD1  ILE  50          HD12      ILE  50   9.300  -7.658  -7.658
  349    H    ASP  51           HN       ASP  51  11.247 -11.706 -11.706
  350    HA   ASP  51           HA       ASP  51  10.360 -11.153 -11.153
  351   1HB   ASP  51           HB2      ASP  51  12.716 -12.486 -12.486
  352   2HB   ASP  51           HB1      ASP  51  12.866 -11.943 -11.943
  353    H    VAL  52           HN       VAL  52  10.414  -9.022  -9.022
  354    HA   VAL  52           HA       VAL  52  12.965  -7.576  -7.576
  355    HB   VAL  52           HB       VAL  52  11.614  -5.483  -5.483
  356   1HG1  VAL  52          HG12      VAL  52  11.183  -7.739  -7.739
  357   2HG1  VAL  52          HG11      VAL  52  10.723  -6.070  -6.070
  358   3HG1  VAL  52          HG13      VAL  52  12.415  -6.479  -6.479
  359   1HG2  VAL  52          HG21      VAL  52   9.312  -7.458  -7.458
  360   2HG2  VAL  52          HG23      VAL  52   9.574  -6.270  -6.270
  361   3HG2  VAL  52          HG22      VAL  52   9.195  -5.736  -5.736
  362    HA   PRO  53           HA       PRO  53  13.441  -6.854  -6.854
  363   1HB   PRO  53           HB2      PRO  53  13.396  -3.959  -3.959
  364   2HB   PRO  53           HB1      PRO  53  14.746  -5.015  -5.015
  365   1HG   PRO  53           HG2      PRO  53  14.095  -3.854  -3.854
  366   2HG   PRO  53           HG1      PRO  53  15.570  -4.689  -4.689
  367   1HD   PRO  53           HD2      PRO  53  13.788  -5.732  -5.732
  368   2HD   PRO  53           HD1      PRO  53  14.844  -6.726  -6.726
  369    HA   PRO  54           HA       PRO  54   9.717  -3.379  -3.379
  370   1HB   PRO  54           HB2      PRO  54   8.226  -4.268  -4.268
  371   2HB   PRO  54           HB1      PRO  54   8.534  -2.628  -2.628
  372   1HG   PRO  54           HG2      PRO  54   9.887  -4.049  -4.049
  373   2HG   PRO  54           HG1      PRO  54  10.162  -2.395  -2.395
  374   1HD   PRO  54           HD2      PRO  54  11.965  -4.460  -4.460
  375   2HD   PRO  54           HD1      PRO  54  11.938  -3.005  -3.005
  376    H    GLU  55           HN       GLU  55   8.256  -4.229  -4.229
  377    HA   GLU  55           HA       GLU  55   7.766  -7.074  -7.074
  378   1HB   GLU  55           HB2      GLU  55   6.372  -6.527  -6.527
  379   2HB   GLU  55           HB1      GLU  55   8.001  -5.859  -5.859
  380   1HG   GLU  55           HG2      GLU  55   6.844  -3.951  -3.951
  381   2HG   GLU  55           HG1      GLU  55   6.761  -3.790  -3.790
  382    H    GLU  56           HN       GLU  56   5.320  -7.751  -7.751
  383    HA   GLU  56           HA       GLU  56   3.709  -6.472  -6.472
  384   1HB   GLU  56           HB2      GLU  56   2.598  -8.696  -8.696
  385   2HB   GLU  56           HB1      GLU  56   4.322  -8.763  -8.763
  386   1HG   GLU  56           HG2      GLU  56   4.289 -10.521 -10.521
  387   2HG   GLU  56           HG1      GLU  56   4.378  -9.244  -9.244
  388    H    GLU  57           HN       GLU  57   1.312  -6.545  -6.545
  389    HA   GLU  57           HA       GLU  57   0.753  -6.237  -6.237
  390   1HB   GLU  57           HB2      GLU  57  -0.723  -5.127  -5.127
  391   2HB   GLU  57           HB1      GLU  57  -1.143  -4.831  -4.831
  392   1HG   GLU  57           HG2      GLU  57   1.657  -4.249  -4.249
  393   2HG   GLU  57           HG1      GLU  57   0.385  -3.120  -3.120
  394    H    SER  58           HN       SER  58  -0.352  -7.929  -7.929
  395    HA   SER  58           HA       SER  58  -2.011  -9.593  -9.593
  396   1HB   SER  58           HB2      SER  58  -1.771 -11.345 -11.345
  397   2HB   SER  58           HB1      SER  58  -0.170 -10.639 -10.639
  398    HG   SER  58           HG       SER  58  -2.041  -9.984  -9.984
  399    H    GLU  59           HN       GLU  59  -4.228  -9.670  -9.670
  400    HA   GLU  59           HA       GLU  59  -5.347  -7.905  -7.905
  401   1HB   GLU  59           HB2      GLU  59  -6.391  -9.130  -9.130
  402   2HB   GLU  59           HB1      GLU  59  -7.514  -8.528  -8.528
  403   1HG   GLU  59           HG2      GLU  59  -7.217  -6.598  -6.598
  404   2HG   GLU  59           HG1      GLU  59  -5.908  -6.407  -6.407
  405    H    PHE  60           HN       PHE  60  -6.985  -8.671  -8.671
  406    HA   PHE  60           HA       PHE  60  -6.844 -11.597 -11.597
  407   1HB   PHE  60           HB2      PHE  60  -7.212  -9.234  -9.234
  408   2HB   PHE  60           HB1      PHE  60  -7.794 -10.825 -10.825
  409    HD1  PHE  60           HD1      PHE  60  -4.745  -9.282  -9.282
  410    HD2  PHE  60           HD2      PHE  60  -6.322 -12.189 -12.189
  411    HE1  PHE  60           HE1      PHE  60  -2.438  -9.931  -9.931
  412    HE2  PHE  60           HE2      PHE  60  -4.015 -12.838 -12.838
  413    HZ   PHE  60           HZ       PHE  60  -2.073 -11.710 -11.710

  Start of MODEL   12
    1   1H    GLU   1           HT3      GLU   1  11.910  -6.210  -6.210
    2   2H    GLU   1           HT2      GLU   1  10.971  -6.786  -6.786
    3   3H    GLU   1           HT1      GLU   1  12.480  -7.489  -7.489
    4    HA   GLU   1           HA       GLU   1  11.677  -8.808  -8.808
    5   1HB   GLU   1           HB2      GLU   1   9.150  -7.792  -7.792
    6   2HB   GLU   1           HB1      GLU   1   9.169  -9.153  -9.153
    7   1HG   GLU   1           HG2      GLU   1  10.474 -10.484 -10.484
    8   2HG   GLU   1           HG1      GLU   1  11.026  -9.093  -9.093
    9    H    ALA   2           HN       ALA   2  10.266  -9.040  -9.040
   10    HA   ALA   2           HA       ALA   2   9.445  -6.460  -6.460
   11   1HB   ALA   2           HB3      ALA   2  11.904  -7.040  -7.040
   12   2HB   ALA   2           HB2      ALA   2  11.230  -8.327  -8.327
   13   3HB   ALA   2           HB1      ALA   2  10.834  -6.645  -6.645
   14    H    GLN   3           HN       GLN   3   7.689  -8.405  -8.405
   15    HA   GLN   3           HA       GLN   3   6.975  -9.981  -9.981
   16   1HB   GLN   3           HB2      GLN   3   6.405 -10.183 -10.183
   17   2HB   GLN   3           HB1      GLN   3   5.186 -10.797 -10.797
   18   1HG   GLN   3           HG2      GLN   3   6.644 -12.638 -12.638
   19   2HG   GLN   3           HG1      GLN   3   7.059 -12.084 -12.084
   20   1HE2  GLN   3          HE22      GLN   3  10.355 -11.199 -11.199
   21   2HE2  GLN   3          HE21      GLN   3   9.200 -11.364 -11.364
   22    H    THR   4           HN       THR   4   5.955  -8.446  -8.446
   23    HA   THR   4           HA       THR   4   3.281  -7.666  -7.666
   24    HB   THR   4           HB       THR   4   3.975  -5.204  -5.204
   25    HG1  THR   4           HG1      THR   4   6.265  -6.077  -6.077
   26   1HG2  THR   4          HG22      THR   4   3.081  -6.251  -6.251
   27   2HG2  THR   4          HG21      THR   4   4.724  -5.909  -5.909
   28   3HG2  THR   4          HG23      THR   4   3.701  -4.601  -4.601
   29    H    GLU   5           HN       GLU   5   2.464  -6.049  -6.049
   30    HA   GLU   5           HA       GLU   5   2.974  -7.623  -7.623
   31   1HB   GLU   5           HB2      GLU   5   1.042  -5.337  -5.337
   32   2HB   GLU   5           HB1      GLU   5   1.069  -6.388  -6.388
   33   1HG   GLU   5           HG2      GLU   5   0.826  -8.333  -8.333
   34   2HG   GLU   5           HG1      GLU   5   0.320  -7.077  -7.077
   35    H    THR   6           HN       THR   6   4.125  -6.870  -6.870
   36    HA   THR   6           HA       THR   6   4.980  -4.028  -4.028
   37    HB   THR   6           HB       THR   6   6.679  -6.375  -6.375
   38    HG1  THR   6           HG1      THR   6   7.844  -5.782  -5.782
   39   1HG2  THR   6          HG23      THR   6   7.152  -3.409  -3.409
   40   2HG2  THR   6          HG22      THR   6   8.475  -4.571  -4.571
   41   3HG2  THR   6          HG21      THR   6   7.361  -4.391  -4.391
   42    H    CYS   7           HN       CYS   7   4.650  -2.952  -2.952
   43    HA   CYS   7           HA       CYS   7   4.046  -4.636  -4.636
   44   1HB   CYS   7           HB2      CYS   7   2.579  -2.302  -2.302
   45   2HB   CYS   7           HB1      CYS   7   2.578  -2.507  -2.507
   46    H    THR   8           HN       THR   8   6.117  -2.313  -2.313
   47    HA   THR   8           HA       THR   8   6.562  -0.666  -0.666
   48    HB   THR   8           HB       THR   8   7.274   0.113   0.113
   49    HG1  THR   8           HG1      THR   8   9.261  -0.486  -0.486
   50   1HG2  THR   8          HG22      THR   8   7.687  -2.200  -2.200
   51   2HG2  THR   8          HG21      THR   8   9.217  -2.211  -2.211
   52   3HG2  THR   8          HG23      THR   8   8.943  -1.030  -1.030
   53    H    VAL   9           HN       VAL   9   7.653  -1.193  -1.193
   54    HA   VAL   9           HA       VAL   9   9.704  -3.309  -3.309
   55    HB   VAL   9           HB       VAL   9   7.489  -3.269  -3.269
   56   1HG1  VAL   9          HG12      VAL   9   9.927  -4.952  -4.952
   57   2HG1  VAL   9          HG11      VAL   9   8.511  -5.681  -5.681
   58   3HG1  VAL   9          HG13      VAL   9   9.314  -4.309  -4.309
   59   1HG2  VAL   9          HG21      VAL   9   7.915  -5.099  -5.099
   60   2HG2  VAL   9          HG23      VAL   9   6.615  -3.919  -3.919
   61   3HG2  VAL   9          HG22      VAL   9   6.684  -5.319  -5.319
   62    H    ALA  10           HN       ALA  10  10.839  -3.395  -3.395
   63    HA   ALA  10           HA       ALA  10  11.672  -0.692  -0.692
   64   1HB   ALA  10           HB1      ALA  10  13.191  -2.715  -2.715
   65   2HB   ALA  10           HB3      ALA  10  12.391  -3.223  -3.223
   66   3HB   ALA  10           HB2      ALA  10  13.299  -1.712  -1.712
   67    HA   PRO  11           HA       PRO  11   8.768   0.674   0.674
   68   1HB   PRO  11           HB2      PRO  11  11.068   1.269   1.269
   69   2HB   PRO  11           HB1      PRO  11   9.861   2.366   2.366
   70   1HG   PRO  11           HG2      PRO  11  12.526   1.873   1.873
   71   2HG   PRO  11           HG1      PRO  11  11.326   2.991   2.991
   72   1HD   PRO  11           HD2      PRO  11  12.258   0.716   0.716
   73   2HD   PRO  11           HD1      PRO  11  10.738   1.551   1.551
   74    H    ARG  12           HN       ARG  12  11.554  -1.344  -1.344
   75    HA   ARG  12           HA       ARG  12  10.137  -2.229  -2.229
   76   1HB   ARG  12           HB2      ARG  12  12.838  -2.721  -2.721
   77   2HB   ARG  12           HB1      ARG  12  12.227  -3.827  -3.827
   78   1HG   ARG  12           HG2      ARG  12  11.703  -1.684  -1.684
   79   2HG   ARG  12           HG1      ARG  12  12.805  -0.880  -0.880
   80   1HD   ARG  12           HD2      ARG  12  14.074  -1.609  -1.609
   81   2HD   ARG  12           HD1      ARG  12  14.538  -2.604  -2.604
   82    HE   ARG  12           HE       ARG  12  13.493  -4.446  -4.446
   83   1HH1  ARG  12          HH11      ARG  12  12.797  -1.467  -1.467
   84   2HH1  ARG  12          HH12      ARG  12  12.103  -2.253  -2.253
   85   1HH2  ARG  12          HH21      ARG  12  12.580  -5.453  -5.453
   86   2HH2  ARG  12          HH22      ARG  12  11.981  -4.499  -4.499
   87    H    GLU  13           HN       GLU  13  11.062  -3.582  -3.582
   88    HA   GLU  13           HA       GLU  13   9.935  -6.175  -6.175
   89   1HB   GLU  13           HB2      GLU  13  10.930  -4.910  -4.910
   90   2HB   GLU  13           HB1      GLU  13  10.312  -6.561  -6.561
   91   1HG   GLU  13           HG2      GLU  13  12.050  -6.673  -6.673
   92   2HG   GLU  13           HG1      GLU  13  12.847  -5.424  -5.424
   93    H    ARG  14           HN       ARG  14   8.054  -4.045  -4.045
   94    HA   ARG  14           HA       ARG  14   6.169  -4.409  -4.409
   95   1HB   ARG  14           HB2      ARG  14   6.177  -2.358  -2.358
   96   2HB   ARG  14           HB1      ARG  14   4.994  -2.444  -2.444
   97   1HG   ARG  14           HG2      ARG  14   7.194  -2.407  -2.407
   98   2HG   ARG  14           HG1      ARG  14   7.854  -1.590  -1.590
   99   1HD   ARG  14           HD2      ARG  14   6.236   0.153   0.153
  100   2HD   ARG  14           HD1      ARG  14   5.241  -0.752  -0.752
  101    HE   ARG  14           HE       ARG  14   7.875  -0.264  -0.264
  102   1HH1  ARG  14          HH11      ARG  14   4.748   1.163   1.163
  103   2HH1  ARG  14          HH12      ARG  14   4.889   2.310   2.310
  104   1HH2  ARG  14          HH21      ARG  14   8.039   1.247   1.247
  105   2HH2  ARG  14          HH22      ARG  14   6.745   2.357   2.357
  106    H    GLN  15           HN       GLN  15   4.448  -5.763  -5.763
  107    HA   GLN  15           HA       GLN  15   3.958  -6.721  -6.721
  108   1HB   GLN  15           HB2      GLN  15   3.277  -7.695  -7.695
  109   2HB   GLN  15           HB1      GLN  15   2.313  -8.242  -8.242
  110   1HG   GLN  15           HG2      GLN  15   3.941  -9.854  -9.854
  111   2HG   GLN  15           HG1      GLN  15   4.777  -8.609  -8.609
  112   1HE2  GLN  15          HE22      GLN  15   6.805  -9.908  -9.908
  113   2HE2  GLN  15          HE21      GLN  15   5.846 -10.767 -10.767
  114    H    ASN  16           HN       ASN  16   2.483  -5.530  -5.530
  115    HA   ASN  16           HA       ASN  16   0.674  -3.683  -3.683
  116   1HB   ASN  16           HB2      ASN  16   1.500  -4.242  -4.242
  117   2HB   ASN  16           HB1      ASN  16  -0.103  -4.972  -4.972
  118   1HD2  ASN  16          HD22      ASN  16  -0.419  -1.342  -1.342
  119   2HD2  ASN  16          HD21      ASN  16   0.450  -2.652  -2.652
  120    H    CYS  17           HN       CYS  17  -1.237  -3.978  -3.978
  121    HA   CYS  17           HA       CYS  17  -2.433  -6.677  -6.677
  122   1HB   CYS  17           HB2      CYS  17  -1.860  -5.141  -5.141
  123   2HB   CYS  17           HB1      CYS  17  -3.451  -4.477  -4.477
  124    H    GLY  18           HN       GLY  18  -2.873  -3.465  -3.465
  125   1HA   GLY  18           HA2      GLY  18  -5.134  -4.206  -4.206
  126   2HA   GLY  18           HA1      GLY  18  -5.639  -3.209  -3.209
  127    H    PHE  19           HN       PHE  19  -6.110  -1.988  -1.988
  128    HA   PHE  19           HA       PHE  19  -3.883  -0.595  -0.595
  129   1HB   PHE  19           HB2      PHE  19  -5.702   0.990   0.990
  130   2HB   PHE  19           HB1      PHE  19  -5.814  -0.695  -0.695
  131    HD1  PHE  19           HD1      PHE  19  -7.439  -2.230  -2.230
  132    HD2  PHE  19           HD2      PHE  19  -7.418   2.012   2.012
  133    HE1  PHE  19           HE1      PHE  19  -9.733  -2.368  -2.368
  134    HE2  PHE  19           HE2      PHE  19  -9.713   1.871   1.871
  135    HZ   PHE  19           HZ       PHE  19 -10.868  -0.317  -0.317
  136    HA   PRO  20           HA       PRO  20  -3.325   2.701   2.701
  137   1HB   PRO  20           HB2      PRO  20  -2.739   4.804   4.804
  138   2HB   PRO  20           HB1      PRO  20  -1.601   3.571   3.571
  139   1HG   PRO  20           HG2      PRO  20  -2.639   3.960   3.960
  140   2HG   PRO  20           HG1      PRO  20  -1.480   2.746   2.746
  141   1HD   PRO  20           HD2      PRO  20  -4.340   2.446   2.446
  142   2HD   PRO  20           HD1      PRO  20  -3.097   1.196   1.196
  143    H    GLY  21           HN       GLY  21  -5.617   3.405   3.405
  144   1HA   GLY  21           HA2      GLY  21  -6.672   5.831   5.831
  145   2HA   GLY  21           HA1      GLY  21  -7.567   4.652   4.652
  146    H    VAL  22           HN       VAL  22  -6.735   2.732   2.732
  147    HA   VAL  22           HA       VAL  22  -9.271   2.743   2.743
  148    HB   VAL  22           HB       VAL  22  -8.157   1.303   1.303
  149   1HG1  VAL  22          HG11      VAL  22  -8.996   0.453   0.453
  150   2HG1  VAL  22          HG13      VAL  22  -7.337   0.570   0.570
  151   3HG1  VAL  22          HG12      VAL  22  -7.728  -0.528  -0.528
  152   1HG2  VAL  22          HG21      VAL  22  -5.722   2.163   2.163
  153   2HG2  VAL  22          HG23      VAL  22  -5.976   2.239   2.239
  154   3HG2  VAL  22          HG22      VAL  22  -5.736   0.681   0.681
  155    H    THR  23           HN       THR  23  -9.009   2.763   2.763
  156    HA   THR  23           HA       THR  23  -7.654   5.248   5.248
  157    HB   THR  23           HB       THR  23  -9.757   6.089   6.089
  158    HG1  THR  23           HG1      THR  23 -10.831   3.919   3.919
  159   1HG2  THR  23          HG21      THR  23  -8.894   6.558   6.558
  160   2HG2  THR  23          HG23      THR  23 -10.386   5.729   5.729
  161   3HG2  THR  23          HG22      THR  23 -10.446   7.189   7.189
  162    HA   PRO  24           HA       PRO  24  -6.492   3.399   3.399
  163   1HB   PRO  24           HB2      PRO  24  -8.182   5.265   5.265
  164   2HB   PRO  24           HB1      PRO  24  -6.421   5.096   5.096
  165   1HG   PRO  24           HG2      PRO  24  -8.044   7.021   7.021
  166   2HG   PRO  24           HG1      PRO  24  -6.279   6.922   6.922
  167   1HD   PRO  24           HD2      PRO  24  -7.727   6.486   6.486
  168   2HD   PRO  24           HD1      PRO  24  -6.106   5.824   5.824
  169    H    SER  25           HN       SER  25  -9.935   4.123   4.123
  170    HA   SER  25           HA       SER  25 -10.865   2.320   2.320
  171   1HB   SER  25           HB2      SER  25 -13.065   2.816   2.816
  172   2HB   SER  25           HB1      SER  25 -12.144   4.317   4.317
  173    HG   SER  25           HG       SER  25 -11.866   4.096   4.096
  174    H    GLN  26           HN       GLN  26 -10.824   2.213   2.213
  175    HA   GLN  26           HA       GLN  26 -11.834  -0.428  -0.428
  176   1HB   GLN  26           HB2      GLN  26 -10.268   1.384   1.384
  177   2HB   GLN  26           HB1      GLN  26 -10.522  -0.301  -0.301
  178   1HG   GLN  26           HG2      GLN  26 -12.927  -0.037  -0.037
  179   2HG   GLN  26           HG1      GLN  26 -12.754   1.592   1.592
  180   1HE2  GLN  26          HE22      GLN  26 -13.086   1.342   1.342
  181   2HE2  GLN  26          HE21      GLN  26 -13.760   0.289   0.289
  182    H    CYS  27           HN       CYS  27  -8.452   0.806   0.806
  183    HA   CYS  27           HA       CYS  27  -7.213  -1.718  -1.718
  184   1HB   CYS  27           HB2      CYS  27  -6.152   0.598   0.598
  185   2HB   CYS  27           HB1      CYS  27  -6.074   0.610   0.610
  186    H    ALA  28           HN       ALA  28  -8.472  -0.004  -0.004
  187    HA   ALA  28           HA       ALA  28  -7.351  -2.017  -2.017
  188   1HB   ALA  28           HB1      ALA  28  -9.121   0.396   0.396
  189   2HB   ALA  28           HB3      ALA  28  -8.529  -0.660  -0.660
  190   3HB   ALA  28           HB2      ALA  28  -7.390   0.280   0.280
  191    H    ASN  29           HN       ASN  29 -10.028  -1.850  -1.850
  192    HA   ASN  29           HA       ASN  29 -11.977  -3.030  -3.030
  193   1HB   ASN  29           HB2      ASN  29 -12.309  -1.621  -1.621
  194   2HB   ASN  29           HB1      ASN  29 -12.207  -3.211  -3.211
  195   1HD2  ASN  29          HD22      ASN  29 -15.749  -2.307  -2.307
  196   2HD2  ASN  29          HD21      ASN  29 -14.596  -1.325  -1.325
  197    H    LYS  30           HN       LYS  30  -9.749  -4.199  -4.199
  198    HA   LYS  30           HA       LYS  30 -10.716  -6.930  -6.930
  199   1HB   LYS  30           HB2      LYS  30  -8.798  -5.510  -5.510
  200   2HB   LYS  30           HB1      LYS  30  -8.535  -7.235  -7.235
  201   1HG   LYS  30           HG2      LYS  30 -10.816  -7.733  -7.733
  202   2HG   LYS  30           HG1      LYS  30 -11.169  -6.012  -6.012
  203   1HD   LYS  30           HD2      LYS  30  -8.913  -7.307  -7.307
  204   2HD   LYS  30           HD1      LYS  30 -10.562  -7.295  -7.295
  205   1HE   LYS  30           HE2      LYS  30 -10.576  -4.793  -4.793
  206   2HE   LYS  30           HE1      LYS  30  -8.861  -4.889  -4.889
  207   1HZ   LYS  30           HZ2      LYS  30  -8.472  -5.933  -5.933
  208   2HZ   LYS  30           HZ1      LYS  30 -10.121  -5.795  -5.795
  209   3HZ   LYS  30           HZ3      LYS  30  -9.181  -4.399  -4.399
  210    H    GLY  31           HN       GLY  31  -7.686  -5.114  -5.114
  211   1HA   GLY  31           HA2      GLY  31  -6.900  -5.827  -5.827
  212   2HA   GLY  31           HA1      GLY  31  -6.796  -7.421  -7.421
  213    H    CYS  32           HN       CYS  32  -6.080  -4.920  -4.920
  214    HA   CYS  32           HA       CYS  32  -3.262  -5.711  -5.711
  215   1HB   CYS  32           HB2      CYS  32  -4.648  -3.714  -3.714
  216   2HB   CYS  32           HB1      CYS  32  -3.102  -4.508  -4.508
  217    H    CYS  33           HN       CYS  33  -1.572  -4.375  -4.375
  218    HA   CYS  33           HA       CYS  33  -2.256  -2.179  -2.179
  219   1HB   CYS  33           HB2      CYS  33   0.264  -3.480  -3.480
  220   2HB   CYS  33           HB1      CYS  33   0.385  -1.835  -1.835
  221    H    PHE  34           HN       PHE  34  -2.597  -0.085  -0.085
  222    HA   PHE  34           HA       PHE  34  -2.008   0.756   0.756
  223   1HB   PHE  34           HB2      PHE  34  -4.271   1.135   1.135
  224   2HB   PHE  34           HB1      PHE  34  -3.475   2.281   2.281
  225    HD1  PHE  34           HD2      PHE  34  -3.804   1.492   1.492
  226    HD2  PHE  34           HD1      PHE  34  -3.303   4.517   4.517
  227    HE1  PHE  34           HE2      PHE  34  -3.976   3.253   3.253
  228    HE2  PHE  34           HE1      PHE  34  -3.477   6.276   6.276
  229    HZ   PHE  34           HZ       PHE  34  -3.813   5.645   5.645
  230    H    ASP  35           HN       ASP  35  -0.672   2.598   2.598
  231    HA   ASP  35           HA       ASP  35   0.612   3.968   3.968
  232   1HB   ASP  35           HB2      ASP  35   1.961   1.884   1.884
  233   2HB   ASP  35           HB1      ASP  35   2.269   2.406   2.406
  234    H    ASP  36           HN       ASP  36  -0.176   5.936   5.936
  235    HA   ASP  36           HA       ASP  36   0.616   6.599   6.599
  236   1HB   ASP  36           HB2      ASP  36  -0.998   8.493   8.493
  237   2HB   ASP  36           HB1      ASP  36  -1.758   6.910   6.910
  238    H    THR  37           HN       THR  37   2.893   6.765   6.765
  239    HA   THR  37           HA       THR  37   3.212   9.457   9.457
  240    HB   THR  37           HB       THR  37   5.409   8.489   8.489
  241    HG1  THR  37           HG1      THR  37   5.827   6.477   6.477
  242   1HG2  THR  37          HG23      THR  37   3.034   8.641   8.641
  243   2HG2  THR  37          HG22      THR  37   3.151   6.882   6.882
  244   3HG2  THR  37          HG21      THR  37   4.386   7.820   7.820
  245    H    VAL  38           HN       VAL  38   4.629   7.057   7.057
  246    HA   VAL  38           HA       VAL  38   6.152   9.283   9.283
  247    HB   VAL  38           HB       VAL  38   6.628   6.299   6.299
  248   1HG1  VAL  38          HG13      VAL  38   7.966   8.776   8.776
  249   2HG1  VAL  38          HG12      VAL  38   8.939   7.342   7.342
  250   3HG1  VAL  38          HG11      VAL  38   7.620   7.261   7.261
  251   1HG2  VAL  38          HG23      VAL  38   7.885   8.408   8.408
  252   2HG2  VAL  38          HG22      VAL  38   7.101   6.910   6.910
  253   3HG2  VAL  38          HG21      VAL  38   8.653   6.856   6.856
  254    H    ARG  39           HN       ARG  39   6.260   9.251   9.251
  255    HA   ARG  39           HA       ARG  39   3.702   8.296   8.296
  256   1HB   ARG  39           HB2      ARG  39   4.808  10.748  10.748
  257   2HB   ARG  39           HB1      ARG  39   5.546  10.009  10.009
  258   1HG   ARG  39           HG2      ARG  39   3.411   9.481   9.481
  259   2HG   ARG  39           HG1      ARG  39   2.575   9.873   9.873
  260   1HD   ARG  39           HD2      ARG  39   2.321  11.711  11.711
  261   2HD   ARG  39           HD1      ARG  39   3.298  12.234  12.234
  262    HE   ARG  39           HE       ARG  39   4.453  11.420  11.420
  263   1HH1  ARG  39          HH21      ARG  39   4.426  13.390  13.390
  264   2HH1  ARG  39          HH22      ARG  39   5.823  14.300  14.300
  265   1HH2  ARG  39          HH11      ARG  39   6.277  12.631  12.631
  266   2HH2  ARG  39          HH12      ARG  39   6.864  13.874  13.874
  267    H    GLY  40           HN       GLY  40   3.906   7.575   7.575
  268   1HA   GLY  40           HA2      GLY  40   4.990   6.328   6.328
  269   2HA   GLY  40           HA1      GLY  40   6.453   6.326   6.326
  270    H    VAL  41           HN       VAL  41   5.908   5.134   5.134
  271    HA   VAL  41           HA       VAL  41   5.461   2.393   2.393
  272    HB   VAL  41           HB       VAL  41   5.636   2.020   2.020
  273   1HG1  VAL  41          HG11      VAL  41   7.654   3.785   3.785
  274   2HG1  VAL  41          HG13      VAL  41   7.952   3.105   3.105
  275   3HG1  VAL  41          HG12      VAL  41   7.705   2.036   2.036
  276   1HG2  VAL  41          HG21      VAL  41   5.604   5.045   5.045
  277   2HG2  VAL  41          HG23      VAL  41   4.574   3.957   3.957
  278   3HG2  VAL  41          HG22      VAL  41   6.280   4.123   4.123
  279    HA   PRO  42           HA       PRO  42   1.103   2.080   2.080
  280   1HB   PRO  42           HB2      PRO  42   1.043  -0.526  -0.526
  281   2HB   PRO  42           HB1      PRO  42   1.093  -0.072  -0.072
  282   1HG   PRO  42           HG2      PRO  42   3.106  -1.396  -1.396
  283   2HG   PRO  42           HG1      PRO  42   3.167  -0.905  -0.905
  284   1HD   PRO  42           HD2      PRO  42   4.338   0.419   0.419
  285   2HD   PRO  42           HD1      PRO  42   4.785   0.566   0.566
  286    H    TRP  43           HN       TRP  43  -0.122   2.867   2.867
  287    HA   TRP  43           HA       TRP  43   0.952   2.926   2.926
  288   1HB   TRP  43           HB2      TRP  43  -1.862   3.593   3.593
  289   2HB   TRP  43           HB1      TRP  43  -1.074   4.127   4.127
  290    HD1  TRP  43           HD1      TRP  43   1.742   4.944   4.944
  291    HE1  TRP  43           HE1      TRP  43   1.905   7.062   7.062
  292    HE3  TRP  43           HE3      TRP  43  -3.158   5.470   5.470
  293    HZ2  TRP  43           HZ2      TRP  43   0.185   8.755   8.755
  294    HZ3  TRP  43           HZ3      TRP  43  -3.867   7.344   7.344
  295    HH2  TRP  43           HH2      TRP  43  -2.204   8.985   8.985
  296    H    CYS  44           HN       CYS  44  -1.727   1.144   1.144
  297    HA   CYS  44           HA       CYS  44  -2.247  -0.330  -0.330
  298   1HB   CYS  44           HB2      CYS  44  -4.041   0.443   0.443
  299   2HB   CYS  44           HB1      CYS  44  -3.455  -0.835  -0.835
  300    H    PHE  45           HN       PHE  45  -0.796  -1.964  -1.964
  301    HA   PHE  45           HA       PHE  45  -0.208  -3.890  -3.890
  302   1HB   PHE  45           HB2      PHE  45   2.171  -3.918  -3.918
  303   2HB   PHE  45           HB1      PHE  45   1.693  -2.276  -2.276
  304    HD1  PHE  45           HD1      PHE  45   0.839  -0.858  -0.858
  305    HD2  PHE  45           HD2      PHE  45   3.538  -4.191  -4.191
  306    HE1  PHE  45           HE1      PHE  45   1.722  -0.065  -0.065
  307    HE2  PHE  45           HE2      PHE  45   4.423  -3.400  -3.400
  308    HZ   PHE  45           HZ       PHE  45   3.514  -1.336  -1.336
  309    H    TYR  46           HN       TYR  46   1.080  -5.848  -5.848
  310    HA   TYR  46           HA       TYR  46  -0.634  -6.825  -6.825
  311   1HB   TYR  46           HB2      TYR  46   1.677  -7.892  -7.892
  312   2HB   TYR  46           HB1      TYR  46   1.218  -8.716  -8.716
  313    HD1  TYR  46           HD2      TYR  46  -1.112  -9.598  -9.598
  314    HD2  TYR  46           HD1      TYR  46   0.309  -8.010  -8.010
  315    HE1  TYR  46           HE2      TYR  46  -3.009 -10.673 -10.673
  316    HE2  TYR  46           HE1      TYR  46  -1.589  -9.083  -9.083
  317    HH   TYR  46           HH       TYR  46  -3.305 -10.498 -10.498
  318    HA   PRO  47           HA       PRO  47   2.062  -5.983  -5.983
  319   1HB   PRO  47           HB2      PRO  47   1.284  -8.026  -8.026
  320   2HB   PRO  47           HB1      PRO  47   0.280  -6.616  -6.616
  321   1HG   PRO  47           HG2      PRO  47  -0.152  -9.358  -9.358
  322   2HG   PRO  47           HG1      PRO  47  -1.203  -7.958  -7.958
  323   1HD   PRO  47           HD2      PRO  47   0.687  -9.254  -9.254
  324   2HD   PRO  47           HD1      PRO  47  -0.694  -8.190  -8.190
  325    H    ASN  48           HN       ASN  48   3.498  -7.289  -7.289
  326    HA   ASN  48           HA       ASN  48   4.823  -9.642  -9.642
  327   1HB   ASN  48           HB2      ASN  48   5.995  -6.906  -6.906
  328   2HB   ASN  48           HB1      ASN  48   7.072  -8.210  -8.210
  329   1HD2  ASN  48          HD22      ASN  48   7.013  -7.995  -7.995
  330   2HD2  ASN  48          HD21      ASN  48   7.342  -6.865  -6.865
  331    H    THR  49           HN       THR  49   3.997 -10.404 -10.404
  332    HA   THR  49           HA       THR  49   4.944  -9.143  -9.143
  333    HB   THR  49           HB       THR  49   3.979 -11.164 -11.164
  334    HG1  THR  49           HG1      THR  49   2.904 -12.041 -12.041
  335   1HG2  THR  49          HG23      THR  49   2.626  -9.127  -9.127
  336   2HG2  THR  49          HG22      THR  49   2.079 -10.171 -10.171
  337   3HG2  THR  49          HG21      THR  49   1.725 -10.599 -10.599
  338    H    ILE  50           HN       ILE  50   6.797  -9.626  -9.626
  339    HA   ILE  50           HA       ILE  50   8.436 -11.888 -11.888
  340    HB   ILE  50           HB       ILE  50   9.442  -9.274  -9.274
  341   1HG1  ILE  50          HG12      ILE  50   9.679 -10.155 -10.155
  342   2HG1  ILE  50          HG11      ILE  50   8.286  -9.228  -9.228
  343   1HG2  ILE  50          HG23      ILE  50  10.704 -11.804 -11.804
  344   2HG2  ILE  50          HG22      ILE  50  11.547 -10.281 -10.281
  345   3HG2  ILE  50          HG21      ILE  50  11.163 -10.783 -10.783
  346   1HD1  ILE  50          HD11      ILE  50  10.981  -8.220  -8.220
  347   2HD1  ILE  50          HD13      ILE  50  10.508  -8.035  -8.035
  348   3HD1  ILE  50          HD12      ILE  50   9.520  -7.320  -7.320
  349    H    ASP  51           HN       ASP  51   9.810 -12.924 -12.924
  350    HA   ASP  51           HA       ASP  51   9.446 -12.254 -12.254
  351   1HB   ASP  51           HB2      ASP  51   8.322 -14.411 -14.411
  352   2HB   ASP  51           HB1      ASP  51   7.291 -13.334 -13.334
  353    H    VAL  52           HN       VAL  52  10.888 -13.511 -13.511
  354    HA   VAL  52           HA       VAL  52  13.119 -14.630 -14.630
  355    HB   VAL  52           HB       VAL  52  14.100 -14.937 -14.937
