*HEADER    APOPTOSIS                               10-AUG-09   2KMZ              
*TITLE     NMR STRUCTURE OF HFN14                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TUMOR NECROSIS FACTOR RECEPTOR SUPERFAMILY MEMBER 12A;     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CRD, RESIDUES 28-80;                                       
*COMPND   5 SYNONYM: FIBROBLAST GROWTH FACTOR-INDUCIBLE IMMEDIATE-EARLY RESPONSE 
*COMPND   6 PROTEIN 14, FGF-INDUCIBLE 14, TWEAK-RECEPTOR, TWEAKR;                
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: FN14, TNFRSF12A;                                               
*SOURCE   6 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 4922                                        
*KEYWDS    FN14, TWEAK, TNF RECEPTOR, CRD, TNFRSF12A, ANGIOGENESIS, APOPTOSIS,   
*KEYWDS   2 CELL ADHESION, DEVELOPMENTAL PROTEIN, DIFFERENTIATION, DISULFIDE     
*KEYWDS   3 BOND, MEMBRANE, RECEPTOR, TRANSMEMBRANE                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.PELLEGRINI, L.WILLEN, M.PERROUD, D.KRUSHINSKIE, K.STRAUCH,          
*AUTHOR   2 H.CUERVO, Y.SUN, E.S.DAY, P.SCHNEIDER, T.S.ZHENG                     
*REVDAT   1   29-JUN-11 2KMZ    0                                                


! Thr6                    
assign ( resid 6 and name hn) ( resid 6 and name ha) 3.5 1.7 0.7       
! Ala7                    
assign ( resid 7 and name hn) ( resid 6 and name ha) 3 1.2 0.4       
assign ( resid 7 and name hn) ( resid 6 and name hb) 3.5 1.7 0.7       
assign (resid 7 and name ha) (resid 6 and name hg#) 3 1.2 1.4       
assign ( resid 7 and name hn) ( resid 7 and name hb#) 3 1.2 0.4       
assign ( resid 7 and name hn) ( resid 7 and name ha) 3.5 1.7 0.7       
! Cys9                    
assign ( resid 9 and name hn) ( resid 7 and name hb#) 3.5 1.7 0.7       
assign ( resid 9 and name hn) ( resid 8 and name ha) 2.4 0.6 0.4       
assign ( resid 9 and name hn) ( resid 8 and name hd#) 3.5 1.7 0.7       
assign ( resid 9 and name hn) ( resid 9 and name ha) 2.4 0.6 0.4       
assign ( resid 9 and name hn) ( resid 9 and name hb#) 3.5 1.7 0.7       
! Ser13                    
assign ( resid 13 and name hn) ( resid 13 and name hb#) 2.4 0.6 0.4       
assign ( resid 13 and name hn) ( resid 13 and name ha) 3 1.2 0.4       
assign (resid 13 and name hb#) (resid 25 and name hn) 3.5 1.7 0.7       
! Ser14                    
assign ( resid 14 and name hn) ( resid 13 and name ha) 2.4 0.6 0.4       
assign ( resid 14 and name hn) ( resid 14 and name hb#) 2.4 0.6 0.4       
assign (resid 14 and name ha) (resid 14 and name hn) 2.4 0.6 0.4       
!assign ( resid 14 and name hn) ( resid 22 and name ha) 3 1.2 0.4       
assign ( resid 14 and name hn) ( resid 23 and name hn) 3 1.2 0.4       
assign (resid 14 and name hb#) (resid 23 and name hb#) 3 1.2 3       
! Trp15                    
!!assign ( resid 15 and name hn) ( resid 9 and name hb#) 3.5 1.7 0.7       
assign ( resid 15 and name hn) ( resid 14 and name ha) 2.4 0.6 0.4       
assign ( resid 15 and name hn) ( resid 15 and name hb#) 2.4 0.6 0.4       
assign ( resid 15 and name hn) ( resid 15 and name ha) 3 1.2 0.4       