  356   1HG1  VAL  52          HG13      VAL  52  12.878 -12.246 -12.246
  357   2HG1  VAL  52          HG12      VAL  52  14.115 -12.479 -12.479
  358   3HG1  VAL  52          HG11      VAL  52  14.478 -12.829 -12.829
  359   1HG2  VAL  52          HG23      VAL  52  11.333 -14.008 -14.008
  360   2HG2  VAL  52          HG22      VAL  52  12.238 -15.391 -15.391
  361   3HG2  VAL  52          HG21      VAL  52  12.711 -13.754 -13.754
  362    HA   PRO  53           HA       PRO  53  12.111 -18.940 -18.940
  363   1HB   PRO  53           HB2      PRO  53  14.554 -19.591 -19.591
  364   2HB   PRO  53           HB1      PRO  53  14.135 -19.961 -19.961
  365   1HG   PRO  53           HG2      PRO  53  15.810 -17.857 -17.857
  366   2HG   PRO  53           HG1      PRO  53  15.464 -18.288 -18.288
  367   1HD   PRO  53           HD2      PRO  53  14.629 -15.951 -15.951
  368   2HD   PRO  53           HD1      PRO  53  13.845 -16.685 -16.685
  369    HA   PRO  54           HA       PRO  54  10.689 -19.381 -19.381
  370   1HB   PRO  54           HB2      PRO  54   8.007 -19.506 -19.506
  371   2HB   PRO  54           HB1      PRO  54   8.877 -18.013 -18.013
  372   1HG   PRO  54           HG2      PRO  54   7.750 -18.793 -18.793
  373   2HG   PRO  54           HG1      PRO  54   8.619 -17.302 -17.302
  374   1HD   PRO  54           HD2      PRO  54   9.617 -19.751 -19.751
  375   2HD   PRO  54           HD1      PRO  54  10.248 -18.090 -18.090
  376    H    GLU  55           HN       GLU  55   8.595 -20.945 -20.945
  377    HA   GLU  55           HA       GLU  55   9.569 -23.582 -23.582
  378   1HB   GLU  55           HB2      GLU  55   7.635 -22.994 -22.994
  379   2HB   GLU  55           HB1      GLU  55   6.626 -22.860 -22.860
  380   1HG   GLU  55           HG2      GLU  55   6.652 -25.136 -25.136
  381   2HG   GLU  55           HG1      GLU  55   8.227 -25.359 -25.359
  382    H    GLU  56           HN       GLU  56   9.773 -24.879 -24.879
  383    HA   GLU  56           HA       GLU  56   8.805 -23.880 -23.880
  384   1HB   GLU  56           HB2      GLU  56  11.026 -25.242 -25.242
  385   2HB   GLU  56           HB1      GLU  56   9.985 -26.603 -26.603
  386   1HG   GLU  56           HG2      GLU  56   9.415 -25.253 -25.253
  387   2HG   GLU  56           HG1      GLU  56  10.844 -24.295 -24.295
  388    H    GLU  57           HN       GLU  57   7.584 -25.393 -25.393
  389    HA   GLU  57           HA       GLU  57   5.732 -27.138 -27.138
  390   1HB   GLU  57           HB2      GLU  57   4.760 -24.886 -24.886
  391   2HB   GLU  57           HB1      GLU  57   4.926 -25.462 -25.462
  392   1HG   GLU  57           HG2      GLU  57   2.790 -26.217 -26.217
  393   2HG   GLU  57           HG1      GLU  57   3.688 -27.602 -27.602
  394    H    SER  58           HN       SER  58   6.462 -29.159 -29.159
  395    HA   SER  58           HA       SER  58   7.084 -29.558 -29.558
  396   1HB   SER  58           HB2      SER  58   8.115 -31.620 -31.620
  397   2HB   SER  58           HB1      SER  58   8.633 -30.386 -30.386
  398    HG   SER  58           HG       SER  58   7.682 -32.567 -32.567
  399    H    GLU  59           HN       GLU  59   5.593 -30.501 -30.501
  400    HA   GLU  59           HA       GLU  59   3.517 -32.215 -32.215
  401   1HB   GLU  59           HB2      GLU  59   2.700 -29.835 -29.835
  402   2HB   GLU  59           HB1      GLU  59   2.914 -30.196 -30.196
  403   1HG   GLU  59           HG2      GLU  59   1.224 -31.804 -31.804
  404   2HG   GLU  59           HG1      GLU  59   1.353 -32.098 -32.098
  405    H    PHE  60           HN       PHE  60   4.061 -34.186 -34.186
  406    HA   PHE  60           HA       PHE  60   4.637 -34.223 -34.223
  407   1HB   PHE  60           HB2      PHE  60   5.713 -36.434 -36.434
  408   2HB   PHE  60           HB1      PHE  60   6.494 -35.091 -35.091
  409    HD1  PHE  60           HD1      PHE  60   5.854 -34.629 -34.629
  410    HD2  PHE  60           HD2      PHE  60   4.787 -38.246 -38.246
  411    HE1  PHE  60           HE1      PHE  60   5.445 -35.745 -35.745
  412    HE2  PHE  60           HE2      PHE  60   4.379 -39.362 -39.362
  413    HZ   PHE  60           HZ       PHE  60   4.707 -38.112 -38.112

  Start of MODEL   13
    1   1H    GLU   1           HT1      GLU   1   5.580 -15.062 -15.062
    2   2H    GLU   1           HT3      GLU   1   4.182 -15.390 -15.390
    3   3H    GLU   1           HT2      GLU   1   4.820 -16.576 -16.576
    4    HA   GLU   1           HA       GLU   1   3.386 -15.878 -15.878
    5   1HB   GLU   1           HB2      GLU   1   3.193 -13.352 -13.352
    6   2HB   GLU   1           HB1      GLU   1   2.173 -13.717 -13.717
    7   1HG   GLU   1           HG2      GLU   1   1.041 -15.420 -15.420
    8   2HG   GLU   1           HG1      GLU   1   2.381 -15.739 -15.739
    9    H    ALA   2           HN       ALA   2   3.839 -15.081 -15.081
   10    HA   ALA   2           HA       ALA   2   5.652 -12.782 -12.782
   11   1HB   ALA   2           HB2      ALA   2   6.296 -15.606 -15.606
   12   2HB   ALA   2           HB1      ALA   2   6.831 -14.328 -14.328
   13   3HB   ALA   2           HB3      ALA   2   7.361 -14.333 -14.333
   14    H    GLN   3           HN       GLN   3   3.655 -11.802 -11.802
   15    HA   GLN   3           HA       GLN   3   3.205 -12.591 -12.591
   16   1HB   GLN   3           HB2      GLN   3   1.210 -12.397 -12.397
   17   2HB   GLN   3           HB1      GLN   3   0.728 -11.800 -11.800
   18   1HG   GLN   3           HG2      GLN   3   0.140 -14.017 -14.017
   19   2HG   GLN   3           HG1      GLN   3   1.819 -14.110 -14.110
   20   1HE2  GLN   3          HE22      GLN   3   0.803 -15.656 -15.656
   21   2HE2  GLN   3          HE21      GLN   3  -0.233 -14.539 -14.539
   22    H    THR   4           HN       THR   4   4.193 -10.792 -10.792
   23    HA   THR   4           HA       THR   4   3.119  -8.153  -8.153
   24    HB   THR   4           HB       THR   4   5.324  -7.205  -7.205
   25    HG1  THR   4           HG1      THR   4   5.630  -9.753  -9.753
   26   1HG2  THR   4          HG23      THR   4   5.362  -9.400  -9.400
   27   2HG2  THR   4          HG22      THR   4   6.609  -8.161  -8.161
   28   3HG2  THR   4          HG21      THR   4   4.957  -7.703  -7.703
   29    H    GLU   5           HN       GLU   5   2.459  -6.782  -6.782
   30    HA   GLU   5           HA       GLU   5   2.587  -7.981  -7.981
   31   1HB   GLU   5           HB2      GLU   5   0.600  -6.100  -6.100
   32   2HB   GLU   5           HB1      GLU   5   0.634  -6.407  -6.407
   33   1HG   GLU   5           HG2      GLU   5  -0.954  -7.953  -7.953
   34   2HG   GLU   5           HG1      GLU   5   0.512  -8.904  -8.904
   35    H    THR   6           HN       THR   6   3.447  -6.755  -6.755
   36    HA   THR   6           HA       THR   6   4.056  -3.925  -3.925
   37    HB   THR   6           HB       THR   6   6.303  -5.688  -5.688
   38    HG1  THR   6           HG1      THR   6   5.427  -5.231  -5.231
   39   1HG2  THR   6          HG21      THR   6   6.440  -3.225  -3.225
   40   2HG2  THR   6          HG23      THR   6   6.182  -3.072  -3.072
   41   3HG2  THR   6          HG22      THR   6   7.644  -3.848  -3.848
   42    H    CYS   7           HN       CYS   7   3.975  -2.770  -2.770
   43    HA   CYS   7           HA       CYS   7   3.624  -4.396  -4.396
   44   1HB   CYS   7           HB2      CYS   7   2.651  -1.587  -1.587
   45   2HB   CYS   7           HB1      CYS   7   2.345  -2.480  -2.480
   46    H    THR   8           HN       THR   8   6.238  -3.637  -3.637
   47    HA   THR   8           HA       THR   8   7.124  -1.441  -1.441
   48    HB   THR   8           HB       THR   8   8.005  -1.491  -1.491
   49    HG1  THR   8           HG1      THR   8  10.230  -2.404  -2.404
   50   1HG2  THR   8          HG22      THR   8   7.851  -4.199  -4.199
   51   2HG2  THR   8          HG21      THR   8   9.579  -3.962  -3.962
   52   3HG2  THR   8          HG23      THR   8   8.812  -3.358  -3.358
   53    H    VAL   9           HN       VAL   9   7.971  -1.820  -1.820
   54    HA   VAL   9           HA       VAL   9   9.372  -4.353  -4.353
   55    HB   VAL   9           HB       VAL   9   7.100  -3.379  -3.379
   56   1HG1  VAL   9          HG11      VAL   9   9.123  -5.587  -5.587
   57   2HG1  VAL   9          HG13      VAL   9   7.515  -5.866  -5.866
   58   3HG1  VAL   9          HG12      VAL   9   8.511  -4.549  -4.549
   59   1HG2  VAL   9          HG23      VAL   9   7.267  -5.614  -5.614
   60   2HG2  VAL   9          HG22      VAL   9   6.127  -4.268  -4.268
   61   3HG2  VAL   9          HG21      VAL   9   6.020  -5.540  -5.540
   62    H    ALA  10           HN       ALA  10  10.561  -4.236  -4.236
   63    HA   ALA  10           HA       ALA  10  11.736  -1.609  -1.609
   64   1HB   ALA  10           HB1      ALA  10  12.387  -4.334  -4.334
   65   2HB   ALA  10           HB3      ALA  10  12.648  -3.228  -3.228
   66   3HB   ALA  10           HB2      ALA  10  13.458  -2.948  -2.948
   67    HA   PRO  11           HA       PRO  11   9.092   0.418   0.418
   68   1HB   PRO  11           HB2      PRO  11  11.480   0.856   0.856
   69   2HB   PRO  11           HB1      PRO  11  10.417   2.038   2.038
   70   1HG   PRO  11           HG2      PRO  11  12.974   1.101   1.101
   71   2HG   PRO  11           HG1      PRO  11  11.927   2.315   2.315
   72   1HD   PRO  11           HD2      PRO  11  12.506  -0.159  -0.159
   73   2HD   PRO  11           HD1      PRO  11  11.090   0.826   0.826
   74    H    ARG  12           HN       ARG  12  11.773  -1.360  -1.360
   75    HA   ARG  12           HA       ARG  12  10.084  -2.062  -2.062
   76   1HB   ARG  12           HB2      ARG  12  12.884  -2.658  -2.658
   77   2HB   ARG  12           HB1      ARG  12  12.144  -3.704  -3.704
   78   1HG   ARG  12           HG2      ARG  12  11.926  -0.732  -0.732
   79   2HG   ARG  12           HG1      ARG  12  13.441  -1.529  -1.529
   80   1HD   ARG  12           HD2      ARG  12  12.385  -2.905  -2.905
   81   2HD   ARG  12           HD1      ARG  12  10.775  -2.509  -2.509
   82    HE   ARG  12           HE       ARG  12  11.932  -0.094  -0.094
   83   1HH1  ARG  12          HH11      ARG  12  11.071  -3.149  -3.149
   84   2HH1  ARG  12          HH12      ARG  12  10.767  -2.471  -2.471
   85   1HH2  ARG  12          HH21      ARG  12  11.529   0.772   0.772
   86   2HH2  ARG  12          HH22      ARG  12  11.026  -0.262  -0.262
   87    H    GLU  13           HN       GLU  13  11.080  -3.640  -3.640
   88    HA   GLU  13           HA       GLU  13   9.970  -6.205  -6.205
   89   1HB   GLU  13           HB2      GLU  13  11.080  -5.153  -5.153
   90   2HB   GLU  13           HB1      GLU  13  10.445  -6.788  -6.788
   91   1HG   GLU  13           HG2      GLU  13  12.085  -6.764  -6.764
   92   2HG   GLU  13           HG1      GLU  13  12.933  -5.578  -5.578
   93    H    ARG  14           HN       ARG  14   8.277  -3.626  -3.626
   94    HA   ARG  14           HA       ARG  14   6.429  -4.343  -4.343
   95   1HB   ARG  14           HB2      ARG  14   6.742  -2.036  -2.036
   96   2HB   ARG  14           HB1      ARG  14   5.158  -2.336  -2.336
   97   1HG   ARG  14           HG2      ARG  14   6.283  -2.386  -2.386
   98   2HG   ARG  14           HG1      ARG  14   7.762  -1.842  -1.842
   99   1HD   ARG  14           HD2      ARG  14   6.568   0.155   0.155
  100   2HD   ARG  14           HD1      ARG  14   5.104  -0.383  -0.383
  101    HE   ARG  14           HE       ARG  14   7.351  -0.187  -0.187
  102   1HH1  ARG  14          HH11      ARG  14   4.846   1.594   1.594
  103   2HH1  ARG  14          HH12      ARG  14   4.804   2.870   2.870
  104   1HH2  ARG  14          HH21      ARG  14   7.279   1.498   1.498
  105   2HH2  ARG  14          HH22      ARG  14   6.174   2.815   2.815
  106    H    GLN  15           HN       GLN  15   4.682  -5.662  -5.662
  107    HA   GLN  15           HA       GLN  15   4.080  -6.474  -6.474
  108   1HB   GLN  15           HB2      GLN  15   3.554  -7.523  -7.523
  109   2HB   GLN  15           HB1      GLN  15   2.277  -7.809  -7.809
  110   1HG   GLN  15           HG2      GLN  15   3.585  -9.197  -9.197
  111   2HG   GLN  15           HG1      GLN  15   5.070  -8.327  -8.327
  112   1HE2  GLN  15          HE22      GLN  15   5.443 -10.081 -10.081
  113   2HE2  GLN  15          HE21      GLN  15   5.564  -8.507  -8.507
  114    H    ASN  16           HN       ASN  16   2.530  -5.419  -5.419
  115    HA   ASN  16           HA       ASN  16   0.883  -3.400  -3.400
  116   1HB   ASN  16           HB2      ASN  16   1.712  -3.912  -3.912
  117   2HB   ASN  16           HB1      ASN  16   0.081  -4.581  -4.581
  118   1HD2  ASN  16          HD22      ASN  16   0.021  -0.867  -0.867
  119   2HD2  ASN  16          HD21      ASN  16   0.927  -2.152  -2.152
  120    H    CYS  17           HN       CYS  17  -0.922  -3.780  -3.780
  121    HA   CYS  17           HA       CYS  17  -2.232  -6.388  -6.388
  122   1HB   CYS  17           HB2      CYS  17  -1.709  -4.861  -4.861
  123   2HB   CYS  17           HB1      CYS  17  -3.277  -4.180  -4.180
  124    H    GLY  18           HN       GLY  18  -2.665  -3.095  -3.095
  125   1HA   GLY  18           HA2      GLY  18  -4.839  -3.829  -3.829
  126   2HA   GLY  18           HA1      GLY  18  -5.402  -2.869  -2.869
  127    H    PHE  19           HN       PHE  19  -5.760  -1.661  -1.661
  128    HA   PHE  19           HA       PHE  19  -3.510  -0.174  -0.174
  129   1HB   PHE  19           HB2      PHE  19  -5.314   1.328   1.328
  130   2HB   PHE  19           HB1      PHE  19  -5.325  -0.361  -0.361
  131    HD1  PHE  19           HD1      PHE  19  -6.963  -1.959  -1.959
  132    HD2  PHE  19           HD2      PHE  19  -7.185   2.303   2.303
  133    HE1  PHE  19           HE1      PHE  19  -9.317  -2.171  -2.171
  134    HE2  PHE  19           HE2      PHE  19  -9.541   2.087   2.087
  135    HZ   PHE  19           HZ       PHE  19 -10.603  -0.148  -0.148
  136    HA   PRO  20           HA       PRO  20  -3.355   3.138   3.138
  137   1HB   PRO  20           HB2      PRO  20  -2.711   5.266   5.266
  138   2HB   PRO  20           HB1      PRO  20  -1.573   4.081   4.081
  139   1HG   PRO  20           HG2      PRO  20  -2.394   4.432   4.432
  140   2HG   PRO  20           HG1      PRO  20  -1.241   3.261   3.261
  141   1HD   PRO  20           HD2      PRO  20  -4.033   2.853   2.853
  142   2HD   PRO  20           HD1      PRO  20  -2.762   1.653   1.653
  143    H    GLY  21           HN       GLY  21  -5.419   3.763   3.763
  144   1HA   GLY  21           HA2      GLY  21  -6.668   6.132   6.132
  145   2HA   GLY  21           HA1      GLY  21  -7.417   4.921   4.921
  146    H    VAL  22           HN       VAL  22  -6.728   3.032   3.032
  147    HA   VAL  22           HA       VAL  22  -9.367   2.907   2.907
  148    HB   VAL  22           HB       VAL  22  -8.342   1.525   1.525
  149   1HG1  VAL  22          HG11      VAL  22  -8.929   0.623   0.623
  150   2HG1  VAL  22          HG13      VAL  22  -7.238   0.845   0.845
  151   3HG1  VAL  22          HG12      VAL  22  -7.668  -0.278  -0.278
  152   1HG2  VAL  22          HG22      VAL  22  -5.819   2.505   2.505
  153   2HG2  VAL  22          HG21      VAL  22  -6.238   2.580   2.580
  154   3HG2  VAL  22          HG23      VAL  22  -5.849   1.030   1.030
  155    H    THR  23           HN       THR  23  -9.301   2.910   2.910
  156    HA   THR  23           HA       THR  23  -8.266   5.551   5.551
  157    HB   THR  23           HB       THR  23 -10.531   5.911   5.911
  158    HG1  THR  23           HG1      THR  23 -11.532   4.239   4.239
  159   1HG2  THR  23          HG22      THR  23  -9.991   6.068   6.068
  160   2HG2  THR  23          HG21      THR  23 -11.596   6.498   6.498
  161   3HG2  THR  23          HG23      THR  23 -10.177   7.371   7.371
  162    HA   PRO  24           HA       PRO  24  -6.910   3.889   3.889
  163   1HB   PRO  24           HB2      PRO  24  -8.862   5.420   5.420
  164   2HB   PRO  24           HB1      PRO  24  -7.102   5.584   5.584
  165   1HG   PRO  24           HG2      PRO  24  -9.111   7.168   7.168
  166   2HG   PRO  24           HG1      PRO  24  -7.365   7.437   7.437
  167   1HD   PRO  24           HD2      PRO  24  -8.687   6.755   6.755
  168   2HD   PRO  24           HD1      PRO  24  -6.966   6.431   6.431
  169    H    SER  25           HN       SER  25 -10.451   4.164   4.164
  170    HA   SER  25           HA       SER  25 -11.069   2.146   2.146
  171   1HB   SER  25           HB2      SER  25 -12.609   4.017   4.017
  172   2HB   SER  25           HB1      SER  25 -12.840   3.053   3.053
  173    HG   SER  25           HG       SER  25 -13.975   1.645   1.645
  174    H    GLN  26           HN       GLN  26 -10.786   2.201   2.201
  175    HA   GLN  26           HA       GLN  26 -11.648  -0.477  -0.477
  176   1HB   GLN  26           HB2      GLN  26 -10.178   1.573   1.573
  177   2HB   GLN  26           HB1      GLN  26 -10.034  -0.106  -0.106
  178   1HG   GLN  26           HG2      GLN  26 -12.703   0.004   0.004
  179   2HG   GLN  26           HG1      GLN  26 -12.406   1.684   1.684
  180   1HE2  GLN  26          HE21      GLN  26 -12.646   2.002   2.002
  181   2HE2  GLN  26          HE22      GLN  26 -12.272   0.864   0.864
  182    H    CYS  27           HN       CYS  27  -8.326   0.918   0.918
  183    HA   CYS  27           HA       CYS  27  -6.968  -1.553  -1.553
  184   1HB   CYS  27           HB2      CYS  27  -6.006   0.821   0.821
  185   2HB   CYS  27           HB1      CYS  27  -6.000   0.805   0.805
  186    H    ALA  28           HN       ALA  28  -8.464   0.086   0.086
  187    HA   ALA  28           HA       ALA  28  -7.339  -1.867  -1.867
  188   1HB   ALA  28           HB1      ALA  28  -7.833   0.677   0.677
  189   2HB   ALA  28           HB3      ALA  28  -9.481   0.115   0.115
  190   3HB   ALA  28           HB2      ALA  28  -8.156  -0.489  -0.489
  191    H    ASN  29           HN       ASN  29  -9.912  -1.840  -1.840
  192    HA   ASN  29           HA       ASN  29 -11.941  -3.050  -3.050
  193   1HB   ASN  29           HB2      ASN  29 -12.309  -1.824  -1.824
  194   2HB   ASN  29           HB1      ASN  29 -11.667  -3.259  -3.259
  195   1HD2  ASN  29          HD22      ASN  29 -15.476  -3.392  -3.392
  196   2HD2  ASN  29          HD21      ASN  29 -14.504  -2.091  -2.091
  197    H    LYS  30           HN       LYS  30  -9.726  -4.360  -4.360
  198    HA   LYS  30           HA       LYS  30 -10.423  -7.084  -7.084
  199   1HB   LYS  30           HB2      LYS  30  -8.371  -5.707  -5.707
  200   2HB   LYS  30           HB1      LYS  30  -8.166  -7.420  -7.420
  201   1HG   LYS  30           HG2      LYS  30 -10.709  -7.560  -7.560
  202   2HG   LYS  30           HG1      LYS  30 -10.337  -6.066  -6.066
  203   1HD   LYS  30           HD2      LYS  30  -8.947  -7.113  -7.113
  204   2HD   LYS  30           HD1      LYS  30  -8.384  -8.290  -8.290
  205   1HE   LYS  30           HE2      LYS  30 -10.862  -9.173  -9.173
  206   2HE   LYS  30           HE1      LYS  30 -10.858  -8.349  -8.349
  207   1HZ   LYS  30           HZ1      LYS  30  -8.485  -9.800  -9.800
  208   2HZ   LYS  30           HZ3      LYS  30  -9.813 -10.816 -10.816
  209   3HZ   LYS  30           HZ2      LYS  30  -9.683  -9.961  -9.961
  210    H    GLY  31           HN       GLY  31  -7.565  -5.018  -5.018
  211   1HA   GLY  31           HA2      GLY  31  -6.877  -5.381  -5.381
  212   2HA   GLY  31           HA1      GLY  31  -6.661  -7.053  -7.053
  213    H    CYS  32           HN       CYS  32  -5.975  -4.707  -4.707
  214    HA   CYS  32           HA       CYS  32  -3.157  -5.439  -5.439
  215   1HB   CYS  32           HB2      CYS  32  -4.552  -3.421  -3.421
  216   2HB   CYS  32           HB1      CYS  32  -3.000  -4.200  -4.200
  217    H    CYS  33           HN       CYS  33  -1.449  -4.060  -4.060
  218    HA   CYS  33           HA       CYS  33  -2.109  -1.916  -1.916
  219   1HB   CYS  33           HB2      CYS  33   0.557  -2.663  -2.663
  220   2HB   CYS  33           HB1      CYS  33   0.323  -1.601  -1.601
  221    H    PHE  34           HN       PHE  34  -2.581   0.165   0.165
  222    HA   PHE  34           HA       PHE  34  -1.988   1.031   1.031
  223   1HB   PHE  34           HB2      PHE  34  -4.280   1.327   1.327
  224   2HB   PHE  34           HB1      PHE  34  -3.542   2.509   2.509
  225    HD1  PHE  34           HD2      PHE  34  -3.526   1.691   1.691
  226    HD2  PHE  34           HD1      PHE  34  -3.700   4.735   4.735
  227    HE1  PHE  34           HE2      PHE  34  -3.726   3.428   3.428
  228    HE2  PHE  34           HE1      PHE  34  -3.902   6.471   6.471
  229    HZ   PHE  34           HZ       PHE  34  -3.915   5.819   5.819
  230    H    ASP  35           HN       ASP  35  -0.617   2.799   2.799
  231    HA   ASP  35           HA       ASP  35   0.465   4.409   4.409
  232   1HB   ASP  35           HB2      ASP  35   1.803   2.287   2.287
  233   2HB   ASP  35           HB1      ASP  35   2.330   2.578   2.578
  234    H    ASP  36           HN       ASP  36  -0.106   6.271   6.271
  235    HA   ASP  36           HA       ASP  36   1.014   6.492   6.492
  236   1HB   ASP  36           HB2      ASP  36  -0.590   8.395   8.395
  237   2HB   ASP  36           HB1      ASP  36  -1.391   6.857   6.857
  238    H    THR  37           HN       THR  37   3.169   6.883   6.883
  239    HA   THR  37           HA       THR  37   3.354   9.695   9.695
  240    HB   THR  37           HB       THR  37   5.359   8.972   8.972
  241    HG1  THR  37           HG1      THR  37   5.283   6.504   6.504
  242   1HG2  THR  37          HG21      THR  37   3.127   9.004   9.004
  243   2HG2  THR  37          HG23      THR  37   2.882   7.327   7.327
  244   3HG2  THR  37          HG22      THR  37   4.153   7.735   7.735
  245    H    VAL  38           HN       VAL  38   4.888   7.086   7.086
  246    HA   VAL  38           HA       VAL  38   6.600   9.151   9.151
  247    HB   VAL  38           HB       VAL  38   6.951   6.139   6.139
  248   1HG1  VAL  38          HG12      VAL  38   7.937   7.711   7.711
  249   2HG1  VAL  38          HG11      VAL  38   9.063   8.200   8.200
  250   3HG1  VAL  38          HG13      VAL  38   8.986   6.513   6.513
  251   1HG2  VAL  38          HG23      VAL  38   7.973   8.317   8.317
  252   2HG2  VAL  38          HG22      VAL  38   7.376   6.712   6.712
  253   3HG2  VAL  38          HG21      VAL  38   8.970   6.894   6.894
  254    H    ARG  39           HN       ARG  39   6.588   9.337   9.337
  255    HA   ARG  39           HA       ARG  39   4.217   8.216   8.216
  256   1HB   ARG  39           HB2      ARG  39   6.203  10.373  10.373
  257   2HB   ARG  39           HB1      ARG  39   5.302   9.647   9.647
  258   1HG   ARG  39           HG2      ARG  39   3.851  10.562  10.562
  259   2HG   ARG  39           HG1      ARG  39   4.293  11.729  11.729
  260   1HD   ARG  39           HD2      ARG  39   3.201   9.594   9.594
  261   2HD   ARG  39           HD1      ARG  39   2.167   9.733   9.733
  262    HE   ARG  39           HE       ARG  39   2.241  12.280  12.280
  263   1HH1  ARG  39          HH21      ARG  39   2.041   9.431   9.431
  264   2HH1  ARG  39          HH22      ARG  39   1.171  10.228  10.228
  265   1HH2  ARG  39          HH11      ARG  39   1.100  13.300  13.300
  266   2HH2  ARG  39          HH12      ARG  39   0.642  12.408  12.408
  267    H    GLY  40           HN       GLY  40   4.709   7.576   7.576
  268   1HA   GLY  40           HA2      GLY  40   5.891   6.235   6.235
  269   2HA   GLY  40           HA1      GLY  40   7.241   6.197   6.197
  270    H    VAL  41           HN       VAL  41   6.545   5.019   5.019
  271    HA   VAL  41           HA       VAL  41   5.908   2.311   2.311
  272    HB   VAL  41           HB       VAL  41   6.082   1.919   1.919
  273   1HG1  VAL  41          HG13      VAL  41   8.212   3.531   3.531
  274   2HG1  VAL  41          HG12      VAL  41   8.475   2.831   2.831
  275   3HG1  VAL  41          HG11      VAL  41   8.137   1.782   1.782
  276   1HG2  VAL  41          HG22      VAL  41   6.247   4.938   4.938
  277   2HG2  VAL  41          HG21      VAL  41   5.184   3.910   3.910
  278   3HG2  VAL  41          HG23      VAL  41   6.910   3.982   3.982
  279    HA   PRO  42           HA       PRO  42   1.548   2.347   2.347
  280   1HB   PRO  42           HB2      PRO  42   1.279  -0.188  -0.188
  281   2HB   PRO  42           HB1      PRO  42   1.329   0.166   0.166
  282   1HG   PRO  42           HG2      PRO  42   3.261  -1.226  -1.226
  283   2HG   PRO  42           HG1      PRO  42   3.303  -0.880  -0.880
  284   1HD   PRO  42           HD2      PRO  42   4.711   0.472   0.472
  285   2HD   PRO  42           HD1      PRO  42   5.038   0.517   0.517
  286    H    TRP  43           HN       TRP  43  -0.008   2.621   2.621
  287    HA   TRP  43           HA       TRP  43   1.256   3.069   3.069
  288   1HB   TRP  43           HB2      TRP  43  -1.568   3.758   3.758
  289   2HB   TRP  43           HB1      TRP  43  -0.681   4.398   4.398
  290    HD1  TRP  43           HD1      TRP  43   2.067   5.056   5.056
  291    HE1  TRP  43           HE1      TRP  43   2.204   7.016   7.016
  292    HE3  TRP  43           HE3      TRP  43  -2.866   5.500   5.500
  293    HZ2  TRP  43           HZ2      TRP  43   0.454   8.567   8.567
  294    HZ3  TRP  43           HZ3      TRP  43  -3.601   7.224   7.224
  295    HH2  TRP  43           HH2      TRP  43  -1.948   8.758   8.758
  296    H    CYS  44           HN       CYS  44  -1.430   1.227   1.227
  297    HA   CYS  44           HA       CYS  44  -2.015  -0.053  -0.053
  298   1HB   CYS  44           HB2      CYS  44  -3.800   0.648   0.648
  299   2HB   CYS  44           HB1      CYS  44  -3.216  -0.643  -0.643
  300    H    PHE  45           HN       PHE  45  -0.453  -1.585  -1.585
  301    HA   PHE  45           HA       PHE  45   0.132  -3.629  -3.629
  302   1HB   PHE  45           HB2      PHE  45   2.434  -3.788  -3.788
  303   2HB   PHE  45           HB1      PHE  45   2.098  -2.156  -2.156
  304    HD1  PHE  45           HD1      PHE  45   1.081  -0.535  -0.535
  305    HD2  PHE  45           HD2      PHE  45   3.461  -4.023  -4.023
  306    HE1  PHE  45           HE1      PHE  45   1.682   0.365   0.365
  307    HE2  PHE  45           HE2      PHE  45   4.066  -3.124  -3.124
  308    HZ   PHE  45           HZ       PHE  45   3.175  -0.928  -0.928
  309    H    TYR  46           HN       TYR  46   1.290  -5.608  -5.608
  310    HA   TYR  46           HA       TYR  46  -0.718  -6.499  -6.499
  311   1HB   TYR  46           HB2      TYR  46   1.632  -7.722  -7.722
  312   2HB   TYR  46           HB1      TYR  46   0.993  -8.519  -8.519
  313    HD1  TYR  46           HD2      TYR  46  -1.480  -9.117  -9.117
  314    HD2  TYR  46           HD1      TYR  46   0.505  -7.866  -7.866
  315    HE1  TYR  46           HE2      TYR  46  -3.331 -10.064 -10.064
  316    HE2  TYR  46           HE1      TYR  46  -1.345  -8.814  -8.814
  317    HH   TYR  46           HH       TYR  46  -4.076 -10.499 -10.499
  318    HA   PRO  47           HA       PRO  47   1.720  -5.872  -5.872
  319   1HB   PRO  47           HB2      PRO  47   0.770  -7.994  -7.994
  320   2HB   PRO  47           HB1      PRO  47  -0.108  -6.485  -6.485
  321   1HG   PRO  47           HG2      PRO  47  -0.760  -9.105  -9.105
  322   2HG   PRO  47           HG1      PRO  47  -1.642  -7.595  -7.595
  323   1HD   PRO  47           HD2      PRO  47   0.220  -9.011  -9.011
  324   2HD   PRO  47           HD1      PRO  47  -1.035  -7.814  -7.814
  325    H    ASN  48           HN       ASN  48   3.235  -7.009  -7.009
  326    HA   ASN  48           HA       ASN  48   4.494  -9.438  -9.438
  327   1HB   ASN  48           HB2      ASN  48   5.714  -6.727  -6.727
  328   2HB   ASN  48           HB1      ASN  48   6.715  -8.103  -8.103
  329   1HD2  ASN  48          HD22      ASN  48   7.519  -8.606  -8.606
  330   2HD2  ASN  48          HD21      ASN  48   8.069  -8.428  -8.428
  331    H    THR  49           HN       THR  49   3.355 -10.337 -10.337
  332    HA   THR  49           HA       THR  49   4.325  -9.433  -9.433
  333    HB   THR  49           HB       THR  49   2.744 -11.061 -11.061
  334    HG1  THR  49           HG1      THR  49   1.734 -11.812 -11.812
  335   1HG2  THR  49          HG23      THR  49   1.747  -9.382  -9.382
  336   2HG2  THR  49          HG22      THR  49   0.651 -10.258 -10.258
  337   3HG2  THR  49          HG21      THR  49   1.702  -9.002  -9.002
  338    H    ILE  50           HN       ILE  50   5.768 -10.590 -10.590
  339    HA   ILE  50           HA       ILE  50   7.178 -12.807 -12.807
  340    HB   ILE  50           HB       ILE  50   7.976 -11.229 -11.229
  341   1HG1  ILE  50          HG12      ILE  50   9.134 -10.936 -10.936
  342   2HG1  ILE  50          HG11      ILE  50   7.758  -9.964  -9.964
  343   1HG2  ILE  50          HG23      ILE  50   9.414 -13.206 -13.206
  344   2HG2  ILE  50          HG22      ILE  50  10.249 -12.158 -12.158
  345   3HG2  ILE  50          HG21      ILE  50   9.095 -13.358 -13.358
  346   1HD1  ILE  50          HD13      ILE  50   9.211  -9.406  -9.406
  347   2HD1  ILE  50          HD12      ILE  50  10.561 -10.002 -10.002
  348   3HD1  ILE  50          HD11      ILE  50   9.618  -8.622  -8.622
  349    H    ASP  51           HN       ASP  51   7.520 -14.823 -14.823
  350    HA   ASP  51           HA       ASP  51   5.937 -15.157 -15.157
  351   1HB   ASP  51           HB2      ASP  51   5.730 -16.717 -16.717
  352   2HB   ASP  51           HB1      ASP  51   5.313 -17.461 -17.461
  353    H    VAL  52           HN       VAL  52   6.453 -17.447 -17.447
  354    HA   VAL  52           HA       VAL  52   9.381 -17.840 -17.840
  355    HB   VAL  52           HB       VAL  52   9.178 -18.856 -18.856
  356   1HG1  VAL  52          HG11      VAL  52   9.745 -16.456 -16.456
  357   2HG1  VAL  52          HG13      VAL  52   8.030 -16.058 -16.058
  358   3HG1  VAL  52          HG12      VAL  52   8.863 -16.732 -16.732
  359   1HG2  VAL  52          HG21      VAL  52   6.303 -18.298 -18.298
  360   2HG2  VAL  52          HG23      VAL  52   7.030 -19.599 -19.599
  361   3HG2  VAL  52          HG22      VAL  52   6.862 -17.992 -17.992
  362    HA   PRO  53           HA       PRO  53   7.481 -21.376 -21.376
  363   1HB   PRO  53           HB2      PRO  53  10.312 -21.966 -21.966
  364   2HB   PRO  53           HB1      PRO  53   9.057 -21.585 -21.585
  365   1HG   PRO  53           HG2      PRO  53  11.078 -19.847 -19.847
  366   2HG   PRO  53           HG1      PRO  53   9.956 -19.542 -19.542
  367   1HD   PRO  53           HD2      PRO  53   9.813 -18.273 -18.273
  368   2HD   PRO  53           HD1      PRO  53   8.417 -18.511 -18.511
  369    HA   PRO  54           HA       PRO  54  10.788 -24.329 -24.329
  370   1HB   PRO  54           HB2      PRO  54  10.914 -22.522 -22.522
  371   2HB   PRO  54           HB1      PRO  54  12.210 -23.427 -23.427
  372   1HG   PRO  54           HG2      PRO  54  11.530 -20.664 -20.664
  373   2HG   PRO  54           HG1      PRO  54  12.850 -21.564 -21.564
  374   1HD   PRO  54           HD2      PRO  54  10.687 -20.521 -20.521
  375   2HD   PRO  54           HD1      PRO  54  11.687 -21.856 -21.856
  376    H    GLU  55           HN       GLU  55   8.626 -22.073 -22.073
  377    HA   GLU  55           HA       GLU  55   7.280 -24.456 -24.456
  378   1HB   GLU  55           HB2      GLU  55   7.714 -21.649 -21.649
  379   2HB   GLU  55           HB1      GLU  55   6.303 -22.543 -22.543
  380   1HG   GLU  55           HG2      GLU  55   8.046 -24.457 -24.457
  381   2HG   GLU  55           HG1      GLU  55   9.215 -23.138 -23.138
  382    H    GLU  56           HN       GLU  56   5.370 -24.968 -24.968
  383    HA   GLU  56           HA       GLU  56   3.627 -22.745 -22.745
  384   1HB   GLU  56           HB2      GLU  56   4.811 -24.899 -24.899
  385   2HB   GLU  56           HB1      GLU  56   3.111 -24.523 -24.523
  386   1HG   GLU  56           HG2      GLU  56   4.028 -22.019 -22.019
  387   2HG   GLU  56           HG1      GLU  56   5.522 -22.812 -22.812
  388    H    GLU  57           HN       GLU  57   1.872 -23.037 -23.037
  389    HA   GLU  57           HA       GLU  57   0.618 -25.710 -25.710
  390   1HB   GLU  57           HB2      GLU  57   1.523 -24.139 -24.139
  391   2HB   GLU  57           HB1      GLU  57   0.118 -25.201 -25.201
  392   1HG   GLU  57           HG2      GLU  57   2.794 -26.117 -26.117
  393   2HG   GLU  57           HG1      GLU  57   2.330 -26.285 -26.285
  394    H    SER  58           HN       SER  58  -1.691 -25.624 -25.624
  395    HA   SER  58           HA       SER  58  -2.869 -22.928 -22.928
  396   1HB   SER  58           HB2      SER  58  -4.434 -23.574 -23.574
  397   2HB   SER  58           HB1      SER  58  -2.772 -23.246 -23.246
  398    HG   SER  58           HG       SER  58  -3.665 -25.207 -25.207
  399    H    GLU  59           HN       GLU  59  -5.094 -22.967 -22.967
  400    HA   GLU  59           HA       GLU  59  -5.658 -25.201 -25.201
  401   1HB   GLU  59           HB2      GLU  59  -6.281 -22.605 -22.605
  402   2HB   GLU  59           HB1      GLU  59  -7.747 -23.168 -23.168
  403   1HG   GLU  59           HG2      GLU  59  -8.096 -24.839 -24.839
  404   2HG   GLU  59           HG1      GLU  59  -6.606 -24.330 -24.330
  405    H    PHE  60           HN       PHE  60  -7.894 -26.283 -26.283
  406    HA   PHE  60           HA       PHE  60  -9.036 -26.474 -26.474
  407   1HB   PHE  60           HB2      PHE  60  -7.056 -28.189 -28.189
  408   2HB   PHE  60           HB1      PHE  60  -8.321 -29.060 -29.060
  409    HD1  PHE  60           HD2      PHE  60 -10.422 -29.730 -29.730
  410    HD2  PHE  60           HD1      PHE  60  -7.045 -28.064 -28.064
  411    HE1  PHE  60           HE2      PHE  60 -11.329 -30.563 -30.563
  412    HE2  PHE  60           HE1      PHE  60  -7.954 -28.897 -28.897
  413    HZ   PHE  60           HZ       PHE  60 -10.094 -30.146 -30.146

  Start of MODEL   14
    1   1H    GLU   1           HT3      GLU   1  11.557  -5.572  -5.572
    2   2H    GLU   1           HT2      GLU   1  13.110  -5.313  -5.313
    3   3H    GLU   1           HT1      GLU   1  12.893  -5.476  -5.476
    4    HA   GLU   1           HA       GLU   1  12.776  -7.681  -7.681
    5   1HB   GLU   1           HB2      GLU   1  14.862  -6.890  -6.890
    6   2HB   GLU   1           HB1      GLU   1  13.997  -7.308  -7.308
    7   1HG   GLU   1           HG2      GLU   1  15.159  -9.287  -9.287
    8   2HG   GLU   1           HG1      GLU   1  13.582  -9.598  -9.598
    9    H    ALA   2           HN       ALA   2  10.226  -6.899  -6.899
   10    HA   ALA   2           HA       ALA   2   9.573  -8.704  -8.704
   11   1HB   ALA   2           HB3      ALA   2   9.100  -6.101  -6.101
   12   2HB   ALA   2           HB2      ALA   2   7.711  -6.530  -6.530
   13   3HB   ALA   2           HB1      ALA   2   7.906  -7.253  -7.253
   14    H    GLN   3           HN       GLN   3   6.859  -8.983  -8.983
   15    HA   GLN   3           HA       GLN   3   6.741 -10.245 -10.245
   16   1HB   GLN   3           HB2      GLN   3   5.226 -10.938 -10.938
   17   2HB   GLN   3           HB1      GLN   3   5.085 -11.778 -11.778
   18   1HG   GLN   3           HG2      GLN   3   7.117 -12.823 -12.823
   19   2HG   GLN   3           HG1      GLN   3   7.833 -11.468 -11.468
   20   1HE2  GLN   3          HE22      GLN   3   7.540 -13.648 -13.648
   21   2HE2  GLN   3          HE21      GLN   3   8.618 -13.020 -13.020
   22    H    THR   4           HN       THR   4   5.784  -8.603  -8.603
   23    HA   THR   4           HA       THR   4   2.979  -8.060  -8.060
   24    HB   THR   4           HB       THR   4   3.398  -5.553  -5.553
   25    HG1  THR   4           HG1      THR   4   6.010  -6.456  -6.456
   26   1HG2  THR   4          HG22      THR   4   2.867  -6.752  -6.752
   27   2HG2  THR   4          HG21      THR   4   4.600  -6.762  -6.762
   28   3HG2  THR   4          HG23      THR   4   3.738  -5.230  -5.230
   29    H    GLU   5           HN       GLU   5   1.899  -7.033  -7.033
   30    HA   GLU   5           HA       GLU   5   2.884  -8.060  -8.060
   31   1HB   GLU   5           HB2      GLU   5   0.712  -6.022  -6.022
   32   2HB   GLU   5           HB1      GLU   5   0.982  -6.796  -6.796
   33   1HG   GLU   5           HG2      GLU   5   0.265  -8.876  -8.876
   34   2HG   GLU   5           HG1      GLU   5   0.665  -8.522  -8.522
   35    H    THR   6           HN       THR   6   3.815  -6.933  -6.933
   36    HA   THR   6           HA       THR   6   4.646  -4.142  -4.142
   37    HB   THR   6           HB       THR   6   6.466  -6.079  -6.079
   38    HG1  THR   6           HG1      THR   6   5.933  -6.949  -6.949
   39   1HG2  THR   6          HG23      THR   6   6.607  -3.411  -3.411
   40   2HG2  THR   6          HG22      THR   6   7.384  -3.911  -3.911
   41   3HG2  THR   6          HG21      THR   6   8.041  -4.436  -4.436
   42    H    CYS   7           HN       CYS   7   4.037  -2.810  -2.810
   43    HA   CYS   7           HA       CYS   7   3.485  -4.062  -4.062
   44   1HB   CYS   7           HB2      CYS   7   2.405  -1.501  -1.501
   45   2HB   CYS   7           HB1      CYS   7   2.010  -2.120  -2.120
   46    H    THR   8           HN       THR   8   6.026  -2.695  -2.695
   47    HA   THR   8           HA       THR   8   6.486  -0.571  -0.571
   48    HB   THR   8           HB       THR   8   7.149  -0.080  -0.080
   49    HG1  THR   8           HG1      THR   8   8.551   0.807   0.807
   50   1HG2  THR   8          HG21      THR   8   7.838  -2.816  -2.816
   51   2HG2  THR   8          HG23      THR   8   9.352  -1.934  -1.934
   52   3HG2  THR   8          HG22      THR   8   8.010  -1.641  -1.641
   53    H    VAL   9           HN       VAL   9   7.022  -1.453  -1.453
   54    HA   VAL   9           HA       VAL   9   9.218  -3.454  -3.454
   55    HB   VAL   9           HB       VAL   9   6.977  -3.211  -3.211
   56   1HG1  VAL   9          HG12      VAL   9   9.417  -4.928  -4.928
   57   2HG1  VAL   9          HG11      VAL   9   7.972  -5.635  -5.635
   58   3HG1  VAL   9          HG13      VAL   9   8.723  -4.218  -4.218
   59   1HG2  VAL   9          HG23      VAL   9   7.404  -5.134  -5.134
   60   2HG2  VAL   9          HG22      VAL   9   6.048  -4.029  -4.029
   61   3HG2  VAL   9          HG21      VAL   9   6.248  -5.411  -5.411
   62    H    ALA  10           HN       ALA  10  10.543  -3.363  -3.363
   63    HA   ALA  10           HA       ALA  10  11.357  -0.674  -0.674
   64   1HB   ALA  10           HB1      ALA  10  12.014  -3.279  -3.279
   65   2HB   ALA  10           HB3      ALA  10  12.807  -1.745  -1.745
   66   3HB   ALA  10           HB2      ALA  10  12.973  -2.473  -2.473
   67    HA   PRO  11           HA       PRO  11   8.085   0.620   0.620
   68   1HB   PRO  11           HB2      PRO  11  10.221   2.076   2.076
   69   2HB   PRO  11           HB1      PRO  11   8.766   2.698   2.698
   70   1HG   PRO  11           HG2      PRO  11  11.432   2.699   2.699
   71   2HG   PRO  11           HG1      PRO  11   9.967   3.275   3.275
   72   1HD   PRO  11           HD2      PRO  11  11.492   1.061   1.061
   73   2HD   PRO  11           HD1      PRO  11   9.845   1.423   1.423
   74    H    ARG  12           HN       ARG  12  11.204  -0.739  -0.739
   75    HA   ARG  12           HA       ARG  12  10.290  -1.175  -1.175
   76   1HB   ARG  12           HB2      ARG  12  12.778  -2.003  -2.003
   77   2HB   ARG  12           HB1      ARG  12  12.483  -2.423  -2.423
   78   1HG   ARG  12           HG2      ARG  12  12.692  -0.231  -0.231
   79   2HG   ARG  12           HG1      ARG  12  12.196   0.441   0.441
   80   1HD   ARG  12           HD2      ARG  12  14.324  -0.106  -0.106
   81   2HD   ARG  12           HD1      ARG  12  14.813  -1.022  -1.022
   82    HE   ARG  12           HE       ARG  12  14.362   1.435   1.435
   83   1HH1  ARG  12          HH11      ARG  12  16.119   0.341   0.341
   84   2HH1  ARG  12          HH12      ARG  12  17.266   1.638   1.638
   85   1HH2  ARG  12          HH21      ARG  12  15.874   3.128   3.128
   86   2HH2  ARG  12          HH22      ARG  12  17.127   3.208   3.208
   87    H    GLU  13           HN       GLU  13  10.860  -3.159  -3.159
   88    HA   GLU  13           HA       GLU  13   9.872  -5.534  -5.534
   89   1HB   GLU  13           HB2      GLU  13  11.072  -5.059  -5.059
   90   2HB   GLU  13           HB1      GLU  13  10.348  -6.605  -6.605
   91   1HG   GLU  13           HG2      GLU  13  12.503  -5.257  -5.257
   92   2HG   GLU  13           HG1      GLU  13  12.855  -6.440  -6.440
   93    H    ARG  14           HN       ARG  14   7.902  -3.532  -3.532
   94    HA   ARG  14           HA       ARG  14   6.192  -4.481  -4.481
   95   1HB   ARG  14           HB2      ARG  14   6.153  -1.964  -1.964
   96   2HB   ARG  14           HB1      ARG  14   4.807  -2.433  -2.433
   97   1HG   ARG  14           HG2      ARG  14   6.773  -2.711  -2.711
   98   2HG   ARG  14           HG1      ARG  14   7.548  -1.517  -1.517
   99   1HD   ARG  14           HD2      ARG  14   5.252  -0.269  -0.269
  100   2HD   ARG  14           HD1      ARG  14   5.012  -1.267  -1.267
  101    HE   ARG  14           HE       ARG  14   7.438  -0.265  -0.265
  102   1HH1  ARG  14          HH11      ARG  14   4.575   1.255   1.255
  103   2HH1  ARG  14          HH12      ARG  14   4.948   2.813   2.813
  104   1HH2  ARG  14          HH21      ARG  14   7.910   1.789   1.789
  105   2HH2  ARG  14          HH22      ARG  14   6.828   3.114   3.114
  106    H    GLN  15           HN       GLN  15   4.174  -5.406  -5.406
  107    HA   GLN  15           HA       GLN  15   3.641  -5.946  -5.946
  108   1HB   GLN  15           HB2      GLN  15   3.309  -7.545  -7.545
  109   2HB   GLN  15           HB1      GLN  15   2.158  -7.805  -7.805
  110   1HG   GLN  15           HG2      GLN  15   3.814  -8.550  -8.550
  111   2HG   GLN  15           HG1      GLN  15   5.107  -7.750  -7.750
  112   1HE2  GLN  15          HE22      GLN  15   5.790 -10.600 -10.600
  113   2HE2  GLN  15          HE21      GLN  15   6.309  -9.095  -9.095
  114    H    ASN  16           HN       ASN  16   1.813  -5.007  -5.007
  115    HA   ASN  16           HA       ASN  16   0.180  -3.317  -3.317
  116   1HB   ASN  16           HB2      ASN  16   0.675  -3.466  -3.466
  117   2HB   ASN  16           HB1      ASN  16  -0.887  -4.281  -4.281
  118   1HD2  ASN  16          HD22      ASN  16  -1.453  -0.573  -0.573
  119   2HD2  ASN  16          HD21      ASN  16  -0.605  -1.712  -1.712
  120    H    CYS  17           HN       CYS  17  -1.361  -3.975  -3.975
  121    HA   CYS  17           HA       CYS  17  -2.466  -6.632  -6.632
  122   1HB   CYS  17           HB2      CYS  17  -2.139  -4.889  -4.889
  123   2HB   CYS  17           HB1      CYS  17  -3.745  -4.362  -4.362
  124    H    GLY  18           HN       GLY  18  -3.418  -3.442  -3.442
  125   1HA   GLY  18           HA2      GLY  18  -5.558  -4.680  -4.680
  126   2HA   GLY  18           HA1      GLY  18  -6.060  -3.453  -3.453
  127    H    PHE  19           HN       PHE  19  -6.678  -2.696  -2.696
  128    HA   PHE  19           HA       PHE  19  -4.624  -1.509  -1.509
  129   1HB   PHE  19           HB2      PHE  19  -6.568  -0.063  -0.063
  130   2HB   PHE  19           HB1      PHE  19  -6.703  -1.802  -1.802
  131    HD1  PHE  19           HD2      PHE  19  -8.132  -3.136  -3.136
  132    HD2  PHE  19           HD1      PHE  19  -8.154   1.158   1.158
  133    HE1  PHE  19           HE2      PHE  19 -10.296  -3.122  -3.122
  134    HE2  PHE  19           HE1      PHE  19 -10.325   1.172   1.172
  135    HZ   PHE  19           HZ       PHE  19 -11.393  -0.968  -0.968
  136    HA   PRO  20           HA       PRO  20  -3.746   2.230   2.230
  137   1HB   PRO  20           HB2      PRO  20  -3.519   4.053   4.053
  138   2HB   PRO  20           HB1      PRO  20  -2.257   2.945   2.945
  139   1HG   PRO  20           HG2      PRO  20  -3.704   2.897   2.897
  140   2HG   PRO  20           HG1      PRO  20  -2.411   1.817   1.817
  141   1HD   PRO  20           HD2      PRO  20  -5.294   1.346   1.346
  142   2HD   PRO  20           HD1      PRO  20  -3.974   0.182   0.182
  143    H    GLY  21           HN       GLY  21  -6.404   2.543   2.543
  144   1HA   GLY  21           HA2      GLY  21  -7.386   5.051   5.051
  145   2HA   GLY  21           HA1      GLY  21  -8.340   3.815   3.815
  146    H    VAL  22           HN       VAL  22  -7.080   2.202   2.202
  147    HA   VAL  22           HA       VAL  22  -9.553   2.073   2.073
  148    HB   VAL  22           HB       VAL  22  -8.222   0.961   0.961
  149   1HG1  VAL  22          HG12      VAL  22  -9.077  -0.262  -0.262
  150   2HG1  VAL  22          HG11      VAL  22  -7.527   0.017   0.017
  151   3HG1  VAL  22          HG13      VAL  22  -7.607  -0.972  -0.972
  152   1HG2  VAL  22          HG21      VAL  22  -6.006   2.121   2.121
  153   2HG2  VAL  22          HG23      VAL  22  -6.103   1.849   1.849
  154   3HG2  VAL  22          HG22      VAL  22  -5.751   0.504   0.504
  155    H    THR  23           HN       THR  23  -9.689   2.614   2.614
  156    HA   THR  23           HA       THR  23  -8.388   5.226   5.226
  157    HB   THR  23           HB       THR  23 -10.563   5.893   5.893
  158    HG1  THR  23           HG1      THR  23 -11.290   3.455   3.455
  159   1HG2  THR  23          HG22      THR  23 -10.250   5.417   5.417
  160   2HG2  THR  23          HG21      THR  23 -11.776   6.057   6.057
  161   3HG2  THR  23          HG23      THR  23 -10.277   6.941   6.941
  162    HA   PRO  24           HA       PRO  24  -6.961   4.003   4.003
  163   1HB   PRO  24           HB2      PRO  24  -8.885   5.753   5.753
  164   2HB   PRO  24           HB1      PRO  24  -7.119   5.839   5.839
  165   1HG   PRO  24           HG2      PRO  24  -9.017   7.367   7.367
  166   2HG   PRO  24           HG1      PRO  24  -7.256   7.521   7.521
  167   1HD   PRO  24           HD2      PRO  24  -8.684   6.652   6.652
  168   2HD   PRO  24           HD1      PRO  24  -6.972   6.282   6.282
  169    H    SER  25           HN       SER  25 -10.520   4.324   4.324
  170    HA   SER  25           HA       SER  25 -11.133   2.566   2.566
  171   1HB   SER  25           HB2      SER  25 -13.412   2.580   2.580
  172   2HB   SER  25           HB1      SER  25 -12.753   4.209   4.209
  173    HG   SER  25           HG       SER  25 -13.626   2.920   2.920
  174    H    GLN  26           HN       GLN  26 -10.993   2.098   2.098
  175    HA   GLN  26           HA       GLN  26 -11.771  -0.623  -0.623
  176   1HB   GLN  26           HB2      GLN  26 -10.263   1.136   1.136
  177   2HB   GLN  26           HB1      GLN  26 -10.316  -0.604  -0.604
  178   1HG   GLN  26           HG2      GLN  26 -12.918  -0.212  -0.212
  179   2HG   GLN  26           HG1      GLN  26 -12.523   1.402   1.402
  180   1HE2  GLN  26          HE21      GLN  26 -11.841   1.614   1.614
  181   2HE2  GLN  26          HE22      GLN  26 -12.037   0.345   0.345
  182    H    CYS  27           HN       CYS  27  -8.486   0.858   0.858
  183    HA   CYS  27           HA       CYS  27  -7.065  -1.590  -1.590
  184   1HB   CYS  27           HB2      CYS  27  -6.210   0.815   0.815
  185   2HB   CYS  27           HB1      CYS  27  -6.105   0.948   0.948
  186    H    ALA  28           HN       ALA  28  -8.767   0.225   0.225
  187    HA   ALA  28           HA       ALA  28  -7.493  -1.363  -1.363
  188   1HB   ALA  28           HB1      ALA  28  -9.335   1.022   1.022
  189   2HB   ALA  28           HB3      ALA  28  -9.049   0.108   0.108
  190   3HB   ALA  28           HB2      ALA  28  -7.705   0.905   0.905
  191    H    ASN  29           HN       ASN  29 -10.122  -1.678  -1.678
  192    HA   ASN  29           HA       ASN  29 -11.806  -3.044  -3.044
  193   1HB   ASN  29           HB2      ASN  29 -12.659  -1.388  -1.388
  194   2HB   ASN  29           HB1      ASN  29 -12.491  -2.773  -2.773
  195   1HD2  ASN  29          HD22      ASN  29 -15.917  -3.163  -3.163
  196   2HD2  ASN  29          HD21      ASN  29 -15.019  -2.296  -2.296
  197    H    LYS  30           HN       LYS  30  -9.585  -3.692  -3.692
  198    HA   LYS  30           HA       LYS  30 -10.492  -6.476  -6.476
  199   1HB   LYS  30           HB2      LYS  30  -8.636  -4.689  -4.689
  200   2HB   LYS  30           HB1      LYS  30  -8.317  -6.423  -6.423
  201   1HG   LYS  30           HG2      LYS  30 -11.101  -5.393  -5.393
  202   2HG   LYS  30           HG1      LYS  30  -9.915  -5.395  -5.395
  203   1HD   LYS  30           HD2      LYS  30  -9.497  -7.860  -7.860
  204   2HD   LYS  30           HD1      LYS  30 -10.987  -7.756  -7.756
  205   1HE   LYS  30           HE2      LYS  30 -11.149  -6.690  -6.690
  206   2HE   LYS  30           HE1      LYS  30 -10.919  -8.434  -8.434
  207   1HZ   LYS  30           HZ1      LYS  30 -12.781  -8.492  -8.492
  208   2HZ   LYS  30           HZ3      LYS  30 -13.027  -6.832  -6.832
  209   3HZ   LYS  30           HZ2      LYS  30 -13.224  -7.915  -7.915
  210    H    GLY  31           HN       GLY  31  -8.238  -4.615  -4.615
  211   1HA   GLY  31           HA2      GLY  31  -7.051  -5.552  -5.552
  212   2HA   GLY  31           HA1      GLY  31  -7.073  -7.116  -7.116
  213    H    CYS  32           HN       CYS  32  -6.276  -4.479  -4.479
  214    HA   CYS  32           HA       CYS  32  -3.490  -5.432  -5.432
  215   1HB   CYS  32           HB2      CYS  32  -4.904  -3.463  -3.463
  216   2HB   CYS  32           HB1      CYS  32  -3.348  -4.233  -4.233
  217    H    CYS  33           HN       CYS  33  -1.702  -3.966  -3.966
  218    HA   CYS  33           HA       CYS  33  -2.281  -1.788  -1.788
  219   1HB   CYS  33           HB2      CYS  33   0.360  -2.602  -2.602
  220   2HB   CYS  33           HB1      CYS  33   0.137  -1.562  -1.562
  221    H    PHE  34           HN       PHE  34  -2.579   0.324   0.324
  222    HA   PHE  34           HA       PHE  34  -1.992   1.065   1.065
  223   1HB   PHE  34           HB2      PHE  34  -4.280   1.481   1.481
  224   2HB   PHE  34           HB1      PHE  34  -3.522   2.636   2.636
  225    HD1  PHE  34           HD1      PHE  34  -2.572   4.735   4.735
  226    HD2  PHE  34           HD2      PHE  34  -4.445   1.938   1.938
  227    HE1  PHE  34           HE1      PHE  34  -2.658   6.475   6.475
  228    HE2  PHE  34           HE2      PHE  34  -4.533   3.677   3.677
  229    HZ   PHE  34           HZ       PHE  34  -3.639   5.945   5.945
  230    H    ASP  35           HN       ASP  35  -0.230   2.369   2.369
  231    HA   ASP  35           HA       ASP  35   0.796   4.083   4.083
  232   1HB   ASP  35           HB2      ASP  35   2.014   1.799   1.799
  233   2HB   ASP  35           HB1      ASP  35   2.684   2.441   2.441
  234    H    ASP  36           HN       ASP  36   0.852   6.115   6.115
  235    HA   ASP  36           HA       ASP  36   1.474   6.390   6.390
  236   1HB   ASP  36           HB2      ASP  36   0.325   8.611   8.611
  237   2HB   ASP  36           HB1      ASP  36  -0.742   7.242   7.242
  238    H    THR  37           HN       THR  37   3.802   6.160   6.160
  239    HA   THR  37           HA       THR  37   4.761   8.658   8.658
  240    HB   THR  37           HB       THR  37   6.951   7.179   7.179
  241    HG1  THR  37           HG1      THR  37   6.595   5.262   5.262
  242   1HG2  THR  37          HG21      THR  37   5.504   7.963   7.963
  243   2HG2  THR  37          HG23      THR  37   4.646   6.428   6.428
  244   3HG2  THR  37          HG22      THR  37   6.365   6.448   6.448
  245    H    VAL  38           HN       VAL  38   5.924   6.350   6.350
  246    HA   VAL  38           HA       VAL  38   7.096   8.674   8.674
  247    HB   VAL  38           HB       VAL  38   7.594   5.714   5.714
  248   1HG1  VAL  38          HG13      VAL  38   9.049   8.208   8.208
  249   2HG1  VAL  38          HG12      VAL  38   9.596   6.553   6.553
  250   3HG1  VAL  38          HG11      VAL  38   8.099   7.119   7.119
  251   1HG2  VAL  38          HG23      VAL  38   9.108   7.788   7.788
  252   2HG2  VAL  38          HG22      VAL  38   8.355   6.314   6.314
  253   3HG2  VAL  38          HG21      VAL  38   9.768   6.214   6.214
  254    H    ARG  39           HN       ARG  39   6.766   8.852   8.852
  255    HA   ARG  39           HA       ARG  39   4.103   7.893   7.893
  256   1HB   ARG  39           HB2      ARG  39   6.021   9.808   9.808
  257   2HB   ARG  39           HB1      ARG  39   4.377   9.458   9.458
  258   1HG   ARG  39           HG2      ARG  39   4.091  11.412  11.412
  259   2HG   ARG  39           HG1      ARG  39   3.701  10.146  10.146
  260   1HD   ARG  39           HD2      ARG  39   5.442  10.706  10.706
  261   2HD   ARG  39           HD1      ARG  39   6.563  10.711  10.711
  262    HE   ARG  39           HE       ARG  39   5.070  13.020  13.020
  263   1HH1  ARG  39          HH21      ARG  39   7.122  11.621  11.621
  264   2HH1  ARG  39          HH22      ARG  39   7.659  13.150  13.150
  265   1HH2  ARG  39          HH11      ARG  39   5.787  15.014  15.014
  266   2HH2  ARG  39          HH12      ARG  39   6.906  15.061  15.061
  267    H    GLY  40           HN       GLY  40   3.948   7.219   7.219
  268   1HA   GLY  40           HA2      GLY  40   4.711   5.922   5.922
  269   2HA   GLY  40           HA1      GLY  40   6.310   5.882   5.882
  270    H    VAL  41           HN       VAL  41   5.845   4.808   4.808
  271    HA   VAL  41           HA       VAL  41   5.398   2.034   2.034
  272    HB   VAL  41           HB       VAL  41   5.759   1.714   1.714
  273   1HG1  VAL  41          HG11      VAL  41   7.606   2.109   2.109
  274   2HG1  VAL  41          HG13      VAL  41   7.816   3.666   3.666
  275   3HG1  VAL  41          HG12      VAL  41   8.056   2.173   2.173
  276   1HG2  VAL  41          HG21      VAL  41   4.662   3.985   3.985
  277   2HG2  VAL  41          HG23      VAL  41   6.106   3.567   3.567
  278   3HG2  VAL  41          HG22      VAL  41   6.218   4.701   4.701
  279    HA   PRO  42           HA       PRO  42   1.125   1.753   1.753
  280   1HB   PRO  42           HB2      PRO  42   1.133  -0.855  -0.855
  281   2HB   PRO  42           HB1      PRO  42   1.071  -0.400  -0.400
  282   1HG   PRO  42           HG2      PRO  42   3.184  -1.722  -1.722
  283   2HG   PRO  42           HG1      PRO  42   3.124  -1.253  -1.253
  284   1HD   PRO  42           HD2      PRO  42   4.463   0.097   0.097
  285   2HD   PRO  42           HD1      PRO  42   4.783   0.227   0.227
  286    H    TRP  43           HN       TRP  43   0.068   2.537   2.537
  287    HA   TRP  43           HA       TRP  43   1.398   2.501   2.501
  288   1HB   TRP  43           HB2      TRP  43  -1.427   3.381   3.381
  289   2HB   TRP  43           HB1      TRP  43  -0.500   3.816   3.816
  290    HD1  TRP  43           HD1      TRP  43   2.276   4.432   4.432
  291    HE1  TRP  43           HE1      TRP  43   2.489   6.591   6.591
  292    HE3  TRP  43           HE3      TRP  43  -2.663   5.439   5.439
  293    HZ2  TRP  43           HZ2      TRP  43   0.797   8.491   8.491
  294    HZ3  TRP  43           HZ3      TRP  43  -3.331   7.430   7.430
  295    HH2  TRP  43           HH2      TRP  43  -1.609   8.956   8.956
  296    H    CYS  44           HN       CYS  44  -1.684   1.110   1.110
  297    HA   CYS  44           HA       CYS  44  -2.111  -0.429  -0.429
  298   1HB   CYS  44           HB2      CYS  44  -3.848   0.395   0.395
  299   2HB   CYS  44           HB1      CYS  44  -3.373  -1.057  -1.057
  300    H    PHE  45           HN       PHE  45  -0.716  -2.108  -2.108
  301    HA   PHE  45           HA       PHE  45  -0.152  -4.029  -4.029
  302   1HB   PHE  45           HB2      PHE  45   2.239  -4.189  -4.189
  303   2HB   PHE  45           HB1      PHE  45   1.866  -2.806  -2.806
  304    HD1  PHE  45           HD2      PHE  45   1.676  -3.773  -3.773
  305    HD2  PHE  45           HD1      PHE  45   2.533  -0.709  -0.709
  306    HE1  PHE  45           HE2      PHE  45   2.347  -2.247  -2.247
  307    HE2  PHE  45           HE1      PHE  45   3.206   0.820   0.820
  308    HZ   PHE  45           HZ       PHE  45   3.111   0.051   0.051
  309    H    TYR  46           HN       TYR  46   1.058  -6.043  -6.043
  310    HA   TYR  46           HA       TYR  46  -0.721  -7.015  -7.015
  311   1HB   TYR  46           HB2      TYR  46   1.846  -8.240  -8.240
  312   2HB   TYR  46           HB1      TYR  46   0.586  -9.076  -9.076
  313    HD1  TYR  46           HD2      TYR  46  -1.903  -8.509  -8.509
  314    HD2  TYR  46           HD1      TYR  46   1.830  -8.669  -8.669
  315    HE1  TYR  46           HE2      TYR  46  -3.119  -8.965  -8.965
  316    HE2  TYR  46           HE1      TYR  46   0.615  -9.124  -9.124
  317    HH   TYR  46           HH       TYR  46  -1.505  -8.947  -8.947
  318    HA   PRO  47           HA       PRO  47   1.837  -6.155  -6.155
  319   1HB   PRO  47           HB2      PRO  47   0.745  -8.045  -8.045
  320   2HB   PRO  47           HB1      PRO  47  -0.011  -6.496  -6.496
  321   1HG   PRO  47           HG2      PRO  47  -0.892  -9.130  -9.130
  322   2HG   PRO  47           HG1      PRO  47  -1.666  -7.579  -7.579
  323   1HD   PRO  47           HD2      PRO  47   0.012  -9.275  -9.275
  324   2HD   PRO  47           HD1      PRO  47  -1.144  -8.000  -8.000
  325    H    ASN  48           HN       ASN  48   3.188  -7.397  -7.397
  326    HA   ASN  48           HA       ASN  48   4.348  -9.865  -9.865
  327   1HB   ASN  48           HB2      ASN  48   5.732  -7.327  -7.327
  328   2HB   ASN  48           HB1      ASN  48   6.571  -8.871  -8.871
  329   1HD2  ASN  48          HD22      ASN  48   7.392  -8.875  -8.875
  330   2HD2  ASN  48          HD21      ASN  48   7.807  -9.304  -9.304
  331    H    THR  49           HN       THR  49   3.275 -11.153 -11.153
  332    HA   THR  49           HA       THR  49   3.635 -10.473 -10.473
  333    HB   THR  49           HB       THR  49   2.418 -12.715 -12.715
  334    HG1  THR  49           HG1      THR  49   1.417 -12.611 -12.611
  335   1HG2  THR  49          HG23      THR  49   1.308 -10.287 -10.287
  336   2HG2  THR  49          HG22      THR  49   0.261 -11.668 -11.668
  337   3HG2  THR  49          HG21      THR  49   1.060 -10.837 -10.837
  338    H    ILE  50           HN       ILE  50   5.880 -10.693 -10.693
  339    HA   ILE  50           HA       ILE  50   6.958 -13.432 -13.432
  340    HB   ILE  50           HB       ILE  50   8.509 -10.831 -10.831
  341   1HG1  ILE  50          HG12      ILE  50   8.168 -12.531 -12.531
  342   2HG1  ILE  50          HG11      ILE  50   6.998 -11.270 -11.270
  343   1HG2  ILE  50          HG22      ILE  50   9.316 -13.672 -13.672
  344   2HG2  ILE  50          HG21      ILE  50  10.371 -12.265 -12.265
  345   3HG2  ILE  50          HG23      ILE  50   9.785 -12.775 -12.775
  346   1HD1  ILE  50          HD11      ILE  50   8.987  -9.680  -9.680
  347   2HD1  ILE  50          HD13      ILE  50   9.958 -10.951 -10.951
  348   3HD1  ILE  50          HD12      ILE  50   8.615 -10.233 -10.233
  349    H    ASP  51           HN       ASP  51   8.083 -14.379 -14.379
  350    HA   ASP  51           HA       ASP  51   7.669 -12.966 -12.966
  351   1HB   ASP  51           HB2      ASP  51   7.715 -15.886 -15.886
  352   2HB   ASP  51           HB1      ASP  51   7.965 -15.372 -15.372
  353    H    VAL  52           HN       VAL  52   9.403 -13.132 -13.132
  354    HA   VAL  52           HA       VAL  52  12.008 -14.023 -14.023
  355    HB   VAL  52           HB       VAL  52  13.048 -11.924 -11.924
  356   1HG1  VAL  52          HG12      VAL  52  12.162 -12.345 -12.345
  357   2HG1  VAL  52          HG11      VAL  52  10.945 -11.145 -11.145
  358   3HG1  VAL  52          HG13      VAL  52  12.655 -10.718 -10.718
  359   1HG2  VAL  52          HG23      VAL  52  10.159 -11.343 -11.343
  360   2HG2  VAL  52          HG22      VAL  52  11.583 -10.977 -10.977
  361   3HG2  VAL  52          HG21      VAL  52  11.217 -10.007 -10.007
  362    HA   PRO  53           HA       PRO  53  11.640 -15.412 -15.412
  363   1HB   PRO  53           HB2      PRO  53  12.336 -18.028 -18.028
  364   2HB   PRO  53           HB1      PRO  53  10.678 -17.406 -17.406
  365   1HG   PRO  53           HG2      PRO  53  12.174 -18.335 -18.335
  366   2HG   PRO  53           HG1      PRO  53  10.521 -17.700 -17.700
  367   1HD   PRO  53           HD2      PRO  53  13.038 -16.327 -16.327
  368   2HD   PRO  53           HD1      PRO  53  11.365 -15.941 -15.941
  369    HA   PRO  54           HA       PRO  54  16.048 -15.751 -15.751
  370   1HB   PRO  54           HB2      PRO  54  15.945 -17.132 -17.132
  371   2HB   PRO  54           HB1      PRO  54  15.590 -15.408 -15.408
  372   1HG   PRO  54           HG2      PRO  54  13.790 -17.509 -17.509