!assign ( resid 15 and name hn) ( resid 15 and name hd1) 3.5 1.7 0.7       
!assign ( resid 15 and name hn) ( resid 15 and name hz2) 3.5 1.7 0.7       
!assign (resid 15 and name ha) (resid 15 and name hz2) 2.4 0.6 0.4       
!assign (resid 15 and name hb#) (resid 15 and name hn) 2.4 0.6 0.4       
!assign (resid 15 and name he3) (resid 15 and name hz3) 2.4 0.6 0.4       
!assign (resid 15 and name hz3) (resid 15 and name he3) 2.4 0.6 0.4       
assign ( resid 15 and name hn) ( resid 14 and name hb#) 3.5 1.7 0.7       
!!assign ( resid 15 and name hn) ( resid 16 and name hn) 3.5 1.7 1.5       
! Ser16                    
assign ( resid 16 and name hn) ( resid 15 and name ha) 2.4 0.6 0.4       
assign ( resid 16 and name hn) ( resid 15 and name hz2) 2.4 0.6 2.4       
assign ( resid 16 and name hn) ( resid 15 and name hb#) 3.5 1.7 0.7       
assign ( resid 16 and name hn) ( resid 15 and name hd1) 3.5 1.7 1.7       
!assign (resid 16 and name ha) (resid 15 and name aro) 2.4 0.6 0.4      hd#} 
!!assign (resid 16 and name hb#) (resid 15 and name hd1) 2.4 0.6 1.4       
assign ( resid 16 and name hn) ( resid 16 and name ha) 2.4 0.6 0.4       
assign ( resid 16 and name hn) ( resid 16 and name hb#) 2.4 0.6 1       
assign ( resid 16 and name hn) ( resid 17 and name hn) 3.5 1.7 1.5       
!assign (resid 16 and name ha) (resid 17 and name hb#) 3 1.2 0.4       
assign (resid 16 and name ha) (resid 18 and name hn) 3 1.2 1.2       
assign (resid 16 and name hb#) (resid 21 and name hn) 3 1.2 1.2       
assign (resid 16 and name hn) (resid 21 and name hn) 2.4 0.6 0.9       
assign ( resid 16 and name hn) ( resid 22 and name ha) 3 1.2 0.2       
assign (resid 16 and name hb#) (resid 36 and name he#) 3 1.2 2.4       
assign (resid 16 and name ha) (resid 36 and name hb#) 3 1.2 0.4      2d 
!assign (resid 16 and name ha) (resid 36 and name hn) 2.4 0.6 1.4      2d 
!assign (resid 16 and name hb#) (resid 36 and name hb#) 2.4 0.6 0.4      2d 
! Ala17                    
assign ( resid 17 and name hn) ( resid 15 and name hd1) 3.5 1.7 1.7       
assign ( resid 17 and name hn) ( resid 15 and name he1) 3.5 1.7 1.7       
!assign (resid 17 and name ha) (resid 15 and name he3) 3 1.2 3.4       
assign (resid 17 and name ha) (resid 15 and name he1) 2.4 0.6 2.4       
assign (resid 17 and name hb#) (resid 15 and name hd1) 2.4 0.6 2.4       
assign (resid 17 and name hb#) (resid 15 and name he1) 2.4 0.6 2.4       
assign ( resid 17 and name hn) ( resid 16 and name ha) 2.4 0.6 0.4       
assign ( resid 17 and name hn) ( resid 16 and name hb#) 3 1.2 0.4       
!assign ( resid 17 and name hn) ( resid 16 and name hb2) 3 1.2 0.4       
!assign ( resid 17 and name hn) ( resid 16 and name hn) 3.5 1.7 0.7       
assign ( resid 17 and name hn) ( resid 17 and name hb#) 2.4 0.6 1       
assign ( resid 17 and name hn) ( resid 17 and name ha) 3 1.2 0.4       
assign (resid 17 and name hb#) (resid 18 and name hn) 2.4 0.6 1       
assign (resid 17 and name hn) (resid 18 and name hn) 2.4 0.6 0.4       
!assign ( resid 17 and name hn) ( resid 36 and name hb#) 3.5 1.7 0.7       
assign ( resid 17 and name ha) ( resid 21 and name hn) 3.5 1.2 0.7       
! Asp18                    