  373   2HG   PRO  54           HG1      PRO  54  13.436 -15.786 -15.786
  374   1HD   PRO  54           HD2      PRO  54  12.995 -18.021 -18.021
  375   2HD   PRO  54           HD1      PRO  54  12.194 -16.437 -16.437
  376    H    GLU  55           HN       GLU  55  14.289 -18.557 -18.557
  377    HA   GLU  55           HA       GLU  55  16.728 -20.239 -20.239
  378   1HB   GLU  55           HB2      GLU  55  13.794 -20.857 -20.857
  379   2HB   GLU  55           HB1      GLU  55  14.910 -22.102 -22.102
  380   1HG   GLU  55           HG2      GLU  55  16.319 -21.551 -21.551
  381   2HG   GLU  55           HG1      GLU  55  14.911 -20.661 -20.661
  382    H    GLU  56           HN       GLU  56  17.732 -20.376 -20.376
  383    HA   GLU  56           HA       GLU  56  16.195 -19.918 -19.918
  384   1HB   GLU  56           HB2      GLU  56  18.652 -19.141 -19.141
  385   2HB   GLU  56           HB1      GLU  56  19.074 -20.751 -20.751
  386   1HG   GLU  56           HG2      GLU  56  19.176 -19.501 -19.501
  387   2HG   GLU  56           HG1      GLU  56  17.524 -20.117 -20.117
  388    H    GLU  57           HN       GLU  57  15.029 -21.657 -21.657
  389    HA   GLU  57           HA       GLU  57  16.473 -24.214 -24.214
  390   1HB   GLU  57           HB2      GLU  57  14.771 -23.947 -23.947
  391   2HB   GLU  57           HB1      GLU  57  13.613 -24.376 -24.376
  392   1HG   GLU  57           HG2      GLU  57  15.104 -26.330 -26.330
  393   2HG   GLU  57           HG1      GLU  57  16.057 -25.952 -25.952
  394    H    SER  58           HN       SER  58  14.993 -25.752 -25.752
  395    HA   SER  58           HA       SER  58  14.331 -24.247 -24.247
  396   1HB   SER  58           HB2      SER  58  13.747 -27.171 -27.171
  397   2HB   SER  58           HB1      SER  58  14.223 -26.325 -26.325
  398    HG   SER  58           HG       SER  58  15.904 -27.592 -27.592
  399    H    GLU  59           HN       GLU  59  12.359 -23.283 -23.283
  400    HA   GLU  59           HA       GLU  59   9.964 -24.790 -24.790
  401   1HB   GLU  59           HB2      GLU  59   9.022 -22.747 -22.747
  402   2HB   GLU  59           HB1      GLU  59  10.411 -23.415 -23.415
  403   1HG   GLU  59           HG2      GLU  59  11.885 -21.767 -21.767
  404   2HG   GLU  59           HG1      GLU  59  10.484 -21.085 -21.085
  405    H    PHE  60           HN       PHE  60   7.981 -23.873 -23.873
  406    HA   PHE  60           HA       PHE  60   8.527 -22.986 -22.986
  407   1HB   PHE  60           HB2      PHE  60   6.068 -23.603 -23.603
  408   2HB   PHE  60           HB1      PHE  60   5.905 -22.729 -22.729
  409    HD1  PHE  60           HD2      PHE  60   6.644 -23.759 -23.759
  410    HD2  PHE  60           HD1      PHE  60   6.726 -25.926 -25.926
  411    HE1  PHE  60           HE2      PHE  60   6.884 -25.887 -25.887
  412    HE2  PHE  60           HE1      PHE  60   6.965 -28.055 -28.055
  413    HZ   PHE  60           HZ       PHE  60   7.043 -28.036 -28.036

  Start of MODEL   15
    1   1H    GLU   1           HT3      GLU   1  12.470  -9.564  -9.564
    2   2H    GLU   1           HT2      GLU   1  12.546  -9.356  -9.356
    3   3H    GLU   1           HT1      GLU   1  11.587  -8.320  -8.320
    4    HA   GLU   1           HA       GLU   1  13.362  -6.996  -6.996
    5   1HB   GLU   1           HB2      GLU   1  14.546  -8.761  -8.761
    6   2HB   GLU   1           HB1      GLU   1  15.152  -9.435  -9.435
    7   1HG   GLU   1           HG2      GLU   1  16.064  -7.100  -7.100
    8   2HG   GLU   1           HG1      GLU   1  15.720  -6.708  -6.708
    9    H    ALA   2           HN       ALA   2  13.385  -9.712  -9.712
   10    HA   ALA   2           HA       ALA   2  13.782  -7.830  -7.830
   11   1HB   ALA   2           HB2      ALA   2  15.818  -9.938  -9.938
   12   2HB   ALA   2           HB1      ALA   2  15.680  -9.302  -9.302
   13   3HB   ALA   2           HB3      ALA   2  16.087  -8.221  -8.221
   14    H    GLN   3           HN       GLN   3  11.863 -10.000 -10.000
   15    HA   GLN   3           HA       GLN   3  11.362 -11.239 -11.239
   16   1HB   GLN   3           HB2      GLN   3  11.963 -12.712 -12.712
   17   2HB   GLN   3           HB1      GLN   3  10.878 -13.421 -13.421
   18   1HG   GLN   3           HG2      GLN   3  13.640 -12.392 -12.392
   19   2HG   GLN   3           HG1      GLN   3  13.321 -14.070 -14.070
   20   1HE2  GLN   3          HE22      GLN   3  12.764 -13.053 -13.053
   21   2HE2  GLN   3          HE21      GLN   3  13.774 -12.242 -12.242
   22    H    THR   4           HN       THR   4   9.434 -10.019 -10.019
   23    HA   THR   4           HA       THR   4   7.189 -11.021 -11.021
   24    HB   THR   4           HB       THR   4   6.605  -8.494  -8.494
   25    HG1  THR   4           HG1      THR   4   9.022  -8.282  -8.282
   26   1HG2  THR   4          HG23      THR   4   7.168 -10.581 -10.581
   27   2HG2  THR   4          HG22      THR   4   8.681  -9.715  -9.715
   28   3HG2  THR   4          HG21      THR   4   7.145  -8.962  -8.962
   29    H    GLU   5           HN       GLU   5   5.324  -9.020  -9.020
   30    HA   GLU   5           HA       GLU   5   5.343  -9.169  -9.169
   31   1HB   GLU   5           HB2      GLU   5   3.040  -8.570  -8.570
   32   2HB   GLU   5           HB1      GLU   5   2.931  -8.867  -8.867
   33   1HG   GLU   5           HG2      GLU   5   3.731 -11.149 -11.149
   34   2HG   GLU   5           HG1      GLU   5   3.985 -10.870 -10.870
   35    H    THR   6           HN       THR   6   5.485  -7.291  -7.291
   36    HA   THR   6           HA       THR   6   4.773  -4.738  -4.738
   37    HB   THR   6           HB       THR   6   7.472  -4.939  -4.939
   38    HG1  THR   6           HG1      THR   6   8.285  -5.875  -5.875
   39   1HG2  THR   6          HG23      THR   6   6.159  -3.131  -3.131
   40   2HG2  THR   6          HG22      THR   6   7.870  -3.038  -3.038
   41   3HG2  THR   6          HG21      THR   6   6.643  -2.717  -2.717
   42    H    CYS   7           HN       CYS   7   4.237  -3.139  -3.139
   43    HA   CYS   7           HA       CYS   7   3.773  -4.209  -4.209
   44   1HB   CYS   7           HB2      CYS   7   3.080  -1.528  -1.528
   45   2HB   CYS   7           HB1      CYS   7   2.558  -2.075  -2.075
   46    H    THR   8           HN       THR   8   6.511  -3.160  -3.160
   47    HA   THR   8           HA       THR   8   7.216  -1.077  -1.077
   48    HB   THR   8           HB       THR   8   8.137  -0.952  -0.952
   49    HG1  THR   8           HG1      THR   8  10.158  -0.528  -0.528
   50   1HG2  THR   8          HG23      THR   8   8.210  -3.673  -3.673
   51   2HG2  THR   8          HG22      THR   8   9.909  -3.296  -3.296
   52   3HG2  THR   8          HG21      THR   8   9.107  -2.701  -2.701
   53    H    VAL   9           HN       VAL   9   7.805  -1.602  -1.602
   54    HA   VAL   9           HA       VAL   9   9.497  -3.988  -3.988
   55    HB   VAL   9           HB       VAL   9   7.076  -3.360  -3.360
   56   1HG1  VAL   9          HG11      VAL   9   9.244  -5.451  -5.451
   57   2HG1  VAL   9          HG13      VAL   9   7.660  -5.792  -5.792
   58   3HG1  VAL   9          HG12      VAL   9   8.632  -4.464  -4.464
   59   1HG2  VAL   9          HG21      VAL   9   7.535  -5.458  -5.458
   60   2HG2  VAL   9          HG23      VAL   9   6.311  -4.189  -4.189
   61   3HG2  VAL   9          HG22      VAL   9   6.204  -5.513  -5.513
   62    H    ALA  10           HN       ALA  10  10.461  -3.931  -3.931
   63    HA   ALA  10           HA       ALA  10  11.403  -1.218  -1.218
   64   1HB   ALA  10           HB2      ALA  10  12.092  -3.915  -3.915
   65   2HB   ALA  10           HB1      ALA  10  12.773  -2.414  -2.414
   66   3HB   ALA  10           HB3      ALA  10  13.088  -2.896  -2.896
   67    HA   PRO  11           HA       PRO  11   8.523   0.289   0.289
   68   1HB   PRO  11           HB2      PRO  11  10.816   0.739   0.739
   69   2HB   PRO  11           HB1      PRO  11   9.685   1.908   1.908
   70   1HG   PRO  11           HG2      PRO  11  12.336   1.263   1.263
   71   2HG   PRO  11           HG1      PRO  11  11.221   2.466   2.466
   72   1HD   PRO  11           HD2      PRO  11  12.024   0.173   0.173
   73   2HD   PRO  11           HD1      PRO  11  10.542   1.083   1.083
   74    H    ARG  12           HN       ARG  12  11.192  -1.833  -1.833
   75    HA   ARG  12           HA       ARG  12   9.619  -2.714  -2.714
   76   1HB   ARG  12           HB2      ARG  12  12.263  -3.757  -3.757
   77   2HB   ARG  12           HB1      ARG  12  11.567  -4.079  -4.079
   78   1HG   ARG  12           HG2      ARG  12  11.529  -1.457  -1.457
   79   2HG   ARG  12           HG1      ARG  12  12.758  -1.535  -1.535
   80   1HD   ARG  12           HD2      ARG  12  13.857  -3.338  -3.338
   81   2HD   ARG  12           HD1      ARG  12  12.864  -2.599  -2.599
   82    HE   ARG  12           HE       ARG  12  14.230  -0.704  -0.704
   83   1HH1  ARG  12          HH11      ARG  12  14.795  -2.799  -2.799
   84   2HH1  ARG  12          HH12      ARG  12  16.188  -1.928  -1.928
   85   1HH2  ARG  12          HH21      ARG  12  16.059   0.423   0.423
   86   2HH2  ARG  12          HH22      ARG  12  16.900  -0.112  -0.112
   87    H    GLU  13           HN       GLU  13  10.877  -4.152  -4.152
   88    HA   GLU  13           HA       GLU  13   9.676  -6.703  -6.703
   89   1HB   GLU  13           HB2      GLU  13  10.417  -5.371  -5.371
   90   2HB   GLU  13           HB1      GLU  13  10.154  -7.097  -7.097
   91   1HG   GLU  13           HG2      GLU  13  12.261  -5.485  -5.485
   92   2HG   GLU  13           HG1      GLU  13  12.582  -6.421  -6.421
   93    H    ARG  14           HN       ARG  14   8.219  -3.709  -3.709
   94    HA   ARG  14           HA       ARG  14   6.139  -4.478  -4.478
   95   1HB   ARG  14           HB2      ARG  14   6.576  -2.211  -2.211
   96   2HB   ARG  14           HB1      ARG  14   4.981  -2.450  -2.450
   97   1HG   ARG  14           HG2      ARG  14   5.996  -2.404  -2.404
   98   2HG   ARG  14           HG1      ARG  14   7.579  -2.130  -2.130
   99   1HD   ARG  14           HD2      ARG  14   6.597  -0.070  -0.070
  100   2HD   ARG  14           HD1      ARG  14   5.170  -0.301  -0.301
  101    HE   ARG  14           HE       ARG  14   7.548  -0.304  -0.304
  102   1HH1  ARG  14          HH11      ARG  14   5.361   1.760   1.760
  103   2HH1  ARG  14          HH12      ARG  14   5.677   3.152   3.152
  104   1HH2  ARG  14          HH21      ARG  14   7.949   1.533   1.533
  105   2HH2  ARG  14          HH22      ARG  14   7.136   3.024   3.024
  106    H    GLN  15           HN       GLN  15   4.382  -5.753  -5.753
  107    HA   GLN  15           HA       GLN  15   3.927  -6.628  -6.628
  108   1HB   GLN  15           HB2      GLN  15   2.458  -7.393  -7.393
  109   2HB   GLN  15           HB1      GLN  15   2.385  -8.231  -8.231
  110   1HG   GLN  15           HG2      GLN  15   4.906  -7.878  -7.878
  111   2HG   GLN  15           HG1      GLN  15   3.929  -9.345  -9.345
  112   1HE2  GLN  15          HE22      GLN  15   5.412 -10.505 -10.505
  113   2HE2  GLN  15          HE21      GLN  15   4.462 -10.846 -10.846
  114    H    ASN  16           HN       ASN  16   2.478  -5.615  -5.615
  115    HA   ASN  16           HA       ASN  16   0.897  -3.429  -3.429
  116   1HB   ASN  16           HB2      ASN  16   1.754  -3.971  -3.971
  117   2HB   ASN  16           HB1      ASN  16   0.330  -5.005  -5.005
  118   1HD2  ASN  16          HD22      ASN  16  -1.095  -1.938  -1.938
  119   2HD2  ASN  16          HD21      ASN  16  -0.303  -3.353  -3.353
  120    H    CYS  17           HN       CYS  17  -0.813  -3.692  -3.692
  121    HA   CYS  17           HA       CYS  17  -2.346  -6.167  -6.167
  122   1HB   CYS  17           HB2      CYS  17  -1.803  -4.856  -4.856
  123   2HB   CYS  17           HB1      CYS  17  -2.868  -3.581  -3.581
  124    H    GLY  18           HN       GLY  18  -2.473  -3.125  -3.125
  125   1HA   GLY  18           HA2      GLY  18  -4.608  -3.789  -3.789
  126   2HA   GLY  18           HA1      GLY  18  -5.289  -2.860  -2.860
  127    H    PHE  19           HN       PHE  19  -5.607  -1.545  -1.545
  128    HA   PHE  19           HA       PHE  19  -3.366  -0.051  -0.051
  129   1HB   PHE  19           HB2      PHE  19  -5.174   1.533   1.533
  130   2HB   PHE  19           HB1      PHE  19  -5.235  -0.129  -0.129
  131    HD1  PHE  19           HD2      PHE  19  -6.865  -1.749  -1.749
  132    HD2  PHE  19           HD1      PHE  19  -6.985   2.483   2.483
  133    HE1  PHE  19           HE2      PHE  19  -9.193  -1.960  -1.960
  134    HE2  PHE  19           HE1      PHE  19  -9.320   2.269   2.269
  135    HZ   PHE  19           HZ       PHE  19 -10.420   0.050   0.050
  136    HA   PRO  20           HA       PRO  20  -3.033   3.115   3.115
  137   1HB   PRO  20           HB2      PRO  20  -2.428   5.317   5.317
  138   2HB   PRO  20           HB1      PRO  20  -1.282   4.086   4.086
  139   1HG   PRO  20           HG2      PRO  20  -2.217   4.583   4.583
  140   2HG   PRO  20           HG1      PRO  20  -1.045   3.377   3.377
  141   1HD   PRO  20           HD2      PRO  20  -3.864   3.020   3.020
  142   2HD   PRO  20           HD1      PRO  20  -2.593   1.798   1.798
  143    H    GLY  21           HN       GLY  21  -5.197   3.915   3.915
  144   1HA   GLY  21           HA2      GLY  21  -6.376   6.244   6.244
  145   2HA   GLY  21           HA1      GLY  21  -7.167   5.130   5.130
  146    H    VAL  22           HN       VAL  22  -6.399   3.079   3.079
  147    HA   VAL  22           HA       VAL  22  -9.029   2.865   2.865
  148    HB   VAL  22           HB       VAL  22  -7.968   1.399   1.399
  149   1HG1  VAL  22          HG12      VAL  22  -8.592   0.606   0.606
  150   2HG1  VAL  22          HG11      VAL  22  -6.916   0.875   0.875
  151   3HG1  VAL  22          HG13      VAL  22  -7.298  -0.320  -0.320
  152   1HG2  VAL  22          HG22      VAL  22  -5.477   2.492   2.492
  153   2HG2  VAL  22          HG21      VAL  22  -5.863   2.411   2.411
  154   3HG2  VAL  22          HG23      VAL  22  -5.471   0.938   0.938
  155    H    THR  23           HN       THR  23  -9.311   2.895   2.895
  156    HA   THR  23           HA       THR  23  -8.042   5.320   5.320
  157    HB   THR  23           HB       THR  23 -10.325   5.982   5.982
  158    HG1  THR  23           HG1      THR  23 -12.061   4.953   4.953
  159   1HG2  THR  23          HG22      THR  23  -9.779   5.923   5.923
  160   2HG2  THR  23          HG21      THR  23 -11.101   6.848   6.848
  161   3HG2  THR  23          HG23      THR  23  -9.431   7.229   7.229
  162    HA   PRO  24           HA       PRO  24  -7.350   3.391   3.391
  163   1HB   PRO  24           HB2      PRO  24  -9.421   5.025   5.025
  164   2HB   PRO  24           HB1      PRO  24  -7.674   4.991   4.991
  165   1HG   PRO  24           HG2      PRO  24  -9.198   6.873   6.873
  166   2HG   PRO  24           HG1      PRO  24  -7.467   6.887   6.887
  167   1HD   PRO  24           HD2      PRO  24  -8.519   6.483   6.483
  168   2HD   PRO  24           HD1      PRO  24  -6.910   5.933   5.933
  169    H    SER  25           HN       SER  25 -10.729   3.867   3.867
  170    HA   SER  25           HA       SER  25 -11.838   1.927   1.927
  171   1HB   SER  25           HB2      SER  25 -13.065   2.695   2.695
  172   2HB   SER  25           HB1      SER  25 -13.870   2.291   2.291
  173    HG   SER  25           HG       SER  25 -13.890   4.378   4.378
  174    H    GLN  26           HN       GLN  26 -11.089   1.841   1.841
  175    HA   GLN  26           HA       GLN  26 -11.733  -0.895  -0.895
  176   1HB   GLN  26           HB2      GLN  26  -9.836   0.925   0.925
  177   2HB   GLN  26           HB1      GLN  26 -10.264  -0.701  -0.701
  178   1HG   GLN  26           HG2      GLN  26 -12.685  -0.006  -0.006
  179   2HG   GLN  26           HG1      GLN  26 -12.147   1.643   1.643
  180   1HE2  GLN  26          HE22      GLN  26 -11.230   2.282   2.282
  181   2HE2  GLN  26          HE21      GLN  26 -11.310   2.874   2.874
  182    H    CYS  27           HN       CYS  27  -8.594   0.728   0.728
  183    HA   CYS  27           HA       CYS  27  -7.053  -1.660  -1.660
  184   1HB   CYS  27           HB2      CYS  27  -6.301   0.843   0.843
  185   2HB   CYS  27           HB1      CYS  27  -6.401   0.718   0.718
  186    H    ALA  28           HN       ALA  28  -9.227  -0.223  -0.223
  187    HA   ALA  28           HA       ALA  28  -8.188  -1.934  -1.934
  188   1HB   ALA  28           HB2      ALA  28  -8.847   0.445   0.445
  189   2HB   ALA  28           HB1      ALA  28 -10.509   0.016   0.016
  190   3HB   ALA  28           HB3      ALA  28  -9.720  -0.722  -0.722
  191    H    ASN  29           HN       ASN  29 -10.405  -2.180  -2.180
  192    HA   ASN  29           HA       ASN  29 -12.486  -3.644  -3.644
  193   1HB   ASN  29           HB2      ASN  29 -12.777  -2.471  -2.471
  194   2HB   ASN  29           HB1      ASN  29 -11.731  -3.686  -3.686
  195   1HD2  ASN  29          HD22      ASN  29 -15.610  -4.559  -4.559
  196   2HD2  ASN  29          HD21      ASN  29 -14.980  -2.997  -2.997
  197    H    LYS  30           HN       LYS  30  -9.512  -4.523  -4.523
  198    HA   LYS  30           HA       LYS  30 -10.052  -7.371  -7.371
  199   1HB   LYS  30           HB2      LYS  30  -9.104  -6.469  -6.469
  200   2HB   LYS  30           HB1      LYS  30  -7.613  -6.144  -6.144
  201   1HG   LYS  30           HG2      LYS  30  -7.141  -8.390  -8.390
  202   2HG   LYS  30           HG1      LYS  30  -8.837  -8.865  -8.865
  203   1HD   LYS  30           HD2      LYS  30  -7.616  -7.671  -7.671
  204   2HD   LYS  30           HD1      LYS  30  -7.178  -9.328  -9.328
  205   1HE   LYS  30           HE2      LYS  30  -9.084  -9.620  -9.620
  206   2HE   LYS  30           HE1      LYS  30  -9.742  -9.683  -9.683
  207   1HZ   LYS  30           HZ3      LYS  30  -9.527  -7.064  -7.064
  208   2HZ   LYS  30           HZ2      LYS  30 -10.655  -8.102  -8.102
  209   3HZ   LYS  30           HZ1      LYS  30 -10.770  -7.748  -7.748
  210    H    GLY  31           HN       GLY  31  -7.782  -4.794  -4.794
  211   1HA   GLY  31           HA2      GLY  31  -7.013  -4.859  -4.859
  212   2HA   GLY  31           HA1      GLY  31  -6.853  -6.606  -6.606
  213    H    CYS  32           HN       CYS  32  -5.868  -4.140  -4.140
  214    HA   CYS  32           HA       CYS  32  -3.142  -5.258  -5.258
  215   1HB   CYS  32           HB2      CYS  32  -4.750  -3.802  -3.802
  216   2HB   CYS  32           HB1      CYS  32  -3.001  -3.591  -3.591
  217    H    CYS  33           HN       CYS  33  -1.323  -3.929  -3.929
  218    HA   CYS  33           HA       CYS  33  -1.795  -1.699  -1.699
  219   1HB   CYS  33           HB2      CYS  33   0.781  -2.481  -2.481
  220   2HB   CYS  33           HB1      CYS  33   0.631  -1.464  -1.464
  221    H    PHE  34           HN       PHE  34  -2.362   0.337   0.337
  222    HA   PHE  34           HA       PHE  34  -1.884   1.120   1.120
  223   1HB   PHE  34           HB2      PHE  34  -4.106   1.486   1.486
  224   2HB   PHE  34           HB1      PHE  34  -3.304   2.659   2.659
  225    HD1  PHE  34           HD2      PHE  34  -2.344   4.740   4.740
  226    HD2  PHE  34           HD1      PHE  34  -4.575   1.973   1.973
  227    HE1  PHE  34           HE2      PHE  34  -2.597   6.473   6.473
  228    HE2  PHE  34           HE1      PHE  34  -4.828   3.704   3.704
  229    HZ   PHE  34           HZ       PHE  34  -3.839   5.954   5.954
  230    H    ASP  35           HN       ASP  35  -0.608   2.964   2.964
  231    HA   ASP  35           HA       ASP  35   0.662   4.560   4.560
  232   1HB   ASP  35           HB2      ASP  35   1.965   2.354   2.354
  233   2HB   ASP  35           HB1      ASP  35   2.470   2.837   2.837
  234    H    ASP  36           HN       ASP  36   0.365   6.525   6.525
  235    HA   ASP  36           HA       ASP  36   0.983   6.690   6.690
  236   1HB   ASP  36           HB2      ASP  36  -0.379   8.830   8.830
  237   2HB   ASP  36           HB1      ASP  36  -1.293   7.346   7.346
  238    H    THR  37           HN       THR  37   3.322   6.756   6.756
  239    HA   THR  37           HA       THR  37   3.977   9.504   9.504
  240    HB   THR  37           HB       THR  37   6.218   8.339   8.339
  241    HG1  THR  37           HG1      THR  37   6.166   6.184   6.184
  242   1HG2  THR  37          HG23      THR  37   3.579   8.062   8.062
  243   2HG2  THR  37          HG22      THR  37   5.002   7.287   7.287
  244   3HG2  THR  37          HG21      THR  37   4.982   9.032   9.032
  245    H    VAL  38           HN       VAL  38   5.281   6.837   6.837
  246    HA   VAL  38           HA       VAL  38   6.757   8.856   8.856
  247    HB   VAL  38           HB       VAL  38   6.796   5.832   5.832
  248   1HG1  VAL  38          HG11      VAL  38   8.551   8.049   8.049
  249   2HG1  VAL  38          HG13      VAL  38   9.018   6.347   6.347
  250   3HG1  VAL  38          HG12      VAL  38   7.606   6.880   6.880
  251   1HG2  VAL  38          HG21      VAL  38   8.341   7.780   7.780
  252   2HG2  VAL  38          HG23      VAL  38   7.661   6.216   6.216
  253   3HG2  VAL  38          HG22      VAL  38   9.112   6.293   6.293
  254    H    ARG  39           HN       ARG  39   6.611   8.783   8.783
  255    HA   ARG  39           HA       ARG  39   3.852   8.122   8.122
  256   1HB   ARG  39           HB2      ARG  39   5.938  10.026  10.026
  257   2HB   ARG  39           HB1      ARG  39   4.450   9.637   9.637
  258   1HG   ARG  39           HG2      ARG  39   4.135  10.415  10.415
  259   2HG   ARG  39           HG1      ARG  39   4.637  11.697  11.697
  260   1HD   ARG  39           HD2      ARG  39   2.429   9.947   9.947
  261   2HD   ARG  39           HD1      ARG  39   2.046  11.033  11.033
  262    HE   ARG  39           HE       ARG  39   3.385  12.182  12.182
  263   1HH1  ARG  39          HH21      ARG  39   0.516  11.733  11.733
  264   2HH1  ARG  39          HH22      ARG  39  -0.332  13.064  13.064
  265   1HH2  ARG  39          HH11      ARG  39   2.255  13.921  13.921
  266   2HH2  ARG  39          HH12      ARG  39   0.650  14.295  14.295
  267    H    GLY  40           HN       GLY  40   3.722   7.402   7.402
  268   1HA   GLY  40           HA2      GLY  40   4.444   6.043   6.043
  269   2HA   GLY  40           HA1      GLY  40   6.055   6.024   6.024
  270    H    VAL  41           HN       VAL  41   5.419   5.088   5.088
  271    HA   VAL  41           HA       VAL  41   5.051   2.267   2.267
  272    HB   VAL  41           HB       VAL  41   5.432   2.027   2.027
  273   1HG1  VAL  41          HG13      VAL  41   7.302   3.635   3.635
  274   2HG1  VAL  41          HG12      VAL  41   7.751   3.212   3.212
  275   3HG1  VAL  41          HG11      VAL  41   7.419   1.940   1.940
  276   1HG2  VAL  41          HG23      VAL  41   5.614   5.056   5.056
  277   2HG2  VAL  41          HG22      VAL  41   4.370   4.133   4.133
  278   3HG2  VAL  41          HG21      VAL  41   6.042   4.074   4.074
  279    HA   PRO  42           HA       PRO  42   0.785   2.024   2.024
  280   1HB   PRO  42           HB2      PRO  42   0.816  -0.521  -0.521
  281   2HB   PRO  42           HB1      PRO  42   0.704  -0.169  -0.169
  282   1HG   PRO  42           HG2      PRO  42   2.851  -1.414  -1.414
  283   2HG   PRO  42           HG1      PRO  42   2.757  -1.011  -1.011
  284   1HD   PRO  42           HD2      PRO  42   4.132   0.431   0.431
  285   2HD   PRO  42           HD1      PRO  42   4.429   0.481   0.481
  286    H    TRP  43           HN       TRP  43  -0.380   2.785   2.785
  287    HA   TRP  43           HA       TRP  43   0.968   3.018   3.018
  288   1HB   TRP  43           HB2      TRP  43  -1.881   3.742   3.742
  289   2HB   TRP  43           HB1      TRP  43  -0.986   4.300   4.300
  290    HD1  TRP  43           HD1      TRP  43   1.785   4.911   4.911
  291    HE1  TRP  43           HE1      TRP  43   1.930   6.991   6.991
  292    HE3  TRP  43           HE3      TRP  43  -3.182   5.701   5.701
  293    HZ2  TRP  43           HZ2      TRP  43   0.174   8.755   8.755
  294    HZ3  TRP  43           HZ3      TRP  43  -3.916   7.588   7.588
  295    HH2  TRP  43           HH2      TRP  43  -2.246   9.115   9.115
  296    H    CYS  44           HN       CYS  44  -1.797   1.161   1.161
  297    HA   CYS  44           HA       CYS  44  -2.207  -0.112  -0.112
  298   1HB   CYS  44           HB2      CYS  44  -4.098   0.550   0.550
  299   2HB   CYS  44           HB1      CYS  44  -3.572  -0.777  -0.777
  300    H    PHE  45           HN       PHE  45  -0.660  -1.661  -1.661
  301    HA   PHE  45           HA       PHE  45  -0.179  -3.720  -3.720
  302   1HB   PHE  45           HB2      PHE  45   2.191  -3.817  -3.817
  303   2HB   PHE  45           HB1      PHE  45   1.776  -2.200  -2.200
  304    HD1  PHE  45           HD2      PHE  45   0.935  -0.562  -0.562
  305    HD2  PHE  45           HD1      PHE  45   3.404  -4.018  -4.018
  306    HE1  PHE  45           HE2      PHE  45   1.737   0.385   0.385
  307    HE2  PHE  45           HE1      PHE  45   4.212  -3.074  -3.074
  308    HZ   PHE  45           HZ       PHE  45   3.379  -0.870  -0.870
  309    H    TYR  46           HN       TYR  46   1.028  -5.685  -5.685
  310    HA   TYR  46           HA       TYR  46  -0.704  -6.422  -6.422
  311   1HB   TYR  46           HB2      TYR  46   1.286  -7.857  -7.857
  312   2HB   TYR  46           HB1      TYR  46   0.737  -8.593  -8.593
  313    HD1  TYR  46           HD1      TYR  46  -1.770  -8.875  -8.875
  314    HD2  TYR  46           HD2      TYR  46  -0.081  -7.874  -7.874
  315    HE1  TYR  46           HE1      TYR  46  -3.866  -9.594  -9.594
  316    HE2  TYR  46           HE2      TYR  46  -2.175  -8.592  -8.592
  317    HH   TYR  46           HH       TYR  46  -4.961  -9.756  -9.756
  318    HA   PRO  47           HA       PRO  47   2.452  -5.940  -5.940
  319   1HB   PRO  47           HB2      PRO  47   1.648  -7.946  -7.946
  320   2HB   PRO  47           HB1      PRO  47   0.856  -6.371  -6.371
  321   1HG   PRO  47           HG2      PRO  47  -0.183  -8.941  -8.941
  322   2HG   PRO  47           HG1      PRO  47  -0.966  -7.362  -7.362
  323   1HD   PRO  47           HD2      PRO  47   0.423  -8.988  -8.988
  324   2HD   PRO  47           HD1      PRO  47  -0.801  -7.718  -7.718
  325    H    ASN  48           HN       ASN  48   4.035  -7.344  -7.344
  326    HA   ASN  48           HA       ASN  48   5.098  -9.567  -9.567
  327   1HB   ASN  48           HB2      ASN  48   6.424  -7.182  -7.182
  328   2HB   ASN  48           HB1      ASN  48   7.310  -8.704  -8.704
  329   1HD2  ASN  48          HD22      ASN  48   8.419  -8.124  -8.124
  330   2HD2  ASN  48          HD21      ASN  48   8.835  -8.447  -8.447
  331    H    THR  49           HN       THR  49   4.320 -11.313 -11.313
  332    HA   THR  49           HA       THR  49   4.869 -11.269 -11.269
  333    HB   THR  49           HB       THR  49   3.283 -13.193 -13.193
  334    HG1  THR  49           HG1      THR  49   2.993 -12.572 -12.572
  335   1HG2  THR  49          HG21      THR  49   2.676 -10.602 -10.602
  336   2HG2  THR  49          HG23      THR  49   1.861 -11.059 -11.059
  337   3HG2  THR  49          HG22      THR  49   1.415 -11.835 -11.835
  338    H    ILE  50           HN       ILE  50   7.106 -11.852 -11.852
  339    HA   ILE  50           HA       ILE  50   7.675 -14.502 -14.502
  340    HB   ILE  50           HB       ILE  50   9.627 -12.315 -12.315
  341   1HG1  ILE  50          HG12      ILE  50   8.775 -13.133 -13.133
  342   2HG1  ILE  50          HG11      ILE  50   8.014 -11.799 -11.799
  343   1HG2  ILE  50          HG21      ILE  50  10.306 -14.832 -14.832
  344   2HG2  ILE  50          HG23      ILE  50  10.132 -14.633 -14.633
  345   3HG2  ILE  50          HG22      ILE  50  11.299 -13.653 -13.653
  346   1HD1  ILE  50          HD12      ILE  50  10.533 -11.044 -11.044
  347   2HD1  ILE  50          HD11      ILE  50  10.798 -12.014 -12.014
  348   3HD1  ILE  50          HD13      ILE  50   9.682 -10.649 -10.649
  349    H    ASP  51           HN       ASP  51   8.556 -16.128 -16.128
  350    HA   ASP  51           HA       ASP  51   9.409 -15.481 -15.481
  351   1HB   ASP  51           HB2      ASP  51   6.833 -16.899 -16.899
  352   2HB   ASP  51           HB1      ASP  51   7.737 -17.327 -17.327
  353    H    VAL  52           HN       VAL  52  11.078 -16.851 -16.851
  354    HA   VAL  52           HA       VAL  52  11.055 -19.592 -19.592
  355    HB   VAL  52           HB       VAL  52  13.368 -19.337 -19.337
  356   1HG1  VAL  52          HG13      VAL  52  11.243 -19.167 -19.167
  357   2HG1  VAL  52          HG12      VAL  52  11.433 -17.417 -17.417
  358   3HG1  VAL  52          HG11      VAL  52  12.668 -18.403 -18.403
  359   1HG2  VAL  52          HG21      VAL  52  12.848 -16.516 -16.516
  360   2HG2  VAL  52          HG23      VAL  52  14.341 -17.450 -17.450
  361   3HG2  VAL  52          HG22      VAL  52  13.790 -16.776 -16.776
  362    HA   PRO  53           HA       PRO  53  12.089 -19.190 -19.190
  363   1HB   PRO  53           HB2      PRO  53  11.946 -22.108 -22.108
  364   2HB   PRO  53           HB1      PRO  53  11.043 -21.041 -21.041
  365   1HG   PRO  53           HG2      PRO  53  10.191 -22.195 -22.195
  366   2HG   PRO  53           HG1      PRO  53   9.269 -21.179 -21.179
  367   1HD   PRO  53           HD2      PRO  53  10.045 -20.411 -20.411
  368   2HD   PRO  53           HD1      PRO  53   9.631 -19.288 -19.288
  369    HA   PRO  54           HA       PRO  54  15.993 -21.831 -21.831
  370   1HB   PRO  54           HB2      PRO  54  16.016 -23.284 -23.284
  371   2HB   PRO  54           HB1      PRO  54  15.471 -23.902 -23.902
  372   1HG   PRO  54           HG2      PRO  54  13.907 -23.434 -23.434
  373   2HG   PRO  54           HG1      PRO  54  13.361 -24.013 -24.013
  374   1HD   PRO  54           HD2      PRO  54  13.236 -21.282 -21.282
  375   2HD   PRO  54           HD1      PRO  54  12.242 -22.025 -22.025
  376    H    GLU  55           HN       GLU  55  17.616 -22.252 -22.252
  377    HA   GLU  55           HA       GLU  55  18.323 -19.555 -19.555
  378   1HB   GLU  55           HB2      GLU  55  19.959 -20.647 -20.647
  379   2HB   GLU  55           HB1      GLU  55  20.037 -21.279 -21.279
  380   1HG   GLU  55           HG2      GLU  55  18.153 -22.645 -22.645
  381   2HG   GLU  55           HG1      GLU  55  19.874 -22.883 -22.883
  382    H    GLU  56           HN       GLU  56  18.461 -18.728 -18.728
  383    HA   GLU  56           HA       GLU  56  15.915 -18.994 -18.994
  384   1HB   GLU  56           HB2      GLU  56  18.483 -17.658 -17.658
  385   2HB   GLU  56           HB1      GLU  56  16.921 -17.479 -17.479
  386   1HG   GLU  56           HG2      GLU  56  16.003 -16.677 -16.677
  387   2HG   GLU  56           HG1      GLU  56  17.671 -16.611 -16.611
  388    H    GLU  57           HN       GLU  57  16.118 -19.260 -19.260
  389    HA   GLU  57           HA       GLU  57  17.508 -21.850 -21.850
  390   1HB   GLU  57           HB2      GLU  57  15.829 -22.206 -22.206
  391   2HB   GLU  57           HB1      GLU  57  15.093 -22.050 -22.050
  392   1HG   GLU  57           HG2      GLU  57  15.458 -19.512 -19.512
  393   2HG   GLU  57           HG1      GLU  57  14.274 -20.629 -20.629
  394    H    SER  58           HN       SER  58  18.597 -22.188 -22.188
  395    HA   SER  58           HA       SER  58  19.546 -19.649 -19.649
  396   1HB   SER  58           HB2      SER  58  20.640 -22.423 -22.423
  397   2HB   SER  58           HB1      SER  58  21.439 -20.878 -20.878
  398    HG   SER  58           HG       SER  58  21.824 -20.684 -20.684
  399    H    GLU  59           HN       GLU  59  19.873 -19.652 -19.652
  400    HA   GLU  59           HA       GLU  59  17.431 -20.578 -20.578
  401   1HB   GLU  59           HB2      GLU  59  19.752 -18.848 -18.848
  402   2HB   GLU  59           HB1      GLU  59  18.791 -19.567 -19.567
  403   1HG   GLU  59           HG2      GLU  59  17.616 -17.595 -17.595
  404   2HG   GLU  59           HG1      GLU  59  16.760 -18.687 -18.687
  405    H    PHE  60           HN       PHE  60  17.398 -22.787 -22.787
  406    HA   PHE  60           HA       PHE  60  19.841 -24.040 -24.040
  407   1HB   PHE  60           HB2      PHE  60  17.262 -25.212 -25.212
  408   2HB   PHE  60           HB1      PHE  60  18.586 -26.171 -26.171
  409    HD1  PHE  60           HD2      PHE  60  21.007 -25.357 -25.357
  410    HD2  PHE  60           HD1      PHE  60  17.220 -25.021 -25.021
  411    HE1  PHE  60           HE2      PHE  60  22.170 -25.266 -25.266
  412    HE2  PHE  60           HE1      PHE  60  18.383 -24.928 -24.928
  413    HZ   PHE  60           HZ       PHE  60  20.859 -25.049 -25.049

  Start of MODEL   16
    1   1H    GLU   1           HT3      GLU   1   6.435 -16.052 -16.052
    2   2H    GLU   1           HT2      GLU   1   5.842 -16.970 -16.970
    3   3H    GLU   1           HT1      GLU   1   7.198 -17.504 -17.504
    4    HA   GLU   1           HA       GLU   1   8.597 -16.256 -16.256
    5   1HB   GLU   1           HB2      GLU   1   7.744 -15.610 -15.610
    6   2HB   GLU   1           HB1      GLU   1   7.356 -17.272 -17.272
    7   1HG   GLU   1           HG2      GLU   1   5.322 -15.315 -15.315
    8   2HG   GLU   1           HG1      GLU   1   5.527 -15.411 -15.411
    9    H    ALA   2           HN       ALA   2   9.371 -14.111 -14.111
   10    HA   ALA   2           HA       ALA   2   7.591 -12.000 -12.000
   11   1HB   ALA   2           HB2      ALA   2   9.774 -12.488 -12.488
   12   2HB   ALA   2           HB1      ALA   2  10.609 -11.927 -11.927
   13   3HB   ALA   2           HB3      ALA   2   9.584 -10.819 -10.819
   14    H    GLN   3           HN       GLN   3   6.608 -11.906 -11.906
   15    HA   GLN   3           HA       GLN   3   8.169 -10.041 -10.041
   16   1HB   GLN   3           HB2      GLN   3   7.181 -12.749 -12.749
   17   2HB   GLN   3           HB1      GLN   3   7.079 -11.449 -11.449
   18   1HG   GLN   3           HG2      GLN   3   9.218 -12.210 -12.210
   19   2HG   GLN   3           HG1      GLN   3   9.578 -11.001 -11.001
   20   1HE2  GLN   3          HE22      GLN   3  11.221 -13.521 -13.521
   21   2HE2  GLN   3          HE21      GLN   3  11.318 -11.994 -11.994
   22    H    THR   4           HN       THR   4   6.638  -9.111  -9.111
   23    HA   THR   4           HA       THR   4   3.809  -9.159  -9.159
   24    HB   THR   4           HB       THR   4   3.988  -6.522  -6.522
   25    HG1  THR   4           HG1      THR   4   6.410  -6.964  -6.964
   26   1HG2  THR   4          HG21      THR   4   3.441  -8.150  -8.150
   27   2HG2  THR   4          HG23      THR   4   5.028  -7.628  -7.628
   28   3HG2  THR   4          HG22      THR   4   3.755  -6.438  -6.438
   29    H    GLU   5           HN       GLU   5   2.588  -7.554  -7.554
   30    HA   GLU   5           HA       GLU   5   3.505  -8.326  -8.326
   31   1HB   GLU   5           HB2      GLU   5   0.950  -7.141  -7.141
   32   2HB   GLU   5           HB1      GLU   5   1.255  -7.265  -7.265
   33   1HG   GLU   5           HG2      GLU   5   1.766  -9.744  -9.744
   34   2HG   GLU   5           HG1      GLU   5   1.040  -9.504  -9.504
   35    H    THR   6           HN       THR   6   4.207  -6.850  -6.850
   36    HA   THR   6           HA       THR   6   4.098  -3.980  -3.980
   37    HB   THR   6           HB       THR   6   6.609  -5.023  -5.023
   38    HG1  THR   6           HG1      THR   6   7.211  -6.037  -6.037
   39   1HG2  THR   6          HG21      THR   6   6.155  -2.600  -2.600
   40   2HG2  THR   6          HG23      THR   6   6.045  -2.914  -2.914
   41   3HG2  THR   6          HG22      THR   6   7.571  -3.166  -3.166
   42    H    CYS   7           HN       CYS   7   4.304  -2.576  -2.576
   43    HA   CYS   7           HA       CYS   7   3.698  -4.028  -4.028
   44   1HB   CYS   7           HB2      CYS   7   2.866  -1.228  -1.228
   45   2HB   CYS   7           HB1      CYS   7   2.410  -2.059  -2.059
   46    H    THR   8           HN       THR   8   6.381  -3.243  -3.243
   47    HA   THR   8           HA       THR   8   7.194  -1.108  -1.108
   48    HB   THR   8           HB       THR   8   8.030  -0.953  -0.953
   49    HG1  THR   8           HG1      THR   8  10.340  -1.805  -1.805
   50   1HG2  THR   8          HG23      THR   8   8.007  -3.651  -3.651
   51   2HG2  THR   8          HG22      THR   8   9.720  -3.381  -3.381
   52   3HG2  THR   8          HG21      THR   8   8.972  -2.690  -2.690
   53    H    VAL   9           HN       VAL   9   7.995  -1.635  -1.635
   54    HA   VAL   9           HA       VAL   9   9.581  -4.093  -4.093
   55    HB   VAL   9           HB       VAL   9   7.203  -3.480  -3.480
   56   1HG1  VAL   9          HG11      VAL   9   9.380  -5.551  -5.551
   57   2HG1  VAL   9          HG13      VAL   9   7.789  -5.971  -5.971
   58   3HG1  VAL   9          HG12      VAL   9   8.709  -4.653  -4.653
   59   1HG2  VAL   9          HG23      VAL   9   7.606  -5.421  -5.421
   60   2HG2  VAL   9          HG22      VAL   9   6.301  -4.256  -4.256
   61   3HG2  VAL   9          HG21      VAL   9   6.386  -5.690  -5.690
   62    H    ALA  10           HN       ALA  10  10.620  -4.129  -4.129
   63    HA   ALA  10           HA       ALA  10  11.727  -1.519  -1.519
   64   1HB   ALA  10           HB1      ALA  10  12.182  -4.296  -4.296
   65   2HB   ALA  10           HB3      ALA  10  12.638  -3.012  -3.012
   66   3HB   ALA  10           HB2      ALA  10  13.350  -3.069  -3.069
   67    HA   PRO  11           HA       PRO  11   8.519   0.153   0.153
   68   1HB   PRO  11           HB2      PRO  11  10.744   1.185   1.185
   69   2HB   PRO  11           HB1      PRO  11   9.470   2.066   2.066
   70   1HG   PRO  11           HG2      PRO  11  12.170   1.663   1.663
   71   2HG   PRO  11           HG1      PRO  11  10.885   2.523   2.523
   72   1HD   PRO  11           HD2      PRO  11  12.064   0.137   0.137
   73   2HD   PRO  11           HD1      PRO  11  10.518   0.776   0.776
   74    H    ARG  12           HN       ARG  12  11.486  -1.133  -1.133
   75    HA   ARG  12           HA       ARG  12  10.094  -1.826  -1.826
   76   1HB   ARG  12           HB2      ARG  12  12.800  -2.379  -2.379
   77   2HB   ARG  12           HB1      ARG  12  12.247  -3.356  -3.356
   78   1HG   ARG  12           HG2      ARG  12  11.768  -1.268  -1.268
   79   2HG   ARG  12           HG1      ARG  12  12.418  -0.330  -0.330
   80   1HD   ARG  12           HD2      ARG  12  14.172  -0.602  -0.602
   81   2HD   ARG  12           HD1      ARG  12  14.578  -1.586  -1.586
   82    HE   ARG  12           HE       ARG  12  13.404  -3.450  -3.450
   83   1HH1  ARG  12          HH11      ARG  12  15.363  -0.819  -0.819
   84   2HH1  ARG  12          HH12      ARG  12  15.912  -1.684  -1.684
   85   1HH2  ARG  12          HH21      ARG  12  14.138  -4.565  -4.565
   86   2HH2  ARG  12          HH22      ARG  12  15.221  -3.795  -3.795
   87    H    GLU  13           HN       GLU  13  11.274  -3.777  -3.777
   88    HA   GLU  13           HA       GLU  13   9.932  -6.148  -6.148
   89   1HB   GLU  13           HB2      GLU  13  11.588  -5.494  -5.494
   90   2HB   GLU  13           HB1      GLU  13  10.652  -6.989  -6.989
   91   1HG   GLU  13           HG2      GLU  13  11.833  -7.790  -7.790
   92   2HG   GLU  13           HG1      GLU  13  12.493  -6.196  -6.196
   93    H    ARG  14           HN       ARG  14   8.134  -3.950  -3.950
   94    HA   ARG  14           HA       ARG  14   6.741  -4.532  -4.532
   95   1HB   ARG  14           HB2      ARG  14   6.621  -2.400  -2.400
   96   2HB   ARG  14           HB1      ARG  14   5.141  -2.745  -2.745
   97   1HG   ARG  14           HG2      ARG  14   6.684  -2.629  -2.629
   98   2HG   ARG  14           HG1      ARG  14   7.784  -1.757  -1.757
   99   1HD   ARG  14           HD2      ARG  14   5.788  -0.268  -0.268
  100   2HD   ARG  14           HD1      ARG  14   4.964  -1.002  -1.002
  101    HE   ARG  14           HE       ARG  14   7.306  -0.195  -0.195
  102   1HH1  ARG  14          HH11      ARG  14   4.975   1.384   1.384
  103   2HH1  ARG  14          HH12      ARG  14   5.287   2.963   2.963
  104   1HH2  ARG  14          HH21      ARG  14   7.700   1.884   1.884
  105   2HH2  ARG  14          HH22      ARG  14   6.824   3.244   3.244
  106    H    GLN  15           HN       GLN  15   4.771  -5.634  -5.634
  107    HA   GLN  15           HA       GLN  15   4.030  -7.142  -7.142
  108   1HB   GLN  15           HB2      GLN  15   4.044  -7.794  -7.794
  109   2HB   GLN  15           HB1      GLN  15   2.361  -7.307  -7.307
  110   1HG   GLN  15           HG2      GLN  15   2.166  -9.514  -9.514
  111   2HG   GLN  15           HG1      GLN  15   2.571  -8.812  -8.812
  112   1HE2  GLN  15          HE21      GLN  15   4.591  -9.384  -9.384
  113   2HE2  GLN  15          HE22      GLN  15   5.699 -10.439 -10.439
  114    H    ASN  16           HN       ASN  16   2.801  -6.018  -6.018
  115    HA   ASN  16           HA       ASN  16   1.154  -3.800  -3.800
  116   1HB   ASN  16           HB2      ASN  16   2.107  -4.383  -4.383
  117   2HB   ASN  16           HB1      ASN  16   0.840  -5.603  -5.603
  118   1HD2  ASN  16          HD22      ASN  16  -1.805  -3.152  -3.152
  119   2HD2  ASN  16          HD21      ASN  16  -1.477  -4.704  -4.704
  120    H    CYS  17           HN       CYS  17  -0.772  -3.837  -3.837
  121    HA   CYS  17           HA       CYS  17  -2.253  -6.379  -6.379
  122   1HB   CYS  17           HB2      CYS  17  -1.714  -5.027  -5.027
  123   2HB   CYS  17           HB1      CYS  17  -2.814  -3.790  -3.790
  124    H    GLY  18           HN       GLY  18  -2.334  -3.280  -3.280
  125   1HA   GLY  18           HA2      GLY  18  -4.421  -3.937  -3.937
  126   2HA   GLY  18           HA1      GLY  18  -5.132  -3.024  -3.024
  127    H    PHE  19           HN       PHE  19  -5.433  -1.650  -1.650
  128    HA   PHE  19           HA       PHE  19  -3.173  -0.162  -0.162
  129   1HB   PHE  19           HB2      PHE  19  -4.974   1.450   1.450
  130   2HB   PHE  19           HB1      PHE  19  -5.032  -0.200  -0.200
  131    HD1  PHE  19           HD1      PHE  19  -6.685  -1.830  -1.830
  132    HD2  PHE  19           HD2      PHE  19  -6.774   2.364   2.364
  133    HE1  PHE  19           HE1      PHE  19  -9.017  -2.058  -2.058
  134    HE2  PHE  19           HE2      PHE  19  -9.109   2.133   2.133
  135    HZ   PHE  19           HZ       PHE  19 -10.229  -0.078  -0.078
  136    HA   PRO  20           HA       PRO  20  -2.835   2.956   2.956
  137   1HB   PRO  20           HB2      PRO  20  -2.219   5.182   5.182
  138   2HB   PRO  20           HB1      PRO  20  -1.079   3.939   3.939
  139   1HG   PRO  20           HG2      PRO  20  -2.004   4.481   4.481
  140   2HG   PRO  20           HG1      PRO  20  -0.838   3.260   3.260
  141   1HD   PRO  20           HD2      PRO  20  -3.656   2.926   2.926
  142   2HD   PRO  20           HD1      PRO  20  -2.391   1.697   1.697
  143    H    GLY  21           HN       GLY  21  -5.001   3.798   3.798
  144   1HA   GLY  21           HA2      GLY  21  -6.167   6.129   6.129
  145   2HA   GLY  21           HA1      GLY  21  -6.988   4.988   4.988
  146    H    VAL  22           HN       VAL  22  -6.237   2.940   2.940
  147    HA   VAL  22           HA       VAL  22  -8.826   2.846   2.846
  148    HB   VAL  22           HB       VAL  22  -7.770   1.302   1.302
  149   1HG1  VAL  22          HG12      VAL  22  -8.497   0.600   0.600
  150   2HG1  VAL  22          HG11      VAL  22  -6.813   0.763   0.763
  151   3HG1  VAL  22          HG13      VAL  22  -7.261  -0.422  -0.422
  152   1HG2  VAL  22          HG23      VAL  22  -5.285   2.325   2.325
  153   2HG2  VAL  22          HG22      VAL  22  -5.611   2.202   2.202
  154   3HG2  VAL  22          HG21      VAL  22  -5.310   0.744   0.744
  155    H    THR  23           HN       THR  23  -9.333   3.152   3.152
  156    HA   THR  23           HA       THR  23  -7.799   5.438   5.438
  157    HB   THR  23           HB       THR  23 -10.111   5.950   5.950
  158    HG1  THR  23           HG1      THR  23 -10.820   3.836   3.836
  159   1HG2  THR  23          HG21      THR  23  -8.812   7.083   7.083
  160   2HG2  THR  23          HG23      THR  23 -10.146   6.416   6.416
  161   3HG2  THR  23          HG22      THR  23 -10.472   7.545   7.545
  162    HA   PRO  24           HA       PRO  24  -6.814   3.480   3.480
  163   1HB   PRO  24           HB2      PRO  24  -8.685   5.193   5.193
  164   2HB   PRO  24           HB1      PRO  24  -6.922   5.098   5.098
  165   1HG   PRO  24           HG2      PRO  24  -8.526   7.030   7.030
  166   2HG   PRO  24           HG1      PRO  24  -6.766   6.983   6.983
  167   1HD   PRO  24           HD2      PRO  24  -8.090   6.610   6.610
  168   2HD   PRO  24           HD1      PRO  24  -6.450   6.021   6.021
  169    H    SER  25           HN       SER  25 -10.294   4.201   4.201
  170    HA   SER  25           HA       SER  25 -11.236   2.215   2.215
  171   1HB   SER  25           HB2      SER  25 -13.360   2.505   2.505
  172   2HB   SER  25           HB1      SER  25 -12.853   3.818   3.818
  173    HG   SER  25           HG       SER  25 -12.649   4.948   4.948
  174    H    GLN  26           HN       GLN  26 -10.879   2.265   2.265
  175    HA   GLN  26           HA       GLN  26 -11.813  -0.377  -0.377
  176   1HB   GLN  26           HB2      GLN  26 -10.116   1.552   1.552
  177   2HB   GLN  26           HB1      GLN  26 -10.240  -0.118  -0.118
  178   1HG   GLN  26           HG2      GLN  26 -12.694   0.063   0.063
  179   2HG   GLN  26           HG1      GLN  26 -12.585   1.727   1.727
  180   1HE2  GLN  26          HE22      GLN  26 -11.057   1.058   1.058
  181   2HE2  GLN  26          HE21      GLN  26 -10.748  -0.074  -0.074
  182    H    CYS  27           HN       CYS  27  -8.485   0.911   0.911
  183    HA   CYS  27           HA       CYS  27  -7.184  -1.604  -1.604
  184   1HB   CYS  27           HB2      CYS  27  -6.112   0.709   0.709
  185   2HB   CYS  27           HB1      CYS  27  -6.245   0.723   0.723
  186    H    ALA  28           HN       ALA  28  -8.922  -0.046  -0.046
  187    HA   ALA  28           HA       ALA  28  -7.895  -1.945  -1.945
  188   1HB   ALA  28           HB2      ALA  28  -8.448   0.502   0.502
  189   2HB   ALA  28           HB1      ALA  28 -10.145   0.041   0.041
  190   3HB   ALA  28           HB3      ALA  28  -9.129  -0.682  -0.682
  191    H    ASN  29           HN       ASN  29 -10.327  -1.912  -1.912
  192    HA   ASN  29           HA       ASN  29 -12.321  -3.410  -3.410
  193   1HB   ASN  29           HB2      ASN  29 -12.536  -1.921  -1.921
  194   2HB   ASN  29           HB1      ASN  29 -12.152  -3.443  -3.443
  195   1HD2  ASN  29          HD22      ASN  29 -15.863  -2.882  -2.882
  196   2HD2  ASN  29          HD21      ASN  29 -14.718  -1.634  -1.634
  197    H    LYS  30           HN       LYS  30  -9.656  -4.158  -4.158
  198    HA   LYS  30           HA       LYS  30 -10.303  -6.999  -6.999
  199   1HB   LYS  30           HB2      LYS  30  -8.326  -5.230  -5.230
  200   2HB   LYS  30           HB1      LYS  30  -7.851  -6.911  -6.911
  201   1HG   LYS  30           HG2      LYS  30 -10.602  -6.438  -6.438
  202   2HG   LYS  30           HG1      LYS  30  -9.268  -6.122  -6.122
  203   1HD   LYS  30           HD2      LYS  30  -8.358  -8.407  -8.407
  204   2HD   LYS  30           HD1      LYS  30  -9.854  -8.707  -8.707
  205   1HE   LYS  30           HE2      LYS  30 -11.115  -8.161  -8.161
  206   2HE   LYS  30           HE1      LYS  30  -9.563  -8.130  -8.130
  207   1HZ   LYS  30           HZ2      LYS  30 -10.605 -10.407 -10.407
  208   2HZ   LYS  30           HZ1      LYS  30 -10.677 -10.267 -10.267
  209   3HZ   LYS  30           HZ3      LYS  30  -9.174 -10.370 -10.370
  210    H    GLY  31           HN       GLY  31  -7.823  -4.832  -4.832
  211   1HA   GLY  31           HA2      GLY  31  -7.141  -5.404  -5.404
  212   2HA   GLY  31           HA1      GLY  31  -7.056  -7.082  -7.082
  213    H    CYS  32           HN       CYS  32  -5.928  -4.213  -4.213
  214    HA   CYS  32           HA       CYS  32  -3.195  -5.370  -5.370
  215   1HB   CYS  32           HB2      CYS  32  -4.763  -4.021  -4.021
  216   2HB   CYS  32           HB1      CYS  32  -3.023  -3.739  -3.739
  217    H    CYS  33           HN       CYS  33  -1.432  -3.922  -3.922
  218    HA   CYS  33           HA       CYS  33  -2.055  -1.692  -1.692
  219   1HB   CYS  33           HB2      CYS  33   0.570  -2.431  -2.431
  220   2HB   CYS  33           HB1      CYS  33   0.370  -1.321  -1.321
  221    H    PHE  34           HN       PHE  34  -2.546   0.373   0.373
  222    HA   PHE  34           HA       PHE  34  -2.071   1.085   1.085
  223   1HB   PHE  34           HB2      PHE  34  -4.370   1.338   1.338
  224   2HB   PHE  34           HB1      PHE  34  -3.719   2.533   2.533
  225    HD1  PHE  34           HD2      PHE  34  -4.433   1.795   1.795
  226    HD2  PHE  34           HD1      PHE  34  -3.077   4.745   4.745
  227    HE1  PHE  34           HE2      PHE  34  -4.653   3.552   3.552
  228    HE2  PHE  34           HE1      PHE  34  -3.297   6.502   6.502
  229    HZ   PHE  34           HZ       PHE  34  -4.085   5.907   5.907
  230    H    ASP  35           HN       ASP  35  -0.807   2.900   2.900
  231    HA   ASP  35           HA       ASP  35   0.244   4.638   4.638
  232   1HB   ASP  35           HB2      ASP  35   1.698   2.542   2.542
  233   2HB   ASP  35           HB1      ASP  35   2.196   3.004   3.004
  234    H    ASP  36           HN       ASP  36  -0.039   6.601   6.601
  235    HA   ASP  36           HA       ASP  36   0.562   6.784   6.784
  236   1HB   ASP  36           HB2      ASP  36  -0.896   8.816   8.816
  237   2HB   ASP  36           HB1      ASP  36  -1.757   7.341   7.341
  238    H    THR  37           HN       THR  37   2.861   6.842   6.842
  239    HA   THR  37           HA       THR  37   3.453   9.618   9.618
  240    HB   THR  37           HB       THR  37   5.573   8.698   8.698
  241    HG1  THR  37           HG1      THR  37   5.211   6.132   6.132
  242   1HG2  THR  37          HG22      THR  37   3.109   7.114   7.114
  243   2HG2  THR  37          HG21      THR  37   4.618   7.095   7.095
  244   3HG2  THR  37          HG23      THR  37   3.700   8.592   8.592
  245    H    VAL  38           HN       VAL  38   4.917   7.049   7.049
  246    HA   VAL  38           HA       VAL  38   6.200   9.183   9.183
  247    HB   VAL  38           HB       VAL  38   6.566   6.177   6.177
  248   1HG1  VAL  38          HG12      VAL  38   8.019   8.557   8.557
  249   2HG1  VAL  38          HG11      VAL  38   8.754   6.956   6.956
  250   3HG1  VAL  38          HG13      VAL  38   7.294   7.199   7.199
  251   1HG2  VAL  38          HG22      VAL  38   7.759   8.282   8.282
  252   2HG2  VAL  38          HG21      VAL  38   7.470   6.573   6.573
  253   3HG2  VAL  38          HG23      VAL  38   8.852   7.058   7.058
  254    H    ARG  39           HN       ARG  39   6.108   8.969   8.969
  255    HA   ARG  39           HA       ARG  39   3.415   8.047   8.047
  256   1HB   ARG  39           HB2      ARG  39   5.286  10.184  10.184
  257   2HB   ARG  39           HB1      ARG  39   4.077   9.508   9.508
  258   1HG   ARG  39           HG2      ARG  39   2.899  11.284  11.284
  259   2HG   ARG  39           HG1      ARG  39   2.432   9.945   9.945
  260   1HD   ARG  39           HD2      ARG  39   3.653  10.730  10.730
  261   2HD   ARG  39           HD1      ARG  39   4.912  11.408  11.408
  262    HE   ARG  39           HE       ARG  39   2.276  12.731  12.731
  263   1HH1  ARG  39          HH21      ARG  39   5.667  12.680  12.680
  264   2HH1  ARG  39          HH22      ARG  39   5.740  14.374  14.374
  265   1HH2  ARG  39          HH11      ARG  39   2.395  14.947  14.947
  266   2HH2  ARG  39          HH12      ARG  39   3.895  15.650  15.650
  267    H    GLY  40           HN       GLY  40   3.419   7.348   7.348
  268   1HA   GLY  40           HA2      GLY  40   4.293   6.016   6.016
  269   2HA   GLY  40           HA1      GLY  40   5.859   6.056   6.056
  270    H    VAL  41           HN       VAL  41   5.198   5.070   5.070
  271    HA   VAL  41           HA       VAL  41   4.910   2.249   2.249
  272    HB   VAL  41           HB       VAL  41   5.226   2.002   2.002
  273   1HG1  VAL  41          HG11      VAL  41   7.119   2.309   2.309
  274   2HG1  VAL  41          HG13      VAL  41   7.225   3.969   3.969
  275   3HG1  VAL  41          HG12      VAL  41   7.521   2.627   2.627
  276   1HG2  VAL  41          HG22      VAL  41   4.061   4.148   4.148
  277   2HG2  VAL  41          HG21      VAL  41   5.637   3.982   3.982
  278   3HG2  VAL  41          HG23      VAL  41   5.451   5.027   5.027
  279    HA   PRO  42           HA       PRO  42   0.618   1.874   1.874
  280   1HB   PRO  42           HB2      PRO  42   0.698  -0.687  -0.687
  281   2HB   PRO  42           HB1      PRO  42   0.617  -0.314  -0.314
  282   1HG   PRO  42           HG2      PRO  42   2.764  -1.519  -1.519
  283   2HG   PRO  42           HG1      PRO  42   2.703  -1.085  -1.085
  284   1HD   PRO  42           HD2      PRO  42   3.973   0.357   0.357
  285   2HD   PRO  42           HD1      PRO  42   4.322   0.444   0.444
  286    H    TRP  43           HN       TRP  43  -0.534   2.689   2.689
  287    HA   TRP  43           HA       TRP  43   0.713   2.916   2.916
  288   1HB   TRP  43           HB2      TRP  43  -2.159   3.485   3.485
  289   2HB   TRP  43           HB1      TRP  43  -1.320   4.081   4.081
  290    HD1  TRP  43           HD1      TRP  43   1.440   4.839   4.839
  291    HE1  TRP  43           HE1      TRP  43   1.487   6.946   6.946
  292    HE3  TRP  43           HE3      TRP  43  -3.558   5.402   5.402
  293    HZ2  TRP  43           HZ2      TRP  43  -0.350   8.646   8.646
  294    HZ3  TRP  43           HZ3      TRP  43  -4.379   7.273   7.273
  295    HH2  TRP  43           HH2      TRP  43  -2.785   8.894   8.894
  296    H    CYS  44           HN       CYS  44  -1.899   0.889   0.889
  297    HA   CYS  44           HA       CYS  44  -2.314  -0.381  -0.381
  298   1HB   CYS  44           HB2      CYS  44  -4.159   0.153   0.153
  299   2HB   CYS  44           HB1      CYS  44  -3.544  -1.241  -1.241
  300    H    PHE  45           HN       PHE  45  -0.734  -1.847  -1.847
  301    HA   PHE  45           HA       PHE  45  -0.051  -3.906  -3.906
  302   1HB   PHE  45           HB2      PHE  45   2.304  -3.842  -3.842
  303   2HB   PHE  45           HB1      PHE  45   1.807  -2.263  -2.263
  304    HD1  PHE  45           HD1      PHE  45   0.799  -0.659  -0.659
  305    HD2  PHE  45           HD2      PHE  45   3.510  -3.914  -3.914
  306    HE1  PHE  45           HE1      PHE  45   1.495   0.374   0.374
  307    HE2  PHE  45           HE2      PHE  45   4.209  -2.882  -2.882
  308    HZ   PHE  45           HZ       PHE  45   3.200  -0.736  -0.736
  309    H    TYR  46           HN       TYR  46   1.373  -5.687  -5.687
  310    HA   TYR  46           HA       TYR  46  -0.439  -6.480  -6.480
  311   1HB   TYR  46           HB2      TYR  46   1.625  -7.849  -7.849
  312   2HB   TYR  46           HB1      TYR  46   1.212  -8.549  -8.549
  313    HD1  TYR  46           HD1      TYR  46  -1.051  -9.374  -9.374
  314    HD2  TYR  46           HD2      TYR  46  -0.009  -7.742  -7.742
  315    HE1  TYR  46           HE1      TYR  46  -3.121 -10.333 -10.333
  316    HE2  TYR  46           HE2      TYR  46  -2.079  -8.701  -8.701
  317    HH   TYR  46           HH       TYR  46  -4.005  -9.735  -9.735
  318    HA   PRO  47           HA       PRO  47   2.578  -5.674  -5.674
  319   1HB   PRO  47           HB2      PRO  47   1.711  -7.544  -7.544
  320   2HB   PRO  47           HB1      PRO  47   0.910  -5.999  -5.999
  321   1HG   PRO  47           HG2      PRO  47  -0.060  -8.634  -8.634
  322   2HG   PRO  47           HG1      PRO  47  -0.860  -7.086  -7.086
  323   1HD   PRO  47           HD2      PRO  47   0.627  -8.831  -8.831
  324   2HD   PRO  47           HD1      PRO  47  -0.597  -7.590  -7.590
  325    H    ASN  48           HN       ASN  48   4.551  -6.445  -6.445
  326    HA   ASN  48           HA       ASN  48   5.308  -9.211  -9.211
  327   1HB   ASN  48           HB2      ASN  48   6.748  -6.608  -6.608
  328   2HB   ASN  48           HB1      ASN  48   7.701  -8.048  -8.048
  329   1HD2  ASN  48          HD22      ASN  48   7.665  -8.824  -8.824
  330   2HD2  ASN  48          HD21      ASN  48   8.588  -8.563  -8.563
  331    H    THR  49           HN       THR  49   5.073 -10.222 -10.222
  332    HA   THR  49           HA       THR  49   5.604  -9.012  -9.012
  333    HB   THR  49           HB       THR  49   5.877 -11.510 -11.510
  334    HG1  THR  49           HG1      THR  49   6.231 -11.940 -11.940
  335   1HG2  THR  49          HG22      THR  49   3.459 -10.139 -10.139
  336   2HG2  THR  49          HG21      THR  49   3.325 -11.812 -11.812
  337   3HG2  THR  49          HG23      THR  49   3.827 -10.559 -10.559
  338    H    ILE  50           HN       ILE  50   7.629  -8.000  -8.000
  339    HA   ILE  50           HA       ILE  50   9.951  -9.840  -9.840
  340    HB   ILE  50           HB       ILE  50   9.948  -6.948  -6.948
  341   1HG1  ILE  50          HG12      ILE  50  10.273  -9.409  -9.409
  342   2HG1  ILE  50          HG11      ILE  50   8.698  -8.660  -8.660
  343   1HG2  ILE  50          HG23      ILE  50  12.037  -9.147  -9.147
  344   2HG2  ILE  50          HG22      ILE  50  12.208  -7.601  -7.601
  345   3HG2  ILE  50          HG21      ILE  50  12.102  -7.650  -7.650
  346   1HD1  ILE  50          HD11      ILE  50  11.107  -7.119  -7.119
  347   2HD1  ILE  50          HD13      ILE  50   9.928  -7.863  -7.863
  348   3HD1  ILE  50          HD12      ILE  50   9.426  -6.585  -6.585
  349    H    ASP  51           HN       ASP  51  11.708  -9.203  -9.203
  350    HA   ASP  51           HA       ASP  51  10.816  -7.310  -7.310
  351   1HB   ASP  51           HB2      ASP  51  10.740  -9.897  -9.897
  352   2HB   ASP  51           HB1      ASP  51  12.486  -9.715  -9.715
  353    H    VAL  52           HN       VAL  52  12.545  -6.151  -6.151
  354    HA   VAL  52           HA       VAL  52  15.186  -6.403  -6.403
  355    HB   VAL  52           HB       VAL  52  15.351  -3.909  -3.909
  356   1HG1  VAL  52          HG13      VAL  52  14.634  -5.111  -5.111
  357   2HG1  VAL  52          HG12      VAL  52  12.956  -4.926  -4.926
  358   3HG1  VAL  52          HG11      VAL  52  13.925  -3.502  -3.502
  359   1HG2  VAL  52          HG23      VAL  52  13.456  -3.867  -3.867
  360   2HG2  VAL  52          HG22      VAL  52  13.523  -2.563  -2.563
  361   3HG2  VAL  52          HG21      VAL  52  12.367  -3.879  -3.879
  362    HA   PRO  53           HA       PRO  53  17.203  -6.769  -6.769
  363   1HB   PRO  53           HB2      PRO  53  18.854  -4.417  -4.417
  364   2HB   PRO  53           HB1      PRO  53  19.321  -6.122  -6.122
  365   1HG   PRO  53           HG2      PRO  53  18.806  -4.393  -4.393
  366   2HG   PRO  53           HG1      PRO  53  19.546  -6.003  -6.003
  367   1HD   PRO  53           HD2      PRO  53  17.074  -5.504  -5.504
  368   2HD   PRO  53           HD1      PRO  53  17.551  -7.073  -7.073
  369    HA   PRO  54           HA       PRO  54  16.720  -1.950  -1.950
  370   1HB   PRO  54           HB2      PRO  54  14.507  -1.229  -1.229
  371   2HB   PRO  54           HB1      PRO  54  15.965  -0.314  -0.314
  372   1HG   PRO  54           HG2      PRO  54  15.426  -1.865  -1.865
  373   2HG   PRO  54           HG1      PRO  54  16.843  -0.872  -0.872
  374   1HD   PRO  54           HD2      PRO  54  16.871  -3.623  -3.623
  375   2HD   PRO  54           HD1      PRO  54  18.074  -2.670  -2.670
  376    H    GLU  55           HN       GLU  55  14.948  -1.314  -1.314
  377    HA   GLU  55           HA       GLU  55  12.825  -3.385  -3.385
  378   1HB   GLU  55           HB2      GLU  55  14.397  -1.908  -1.908
  379   2HB   GLU  55           HB1      GLU  55  12.790  -2.526  -2.526
  380   1HG   GLU  55           HG2      GLU  55  14.909  -4.272  -4.272
  381   2HG   GLU  55           HG1      GLU  55  14.771  -4.092  -4.092
  382    H    GLU  56           HN       GLU  56  10.670  -2.676  -2.676
  383    HA   GLU  56           HA       GLU  56  10.269   0.224   0.224
  384   1HB   GLU  56           HB2      GLU  56   8.744  -2.243  -2.243
  385   2HB   GLU  56           HB1      GLU  56   7.842  -0.750  -0.750
  386   1HG   GLU  56           HG2      GLU  56   8.842   0.339   0.339
  387   2HG   GLU  56           HG1      GLU  56  10.295  -0.658  -0.658
  388    H    GLU  57           HN       GLU  57   9.720   1.360   1.360