assign ( resid 18 and name hn) ( resid 17 and name hb#) 3 1.2 0.4       
!assign ( resid 18 and name hn) ( resid 17 and name hn) 3 1.2 0.4       
assign ( resid 18 and name hn) ( resid 18 and name hb#) 2.4 0.6 0.4       
assign ( resid 18 and name hn) ( resid 18 and name ha) 3 1.2 0.4       
assign (resid 18 and name ha) (resid 18 and name hn) 2.4 0.6 0.4      2d 
assign (resid 18 and name hb#) (resid 18 and name hn) 2.4 0.6 0.4       
assign (resid 18 and name hn) (resid 19 and name hn) 2.4 0.6 0.4       
!!assign ( resid 18 and name hn) ( resid 20 and name hn) 3.5 1.7 0.7       
! Leu19                    
!assign ( resid 19 and name hn) ( resid 16 and name hb2) 2.4 0.6 0.4       
assign ( resid 19 and name hn) ( resid 16 and name hb#) 3 1.2 0.4       
!assign ( resid 19 and name hn) ( resid 17 and name hb#) 3 1.2 1.4       
assign ( resid 19 and name hn) ( resid 17 and name hn) 3.5 1.7 0.7       
assign ( resid 19 and name hn) ( resid 18 and name hb#) 3 1.2 0.4       
!assign ( resid 19 and name hn) ( resid 18 and name hn) 3 1.2 0.4       
!assign (resid 19 and name hn) (resid 18 and name hn) 2.4 0.6 0.4       
assign ( resid 19 and name hn) ( resid 19 and name hb#) 2.4 0.6 1.4       
assign ( resid 19 and name hn) ( resid 19 and name ha) 3 1.2 0.4       
!assign ( resid 19 and name hn) ( resid 19 and name hd1#) 3.5 1.7 0.7       
!assign ( resid 19 and name hn) ( resid 19 and name hd2#) 3.5 1.7 0.7       
assign ( resid 19 and name hn) ( resid 20 and name hn) 2.4 0.6 0.4       
assign ( resid 19 and name hn) ( resid 20 and name ha) 3.5 1.7 0.7       
assign (resid 19 and name hb#) (resid 21 and name hn) 3 1.2 2.2       
! Asp20                    
!assign (resid 20 and name ha) (resid 15 and name he1) 3 1.2 1.2       
!assign (resid 20 and name ha) (resid 15 and name hd1) 2.4 0.6 2.6       
assign (resid 20 and name ha) (resid 15 and name he3) 2.4 0.6 2.6       
!!assign ( resid 20 and name hn) ( resid 16 and name hb#) 3.5 1.7 0.7      b} 
! tmp assign ( resid 20 and name hn) ( resid 17 and name hb#) 3.5 1.7 0.7       
!assign ( resid 20 and name hn) ( resid 18 and name hn) 3.5 1.7 0.7       
assign ( resid 20 and name hn) ( resid 19 and name ha) 2.4 0.6 0.6       
!assign ( resid 20 and name hn) ( resid 19 and name hb1) 2.4 0.6 0.4       
!assign ( resid 20 and name hn) ( resid 19 and name hn) 2.4 0.6 0.4       
assign ( resid 20 and name hn) ( resid 19 and name hb#) 3.5 1.7 0.7       
assign ( resid 20 and name hn) ( resid 20 and name ha) 2.4 0.6 0.4       
!assign ( resid 20 and name hn) ( resid 20 and name hb2) 3 1.2 0.4       
assign ( resid 20 and name hn) ( resid 20 and name hb#) 3.5 1.7 0.7       
assign ( resid 20 and name hn) ( resid 21 and name hn) 3 1.2 0.4       
assign (resid 20 and name ha) (resid 21 and name hn) 2.4 0.6 0.4       
! Lys21                    
!assign ( resid 21 and name hn) ( resid 15 and name hd1) 3 1.2 1.2       
assign ( resid 21 and name hn) ( resid 15 and name he3) 3.5 1.7 0.9       
!assign (resid 21 and name hn) (resid 15 and name he3) 3 1.2 2.2       2d
!assign (resid 21 and name ha) (resid 15 and name aro) 2.4 0.6 1.4      hd#} 2d
!assign (resid 21 and name hn) (resid 15 and name hd1) 2.4 0.6 1.8      hz3} 2d
assign (resid 21 and name hn) (resid 15 and name hz2) 2.4 0.6 1.8       2d
assign ( resid 21 and name hn) ( resid 16 and name hb#) 3 1.2 1.2       
!assign ( resid 21 and name hn) ( resid 16 and name hb2) 3 1.2 0.4       
assign ( resid 21 and name hn) ( resid 16 and name hn) 3 1.2 0.4       
!assign (resid 21 and name hn) (resid 16 and name hn) 2.4 0.6 0.4       
!assign ( resid 21 and name hn) ( resid 17 and name hn) 3.5 1.7 0.7      n80} 
assign ( resid 21 and name hn) ( resid 19 and name hd1#) 3 1.2 1.2       
assign ( resid 21 and name hn) ( resid 20 and name ha) 2.4 0.6 0.4       
!assign ( resid 21 and name hn) ( resid 20 and name hn) 3 1.2 0.4       
assign ( resid 21 and name hn) ( resid 20 and name hb#) 3.5 1.7 0.7       
!assign ( resid 21 and name hn) ( resid 20 and name hb2) 3.5 1.7 0.7       
!assign (resid 21 and name hn) (resid 20 and name hn) 2.4 0.6 0.4       
assign ( resid 21 and name hn) ( resid 21 and name ha) 2.4 0.6 0.4       
!assign ( resid 21 and name hn) ( resid 21 and name hb2) 3 1.2 0.4       
assign ( resid 21 and name hn) ( resid 21 and name hb#) 3.5 1.7 0.7       
assign ( resid 21 and name hn) ( resid 21 and name hg#) 3.5 1.7 0.7      hd2#} 
assign ( resid 21 and name hn) ( resid 22 and name hn) 3.5 1.7 1.5       
! Cys22                    
!assign (resid 22 and name ha) (resid 9 and name hb#) 2.4 0.6 1.8       
assign (resid 22 and name ha) (resid 15 and name ha) 2 0.2 0.3       
!assign ( resid 22 and name hn) ( resid 15 and name hh2) 3 1.2 2.2       
!assign ( resid 22 and name hn) ( resid 15 and name hz2) 3.5 1.7 1.7       
!assign (resid 22 and name ha) (resid 15 and name hn) 3 1.2 0.4       
assign ( resid 22 and name hn) ( resid 21 and name ha) 2.4 0.6 0.4       
assign ( resid 22 and name hn) ( resid 21 and name hb#) 3 1.2 0.4       
assign ( resid 22 and name hn) ( resid 21 and name hg#) 3.5 1.7 0.7       
!assign ( resid 22 and name hn) ( resid 21 and name hn) 3.5 1.7 0.7       
assign ( resid 22 and name hn) ( resid 22 and name ha) 3 1.2 0.4       
!assign ( resid 22 and name hn) ( resid 22 and name hb#) 3 1.2 0.4       
!assign (resid 22 and name ha) (resid 23 and name hb#) 3 1.2 0.4      2d 
!assign (resid 22 and name hn) (resid 23 and name hn) 2.4 0.6 1.8      2d 
! Met23                    
!assign ( resid 23 and name hn) ( resid 14 and name hn) 3 1.2 0.4       
assign ( resid 23 and name hn) ( resid 15 and name ha) 3 1.2 0.4       
assign ( resid 23 and name hn) ( resid 14 and name hb#) 3 1.2 1.8       
assign ( resid 23 and name hn) ( resid 22 and name hb#) 3.5 1.7 0.7       
assign ( resid 23 and name hn) ( resid 23 and name ha) 2.4 0.6 0.4       
assign ( resid 23 and name hn) ( resid 23 and name hb#) 3 1.2 0.4       
assign ( resid 23 and name hn) ( resid 23 and name hg#) 3 1.2 1.2       
assign (resid 23 and name hb#) (resid 36 and name hz) 3 1.2 1.4       
assign (resid 23 and name hg#) (resid 36 and name hd#) 3 1.2 1.4       
assign (resid 23 and name hg#) (resid 36 and name he#) 3 1.2 1.4       
assign (resid 23 and name hg#) (resid 36 and name hz) 3 1.2 1.4       
assign (resid 23 and name hb#) (resid 36 and name hd#) 2.4 0.6 1.8       