  389    HA   GLU  57           HA       GLU  57   7.896   0.072   0.072
  390   1HB   GLU  57           HB2      GLU  57  10.394  -0.001  -0.001
  391   2HB   GLU  57           HB1      GLU  57  10.230   1.740   1.740
  392   1HG   GLU  57           HG2      GLU  57   8.732   1.500   1.500
  393   2HG   GLU  57           HG1      GLU  57   8.177  -0.081  -0.081
  394    H    SER  58           HN       SER  58   6.573   1.603   1.603
  395    HA   SER  58           HA       SER  58   6.048   4.026   4.026
  396   1HB   SER  58           HB2      SER  58   4.489   4.350   4.350
  397   2HB   SER  58           HB1      SER  58   4.089   3.156   3.156
  398    HG   SER  58           HG       SER  58   5.208   2.808   2.808
  399    H    GLU  59           HN       GLU  59   6.843   6.057   6.057
  400    HA   GLU  59           HA       GLU  59   7.948   6.599   6.599
  401   1HB   GLU  59           HB2      GLU  59   9.982   7.604   7.604
  402   2HB   GLU  59           HB1      GLU  59   9.879   5.864   5.864
  403   1HG   GLU  59           HG2      GLU  59   8.560   6.698   6.698
  404   2HG   GLU  59           HG1      GLU  59   9.600   8.100   8.100
  405    H    PHE  60           HN       PHE  60   8.070   8.906   8.906
  406    HA   PHE  60           HA       PHE  60   6.816  10.675  10.675
  407   1HB   PHE  60           HB2      PHE  60   5.185   9.643   9.643
  408   2HB   PHE  60           HB1      PHE  60   5.919  10.854  10.854
  409    HD1  PHE  60           HD2      PHE  60   5.746  13.268  13.268
  410    HD2  PHE  60           HD1      PHE  60   3.729  10.274  10.274
  411    HE1  PHE  60           HE2      PHE  60   4.315  15.021  15.021
  412    HE2  PHE  60           HE1      PHE  60   2.297  12.026  12.026
  413    HZ   PHE  60           HZ       PHE  60   2.590  14.400  14.400

  Start of MODEL   17
    1   1H    GLU   1           HT1      GLU   1  12.803 -15.694 -15.694
    2   2H    GLU   1           HT3      GLU   1  12.836 -17.229 -17.229
    3   3H    GLU   1           HT2      GLU   1  12.775 -17.088 -17.088
    4    HA   GLU   1           HA       GLU   1  10.614 -17.282 -17.282
    5   1HB   GLU   1           HB2      GLU   1  10.977 -16.708 -16.708
    6   2HB   GLU   1           HB1      GLU   1   9.461 -17.214 -17.214
    7   1HG   GLU   1           HG2      GLU   1  10.347 -19.339 -19.339
    8   2HG   GLU   1           HG1      GLU   1  12.004 -18.822 -18.822
    9    H    ALA   2           HN       ALA   2  12.005 -14.716 -14.716
   10    HA   ALA   2           HA       ALA   2  10.110 -12.741 -12.741
   11   1HB   ALA   2           HB1      ALA   2  12.699 -12.444 -12.444
   12   2HB   ALA   2           HB3      ALA   2  12.392 -12.111 -12.111
   13   3HB   ALA   2           HB2      ALA   2  11.663 -11.093 -11.093
   14    H    GLN   3           HN       GLN   3   8.195 -12.981 -12.981
   15    HA   GLN   3           HA       GLN   3   8.442 -12.398 -12.398
   16   1HB   GLN   3           HB2      GLN   3   6.800 -14.603 -14.603
   17   2HB   GLN   3           HB1      GLN   3   6.564 -14.042 -14.042
   18   1HG   GLN   3           HG2      GLN   3   9.294 -14.884 -14.884
   19   2HG   GLN   3           HG1      GLN   3   8.129 -16.081 -16.081
   20   1HE2  GLN   3          HE22      GLN   3   9.719 -13.411 -13.411
   21   2HE2  GLN   3          HE21      GLN   3   9.786 -13.062 -13.062
   22    H    THR   4           HN       THR   4   7.039 -10.787 -10.787
   23    HA   THR   4           HA       THR   4   4.600 -10.343 -10.343
   24    HB   THR   4           HB       THR   4   5.150  -7.854  -7.854
   25    HG1  THR   4           HG1      THR   4   7.831  -8.567  -8.567
   26   1HG2  THR   4          HG23      THR   4   5.565  -9.718  -9.718
   27   2HG2  THR   4          HG22      THR   4   7.237  -9.216  -9.216
   28   3HG2  THR   4          HG21      THR   4   6.024  -8.032  -8.032
   29    H    GLU   5           HN       GLU   5   3.433  -8.286  -8.286
   30    HA   GLU   5           HA       GLU   5   3.497  -8.942  -8.942
   31   1HB   GLU   5           HB2      GLU   5   1.307  -8.132  -8.132
   32   2HB   GLU   5           HB1      GLU   5   1.146  -7.787  -7.787
   33   1HG   GLU   5           HG2      GLU   5   1.190 -10.063 -10.063
   34   2HG   GLU   5           HG1      GLU   5   1.925 -10.540 -10.540
   35    H    THR   6           HN       THR   6   4.167  -7.334  -7.334
   36    HA   THR   6           HA       THR   6   3.740  -4.534  -4.534
   37    HB   THR   6           HB       THR   6   6.504  -5.205  -5.205
   38    HG1  THR   6           HG1      THR   6   7.102  -5.620  -5.620
   39   1HG2  THR   6          HG21      THR   6   5.377  -2.886  -2.886
   40   2HG2  THR   6          HG23      THR   6   5.714  -3.323  -3.323
   41   3HG2  THR   6          HG22      THR   6   7.036  -3.190  -3.190
   42    H    CYS   7           HN       CYS   7   3.613  -3.172  -3.172
   43    HA   CYS   7           HA       CYS   7   3.731  -4.600  -4.600
   44   1HB   CYS   7           HB2      CYS   7   2.260  -2.068  -2.068
   45   2HB   CYS   7           HB1      CYS   7   2.232  -2.807  -2.807
   46    H    THR   8           HN       THR   8   5.955  -3.133  -3.133
   47    HA   THR   8           HA       THR   8   6.576  -0.869  -0.869
   48    HB   THR   8           HB       THR   8   7.197  -0.741  -0.741
   49    HG1  THR   8           HG1      THR   8   9.463  -0.382  -0.382
   50   1HG2  THR   8          HG21      THR   8   7.546  -3.369  -3.369
   51   2HG2  THR   8          HG23      THR   8   9.220  -2.924  -2.924
   52   3HG2  THR   8          HG22      THR   8   8.424  -2.344  -2.344
   53    H    VAL   9           HN       VAL   9   6.903  -1.693  -1.693
   54    HA   VAL   9           HA       VAL   9   9.231  -3.520  -3.520
   55    HB   VAL   9           HB       VAL   9   6.851  -3.295  -3.295
   56   1HG1  VAL   9          HG13      VAL   9   9.450  -4.755  -4.755
   57   2HG1  VAL   9          HG12      VAL   9   8.032  -5.642  -5.642
   58   3HG1  VAL   9          HG11      VAL   9   8.495  -4.132  -4.132
   59   1HG2  VAL   9          HG22      VAL   9   6.339  -4.314  -4.314
   60   2HG2  VAL   9          HG21      VAL   9   6.131  -5.430  -5.430
   61   3HG2  VAL   9          HG23      VAL   9   7.568  -5.535  -5.535
   62    H    ALA  10           HN       ALA  10  10.609  -3.085  -3.085
   63    HA   ALA  10           HA       ALA  10  10.793  -0.242  -0.242
   64   1HB   ALA  10           HB3      ALA  10  12.414  -2.612  -2.612
   65   2HB   ALA  10           HB2      ALA  10  12.796  -0.930  -0.930
   66   3HB   ALA  10           HB1      ALA  10  12.848  -1.497  -1.497
   67    HA   PRO  11           HA       PRO  11   8.219   0.261   0.261
   68   1HB   PRO  11           HB2      PRO  11  10.559   1.394   1.394
   69   2HB   PRO  11           HB1      PRO  11   9.015   2.157   2.157
   70   1HG   PRO  11           HG2      PRO  11  11.522   2.384   2.384
   71   2HG   PRO  11           HG1      PRO  11   9.985   3.176   3.176
   72   1HD   PRO  11           HD2      PRO  11  11.202   1.255   1.255
   73   2HD   PRO  11           HD1      PRO  11   9.477   1.668   1.668
   74    H    ARG  12           HN       ARG  12  11.537  -1.025  -1.025
   75    HA   ARG  12           HA       ARG  12  11.010  -2.190  -2.190
   76   1HB   ARG  12           HB2      ARG  12  13.216  -2.389  -2.389
   77   2HB   ARG  12           HB1      ARG  12  13.158  -3.521  -3.521
   78   1HG   ARG  12           HG2      ARG  12  13.458  -1.840  -1.840
   79   2HG   ARG  12           HG1      ARG  12  12.880  -0.573  -0.573
   80   1HD   ARG  12           HD2      ARG  12  15.126  -0.145  -0.145
   81   2HD   ARG  12           HD1      ARG  12  15.015  -1.403  -1.403
   82    HE   ARG  12           HE       ARG  12  15.524  -2.415  -2.415
   83   1HH1  ARG  12          HH11      ARG  12  16.894  -1.171  -1.171
   84   2HH1  ARG  12          HH12      ARG  12  18.432  -1.932  -1.932
   85   1HH2  ARG  12          HH21      ARG  12  17.547  -3.402  -3.402
   86   2HH2  ARG  12          HH22      ARG  12  18.799  -3.188  -3.188
   87    H    GLU  13           HN       GLU  13  11.324  -3.541  -3.541
   88    HA   GLU  13           HA       GLU  13  10.440  -6.153  -6.153
   89   1HB   GLU  13           HB2      GLU  13  11.161  -4.952  -4.952
   90   2HB   GLU  13           HB1      GLU  13  10.399  -6.540  -6.540
   91   1HG   GLU  13           HG2      GLU  13  12.720  -6.029  -6.029
   92   2HG   GLU  13           HG1      GLU  13  13.062  -6.246  -6.246
   93    H    ARG  14           HN       ARG  14   8.617  -3.762  -3.762
   94    HA   ARG  14           HA       ARG  14   6.423  -4.526  -4.526
   95   1HB   ARG  14           HB2      ARG  14   7.036  -2.108  -2.108
   96   2HB   ARG  14           HB1      ARG  14   5.358  -2.462  -2.462
   97   1HG   ARG  14           HG2      ARG  14   6.218  -2.716  -2.716
   98   2HG   ARG  14           HG1      ARG  14   7.665  -1.886  -1.886
   99   1HD   ARG  14           HD2      ARG  14   5.904  -0.184  -0.184
  100   2HD   ARG  14           HD1      ARG  14   4.863  -0.855  -0.855
  101    HE   ARG  14           HE       ARG  14   7.302  -0.234  -0.234
  102   1HH1  ARG  14          HH11      ARG  14   4.719   1.399   1.399
  103   2HH1  ARG  14          HH12      ARG  14   4.928   2.889   2.889
  104   1HH2  ARG  14          HH21      ARG  14   7.559   1.729   1.729
  105   2HH2  ARG  14          HH22      ARG  14   6.530   3.075   3.075
  106    H    GLN  15           HN       GLN  15   4.409  -5.262  -5.262
  107    HA   GLN  15           HA       GLN  15   4.459  -5.982  -5.982
  108   1HB   GLN  15           HB2      GLN  15   3.108  -7.491  -7.491
  109   2HB   GLN  15           HB1      GLN  15   3.201  -7.988  -7.988
  110   1HG   GLN  15           HG2      GLN  15   5.822  -7.667  -7.667
  111   2HG   GLN  15           HG1      GLN  15   5.305  -8.040  -8.040
  112   1HE2  GLN  15          HE22      GLN  15   5.958 -11.180 -11.180
  113   2HE2  GLN  15          HE21      GLN  15   6.847  -9.738  -9.738
  114    H    ASN  16           HN       ASN  16   2.350  -5.937  -5.937
  115    HA   ASN  16           HA       ASN  16   0.664  -3.796  -3.796
  116   1HB   ASN  16           HB2      ASN  16   1.297  -4.353  -4.353
  117   2HB   ASN  16           HB1      ASN  16   0.000  -5.542  -5.542
  118   1HD2  ASN  16          HD22      ASN  16  -0.942  -1.544  -1.544
  119   2HD2  ASN  16          HD21      ASN  16   0.648  -2.035  -2.035
  120    H    CYS  17           HN       CYS  17  -1.107  -4.109  -4.109
  121    HA   CYS  17           HA       CYS  17  -2.070  -6.873  -6.873
  122   1HB   CYS  17           HB2      CYS  17  -1.424  -5.097  -5.097
  123   2HB   CYS  17           HB1      CYS  17  -3.090  -4.585  -4.585
  124    H    GLY  18           HN       GLY  18  -2.968  -3.768  -3.768
  125   1HA   GLY  18           HA2      GLY  18  -5.292  -4.889  -4.889
  126   2HA   GLY  18           HA1      GLY  18  -5.723  -3.773  -3.773
  127    H    PHE  19           HN       PHE  19  -6.588  -2.810  -2.810
  128    HA   PHE  19           HA       PHE  19  -4.640  -1.444  -1.444
  129   1HB   PHE  19           HB2      PHE  19  -6.668  -0.082  -0.082
  130   2HB   PHE  19           HB1      PHE  19  -6.737  -1.819  -1.819
  131    HD1  PHE  19           HD2      PHE  19  -8.036  -3.283  -3.283
  132    HD2  PHE  19           HD1      PHE  19  -8.292   1.008   1.008
  133    HE1  PHE  19           HE2      PHE  19 -10.163  -3.415  -3.415
  134    HE2  PHE  19           HE1      PHE  19 -10.427   0.870   0.870
  135    HZ   PHE  19           HZ       PHE  19 -11.359  -1.340  -1.340
  136    HA   PRO  20           HA       PRO  20  -3.942   2.186   2.186
  137   1HB   PRO  20           HB2      PRO  20  -3.726   4.097   4.097
  138   2HB   PRO  20           HB1      PRO  20  -2.447   2.995   2.995
  139   1HG   PRO  20           HG2      PRO  20  -3.846   3.024   3.024
  140   2HG   PRO  20           HG1      PRO  20  -2.550   1.937   1.937
  141   1HD   PRO  20           HD2      PRO  20  -5.440   1.444   1.444
  142   2HD   PRO  20           HD1      PRO  20  -4.106   0.283   0.283
  143    H    GLY  21           HN       GLY  21  -6.594   2.462   2.462
  144   1HA   GLY  21           HA2      GLY  21  -7.682   4.925   4.925
  145   2HA   GLY  21           HA1      GLY  21  -8.625   3.567   3.567
  146    H    VAL  22           HN       VAL  22  -7.388   2.025   2.025
  147    HA   VAL  22           HA       VAL  22  -9.681   2.252   2.252
  148    HB   VAL  22           HB       VAL  22  -8.301   0.965   0.965
  149   1HG1  VAL  22          HG13      VAL  22  -9.532  -0.063  -0.063
  150   2HG1  VAL  22          HG12      VAL  22  -7.962  -0.143  -0.143
  151   3HG1  VAL  22          HG11      VAL  22  -8.235  -1.033  -1.033
  152   1HG2  VAL  22          HG21      VAL  22  -6.168   1.638   1.638
  153   2HG2  VAL  22          HG23      VAL  22  -6.101   1.755   1.755
  154   3HG2  VAL  22          HG22      VAL  22  -6.043   0.175   0.175
  155    H    THR  23           HN       THR  23  -9.881   3.221   3.221
  156    HA   THR  23           HA       THR  23  -8.120   5.566   5.566
  157    HB   THR  23           HB       THR  23  -9.884   6.445   6.445
  158    HG1  THR  23           HG1      THR  23 -11.775   4.618   4.618
  159   1HG2  THR  23          HG23      THR  23 -10.021   6.441   6.441
  160   2HG2  THR  23          HG22      THR  23 -11.337   5.292   5.292
  161   3HG2  THR  23          HG21      THR  23 -11.443   6.914   6.914
  162    HA   PRO  24           HA       PRO  24  -5.672   4.398   4.398
  163   1HB   PRO  24           HB2      PRO  24  -7.243   6.127   6.127
  164   2HB   PRO  24           HB1      PRO  24  -5.530   6.210   6.210
  165   1HG   PRO  24           HG2      PRO  24  -7.704   7.750   7.750
  166   2HG   PRO  24           HG1      PRO  24  -5.981   7.865   7.865
  167   1HD   PRO  24           HD2      PRO  24  -7.924   7.002   7.002
  168   2HD   PRO  24           HD1      PRO  24  -6.200   6.599   6.599
  169    H    SER  25           HN       SER  25  -9.072   4.920   4.920
  170    HA   SER  25           HA       SER  25  -8.839   2.721   2.721
  171   1HB   SER  25           HB2      SER  25 -11.167   4.459   4.459
  172   2HB   SER  25           HB1      SER  25 -11.273   3.217   3.217
  173    HG   SER  25           HG       SER  25 -10.556   5.658   5.658
  174    H    GLN  26           HN       GLN  26 -10.077   3.161   3.161
  175    HA   GLN  26           HA       GLN  26 -11.809   0.930   0.930
  176   1HB   GLN  26           HB2      GLN  26 -10.345   2.608   2.608
  177   2HB   GLN  26           HB1      GLN  26 -10.885   1.027   1.027
  178   1HG   GLN  26           HG2      GLN  26 -13.178   1.571   1.571
  179   2HG   GLN  26           HG1      GLN  26 -12.606   3.201   3.201
  180   1HE2  GLN  26          HE22      GLN  26 -12.623   2.145   2.145
  181   2HE2  GLN  26          HE21      GLN  26 -12.116   1.006   1.006
  182    H    CYS  27           HN       CYS  27  -8.353   1.160   1.160
  183    HA   CYS  27           HA       CYS  27  -8.200  -1.701  -1.701
  184   1HB   CYS  27           HB2      CYS  27  -6.745   0.471   0.471
  185   2HB   CYS  27           HB1      CYS  27  -5.654  -0.250  -0.250
  186    H    ALA  28           HN       ALA  28  -7.540   0.559   0.559
  187    HA   ALA  28           HA       ALA  28  -5.961  -1.363  -1.363
  188   1HB   ALA  28           HB3      ALA  28  -5.583   1.061   1.061
  189   2HB   ALA  28           HB2      ALA  28  -7.228   1.255   1.255
  190   3HB   ALA  28           HB1      ALA  28  -6.048   0.333   0.333
  191    H    ASN  29           HN       ASN  29  -9.255  -1.081  -1.081
  192    HA   ASN  29           HA       ASN  29 -10.014  -2.221  -2.221
  193   1HB   ASN  29           HB2      ASN  29 -11.268  -0.211  -0.211
  194   2HB   ASN  29           HB1      ASN  29 -11.785  -1.100  -1.100
  195   1HD2  ASN  29          HD22      ASN  29 -14.633  -1.915  -1.915
  196   2HD2  ASN  29          HD21      ASN  29 -14.056  -0.946  -0.946
  197    H    LYS  30           HN       LYS  30  -9.162  -3.196  -3.196
  198    HA   LYS  30           HA       LYS  30 -11.097  -5.394  -5.394
  199   1HB   LYS  30           HB2      LYS  30  -9.572  -3.948  -3.948
  200   2HB   LYS  30           HB1      LYS  30  -8.890  -5.573  -5.573
  201   1HG   LYS  30           HG2      LYS  30 -11.146  -6.522  -6.522
  202   2HG   LYS  30           HG1      LYS  30 -11.826  -4.896  -4.896
  203   1HD   LYS  30           HD2      LYS  30 -10.292  -4.359  -4.359
  204   2HD   LYS  30           HD1      LYS  30  -9.885  -6.075  -6.075
  205   1HE   LYS  30           HE2      LYS  30 -12.603  -6.215  -6.215
  206   2HE   LYS  30           HE1      LYS  30 -12.377  -4.692  -4.692
  207   1HZ   LYS  30           HZ1      LYS  30 -10.998  -7.201  -7.201
  208   2HZ   LYS  30           HZ3      LYS  30 -12.431  -6.675  -6.675
  209   3HZ   LYS  30           HZ2      LYS  30 -11.012  -5.751  -5.751
  210    H    GLY  31           HN       GLY  31  -7.553  -4.931  -4.931
  211   1HA   GLY  31           HA2      GLY  31  -6.940  -6.645  -6.645
  212   2HA   GLY  31           HA1      GLY  31  -7.229  -7.773  -7.773
  213    H    CYS  32           HN       CYS  32  -6.001  -4.652  -4.652
  214    HA   CYS  32           HA       CYS  32  -3.307  -5.852  -5.852
  215   1HB   CYS  32           HB2      CYS  32  -4.792  -3.858  -3.858
  216   2HB   CYS  32           HB1      CYS  32  -3.116  -4.350  -4.350
  217    H    CYS  33           HN       CYS  33  -1.500  -4.449  -4.449
  218    HA   CYS  33           HA       CYS  33  -2.032  -2.388  -2.388
  219   1HB   CYS  33           HB2      CYS  33   0.589  -3.088  -3.088
  220   2HB   CYS  33           HB1      CYS  33   0.385  -2.186  -2.186
  221    H    PHE  34           HN       PHE  34  -2.677  -0.366  -0.366
  222    HA   PHE  34           HA       PHE  34  -2.051   0.578   0.578
  223   1HB   PHE  34           HB2      PHE  34  -4.333   0.852   0.852
  224   2HB   PHE  34           HB1      PHE  34  -3.629   1.938   1.938
  225    HD1  PHE  34           HD1      PHE  34  -2.624   4.101   4.101
  226    HD2  PHE  34           HD2      PHE  34  -4.669   1.550   1.550
  227    HE1  PHE  34           HE1      PHE  34  -2.786   5.986   5.986
  228    HE2  PHE  34           HE2      PHE  34  -4.830   3.435   3.435
  229    HZ   PHE  34           HZ       PHE  34  -3.891   5.652   5.652
  230    H    ASP  35           HN       ASP  35  -0.941   2.602   2.602
  231    HA   ASP  35           HA       ASP  35   0.256   4.071   4.071
  232   1HB   ASP  35           HB2      ASP  35   1.699   2.025   2.025
  233   2HB   ASP  35           HB1      ASP  35   2.095   2.413   2.413
  234    H    ASP  36           HN       ASP  36   0.167   6.133   6.133
  235    HA   ASP  36           HA       ASP  36   0.730   6.497   6.497
  236   1HB   ASP  36           HB2      ASP  36  -0.790   8.475   8.475
  237   2HB   ASP  36           HB1      ASP  36  -1.619   6.955   6.955
  238    H    THR  37           HN       THR  37   2.924   6.507   6.507
  239    HA   THR  37           HA       THR  37   3.418   9.323   9.323
  240    HB   THR  37           HB       THR  37   5.647   8.145   8.145
  241    HG1  THR  37           HG1      THR  37   4.263   6.136   6.136
  242   1HG2  THR  37          HG21      THR  37   2.922   8.282   8.282
  243   2HG2  THR  37          HG23      THR  37   4.139   7.343   7.343
  244   3HG2  THR  37          HG22      THR  37   4.420   9.050   9.050
  245    H    VAL  38           HN       VAL  38   4.048   7.053   7.053
  246    HA   VAL  38           HA       VAL  38   6.076   8.920   8.920
  247    HB   VAL  38           HB       VAL  38   6.084   5.904   5.904
  248   1HG1  VAL  38          HG13      VAL  38   7.713   8.168   8.168
  249   2HG1  VAL  38          HG12      VAL  38   8.536   6.654   6.654
  250   3HG1  VAL  38          HG11      VAL  38   7.211   6.674   6.674
  251   1HG2  VAL  38          HG22      VAL  38   7.520   7.774   7.774
  252   2HG2  VAL  38          HG21      VAL  38   6.751   6.227   6.227
  253   3HG2  VAL  38          HG23      VAL  38   8.288   6.271   6.271
  254    H    ARG  39           HN       ARG  39   6.170   8.864   8.864
  255    HA   ARG  39           HA       ARG  39   3.505   8.188   8.188
  256   1HB   ARG  39           HB2      ARG  39   5.511  10.342  10.342
  257   2HB   ARG  39           HB1      ARG  39   4.180   9.909   9.909
  258   1HG   ARG  39           HG2      ARG  39   2.602  10.314  10.314
  259   2HG   ARG  39           HG1      ARG  39   3.972  10.949  10.949
  260   1HD   ARG  39           HD2      ARG  39   4.351  12.651  12.651
  261   2HD   ARG  39           HD1      ARG  39   2.989  12.016  12.016
  262    HE   ARG  39           HE       ARG  39   1.512  12.944  12.944
  263   1HH1  ARG  39          HH21      ARG  39   4.868  13.343  13.343
  264   2HH1  ARG  39          HH22      ARG  39   4.547  14.514  14.514
  265   1HH2  ARG  39          HH11      ARG  39   1.115  14.480  14.480
  266   2HH2  ARG  39          HH12      ARG  39   2.431  15.155  15.155
  267    H    GLY  40           HN       GLY  40   3.610   7.624   7.624
  268   1HA   GLY  40           HA2      GLY  40   4.572   6.479   6.479
  269   2HA   GLY  40           HA1      GLY  40   6.132   6.569   6.569
  270    H    VAL  41           HN       VAL  41   5.424   5.387   5.387
  271    HA   VAL  41           HA       VAL  41   5.395   2.589   2.589
  272    HB   VAL  41           HB       VAL  41   5.667   2.218   2.218
  273   1HG1  VAL  41          HG11      VAL  41   7.438   4.066   4.066
  274   2HG1  VAL  41          HG13      VAL  41   7.827   3.734   3.734
  275   3HG1  VAL  41          HG12      VAL  41   7.741   2.410   2.410
  276   1HG2  VAL  41          HG22      VAL  41   4.317   4.220   4.220
  277   2HG2  VAL  41          HG21      VAL  41   5.888   4.143   4.143
  278   3HG2  VAL  41          HG23      VAL  41   5.639   5.249   5.249
  279    HA   PRO  42           HA       PRO  42   1.110   1.825   1.825
  280   1HB   PRO  42           HB2      PRO  42   1.330  -0.742  -0.742
  281   2HB   PRO  42           HB1      PRO  42   1.295  -0.344  -0.344
  282   1HG   PRO  42           HG2      PRO  42   3.469  -1.402  -1.402
  283   2HG   PRO  42           HG1      PRO  42   3.434  -0.982  -0.982
  284   1HD   PRO  42           HD2      PRO  42   4.550   0.536   0.536
  285   2HD   PRO  42           HD1      PRO  42   4.900   0.677   0.677
  286    H    TRP  43           HN       TRP  43  -0.154   2.565   2.565
  287    HA   TRP  43           HA       TRP  43   0.960   2.779   2.779
  288   1HB   TRP  43           HB2      TRP  43  -1.875   3.282   3.282
  289   2HB   TRP  43           HB1      TRP  43  -1.183   3.821   3.821
  290    HD1  TRP  43           HD1      TRP  43   1.691   4.640   4.640
  291    HE1  TRP  43           HE1      TRP  43   1.743   6.888   6.888
  292    HE3  TRP  43           HE3      TRP  43  -3.315   5.388   5.388
  293    HZ2  TRP  43           HZ2      TRP  43  -0.092   8.758   8.758
  294    HZ3  TRP  43           HZ3      TRP  43  -4.135   7.410   7.410
  295    HH2  TRP  43           HH2      TRP  43  -2.530   9.095   9.095
  296    H    CYS  44           HN       CYS  44  -1.476   0.691   0.691
  297    HA   CYS  44           HA       CYS  44  -1.999  -0.664  -0.664
  298   1HB   CYS  44           HB2      CYS  44  -3.737  -0.149  -0.149
  299   2HB   CYS  44           HB1      CYS  44  -3.028  -1.533  -1.533
  300    H    PHE  45           HN       PHE  45  -0.519  -2.197  -2.197
  301    HA   PHE  45           HA       PHE  45   0.415  -4.101  -4.101
  302   1HB   PHE  45           HB2      PHE  45   2.719  -3.973  -3.973
  303   2HB   PHE  45           HB1      PHE  45   2.190  -2.389  -2.389
  304    HD1  PHE  45           HD2      PHE  45   1.022  -0.896  -0.896
  305    HD2  PHE  45           HD1      PHE  45   3.774  -4.107  -4.107
  306    HE1  PHE  45           HE2      PHE  45   1.538   0.057   0.057
  307    HE2  PHE  45           HE1      PHE  45   4.293  -3.154  -3.154
  308    HZ   PHE  45           HZ       PHE  45   3.174  -1.072  -1.072
  309    H    TYR  46           HN       TYR  46   1.578  -6.021  -6.021
  310    HA   TYR  46           HA       TYR  46  -0.212  -7.001  -7.001
  311   1HB   TYR  46           HB2      TYR  46   2.219  -8.109  -8.109
  312   2HB   TYR  46           HB1      TYR  46   1.445  -8.977  -8.977
  313    HD1  TYR  46           HD2      TYR  46   1.067  -7.760  -7.760
  314    HD2  TYR  46           HD1      TYR  46  -0.805  -9.902  -9.902
  315    HE1  TYR  46           HE2      TYR  46  -0.657  -8.608  -8.608
  316    HE2  TYR  46           HE1      TYR  46  -2.529 -10.750 -10.750
  317    HH   TYR  46           HH       TYR  46  -2.495  -9.824  -9.824
  318    HA   PRO  47           HA       PRO  47   2.389  -6.165  -6.165
  319   1HB   PRO  47           HB2      PRO  47   1.750  -8.400  -8.400
  320   2HB   PRO  47           HB1      PRO  47   0.765  -6.938  -6.938
  321   1HG   PRO  47           HG2      PRO  47   0.141  -9.553  -9.553
  322   2HG   PRO  47           HG1      PRO  47  -0.803  -8.071  -8.071
  323   1HD   PRO  47           HD2      PRO  47   1.017  -9.432  -9.432
  324   2HD   PRO  47           HD1      PRO  47  -0.338  -8.329  -8.329
  325    H    ASN  48           HN       ASN  48   4.071  -7.239  -7.239
  326    HA   ASN  48           HA       ASN  48   5.479  -9.516  -9.516
  327   1HB   ASN  48           HB2      ASN  48   6.430  -6.700  -6.700
  328   2HB   ASN  48           HB1      ASN  48   7.615  -7.920  -7.920
  329   1HD2  ASN  48          HD22      ASN  48   8.114  -8.939  -8.939
  330   2HD2  ASN  48          HD21      ASN  48   8.708  -8.836  -8.836
  331    H    THR  49           HN       THR  49   5.469 -10.832 -10.832
  332    HA   THR  49           HA       THR  49   5.689  -9.741  -9.741
  333    HB   THR  49           HB       THR  49   5.828 -12.192 -12.192
  334    HG1  THR  49           HG1      THR  49   6.699 -12.608 -12.608
  335   1HG2  THR  49          HG23      THR  49   3.624 -10.896 -10.896
  336   2HG2  THR  49          HG22      THR  49   3.475 -12.624 -12.624
  337   3HG2  THR  49          HG21      THR  49   3.643 -11.489 -11.489
  338    H    ILE  50           HN       ILE  50   7.761  -8.600  -8.600
  339    HA   ILE  50           HA       ILE  50  10.128 -10.319 -10.319
  340    HB   ILE  50           HB       ILE  50   9.964  -7.318  -7.318
  341   1HG1  ILE  50          HG12      ILE  50  10.434  -8.780  -8.780
  342   2HG1  ILE  50          HG11      ILE  50   8.818  -8.299  -8.299
  343   1HG2  ILE  50          HG21      ILE  50  12.148  -9.288  -9.288
  344   2HG2  ILE  50          HG23      ILE  50  12.258  -7.757  -7.757
  345   3HG2  ILE  50          HG22      ILE  50  12.178  -7.769  -7.769
  346   1HD1  ILE  50          HD11      ILE  50  11.041  -6.278  -6.278
  347   2HD1  ILE  50          HD13      ILE  50  10.225  -6.669  -6.669
  348   3HD1  ILE  50          HD12      ILE  50   9.304  -6.019  -6.019
  349    H    ASP  51           HN       ASP  51  11.971  -9.877  -9.877
  350    HA   ASP  51           HA       ASP  51  10.937 -10.354 -10.354
  351   1HB   ASP  51           HB2      ASP  51  13.361 -10.390 -10.390
  352   2HB   ASP  51           HB1      ASP  51  12.978 -11.475 -11.475
  353    H    VAL  52           HN       VAL  52  12.325  -9.006  -9.006
  354    HA   VAL  52           HA       VAL  52  12.390  -6.160  -6.160
  355    HB   VAL  52           HB       VAL  52  10.917  -5.601  -5.601
  356   1HG1  VAL  52          HG13      VAL  52  10.090  -5.727  -5.727
  357   2HG1  VAL  52          HG12      VAL  52   9.581  -7.386  -7.386
  358   3HG1  VAL  52          HG11      VAL  52   8.841  -6.052  -6.052
  359   1HG2  VAL  52          HG23      VAL  52  10.876  -8.579  -8.579
  360   2HG2  VAL  52          HG22      VAL  52  10.770  -7.381  -7.381
  361   3HG2  VAL  52          HG21      VAL  52   9.352  -7.746  -7.746
  362    HA   PRO  53           HA       PRO  53  16.080  -7.202  -7.202
  363   1HB   PRO  53           HB2      PRO  53  16.832  -4.432  -4.432
  364   2HB   PRO  53           HB1      PRO  53  17.581  -5.846  -5.846
  365   1HG   PRO  53           HG2      PRO  53  15.833  -3.868  -3.868
  366   2HG   PRO  53           HG1      PRO  53  16.782  -5.134  -5.134
  367   1HD   PRO  53           HD2      PRO  53  14.015  -5.105  -5.105
  368   2HD   PRO  53           HD1      PRO  53  14.999  -6.534  -6.534
  369    HA   PRO  54           HA       PRO  54  15.033  -5.169  -5.169
  370   1HB   PRO  54           HB2      PRO  54  17.572  -4.706  -4.706
  371   2HB   PRO  54           HB1      PRO  54  16.706  -6.250  -6.250
  372   1HG   PRO  54           HG2      PRO  54  19.086  -5.623  -5.623
  373   2HG   PRO  54           HG1      PRO  54  18.174  -7.141  -7.141
  374   1HD   PRO  54           HD2      PRO  54  18.174  -4.936  -4.936
  375   2HD   PRO  54           HD1      PRO  54  17.740  -6.645  -6.645
  376    H    GLU  55           HN       GLU  55  15.026  -3.240  -3.240
  377    HA   GLU  55           HA       GLU  55  16.241  -0.875  -0.875
  378   1HB   GLU  55           HB2      GLU  55  15.395  -1.237  -1.237
  379   2HB   GLU  55           HB1      GLU  55  16.159   0.199   0.199
  380   1HG   GLU  55           HG2      GLU  55  18.208  -0.921  -0.921
  381   2HG   GLU  55           HG1      GLU  55  17.467  -2.511  -2.511
  382    H    GLU  56           HN       GLU  56  14.751   0.354   0.354
  383    HA   GLU  56           HA       GLU  56  12.012   0.479   0.479
  384   1HB   GLU  56           HB2      GLU  56  12.785   0.441   0.441
  385   2HB   GLU  56           HB1      GLU  56  11.146   0.587   0.587
  386   1HG   GLU  56           HG2      GLU  56  11.326  -1.618  -1.618
  387   2HG   GLU  56           HG1      GLU  56  12.995  -1.764  -1.764
  388    H    GLU  57           HN       GLU  57  11.180   2.547   2.547
  389    HA   GLU  57           HA       GLU  57  12.426   4.751   4.751
  390   1HB   GLU  57           HB2      GLU  57  12.306   4.666   4.666
  391   2HB   GLU  57           HB1      GLU  57  12.824   6.046   6.046
  392   1HG   GLU  57           HG2      GLU  57  14.567   4.475   4.475
  393   2HG   GLU  57           HG1      GLU  57  14.176   3.358   3.358
  394    H    SER  58           HN       SER  58  10.607   5.633   5.633
  395    HA   SER  58           HA       SER  58   8.047   5.513   5.513
  396   1HB   SER  58           HB2      SER  58   7.178   6.587   6.587
  397   2HB   SER  58           HB1      SER  58   8.274   5.293   5.293