assign (resid 23 and name hb#) (resid 36 and name he#) 2.4 0.6 1.8       
assign (resid 23 and name he#) (resid 36 and name he#) 2.4 0.6 1.8       
assign (resid 23 and name he#) (resid 36 and name hz) 2.4 0.6 1.4       
!assign (resid 23 and name hg#) (resid 36 and name hd#) 2.4 0.6 0.4       
!assign (resid 23 and name hg#) (resid 36 and name he#) 2.4 0.6 0.4       
! Asp24                    
!assign ( resid 24 and name hn) ( resid 13 and name ha) 3.5 1.7 0.7       
assign (resid 24 and name ha) (resid 13 and name ha) 2 0.6 1       
assign (resid 24 and name ha) (resid 14 and name hn) 2.8 1.2 0.4       
assign ( resid 24 and name hn) ( resid 23 and name ha) 2.4 0.6 0.4       
assign ( resid 24 and name hn) ( resid 23 and name hg#) 3 1.2 0.4       
assign ( resid 24 and name hn) ( resid 23 and name hb#) 3.5 1.7 0.7       
!assign ( resid 24 and name hn) ( resid 23 and name hg2) 3.5 1.7 0.7       
!assign ( resid 24 and name hn) ( resid 23 and name hn) 3.5 1.7 0.7       
assign ( resid 24 and name hn) ( resid 24 and name ha) 2.4 0.6 0.4       
assign ( resid 24 and name hn) ( resid 24 and name hb#) 2.4 0.6 0.4       
!!assign ( resid 24 and name hn) ( resid 25 and name hn) 3.5 1.7 0.7       
!assign (resid 24 and name hb#) (resid 25 and name hn) 3 1.2 0.4       
assign (resid 24 and name ha) (resid 25 and name hn) 2.4 0.6 0.4       
assign (resid 24 and name ha) (resid 26 and name hn) 3.5 1.7 0.7       
assign (resid 24 and name hb#) (resid 26 and name hn) 3.5 1.7 0.7       
! Cys25                    
assign ( resid 25 and name hn) ( resid 13 and name ha) 2.4 0.8 0.8       
assign ( resid 25 and name hn) ( resid 13 and name hb#) 3.5 1.7 1.5       
!assign ( resid 25 and name hn) ( resid 24 and name ha) 2.4 0.6 0.4       
assign ( resid 25 and name hn) ( resid 24 and name hb#) 3.5 1.7 0.7       
!assign ( resid 25 and name hn) ( resid 25 and name hb#) 2.4 0.6 0.4       
assign ( resid 25 and name hn) ( resid 25 and name hb#) 3 1.2 0.4       
assign (resid 25 and name ha) (resid 25 and name hn) 2.4 0.6 1      2d 
!assign (resid 25 and name hb#) (resid 25 and name hn) 2.4 0.6 0.4      2d 
assign ( resid 25 and name hn) ( resid 26 and name hn) 3 1.2 0.4       
!assign ( resid 25 and name hn) ( resid 26 and name hb#) 3.5 1.7 0.7       
assign (resid 25 and name hb#) (resid 26 and name hn) 3 1.2 0.4       
assign (resid 25 and name hn) (resid 26 and name hn) 3 1.2 0.4       
!assign (resid 25 and name ha) (resid 36 and name he#) 2.4 0.6 2.6       
! Ala26                    
!assign ( resid 26 and name hn) ( resid 24 and name hb1) 3.5 1.7 0.7       
!assign ( resid 26 and name hn) ( resid 25 and name hb1) 3 1.2 0.4       
!assign ( resid 26 and name hn) ( resid 25 and name hb2) 3.5 1.7 0.7       
!assign ( resid 26 and name hn) ( resid 25 and name hn) 3.5 1.7 0.7       
!assign (resid 26 and name hn) (resid 25 and name hn) 2.4 0.6 0.4       
assign ( resid 26 and name hn) ( resid 26 and name hb#) 3 1.2 0.4       
assign ( resid 26 and name hn) ( resid 26 and name ha) 3.5 1.7 0.7       
!assign (resid 26 and name ha) (resid 26 and name hn) 2.4 0.6 0.4       
assign ( resid 26 and name hn) ( resid 27 and name hn) 3.5 1.7 0.7       