  398    HG   SER  58           HG       SER  58   8.426   7.935   7.935
  399    H    GLU  59           HN       GLU  59   7.720   6.914   6.914
  400    HA   GLU  59           HA       GLU  59   8.315   9.766   9.766
  401   1HB   GLU  59           HB2      GLU  59  10.080   8.457   8.457
  402   2HB   GLU  59           HB1      GLU  59   8.847   8.598   8.598
  403   1HG   GLU  59           HG2      GLU  59   8.891  10.968  10.968
  404   2HG   GLU  59           HG1      GLU  59   9.745  10.990  10.990
  405    H    PHE  60           HN       PHE  60   7.166  11.145  11.145
  406    HA   PHE  60           HA       PHE  60   4.428  10.195  10.195
  407   1HB   PHE  60           HB2      PHE  60   5.845  12.754  12.754
  408   2HB   PHE  60           HB1      PHE  60   4.161  12.464  12.464
  409    HD1  PHE  60           HD1      PHE  60   2.646  11.542  11.542
  410    HD2  PHE  60           HD2      PHE  60   6.281  13.774  13.774
  411    HE1  PHE  60           HE1      PHE  60   1.932  12.193  12.193
  412    HE2  PHE  60           HE2      PHE  60   5.568  14.425  14.425
  413    HZ   PHE  60           HZ       PHE  60   3.393  13.634  13.634

  Start of MODEL   18
    1   1H    GLU   1           HT1      GLU   1  15.334  -7.790  -7.790
    2   2H    GLU   1           HT3      GLU   1  15.503  -8.353  -8.353
    3   3H    GLU   1           HT2      GLU   1  16.351  -9.110  -9.110
    4    HA   GLU   1           HA       GLU   1  14.421 -10.004 -10.004
    5   1HB   GLU   1           HB2      GLU   1  15.393 -10.960 -10.960
    6   2HB   GLU   1           HB1      GLU   1  13.968 -10.250 -10.250
    7   1HG   GLU   1           HG2      GLU   1  12.620 -11.473 -11.473
    8   2HG   GLU   1           HG1      GLU   1  14.090 -12.415 -12.415
    9    H    ALA   2           HN       ALA   2  13.096  -8.250  -8.250
   10    HA   ALA   2           HA       ALA   2  10.958  -7.374  -7.374
   11   1HB   ALA   2           HB3      ALA   2  12.328  -6.026  -6.026
   12   2HB   ALA   2           HB2      ALA   2  10.673  -5.576  -5.576
   13   3HB   ALA   2           HB1      ALA   2  11.964  -5.389  -5.389
   14    H    GLN   3           HN       GLN   3   8.816  -7.758  -7.758
   15    HA   GLN   3           HA       GLN   3   8.422  -9.111  -9.111
   16   1HB   GLN   3           HB2      GLN   3   7.057  -9.679  -9.679
   17   2HB   GLN   3           HB1      GLN   3   6.650 -10.445 -10.445
   18   1HG   GLN   3           HG2      GLN   3   8.131 -12.018 -12.018
   19   2HG   GLN   3           HG1      GLN   3   9.275 -10.950 -10.950
   20   1HE2  GLN   3          HE22      GLN   3   9.254 -11.157 -11.157
   21   2HE2  GLN   3          HE21      GLN   3   8.040 -11.926 -11.926
   22    H    THR   4           HN       THR   4   7.368  -7.605  -7.605
   23    HA   THR   4           HA       THR   4   4.815  -6.571  -6.571
   24    HB   THR   4           HB       THR   4   5.469  -4.212  -4.212
   25    HG1  THR   4           HG1      THR   4   7.891  -4.016  -4.016
   26   1HG2  THR   4          HG22      THR   4   5.409  -5.126  -5.126
   27   2HG2  THR   4          HG21      THR   4   7.153  -5.359  -5.359
   28   3HG2  THR   4          HG23      THR   4   6.470  -3.737  -3.737
   29    H    GLU   5           HN       GLU   5   3.594  -5.503  -5.503
   30    HA   GLU   5           HA       GLU   5   3.898  -6.957  -6.957
   31   1HB   GLU   5           HB2      GLU   5   2.276  -4.471  -4.471
   32   2HB   GLU   5           HB1      GLU   5   2.108  -5.442  -5.442
   33   1HG   GLU   5           HG2      GLU   5   1.315  -7.327  -7.327
   34   2HG   GLU   5           HG1      GLU   5   1.843  -6.654  -6.654
   35    H    THR   6           HN       THR   6   4.397  -6.008  -6.008
   36    HA   THR   6           HA       THR   6   5.802  -3.433  -3.433
   37    HB   THR   6           HB       THR   6   7.194  -5.882  -5.882
   38    HG1  THR   6           HG1      THR   6   8.306  -4.914  -4.914
   39   1HG2  THR   6          HG22      THR   6   7.946  -3.021  -3.021
   40   2HG2  THR   6          HG21      THR   6   9.171  -4.278  -4.278
   41   3HG2  THR   6          HG23      THR   6   8.091  -3.902  -3.902
   42    H    CYS   7           HN       CYS   7   4.920  -2.359  -2.359
   43    HA   CYS   7           HA       CYS   7   4.160  -3.947  -3.947
   44   1HB   CYS   7           HB2      CYS   7   3.200  -1.252  -1.252
   45   2HB   CYS   7           HB1      CYS   7   2.751  -1.932  -1.932
   46    H    THR   8           HN       THR   8   6.343  -1.533  -1.533
   47    HA   THR   8           HA       THR   8   6.885  -0.192  -0.192
   48    HB   THR   8           HB       THR   8   7.547   0.849   0.849
   49    HG1  THR   8           HG1      THR   8   9.853  -0.085  -0.085
   50   1HG2  THR   8          HG23      THR   8   8.199  -1.737  -1.737
   51   2HG2  THR   8          HG22      THR   8   9.765  -0.937  -0.937
   52   3HG2  THR   8          HG21      THR   8   8.519  -0.260  -0.260
   53    H    VAL   9           HN       VAL   9   7.377  -1.536  -1.536
   54    HA   VAL   9           HA       VAL   9   9.691  -3.360  -3.360
   55    HB   VAL   9           HB       VAL   9   7.390  -3.688  -3.688
   56   1HG1  VAL   9          HG13      VAL   9   9.862  -5.281  -5.281
   57   2HG1  VAL   9          HG12      VAL   9   8.435  -6.069  -6.069
   58   3HG1  VAL   9          HG11      VAL   9   9.255  -4.796  -4.796
   59   1HG2  VAL   9          HG21      VAL   9   6.722  -3.988  -3.988
   60   2HG2  VAL   9          HG23      VAL   9   6.623  -5.483  -5.483
   61   3HG2  VAL   9          HG22      VAL   9   7.981  -5.214  -5.214
   62    H    ALA  10           HN       ALA  10  10.807  -3.774  -3.774
   63    HA   ALA  10           HA       ALA  10  11.645  -1.253  -1.253
   64   1HB   ALA  10           HB1      ALA  10  12.202  -4.114  -4.114
   65   2HB   ALA  10           HB3      ALA  10  12.551  -2.967  -2.967
   66   3HB   ALA  10           HB2      ALA  10  13.325  -2.784  -2.784
   67    HA   PRO  11           HA       PRO  11   8.323  -0.094  -0.094
   68   1HB   PRO  11           HB2      PRO  11  10.437   0.588   0.588
   69   2HB   PRO  11           HB1      PRO  11   9.223   1.630   1.630
   70   1HG   PRO  11           HG2      PRO  11  11.973   1.342   1.342
   71   2HG   PRO  11           HG1      PRO  11  10.753   2.373   2.373
   72   1HD   PRO  11           HD2      PRO  11  11.969   0.168   0.168
   73   2HD   PRO  11           HD1      PRO  11  10.460   0.929   0.929
   74    H    ARG  12           HN       ARG  12  11.182  -1.696  -1.696
   75    HA   ARG  12           HA       ARG  12   9.644  -2.810  -2.810
   76   1HB   ARG  12           HB2      ARG  12  12.331  -3.711  -3.711
   77   2HB   ARG  12           HB1      ARG  12  11.665  -4.070  -4.070
   78   1HG   ARG  12           HG2      ARG  12  12.910  -2.237  -2.237
   79   2HG   ARG  12           HG1      ARG  12  11.473  -1.377  -1.377
   80   1HD   ARG  12           HD2      ARG  12  12.473  -0.676  -0.676
   81   2HD   ARG  12           HD1      ARG  12  13.510  -2.098  -2.098
   82    HE   ARG  12           HE       ARG  12  15.118  -0.920  -0.920
   83   1HH1  ARG  12          HH11      ARG  12  11.974   0.514   0.514
   84   2HH1  ARG  12          HH12      ARG  12  12.577   1.860   1.860
   85   1HH2  ARG  12          HH21      ARG  12  15.887   0.853   0.853
   86   2HH2  ARG  12          HH22      ARG  12  14.784   2.049   2.049
   87    H    GLU  13           HN       GLU  13  10.765  -4.053  -4.053
   88    HA   GLU  13           HA       GLU  13   9.653  -6.687  -6.687
   89   1HB   GLU  13           HB2      GLU  13  10.680  -5.445  -5.445
   90   2HB   GLU  13           HB1      GLU  13  10.328  -7.155  -7.155
   91   1HG   GLU  13           HG2      GLU  13  11.982  -6.778  -6.778
   92   2HG   GLU  13           HG1      GLU  13  12.607  -5.520  -5.520
   93    H    ARG  14           HN       ARG  14   7.828  -4.301  -4.301
   94    HA   ARG  14           HA       ARG  14   6.080  -4.838  -4.838
   95   1HB   ARG  14           HB2      ARG  14   6.206  -2.616  -2.616
   96   2HB   ARG  14           HB1      ARG  14   4.799  -2.840  -2.840
   97   1HG   ARG  14           HG2      ARG  14   6.680  -2.956  -2.956
   98   2HG   ARG  14           HG1      ARG  14   7.568  -1.985  -1.985
   99   1HD   ARG  14           HD2      ARG  14   5.788  -0.334  -0.334
  100   2HD   ARG  14           HD1      ARG  14   4.772  -1.337  -1.337
  101    HE   ARG  14           HE       ARG  14   7.057  -0.961  -0.961
  102   1HH1  ARG  14          HH11      ARG  14   4.783   1.123   1.123
  103   2HH1  ARG  14          HH12      ARG  14   4.994   2.435   2.435
  104   1HH2  ARG  14          HH21      ARG  14   7.318   0.772   0.772
  105   2HH2  ARG  14          HH22      ARG  14   6.422   2.237   2.237
  106    H    GLN  15           HN       GLN  15   4.445  -6.294  -6.294
  107    HA   GLN  15           HA       GLN  15   3.779  -7.190  -7.190
  108   1HB   GLN  15           HB2      GLN  15   2.498  -7.875  -7.875
  109   2HB   GLN  15           HB1      GLN  15   2.277  -8.747  -8.747
  110   1HG   GLN  15           HG2      GLN  15   4.951  -8.376  -8.376
  111   2HG   GLN  15           HG1      GLN  15   3.958  -9.827  -9.827
  112   1HE2  GLN  15          HE22      GLN  15   6.466  -9.732  -9.732
  113   2HE2  GLN  15          HE21      GLN  15   6.662  -8.985  -8.985
  114    H    ASN  16           HN       ASN  16   2.287  -6.191  -6.191
  115    HA   ASN  16           HA       ASN  16   0.730  -4.000  -4.000
  116   1HB   ASN  16           HB2      ASN  16   1.469  -4.722  -4.722
  117   2HB   ASN  16           HB1      ASN  16  -0.038  -5.638  -5.638
  118   1HD2  ASN  16          HD22      ASN  16  -1.309  -2.529  -2.529
  119   2HD2  ASN  16          HD21      ASN  16  -0.684  -4.034  -4.034
  120    H    CYS  17           HN       CYS  17  -1.091  -4.039  -4.039
  121    HA   CYS  17           HA       CYS  17  -2.570  -6.571  -6.571
  122   1HB   CYS  17           HB2      CYS  17  -1.900  -5.280  -5.280
  123   2HB   CYS  17           HB1      CYS  17  -2.906  -3.943  -3.943
  124    H    GLY  18           HN       GLY  18  -2.772  -3.471  -3.471
  125   1HA   GLY  18           HA2      GLY  18  -5.029  -4.170  -4.170
  126   2HA   GLY  18           HA1      GLY  18  -5.569  -3.159  -3.159
  127    H    PHE  19           HN       PHE  19  -5.998  -1.971  -1.971
  128    HA   PHE  19           HA       PHE  19  -3.784  -0.580  -0.580
  129   1HB   PHE  19           HB2      PHE  19  -5.607   0.990   0.990
  130   2HB   PHE  19           HB1      PHE  19  -5.738  -0.703  -0.703
  131    HD1  PHE  19           HD2      PHE  19  -7.336  -2.212  -2.212
  132    HD2  PHE  19           HD1      PHE  19  -7.321   2.055   2.055
  133    HE1  PHE  19           HE2      PHE  19  -9.614  -2.317  -2.317
  134    HE2  PHE  19           HE1      PHE  19  -9.607   1.947   1.947
  135    HZ   PHE  19           HZ       PHE  19 -10.748  -0.238  -0.238
  136    HA   PRO  20           HA       PRO  20  -3.230   2.749   2.749
  137   1HB   PRO  20           HB2      PRO  20  -2.666   4.840   4.840
  138   2HB   PRO  20           HB1      PRO  20  -1.516   3.620   3.620
  139   1HG   PRO  20           HG2      PRO  20  -2.568   3.976   3.976
  140   2HG   PRO  20           HG1      PRO  20  -1.400   2.772   2.772
  141   1HD   PRO  20           HD2      PRO  20  -4.262   2.453   2.453
  142   2HD   PRO  20           HD1      PRO  20  -3.011   1.210   1.210
  143    H    GLY  21           HN       GLY  21  -5.513   3.434   3.434
  144   1HA   GLY  21           HA2      GLY  21  -6.598   5.846   5.846
  145   2HA   GLY  21           HA1      GLY  21  -7.471   4.668   4.668
  146    H    VAL  22           HN       VAL  22  -6.621   2.766   2.766
  147    HA   VAL  22           HA       VAL  22  -9.180   2.712   2.712
  148    HB   VAL  22           HB       VAL  22  -8.062   1.326   1.326
  149   1HG1  VAL  22          HG13      VAL  22  -8.823   0.401   0.401
  150   2HG1  VAL  22          HG12      VAL  22  -7.172   0.605   0.605
  151   3HG1  VAL  22          HG11      VAL  22  -7.504  -0.503  -0.503
  152   1HG2  VAL  22          HG23      VAL  22  -5.639   2.384   2.384
  153   2HG2  VAL  22          HG22      VAL  22  -5.913   2.182   2.182
  154   3HG2  VAL  22          HG21      VAL  22  -5.582   0.776   0.776
  155    H    THR  23           HN       THR  23  -9.060   2.814   2.814
  156    HA   THR  23           HA       THR  23  -7.771   5.347   5.347
  157    HB   THR  23           HB       THR  23 -10.032   5.935   5.935
  158    HG1  THR  23           HG1      THR  23 -11.770   4.932   4.932
  159   1HG2  THR  23          HG23      THR  23  -9.622   6.065   6.065
  160   2HG2  THR  23          HG22      THR  23 -10.845   6.993   6.993
  161   3HG2  THR  23          HG21      THR  23  -9.134   7.271   7.271
  162    HA   PRO  24           HA       PRO  24  -6.615   3.633   3.633
  163   1HB   PRO  24           HB2      PRO  24  -8.414   5.443   5.443
  164   2HB   PRO  24           HB1      PRO  24  -6.647   5.357   5.357
  165   1HG   PRO  24           HG2      PRO  24  -8.337   7.183   7.183
  166   2HG   PRO  24           HG1      PRO  24  -6.571   7.167   7.167
  167   1HD   PRO  24           HD2      PRO  24  -7.974   6.625   6.625
  168   2HD   PRO  24           HD1      PRO  24  -6.323   6.060   6.060
  169    H    SER  25           HN       SER  25 -10.110   4.294   4.294
  170    HA   SER  25           HA       SER  25 -10.951   2.420   2.420
  171   1HB   SER  25           HB2      SER  25 -12.295   4.390   4.390
  172   2HB   SER  25           HB1      SER  25 -12.586   3.405   3.405
  173    HG   SER  25           HG       SER  25 -13.165   2.647   2.647
  174    H    GLN  26           HN       GLN  26 -10.800   2.321   2.321
  175    HA   GLN  26           HA       GLN  26 -11.802  -0.310  -0.310
  176   1HB   GLN  26           HB2      GLN  26 -10.098   1.499   1.499
  177   2HB   GLN  26           HB1      GLN  26 -10.319  -0.182  -0.182
  178   1HG   GLN  26           HG2      GLN  26 -12.828   0.209   0.209
  179   2HG   GLN  26           HG1      GLN  26 -12.450   1.929   1.929
  180   1HE2  GLN  26          HE22      GLN  26 -13.037   0.805   0.805
  181   2HE2  GLN  26          HE21      GLN  26 -13.906   0.455   0.455
  182    H    CYS  27           HN       CYS  27  -8.439   0.909   0.909
  183    HA   CYS  27           HA       CYS  27  -7.197  -1.641  -1.641
  184   1HB   CYS  27           HB2      CYS  27  -6.130   0.710   0.710
  185   2HB   CYS  27           HB1      CYS  27  -6.119   0.653   0.653
  186    H    ALA  28           HN       ALA  28  -8.657   0.139   0.139
  187    HA   ALA  28           HA       ALA  28  -7.683  -1.789  -1.789
  188   1HB   ALA  28           HB2      ALA  28  -8.128   0.745   0.745
  189   2HB   ALA  28           HB1      ALA  28  -9.824   0.273   0.273
  190   3HB   ALA  28           HB3      ALA  28  -8.643  -0.378  -0.378
  191    H    ASN  29           HN       ASN  29 -10.143  -1.798  -1.798
  192    HA   ASN  29           HA       ASN  29 -12.148  -3.117  -3.117
  193   1HB   ASN  29           HB2      ASN  29 -12.544  -1.569  -1.569
  194   2HB   ASN  29           HB1      ASN  29 -12.208  -3.025  -3.025
  195   1HD2  ASN  29          HD22      ASN  29 -15.898  -2.804  -2.804
  196   2HD2  ASN  29          HD21      ASN  29 -14.824  -1.692  -1.692
  197    H    LYS  30           HN       LYS  30  -9.465  -3.991  -3.991
  198    HA   LYS  30           HA       LYS  30 -10.385  -6.796  -6.796
  199   1HB   LYS  30           HB2      LYS  30  -9.613  -5.713  -5.713
  200   2HB   LYS  30           HB1      LYS  30  -8.019  -5.515  -5.515
  201   1HG   LYS  30           HG2      LYS  30  -7.703  -7.541  -7.541
  202   2HG   LYS  30           HG1      LYS  30  -8.315  -8.116  -8.116
  203   1HD   LYS  30           HD2      LYS  30  -9.768  -9.259  -9.259
  204   2HD   LYS  30           HD1      LYS  30 -10.662  -7.742  -7.742
  205   1HE   LYS  30           HE2      LYS  30 -10.594  -7.944  -7.944
  206   2HE   LYS  30           HE1      LYS  30  -9.070  -7.094  -7.094
  207   1HZ   LYS  30           HZ3      LYS  30  -9.184 -10.016 -10.016
  208   2HZ   LYS  30           HZ2      LYS  30  -9.105  -9.206  -9.206
  209   3HZ   LYS  30           HZ1      LYS  30  -7.869  -9.003  -9.003
  210    H    GLY  31           HN       GLY  31  -7.789  -4.678  -4.678
  211   1HA   GLY  31           HA2      GLY  31  -6.774  -5.278  -5.278
  212   2HA   GLY  31           HA1      GLY  31  -6.833  -6.963  -6.963
  213    H    CYS  32           HN       CYS  32  -5.663  -3.921  -3.921
  214    HA   CYS  32           HA       CYS  32  -3.050  -5.283  -5.283
  215   1HB   CYS  32           HB2      CYS  32  -4.827  -3.960  -3.960
  216   2HB   CYS  32           HB1      CYS  32  -3.090  -3.730  -3.730
  217    H    CYS  33           HN       CYS  33  -1.241  -3.993  -3.993
  218    HA   CYS  33           HA       CYS  33  -1.571  -1.681  -1.681
  219   1HB   CYS  33           HB2      CYS  33   0.890  -2.458  -2.458
  220   2HB   CYS  33           HB1      CYS  33   0.838  -1.422  -1.422
  221    H    PHE  34           HN       PHE  34  -2.201   0.332   0.332
  222    HA   PHE  34           HA       PHE  34  -1.801   1.084   1.084
  223   1HB   PHE  34           HB2      PHE  34  -4.105   1.226   1.226
  224   2HB   PHE  34           HB1      PHE  34  -3.478   2.483   2.483
  225    HD1  PHE  34           HD2      PHE  34  -4.307   1.607   1.607
  226    HD2  PHE  34           HD1      PHE  34  -2.882   4.683   4.683
  227    HE1  PHE  34           HE2      PHE  34  -4.638   3.294   3.294
  228    HE2  PHE  34           HE1      PHE  34  -3.212   6.371   6.371
  229    HZ   PHE  34           HZ       PHE  34  -4.090   5.675   5.675
  230    H    ASP  35           HN       ASP  35  -0.096   2.423   2.423
  231    HA   ASP  35           HA       ASP  35   0.709   4.365   4.365
  232   1HB   ASP  35           HB2      ASP  35   2.205   2.270   2.270
  233   2HB   ASP  35           HB1      ASP  35   2.715   2.894   2.894
  234    H    ASP  36           HN       ASP  36   0.378   6.350   6.350
  235    HA   ASP  36           HA       ASP  36   0.942   6.642   6.642
  236   1HB   ASP  36           HB2      ASP  36  -0.566   8.636   8.636
  237   2HB   ASP  36           HB1      ASP  36  -1.387   7.124   7.124
  238    H    THR  37           HN       THR  37   3.211   6.688   6.688
  239    HA   THR  37           HA       THR  37   3.748   9.517   9.517
  240    HB   THR  37           HB       THR  37   5.844   8.579   8.579
  241    HG1  THR  37           HG1      THR  37   4.925   6.402   6.402
  242   1HG2  THR  37          HG23      THR  37   3.109   7.674   7.674
  243   2HG2  THR  37          HG22      THR  37   4.536   7.231   7.231
  244   3HG2  THR  37          HG21      THR  37   4.129   8.931   8.931
  245    H    VAL  38           HN       VAL  38   4.663   6.881   6.881
  246    HA   VAL  38           HA       VAL  38   6.519   8.761   8.761
  247    HB   VAL  38           HB       VAL  38   6.488   5.733   5.733
  248   1HG1  VAL  38          HG12      VAL  38   8.068   7.915   7.915
  249   2HG1  VAL  38          HG11      VAL  38   8.951   6.473   6.473
  250   3HG1  VAL  38          HG13      VAL  38   7.613   6.335   6.335
  251   1HG2  VAL  38          HG23      VAL  38   8.255   7.629   7.629
  252   2HG2  VAL  38          HG22      VAL  38   7.116   6.461   6.461
  253   3HG2  VAL  38          HG21      VAL  38   8.552   5.901   5.901
  254    H    ARG  39           HN       ARG  39   6.411   8.847   8.847
  255    HA   ARG  39           HA       ARG  39   3.754   8.053   8.053
  256   1HB   ARG  39           HB2      ARG  39   5.805  10.032  10.032
  257   2HB   ARG  39           HB1      ARG  39   4.268   9.677   9.677
  258   1HG   ARG  39           HG2      ARG  39   3.128  10.308  10.308
  259   2HG   ARG  39           HG1      ARG  39   4.693  10.908  10.908
  260   1HD   ARG  39           HD2      ARG  39   3.822  11.837  11.837
  261   2HD   ARG  39           HD1      ARG  39   2.897  12.455  12.455
  262    HE   ARG  39           HE       ARG  39   5.534  13.253  13.253
  263   1HH1  ARG  39          HH21      ARG  39   3.548  12.442  12.442
  264   2HH1  ARG  39          HH22      ARG  39   4.434  13.446  13.446
  265   1HH2  ARG  39          HH11      ARG  39   6.680  14.561  14.561
  266   2HH2  ARG  39          HH12      ARG  39   6.199  14.639  14.639
  267    H    GLY  40           HN       GLY  40   3.740   7.315   7.315
  268   1HA   GLY  40           HA2      GLY  40   4.619   6.063   6.063
  269   2HA   GLY  40           HA1      GLY  40   6.205   6.138   6.138
  270    H    VAL  41           HN       VAL  41   5.253   5.161   5.161
  271    HA   VAL  41           HA       VAL  41   5.232   2.310   2.310
  272    HB   VAL  41           HB       VAL  41   5.509   2.049   2.049
  273   1HG1  VAL  41          HG13      VAL  41   7.356   3.986   3.986
  274   2HG1  VAL  41          HG12      VAL  41   7.751   3.190   3.190
  275   3HG1  VAL  41          HG11      VAL  41   7.506   2.230   2.230
  276   1HG2  VAL  41          HG21      VAL  41   4.213   4.182   4.182
  277   2HG2  VAL  41          HG23      VAL  41   5.712   3.979   3.979
  278   3HG2  VAL  41          HG22      VAL  41   5.660   5.074   5.074
  279    HA   PRO  42           HA       PRO  42   0.935   1.721   1.721
  280   1HB   PRO  42           HB2      PRO  42   1.098  -0.823  -0.823
  281   2HB   PRO  42           HB1      PRO  42   1.054  -0.468  -0.468
  282   1HG   PRO  42           HG2      PRO  42   3.210  -1.553  -1.553
  283   2HG   PRO  42           HG1      PRO  42   3.179  -1.156  -1.156
  284   1HD   PRO  42           HD2      PRO  42   4.332   0.375   0.375
  285   2HD   PRO  42           HD1      PRO  42   4.701   0.463   0.463
  286    H    TRP  43           HN       TRP  43  -0.229   2.618   2.618
  287    HA   TRP  43           HA       TRP  43   0.903   2.796   2.796
  288   1HB   TRP  43           HB2      TRP  43  -1.894   3.483   3.483
  289   2HB   TRP  43           HB1      TRP  43  -1.149   4.006   4.006
  290    HD1  TRP  43           HD1      TRP  43   1.759   4.653   4.653
  291    HE1  TRP  43           HE1      TRP  43   1.989   6.819   6.819
  292    HE3  TRP  43           HE3      TRP  43  -3.158   5.555   5.555
  293    HZ2  TRP  43           HZ2      TRP  43   0.314   8.690   8.690
  294    HZ3  TRP  43           HZ3      TRP  43  -3.809   7.537   7.537
  295    HH2  TRP  43           HH2      TRP  43  -2.082   9.105   9.105
  296    H    CYS  44           HN       CYS  44  -1.848   0.984   0.984
  297    HA   CYS  44           HA       CYS  44  -2.312  -0.358  -0.358
  298   1HB   CYS  44           HB2      CYS  44  -4.155   0.360   0.360
  299   2HB   CYS  44           HB1      CYS  44  -3.626  -0.966  -0.966
  300    H    PHE  45           HN       PHE  45  -0.839  -1.967  -1.967
  301    HA   PHE  45           HA       PHE  45  -0.401  -4.029  -4.029
  302   1HB   PHE  45           HB2      PHE  45   1.988  -4.137  -4.137
  303   2HB   PHE  45           HB1      PHE  45   1.569  -2.511  -2.511
  304    HD1  PHE  45           HD2      PHE  45   0.893  -0.858  -0.858
  305    HD2  PHE  45           HD1      PHE  45   3.283  -4.388  -4.388
  306    HE1  PHE  45           HE2      PHE  45   1.836   0.055   0.055
  307    HE2  PHE  45           HE1      PHE  45   4.230  -3.484  -3.484
  308    HZ   PHE  45           HZ       PHE  45   3.505  -1.256  -1.256
  309    H    TYR  46           HN       TYR  46   0.869  -5.975  -5.975
  310    HA   TYR  46           HA       TYR  46  -0.863  -6.724  -6.724
  311   1HB   TYR  46           HB2      TYR  46   1.425  -8.083  -8.083
  312   2HB   TYR  46           HB1      TYR  46   0.617  -8.813  -8.813
  313    HD1  TYR  46           HD2      TYR  46  -1.806  -9.368  -9.368
  314    HD2  TYR  46           HD1      TYR  46   0.347  -7.943  -7.943
  315    HE1  TYR  46           HE2      TYR  46  -3.637 -10.155 -10.155
  316    HE2  TYR  46           HE1      TYR  46  -1.486  -8.727  -8.727
  317    HH   TYR  46           HH       TYR  46  -3.656  -9.430  -9.430
  318    HA   PRO  47           HA       PRO  47   2.023  -5.866  -5.866
  319   1HB   PRO  47           HB2      PRO  47   1.167  -7.775  -7.775
  320   2HB   PRO  47           HB1      PRO  47   0.301  -6.272  -6.272
  321   1HG   PRO  47           HG2      PRO  47  -0.504  -8.956  -8.956
  322   2HG   PRO  47           HG1      PRO  47  -1.376  -7.452  -7.452
  323   1HD   PRO  47           HD2      PRO  47   0.281  -9.096  -9.096
  324   2HD   PRO  47           HD1      PRO  47  -1.001  -7.926  -7.926
  325    H    ASN  48           HN       ASN  48   3.711  -6.886  -6.886
  326    HA   ASN  48           HA       ASN  48   4.684  -9.515  -9.515
  327   1HB   ASN  48           HB2      ASN  48   6.029  -6.899  -6.899
  328   2HB   ASN  48           HB1      ASN  48   7.046  -8.250  -8.250
  329   1HD2  ASN  48          HD22      ASN  48   6.648  -8.293  -8.293
  330   2HD2  ASN  48          HD21      ASN  48   7.189  -7.120  -7.120
  331    H    THR  49           HN       THR  49   3.950  -9.995  -9.995
  332    HA   THR  49           HA       THR  49   5.215  -8.653  -8.653
  333    HB   THR  49           HB       THR  49   4.249 -10.635 -10.635
  334    HG1  THR  49           HG1      THR  49   3.922 -11.438 -11.438
  335   1HG2  THR  49          HG23      THR  49   3.061  -8.480  -8.480
  336   2HG2  THR  49          HG22      THR  49   2.369  -9.076  -9.076
  337   3HG2  THR  49          HG21      THR  49   1.943  -9.845  -9.845
  338    H    ILE  50           HN       ILE  50   7.295  -8.987  -8.987
  339    HA   ILE  50           HA       ILE  50   8.654 -11.449 -11.449
  340    HB   ILE  50           HB       ILE  50   9.834  -8.956  -8.956
  341   1HG1  ILE  50          HG12      ILE  50   9.819  -9.738  -9.738
  342   2HG1  ILE  50          HG11      ILE  50   8.663  -8.605  -8.605
  343   1HG2  ILE  50          HG22      ILE  50  11.189 -11.036 -11.036
  344   2HG2  ILE  50          HG21      ILE  50  11.103 -11.219 -11.219
  345   3HG2  ILE  50          HG23      ILE  50  11.948  -9.839  -9.839
  346   1HD1  ILE  50          HD11      ILE  50  10.819  -7.421  -7.421
  347   2HD1  ILE  50          HD13      ILE  50  11.628  -8.298  -8.298
  348   3HD1  ILE  50          HD12      ILE  50  10.337  -7.159  -7.159
  349    H    ASP  51           HN       ASP  51   9.527 -12.925 -12.925
  350    HA   ASP  51           HA       ASP  51   9.658 -12.286 -12.286
  351   1HB   ASP  51           HB2      ASP  51   7.331 -13.752 -13.752
  352   2HB   ASP  51           HB1      ASP  51   8.033 -14.403 -14.403
  353    H    VAL  52           HN       VAL  52  10.181 -14.448 -14.448
  354    HA   VAL  52           HA       VAL  52  12.335 -15.726 -15.726
  355    HB   VAL  52           HB       VAL  52  12.641 -16.985 -16.985
  356   1HG1  VAL  52          HG13      VAL  52  13.512 -14.602 -14.602
  357   2HG1  VAL  52          HG12      VAL  52  12.225 -14.053 -14.053
  358   3HG1  VAL  52          HG11      VAL  52  13.484 -15.124 -15.124
  359   1HG2  VAL  52          HG21      VAL  52   9.999 -16.630 -16.630
  360   2HG2  VAL  52          HG23      VAL  52  11.123 -16.889 -16.889
  361   3HG2  VAL  52          HG22      VAL  52  10.602 -15.254 -15.254
  362    HA   PRO  53           HA       PRO  53  10.710 -19.384 -19.384
  363   1HB   PRO  53           HB2      PRO  53  12.107 -21.077 -21.077
  364   2HB   PRO  53           HB1      PRO  53  12.330 -20.967 -20.967
  365   1HG   PRO  53           HG2      PRO  53  13.896 -19.760 -19.760
  366   2HG   PRO  53           HG1      PRO  53  14.164 -19.721 -19.721
  367   1HD   PRO  53           HD2      PRO  53  13.478 -17.518 -17.518
  368   2HD   PRO  53           HD1      PRO  53  13.183 -17.665 -17.665
  369    HA   PRO  54           HA       PRO  54   7.566 -20.152 -20.152
  370   1HB   PRO  54           HB2      PRO  54   5.438 -19.272 -19.272
  371   2HB   PRO  54           HB1      PRO  54   6.379 -18.250 -18.250
  372   1HG   PRO  54           HG2      PRO  54   6.248 -18.112 -18.112
  373   2HG   PRO  54           HG1      PRO  54   7.190 -17.098 -17.098
  374   1HD   PRO  54           HD2      PRO  54   8.063 -19.426 -19.426
  375   2HD   PRO  54           HD1      PRO  54   9.024 -18.087 -18.087
  376    H    GLU  55           HN       GLU  55   4.993 -20.993 -20.993
  377    HA   GLU  55           HA       GLU  55   5.741 -23.526 -23.526
  378   1HB   GLU  55           HB2      GLU  55   4.474 -23.275 -23.275
  379   2HB   GLU  55           HB1      GLU  55   3.071 -23.107 -23.107
  380   1HG   GLU  55           HG2      GLU  55   4.085 -25.223 -25.223
  381   2HG   GLU  55           HG1      GLU  55   4.906 -25.456 -25.456
  382    H    GLU  56           HN       GLU  56   4.118 -24.408 -24.408
  383    HA   GLU  56           HA       GLU  56   3.060 -22.204 -22.204
  384   1HB   GLU  56           HB2      GLU  56   3.560 -25.136 -25.136
  385   2HB   GLU  56           HB1      GLU  56   2.837 -24.013 -24.013
  386   1HG   GLU  56           HG2      GLU  56   5.476 -23.387 -23.387
  387   2HG   GLU  56           HG1      GLU  56   5.402 -24.398 -24.398
  388    H    GLU  57           HN       GLU  57   0.908 -21.738 -21.738
  389    HA   GLU  57           HA       GLU  57  -0.958 -23.974 -23.974
  390   1HB   GLU  57           HB2      GLU  57  -0.302 -22.383 -22.383
  391   2HB   GLU  57           HB1      GLU  57  -1.515 -21.344 -21.344
  392   1HG   GLU  57           HG2      GLU  57  -2.940 -22.597 -22.597
  393   2HG   GLU  57           HG1      GLU  57  -2.840 -23.693 -23.693
  394    H    SER  58           HN       SER  58  -3.335 -23.032 -23.032
  395    HA   SER  58           HA       SER  58  -3.297 -21.058 -21.058
  396   1HB   SER  58           HB2      SER  58  -4.674 -23.755 -23.755
  397   2HB   SER  58           HB1      SER  58  -5.059 -22.484 -22.484
  398    HG   SER  58           HG       SER  58  -2.481 -22.644 -22.644
  399    H    GLU  59           HN       GLU  59  -5.273 -19.825 -19.825
  400    HA   GLU  59           HA       GLU  59  -7.341 -20.307 -20.307
  401   1HB   GLU  59           HB2      GLU  59  -5.324 -18.580 -18.580
  402   2HB   GLU  59           HB1      GLU  59  -6.456 -17.485 -17.485
  403   1HG   GLU  59           HG2      GLU  59  -8.172 -17.933 -17.933
  404   2HG   GLU  59           HG1      GLU  59  -7.406 -19.422 -19.422
  405    H    PHE  60           HN       PHE  60  -9.128 -18.474 -18.474
  406    HA   PHE  60           HA       PHE  60  -9.951 -18.663 -18.663
  407   1HB   PHE  60           HB2      PHE  60 -11.012 -16.990 -16.990
  408   2HB   PHE  60           HB1      PHE  60 -11.819 -17.189 -17.189
  409    HD1  PHE  60           HD1      PHE  60 -11.709 -19.887 -19.887
  410    HD2  PHE  60           HD2      PHE  60 -11.970 -18.280 -18.280
  411    HE1  PHE  60           HE1      PHE  60 -12.719 -22.009 -22.009
  412    HE2  PHE  60           HE2      PHE  60 -12.980 -20.401 -20.401
  413    HZ   PHE  60           HZ       PHE  60 -13.355 -22.266 -22.266

  Start of MODEL   19
    1   1H    GLU   1           HT1      GLU   1  12.680  -3.841  -3.841
    2   2H    GLU   1           HT3      GLU   1  12.905  -2.239  -2.239
    3   3H    GLU   1           HT2      GLU   1  11.667  -2.615  -2.615
    4    HA   GLU   1           HA       GLU   1  10.458  -2.464  -2.464
    5   1HB   GLU   1           HB2      GLU   1  11.352  -3.223  -3.223
    6   2HB   GLU   1           HB1      GLU   1  12.316  -1.937  -1.937
    7   1HG   GLU   1           HG2      GLU   1  13.083  -4.737  -4.737
    8   2HG   GLU   1           HG1      GLU   1  13.432  -4.181  -4.181
    9    H    ALA   2           HN       ALA   2   9.515  -4.295  -4.295
   10    HA   ALA   2           HA       ALA   2   9.932  -6.969  -6.969
   11   1HB   ALA   2           HB3      ALA   2   7.442  -5.325  -5.325
   12   2HB   ALA   2           HB2      ALA   2   7.274  -7.059  -7.059
   13   3HB   ALA   2           HB1      ALA   2   8.120  -6.467  -6.467
   14    H    GLN   3           HN       GLN   3   8.400  -8.575  -8.575
   15    HA   GLN   3           HA       GLN   3   8.784  -7.869  -7.869
   16   1HB   GLN   3           HB2      GLN   3   8.662 -10.448 -10.448
   17   2HB   GLN   3           HB1      GLN   3   8.292 -10.442 -10.442
   18   1HG   GLN   3           HG2      GLN   3  10.639 -10.874 -10.874
   19   2HG   GLN   3           HG1      GLN   3  10.490  -9.187  -9.187
   20   1HE2  GLN   3          HE22      GLN   3  11.976  -7.921  -7.921
   21   2HE2  GLN   3          HE21      GLN   3  11.262  -7.567  -7.567
   22    H    THR   4           HN       THR   4   6.980  -7.222  -7.222
   23    HA   THR   4           HA       THR   4   4.425  -8.564  -8.564
   24    HB   THR   4           HB       THR   4   3.395  -6.167  -6.167
   25    HG1  THR   4           HG1      THR   4   6.005  -5.672  -5.672
   26   1HG2  THR   4          HG21      THR   4   3.606  -7.757  -7.757
   27   2HG2  THR   4          HG23      THR   4   4.846  -6.617  -6.617
   28   3HG2  THR   4          HG22      THR   4   3.194  -6.061  -6.061
   29    H    GLU   5           HN       GLU   5   2.771  -7.179  -7.179
   30    HA   GLU   5           HA       GLU   5   3.584  -8.142  -8.142
   31   1HB   GLU   5           HB2      GLU   5   1.358  -6.362  -6.362
   32   2HB   GLU   5           HB1      GLU   5   1.616  -6.601  -6.601
   33   1HG   GLU   5           HG2      GLU   5   0.245  -8.403  -8.403
   34   2HG   GLU   5           HG1      GLU   5   1.744  -9.174  -9.174
   35    H    THR   6           HN       THR   6   4.289  -6.953  -6.953
   36    HA   THR   6           HA       THR   6   5.080  -4.144  -4.144
   37    HB   THR   6           HB       THR   6   6.939  -5.934  -5.934
   38    HG1  THR   6           HG1      THR   6   7.594  -5.703  -5.703
   39   1HG2  THR   6          HG22      THR   6   6.979  -3.303  -3.303
   40   2HG2  THR   6          HG21      THR   6   7.781  -3.879  -3.879
   41   3HG2  THR   6          HG23      THR   6   8.457  -4.257  -4.257
   42    H    CYS   7           HN       CYS   7   4.392  -2.858  -2.858
   43    HA   CYS   7           HA       CYS   7   3.866  -4.179  -4.179
   44   1HB   CYS   7           HB2      CYS   7   2.312  -2.202  -2.202
   45   2HB   CYS   7           HB1      CYS   7   2.317  -1.984  -1.984
   46    H    THR   8           HN       THR   8   6.448  -3.280  -3.280
   47    HA   THR   8           HA       THR   8   6.575  -0.886  -0.886
   48    HB   THR   8           HB       THR   8   7.102  -0.161  -0.161
   49    HG1  THR   8           HG1      THR   8   8.570   0.194   0.194
   50   1HG2  THR   8          HG23      THR   8   7.958  -2.709  -2.709
   51   2HG2  THR   8          HG22      THR   8   9.500  -1.876  -1.876
   52   3HG2  THR   8          HG21      THR   8   8.363  -1.351  -1.351
   53    H    VAL   9           HN       VAL   9   7.325  -1.773  -1.773
   54    HA   VAL   9           HA       VAL   9   9.720  -3.517  -3.517
   55    HB   VAL   9           HB       VAL   9   7.576  -3.680  -3.680
   56   1HG1  VAL   9          HG11      VAL   9  10.097  -5.195  -5.195
   57   2HG1  VAL   9          HG13      VAL   9   8.779  -5.993  -5.993
   58   3HG1  VAL   9          HG12      VAL   9   9.549  -4.569  -4.569
   59   1HG2  VAL   9          HG22      VAL   9   8.043  -5.427  -5.427
   60   2HG2  VAL   9          HG21      VAL   9   6.655  -4.372  -4.372
   61   3HG2  VAL   9          HG23      VAL   9   6.903  -5.781  -5.781
   62    H    ALA  10           HN       ALA  10  10.896  -3.519  -3.519
   63    HA   ALA  10           HA       ALA  10  11.555  -0.772  -0.772
   64   1HB   ALA  10           HB1      ALA  10  12.525  -3.449  -3.449
   65   2HB   ALA  10           HB3      ALA  10  12.805  -2.129  -2.129
   66   3HB   ALA  10           HB2      ALA  10  13.440  -2.030  -2.030
   67    HA   PRO  11           HA       PRO  11   8.638   0.586   0.586
   68   1HB   PRO  11           HB2      PRO  11  10.899   1.107   1.107
   69   2HB   PRO  11           HB1      PRO  11   9.729   2.238   2.238
   70   1HG   PRO  11           HG2      PRO  11  12.409   1.703   1.703
   71   2HG   PRO  11           HG1      PRO  11  11.251   2.868   2.868
   72   1HD   PRO  11           HD2      PRO  11  12.153   0.616   0.616
   73   2HD   PRO  11           HD1      PRO  11  10.643   1.474   1.474
   74    H    ARG  12           HN       ARG  12  11.450  -0.963  -0.963
   75    HA   ARG  12           HA       ARG  12   9.794  -2.106  -2.106
   76   1HB   ARG  12           HB2      ARG  12  11.870  -3.410  -3.410
   77   2HB   ARG  12           HB1      ARG  12  12.115  -1.666  -1.666
   78   1HG   ARG  12           HG2      ARG  12  13.513  -1.814  -1.814
   79   2HG   ARG  12           HG1      ARG  12  12.510  -3.019  -3.019
   80   1HD   ARG  12           HD2      ARG  12  14.281  -4.386  -4.386
   81   2HD   ARG  12           HD1      ARG  12  13.438  -4.518  -4.518
   82    HE   ARG  12           HE       ARG  12  15.065  -2.292  -2.292
   83   1HH1  ARG  12          HH11      ARG  12  15.482  -5.669  -5.669
   84   2HH1  ARG  12          HH12      ARG  12  17.073  -5.760  -5.760
   85   1HH2  ARG  12          HH21      ARG  12  17.151  -2.434  -2.434
   86   2HH2  ARG  12          HH22      ARG  12  18.012  -3.936  -3.936
   87    H    GLU  13           HN       GLU  13  10.933  -3.246  -3.246
   88    HA   GLU  13           HA       GLU  13  10.097  -5.987  -5.987
   89   1HB   GLU  13           HB2      GLU  13  11.114  -4.598  -4.598
   90   2HB   GLU  13           HB1      GLU  13  10.675  -6.306  -6.306
   91   1HG   GLU  13           HG2      GLU  13  12.291  -6.269  -6.269
   92   2HG   GLU  13           HG1      GLU  13  12.991  -4.901  -4.901
   93    H    ARG  14           HN       ARG  14   8.019  -3.962  -3.962
   94    HA   ARG  14           HA       ARG  14   6.316  -4.550  -4.550
   95   1HB   ARG  14           HB2      ARG  14   6.290  -2.347  -2.347
   96   2HB   ARG  14           HB1      ARG  14   4.883  -2.684  -2.684
   97   1HG   ARG  14           HG2      ARG  14   6.631  -2.591  -2.591
   98   2HG   ARG  14           HG1      ARG  14   7.587  -1.666  -1.666
   99   1HD   ARG  14           HD2      ARG  14   5.896   0.001   0.001
  100   2HD   ARG  14           HD1      ARG  14   4.700  -1.003  -1.003
  101    HE   ARG  14           HE       ARG  14   6.963  -0.471  -0.471
  102   1HH1  ARG  14          HH11      ARG  14   4.012   0.869   0.869
  103   2HH1  ARG  14          HH12      ARG  14   3.773   1.957   1.957
  104   1HH2  ARG  14          HH21      ARG  14   6.629   0.962   0.962
  105   2HH2  ARG  14          HH22      ARG  14   5.248   2.008   2.008
  106    H    GLN  15           HN       GLN  15   4.299  -5.570  -5.570
  107    HA   GLN  15           HA       GLN  15   3.931  -6.766  -6.766
  108   1HB   GLN  15           HB2      GLN  15   2.684  -7.528  -7.528
  109   2HB   GLN  15           HB1      GLN  15   2.522  -8.413  -8.413
  110   1HG   GLN  15           HG2      GLN  15   4.358  -9.582  -9.582
  111   2HG   GLN  15           HG1      GLN  15   5.290  -8.111  -8.111
  112   1HE2  GLN  15          HE22      GLN  15   6.044  -7.736  -7.736
  113   2HE2  GLN  15          HE21      GLN  15   6.407  -7.342  -7.342
  114    H    ASN  16           HN       ASN  16   2.486  -5.680  -5.680
  115    HA   ASN  16           HA       ASN  16   0.691  -3.712  -3.712
  116   1HB   ASN  16           HB2      ASN  16   1.570  -4.198  -4.198
  117   2HB   ASN  16           HB1      ASN  16   0.187  -5.288  -5.288
  118   1HD2  ASN  16          HD22      ASN  16  -1.524  -2.362  -2.362
  119   2HD2  ASN  16          HD21      ASN  16  -0.787  -3.805  -3.805
  120    H    CYS  17           HN       CYS  17  -1.118  -4.026  -4.026
  121    HA   CYS  17           HA       CYS  17  -2.386  -6.678  -6.678
  122   1HB   CYS  17           HB2      CYS  17  -1.769  -5.112  -5.112
  123   2HB   CYS  17           HB1      CYS  17  -3.358  -4.440  -4.440
  124    H    GLY  18           HN       GLY  18  -2.812  -3.485  -3.485
  125   1HA   GLY  18           HA2      GLY  18  -5.064  -4.222  -4.222
  126   2HA   GLY  18           HA1      GLY  18  -5.600  -3.268  -3.268
  127    H    PHE  19           HN       PHE  19  -6.113  -1.987  -1.987
  128    HA   PHE  19           HA       PHE  19  -3.937  -0.524  -0.524
  129   1HB   PHE  19           HB2      PHE  19  -5.805   1.047   1.047
  130   2HB   PHE  19           HB1      PHE  19  -5.901  -0.627  -0.627
  131    HD1  PHE  19           HD1      PHE  19  -7.456  -2.225  -2.225
  132    HD2  PHE  19           HD2      PHE  19  -7.517   2.011   2.011
  133    HE1  PHE  19           HE1      PHE  19  -9.721  -2.426  -2.426
  134    HE2  PHE  19           HE2      PHE  19  -9.785   1.806   1.806
  135    HZ   PHE  19           HZ       PHE  19 -10.884  -0.411  -0.411
  136    HA   PRO  20           HA       PRO  20  -3.393   2.714   2.714
  137   1HB   PRO  20           HB2      PRO  20  -2.886   4.871   4.871
  138   2HB   PRO  20           HB1      PRO  20  -1.712   3.644   3.644
  139   1HG   PRO  20           HG2      PRO  20  -2.826   4.087   4.087
  140   2HG   PRO  20           HG1      PRO  20  -1.625   2.885   2.885
  141   1HD   PRO  20           HD2      PRO  20  -4.490   2.532   2.532
  142   2HD   PRO  20           HD1      PRO  20  -3.215   1.307   1.307
  143    H    GLY  21           HN       GLY  21  -5.742   3.455   3.455
  144   1HA   GLY  21           HA2      GLY  21  -6.822   5.835   5.835
  145   2HA   GLY  21           HA1      GLY  21  -7.726   4.650   4.650
  146    H    VAL  22           HN       VAL  22  -6.842   2.690   2.690
  147    HA   VAL  22           HA       VAL  22  -9.328   2.703   2.703
  148    HB   VAL  22           HB       VAL  22  -8.161   1.218   1.218
  149   1HG1  VAL  22          HG13      VAL  22  -9.106   0.438   0.438
  150   2HG1  VAL  22          HG12      VAL  22  -7.458   0.507   0.507
  151   3HG1  VAL  22          HG11      VAL  22  -7.855  -0.594  -0.594
  152   1HG2  VAL  22          HG22      VAL  22  -5.784   2.087   2.087
  153   2HG2  VAL  22          HG21      VAL  22  -5.962   2.104   2.104
  154   3HG2  VAL  22          HG23      VAL  22  -5.779   0.572   0.572
  155    H    THR  23           HN       THR  23  -9.388   2.895   2.895
  156    HA   THR  23           HA       THR  23  -7.832   5.271   5.271
  157    HB   THR  23           HB       THR  23  -9.871   6.128   6.128
  158    HG1  THR  23           HG1      THR  23 -11.806   5.110   5.110
  159   1HG2  THR  23          HG22      THR  23 -10.241   5.557   5.557
  160   2HG2  THR  23          HG21      THR  23 -11.069   6.818   6.818
  161   3HG2  THR  23          HG23      THR  23  -9.323   6.902   6.902
  162    HA   PRO  24           HA       PRO  24  -6.574   3.409   3.409
  163   1HB   PRO  24           HB2      PRO  24  -8.321   5.160   5.160
  164   2HB   PRO  24           HB1      PRO  24  -6.555   5.068   5.068
  165   1HG   PRO  24           HG2      PRO  24  -8.281   6.958   6.958
  166   2HG   PRO  24           HG1      PRO  24  -6.513   6.933   6.933
  167   1HD   PRO  24           HD2      PRO  24  -7.983   6.496   6.496
  168   2HD   PRO  24           HD1      PRO  24  -6.326   5.910   5.910
  169    H    SER  25           HN       SER  25 -10.065   4.048   4.048
  170    HA   SER  25           HA       SER  25 -10.881   2.132   2.132
  171   1HB   SER  25           HB2      SER  25 -12.340   3.577   3.577
  172   2HB   SER  25           HB1      SER  25 -13.138   2.436   2.436
  173    HG   SER  25           HG       SER  25 -12.386   5.004   5.004
  174    H    GLN  26           HN       GLN  26 -10.800   2.133   2.133
  175    HA   GLN  26           HA       GLN  26 -11.784  -0.519  -0.519
  176   1HB   GLN  26           HB2      GLN  26 -10.103   1.238   1.238
  177   2HB   GLN  26           HB1      GLN  26 -10.704  -0.347  -0.347
  178   1HG   GLN  26           HG2      GLN  26 -13.016   0.386   0.386
  179   2HG   GLN  26           HG1      GLN  26 -12.430   1.966   1.966
  180   1HE2  GLN  26          HE22      GLN  26 -12.888   1.227   1.227
  181   2HE2  GLN  26          HE21      GLN  26 -13.401   0.135   0.135
  182    H    CYS  27           HN       CYS  27  -8.430   0.790   0.790
  183    HA   CYS  27           HA       CYS  27  -7.135  -1.701  -1.701
  184   1HB   CYS  27           HB2      CYS  27  -6.134   0.659   0.659
  185   2HB   CYS  27           HB1      CYS  27  -6.025   0.595   0.595
  186    H    ALA  28           HN       ALA  28  -8.508  -0.134  -0.134
  187    HA   ALA  28           HA       ALA  28  -7.282  -2.122  -2.122
  188   1HB   ALA  28           HB3      ALA  28  -7.521   0.274   0.274
  189   2HB   ALA  28           HB2      ALA  28  -9.272   0.073   0.073
  190   3HB   ALA  28           HB1      ALA  28  -8.309  -0.846  -0.846
  191    H    ASN  29           HN       ASN  29 -10.070  -1.889  -1.889
  192    HA   ASN  29           HA       ASN  29 -11.723  -3.526  -3.526
  193   1HB   ASN  29           HB2      ASN  29 -12.725  -1.653  -1.653
  194   2HB   ASN  29           HB1      ASN  29 -12.317  -2.529  -2.529
  195   1HD2  ASN  29          HD22      ASN  29 -15.344  -3.951  -3.951
  196   2HD2  ASN  29          HD21      ASN  29 -14.202  -2.876  -2.876
  197    H    LYS  30           HN       LYS  30  -9.275  -4.066  -4.066
  198    HA   LYS  30           HA       LYS  30 -10.454  -6.664  -6.664
  199   1HB   LYS  30           HB2      LYS  30  -8.241  -4.987  -4.987
  200   2HB   LYS  30           HB1      LYS  30  -8.612  -6.630  -6.630
  201   1HG   LYS  30           HG2      LYS  30 -10.852  -5.989  -5.989
  202   2HG   LYS  30           HG1      LYS  30 -10.643  -4.385  -4.385
  203   1HD   LYS  30           HD2      LYS  30  -9.092  -3.732  -3.732
  204   2HD   LYS  30           HD1      LYS  30  -8.819  -5.398  -5.398
  205   1HE   LYS  30           HE2      LYS  30 -10.253  -4.254  -4.254
  206   2HE   LYS  30           HE1      LYS  30 -11.174  -5.510  -5.510
  207   1HZ   LYS  30           HZ2      LYS  30 -11.126  -2.688  -2.688
  208   2HZ   LYS  30           HZ1      LYS  30 -12.298  -3.340  -3.340
  209   3HZ   LYS  30           HZ3      LYS  30 -12.162  -3.921  -3.921
  210    H    GLY  31           HN       GLY  31  -7.800  -5.103  -5.103
  211   1HA   GLY  31           HA2      GLY  31  -6.752  -6.411  -6.411
  212   2HA   GLY  31           HA1      GLY  31  -6.795  -7.804  -7.804
  213    H    CYS  32           HN       CYS  32  -5.991  -4.689  -4.689
  214    HA   CYS  32           HA       CYS  32  -3.172  -5.594  -5.594
  215   1HB   CYS  32           HB2      CYS  32  -4.596  -3.635  -3.635
  216   2HB   CYS  32           HB1      CYS  32  -3.048  -4.425  -4.425
  217    H    CYS  33           HN       CYS  33  -1.560  -4.169  -4.169
  218    HA   CYS  33           HA       CYS  33  -2.397  -1.988  -1.988
  219   1HB   CYS  33           HB2      CYS  33   0.197  -3.232  -3.232
  220   2HB   CYS  33           HB1      CYS  33   0.245  -1.577  -1.577
  221    H    PHE  34           HN       PHE  34  -2.534   0.170   0.170
  222    HA   PHE  34           HA       PHE  34  -1.937   0.943   0.943
  223   1HB   PHE  34           HB2      PHE  34  -4.248   1.301   1.301
  224   2HB   PHE  34           HB1      PHE  34  -3.518   2.478   2.478
  225    HD1  PHE  34           HD1      PHE  34  -4.153   1.671   1.671
  226    HD2  PHE  34           HD2      PHE  34  -2.887   4.657   4.657
  227    HE1  PHE  34           HE1      PHE  34  -4.278   3.400   3.400
  228    HE2  PHE  34           HE2      PHE  34  -3.012   6.385   6.385
  229    HZ   PHE  34           HZ       PHE  34  -3.709   5.755   5.755
  230    H    ASP  35           HN       ASP  35  -0.442   2.590   2.590
  231    HA   ASP  35           HA       ASP  35   0.659   4.123   4.123
  232   1HB   ASP  35           HB2      ASP  35   1.998   1.982   1.982
  233   2HB   ASP  35           HB1      ASP  35   2.465   2.533   2.533
  234    H    ASP  36           HN       ASP  36   0.109   6.115   6.115
  235    HA   ASP  36           HA       ASP  36   0.910   6.613   6.613
  236   1HB   ASP  36           HB2      ASP  36  -0.565   8.627   8.627
  237   2HB   ASP  36           HB1      ASP  36  -1.428   7.108   7.108
  238    H    THR  37           HN       THR  37   3.205   6.703   6.703
  239    HA   THR  37           HA       THR  37   3.726   9.376   9.376
  240    HB   THR  37           HB       THR  37   5.861   8.322   8.322
  241    HG1  THR  37           HG1      THR  37   5.418   6.498   6.498
  242   1HG2  THR  37          HG21      THR  37   3.819   8.609   8.609
  243   2HG2  THR  37          HG23      THR  37   3.312   6.985   6.985
  244   3HG2  THR  37          HG22      THR  37   4.789   7.213   7.213
  245    H    VAL  38           HN       VAL  38   4.945   6.866   6.866
  246    HA   VAL  38           HA       VAL  38   6.523   8.992   8.992
  247    HB   VAL  38           HB       VAL  38   6.844   5.983   5.983
  248   1HG1  VAL  38          HG12      VAL  38   7.638   7.324   7.324
  249   2HG1  VAL  38          HG11      VAL  38   8.659   8.258   8.258
  250   3HG1  VAL  38          HG13      VAL  38   8.961   6.537   6.537
  251   1HG2  VAL  38          HG22      VAL  38   7.350   6.884   6.884
  252   2HG2  VAL  38          HG21      VAL  38   8.782   6.256   6.256
  253   3HG2  VAL  38          HG23      VAL  38   8.506   7.997   7.997
  254    H    ARG  39           HN       ARG  39   6.426   9.082   9.082
  255    HA   ARG  39           HA       ARG  39   3.861   8.045   8.045
  256   1HB   ARG  39           HB2      ARG  39   5.653  10.345  10.345
  257   2HB   ARG  39           HB1      ARG  39   4.557   9.688   9.688
  258   1HG   ARG  39           HG2      ARG  39   2.670  10.385  10.385
  259   2HG   ARG  39           HG1      ARG  39   3.424  10.221  10.221
  260   1HD   ARG  39           HD2      ARG  39   4.509  12.291  12.291
  261   2HD   ARG  39           HD1      ARG  39   4.398  12.325  12.325
  262    HE   ARG  39           HE       ARG  39   2.417  13.291  13.291
  263   1HH1  ARG  39          HH21      ARG  39   2.886  11.724  11.724
  264   2HH1  ARG  39          HH22      ARG  39   1.395  12.302  12.302
  265   1HH2  ARG  39          HH11      ARG  39   0.468  14.036  14.036
  266   2HH2  ARG  39          HH12      ARG  39   0.034  13.604  13.604
  267    H    GLY  40           HN       GLY  40   4.008   7.497   7.497
  268   1HA   GLY  40           HA2      GLY  40   5.062   6.364   6.364
  269   2HA   GLY  40           HA1      GLY  40   6.567   6.389   6.389
  270    H    VAL  41           HN       VAL  41   5.285   5.284   5.284
  271    HA   VAL  41           HA       VAL  41   5.216   2.466   2.466
  272    HB   VAL  41           HB       VAL  41   5.589   1.995   1.995
  273   1HG1  VAL  41          HG11      VAL  41   7.407   2.656   2.656
  274   2HG1  VAL  41          HG13      VAL  41   7.663   4.012   4.012
  275   3HG1  VAL  41          HG12      VAL  41   7.862   2.358   2.358
  276   1HG2  VAL  41          HG21      VAL  41   4.470   4.152   4.152
  277   2HG2  VAL  41          HG23      VAL  41   6.004   3.799   3.799
  278   3HG2  VAL  41          HG22      VAL  41   5.938   4.995   4.995
  279    HA   PRO  42           HA       PRO  42   0.948   2.061   2.061
  280   1HB   PRO  42           HB2      PRO  42   0.996  -0.547  -0.547
  281   2HB   PRO  42           HB1      PRO  42   0.882  -0.093  -0.093
  282   1HG   PRO  42           HG2      PRO  42   3.040  -1.397  -1.397
  283   2HG   PRO  42           HG1      PRO  42   2.939  -0.900  -0.900
  284   1HD   PRO  42           HD2      PRO  42   4.321   0.417   0.417
  285   2HD   PRO  42           HD1      PRO  42   4.590   0.589   0.589
  286    H    TRP  43           HN       TRP  43  -0.144   2.860   2.860
  287    HA   TRP  43           HA       TRP  43   1.128   2.873   2.873
  288   1HB   TRP  43           HB2      TRP  43  -1.678   3.739   3.739
  289   2HB   TRP  43           HB1      TRP  43  -0.788   4.191   4.191
  290    HD1  TRP  43           HD1      TRP  43   2.009   4.879   4.879
  291    HE1  TRP  43           HE1      TRP  43   2.275   6.978   6.978
  292    HE3  TRP  43           HE3      TRP  43  -2.859   5.634   5.634
  293    HZ2  TRP  43           HZ2      TRP  43   0.640   8.743   8.743
  294    HZ3  TRP  43           HZ3      TRP  43  -3.476   7.527   7.527
  295    HH2  TRP  43           HH2      TRP  43  -1.735   9.082   9.082
  296    H    CYS  44           HN       CYS  44  -1.657   1.178   1.178
  297    HA   CYS  44           HA       CYS  44  -2.207  -0.196  -0.196
  298   1HB   CYS  44           HB2      CYS  44  -4.020   0.582   0.582
  299   2HB   CYS  44           HB1      CYS  44  -3.467  -0.658  -0.658
  300    H    PHE  45           HN       PHE  45  -0.610  -1.742  -1.742
  301    HA   PHE  45           HA       PHE  45  -0.194  -3.787  -3.787
  302   1HB   PHE  45           HB2      PHE  45   2.179  -3.932  -3.932
  303   2HB   PHE  45           HB1      PHE  45   1.786  -2.291  -2.291
  304    HD1  PHE  45           HD1      PHE  45   0.990  -0.716  -0.716
  305    HD2  PHE  45           HD2      PHE  45   3.458  -4.202  -4.202
  306    HE1  PHE  45           HE1      PHE  45   1.861   0.148   0.148
  307    HE2  PHE  45           HE2      PHE  45   4.333  -3.342  -3.342
  308    HZ   PHE  45           HZ       PHE  45   3.532  -1.166  -1.166
  309    H    TYR  46           HN       TYR  46   1.035  -5.770  -5.770
  310    HA   TYR  46           HA       TYR  46  -0.764  -6.676  -6.676
  311   1HB   TYR  46           HB2      TYR  46   1.641  -7.818  -7.818
  312   2HB   TYR  46           HB1      TYR  46   0.982  -8.623  -8.623
  313    HD1  TYR  46           HD2      TYR  46  -1.471  -9.287  -9.287
  314    HD2  TYR  46           HD1      TYR  46   0.569  -7.991  -7.991
  315    HE1  TYR  46           HE2      TYR  46  -3.260 -10.288 -10.288
  316    HE2  TYR  46           HE1      TYR  46  -1.220  -8.993  -8.993
  317    HH   TYR  46           HH       TYR  46  -3.964  -9.565  -9.565
  318    HA   PRO  47           HA       PRO  47   1.815  -5.784  -5.784
  319   1HB   PRO  47           HB2      PRO  47   0.918  -7.787  -7.787
  320   2HB   PRO  47           HB1      PRO  47  -0.004  -6.327  -6.327
  321   1HG   PRO  47           HG2      PRO  47  -0.589  -9.039  -9.039
  322   2HG   PRO  47           HG1      PRO  47  -1.523  -7.579  -7.579
  323   1HD   PRO  47           HD2      PRO  47   0.383  -9.058  -9.058
  324   2HD   PRO  47           HD1      PRO  47  -0.936  -7.960  -7.960
  325    H    ASN  48           HN       ASN  48   3.324  -6.896  -6.896
  326    HA   ASN  48           HA       ASN  48   4.614  -9.320  -9.320
  327   1HB   ASN  48           HB2      ASN  48   5.972  -6.673  -6.673
  328   2HB   ASN  48           HB1      ASN  48   6.852  -8.195  -8.195
  329   1HD2  ASN  48          HD22      ASN  48   5.053  -6.662  -6.662
  330   2HD2  ASN  48          HD21      ASN  48   4.442  -6.241  -6.241
  331    H    THR  49           HN       THR  49   3.914 -10.526 -10.526
  332    HA   THR  49           HA       THR  49   4.265  -9.505  -9.505
  333    HB   THR  49           HB       THR  49   3.564 -11.769 -11.769
  334    HG1  THR  49           HG1      THR  49   3.086 -12.632 -12.632
  335   1HG2  THR  49          HG21      THR  49   2.002  -9.919  -9.919
  336   2HG2  THR  49          HG23      THR  49   1.810 -11.154 -11.154
  337   3HG2  THR  49          HG22      THR  49   1.367 -11.507 -11.507
  338    H    ILE  50           HN       ILE  50   6.050  -9.752  -9.752
  339    HA   ILE  50           HA       ILE  50   8.163 -11.618 -11.618
  340    HB   ILE  50           HB       ILE  50   8.610  -8.885  -8.885
  341   1HG1  ILE  50          HG12      ILE  50   9.046  -9.774  -9.774
  342   2HG1  ILE  50          HG11      ILE  50   7.664  -8.819  -8.819
  343   1HG2  ILE  50          HG22      ILE  50  10.277 -10.987 -10.987
  344   2HG2  ILE  50          HG21      ILE  50  10.701 -10.409 -10.409
  345   3HG2  ILE  50          HG23      ILE  50  10.866  -9.338  -9.338
  346   1HD1  ILE  50          HD13      ILE  50   9.646  -7.338  -7.338
  347   2HD1  ILE  50          HD12      ILE  50  10.514  -8.021  -8.021
  348   3HD1  ILE  50          HD11      ILE  50   9.047  -7.079  -7.079
  349    H    ASP  51           HN       ASP  51   9.192 -12.801 -12.801
  350    HA   ASP  51           HA       ASP  51   8.838 -12.091 -12.091
  351   1HB   ASP  51           HB2      ASP  51   7.625 -14.204 -14.204
  352   2HB   ASP  51           HB1      ASP  51   6.651 -13.091 -13.091
  353    H    VAL  52           HN       VAL  52   9.578 -14.282 -14.282
  354    HA   VAL  52           HA       VAL  52  12.173 -14.940 -14.940
  355    HB   VAL  52           HB       VAL  52  12.664 -15.881 -15.881
  356   1HG1  VAL  52          HG11      VAL  52  11.603 -13.049 -13.049
  357   2HG1  VAL  52          HG13      VAL  52  12.528 -13.653 -13.653
  358   3HG1  VAL  52          HG12      VAL  52  13.269 -13.582 -13.582
  359   1HG2  VAL  52          HG23      VAL  52   9.806 -15.001 -15.001
  360   2HG2  VAL  52          HG22      VAL  52  10.521 -16.582 -16.582
  361   3HG2  VAL  52          HG21      VAL  52  10.946 -15.204 -15.204
  362    HA   PRO  53           HA       PRO  53  11.198 -18.933 -18.933
  363   1HB   PRO  53           HB2      PRO  53  13.369 -20.189 -20.189
  364   2HB   PRO  53           HB1      PRO  53  13.238 -19.860 -19.860
  365   1HG   PRO  53           HG2      PRO  53  14.679 -18.382 -18.382
  366   2HG   PRO  53           HG1      PRO  53  14.773 -18.245 -18.245
  367   1HD   PRO  53           HD2      PRO  53  13.683 -16.315 -16.315
  368   2HD   PRO  53           HD1      PRO  53  13.212 -16.562 -16.562
  369    HA   PRO  54           HA       PRO  54  11.273 -21.533 -21.533
  370   1HB   PRO  54           HB2      PRO  54  10.844 -19.208 -19.208
  371   2HB   PRO  54           HB1      PRO  54  11.956 -20.569 -20.569
  372   1HG   PRO  54           HG2      PRO  54  12.518 -17.922 -17.922
  373   2HG   PRO  54           HG1      PRO  54  13.643 -19.260 -19.260
  374   1HD   PRO  54           HD2      PRO  54  13.026 -18.228 -18.228
  375   2HD   PRO  54           HD1      PRO  54  13.666 -19.856 -19.856
  376    H    GLU  55           HN       GLU  55   9.540 -18.419 -18.419
  377    HA   GLU  55           HA       GLU  55   7.041 -19.781 -19.781
  378   1HB   GLU  55           HB2      GLU  55   7.918 -17.436 -17.436
  379   2HB   GLU  55           HB1      GLU  55   7.185 -16.858 -16.858
  380   1HG   GLU  55           HG2      GLU  55   5.045 -17.386 -17.386
  381   2HG   GLU  55           HG1      GLU  55   5.584 -18.728 -18.728
  382    H    GLU  56           HN       GLU  56   5.042 -19.152 -19.152
  383    HA   GLU  56           HA       GLU  56   5.693 -18.653 -18.653
  384   1HB   GLU  56           HB2      GLU  56   4.163 -21.028 -21.028
  385   2HB   GLU  56           HB1      GLU  56   4.099 -20.530 -20.530
  386   1HG   GLU  56           HG2      GLU  56   6.692 -20.624 -20.624
  387   2HG   GLU  56           HG1      GLU  56   6.452 -21.581 -21.581
  388    H    GLU  57           HN       GLU  57   4.153 -17.362 -17.362
  389    HA   GLU  57           HA       GLU  57   1.827 -16.611 -16.611
  390   1HB   GLU  57           HB2      GLU  57   3.405 -15.234 -15.234
  391   2HB   GLU  57           HB1      GLU  57   1.744 -14.735 -14.735
  392   1HG   GLU  57           HG2      GLU  57   2.369 -14.496 -14.496
  393   2HG   GLU  57           HG1      GLU  57   4.046 -14.787 -14.787
  394    H    SER  58           HN       SER  58  -0.236 -17.119 -17.119
  395    HA   SER  58           HA       SER  58  -0.481 -18.638 -18.638
  396   1HB   SER  58           HB2      SER  58  -2.841 -19.005 -19.005
  397   2HB   SER  58           HB1      SER  58  -1.550 -19.665 -19.665
  398    HG   SER  58           HG       SER  58  -2.964 -17.227 -17.227
  399    H    GLU  59           HN       GLU  59  -2.191 -18.088 -18.088
  400    HA   GLU  59           HA       GLU  59  -3.030 -15.248 -15.248
  401   1HB   GLU  59           HB2      GLU  59  -1.058 -15.717 -15.717
  402   2HB   GLU  59           HB1      GLU  59  -2.202 -16.632 -16.632
  403   1HG   GLU  59           HG2      GLU  59  -3.564 -14.701 -14.701
  404   2HG   GLU  59           HG1      GLU  59  -2.704 -13.773 -13.773
  405    H    PHE  60           HN       PHE  60  -5.178 -14.907 -14.907
  406    HA   PHE  60           HA       PHE  60  -6.613 -17.033 -17.033
  407   1HB   PHE  60           HB2      PHE  60  -6.775 -17.427 -17.427
  408   2HB   PHE  60           HB1      PHE  60  -7.676 -15.913 -15.913
  409    HD1  PHE  60           HD1      PHE  60  -7.624 -19.225 -19.225
  410    HD2  PHE  60           HD2      PHE  60  -9.983 -15.869 -15.869
  411    HE1  PHE  60           HE1      PHE  60  -9.687 -20.412 -20.412
  412    HE2  PHE  60           HE2      PHE  60 -12.047 -17.058 -17.058
  413    HZ   PHE  60           HZ       PHE  60 -11.898 -19.329 -19.329