! Ser27                    
assign ( resid 27 and name hn) ( resid 26 and name hb#) 3.5 1.7 0.7       
!assign ( resid 27 and name hn) ( resid 26 and name hn) 3.5 1.7 0.7      only?} 
!assign (resid 27 and name hn) (resid 26 and name hn) 3 1.2 0.4       
assign ( resid 27 and name hn) ( resid 27 and name ha) 2.4 0.6 0.4       
assign ( resid 27 and name hn) ( resid 27 and name hb#) 3 1.2 0.4       
assign ( resid 27 and name hn) ( resid 28 and name hn) 3.5 1.7 0.7       
!assign (resid 27 and name ha) (resid 36 and name he#) 3.5 1.7 0.7       2d
assign (resid 27 and name hb#) (resid 36 and name he#) 2.4 0.6 1.8       2d
assign (resid 27 and name hb#) (resid 36 and name hz) 2.4 0.6 1.4      ha} 2d
! Cys28                    
assign ( resid 28 and name hn) ( resid 26 and name hb#) 3.5 1.7 1.7       
!assign ( resid 28 and name hn) ( resid 27 and name hn) 3 1.2 0.4       
assign ( resid 28 and name hn) ( resid 27 and name ha) 3.5 1.7 0.7       
assign ( resid 28 and name hn) ( resid 28 and name ha) 2.4 0.6 0.4       
assign ( resid 28 and name hn) ( resid 28 and name hb#) 2.4 0.6 0.4       
assign ( resid 28 and name hn) ( resid 29 and name hn) 3 1.2 0.4      s-s?} 
assign (resid 28 and name ha) (resid 29 and name hn) 2.4 0.6 0.4       
!assign ( resid 28 and name hn) ( resid 36 and name he#) 3.5 1.7 0.7      aro (7H?)}
! Arg29                    
assign ( resid 29 and name hn) ( resid 27 and name ha) 3.5 1.7 0.7      helix?} 
!assign ( resid 29 and name hn) ( resid 28 and name hn) 3 1.2 0.4       
assign ( resid 29 and name hn) ( resid 28 and name hb#) 3.5 1.7 0.7       
!assign (resid 29 and name hn) (resid 28 and name hn) 2.4 0.6 0.4       
assign ( resid 29 and name hn) ( resid 29 and name hb#) 2.4 0.6 0.4       
assign ( resid 29 and name hn) ( resid 29 and name ha) 3 1.2 0.4       
!assign ( resid 29 and name hn) ( resid 30 and name hb#) 3.5 1.7 0.7       
! Arg31                    
assign ( resid 31 and name hn) ( resid 28 and name ha) 3 1.2 0.4       
assign ( resid 31 and name hn) ( resid 30 and name hb#) 2.4 0.6 0.4       
assign ( resid 31 and name hn) ( resid 30 and name ha) 3.5 1.7 0.7       
assign ( resid 31 and name hn) ( resid 31 and name hb#) 2.4 0.6 0.4       
assign ( resid 31 and name hn) ( resid 31 and name ha) 3 1.2 0.4       
assign ( resid 31 and name hn) ( resid 31 and name hd#) 3 1.2 0.4       
!assign ( resid 31 and name hn) ( resid 32 and name hd#) 3.5 1.7 0.7       
!assign (resid 31 and name ha) (resid 32 and name hd1) 2.4 0.6 0.4       
!assign (resid 31 and name ha) (resid 32 and name hd2) 2.4 0.6 0.4       
! Pro32                    
! His33                    
assign ( resid 33 and name hn) ( resid 32 and name ha) 2.4 0.6 0.4       
assign ( resid 33 and name hn) ( resid 32 and name hb#) 3.5 1.7 0.7       
assign ( resid 33 and name hn) ( resid 33 and name ha) 3 1.2 0.4       
assign ( resid 33 and name hn) ( resid 33 and name hb#) 3 1.2 0.4       
assign ( resid 33 and name hn) ( resid 34 and name hn) 3 1.2 0.4       
assign (resid 33 and name ha) (resid 34 and name hn) 2.4 0.6 0.4       
! Ser34                    
!assign ( resid 34 and name hn) ( resid 31 and name hb#) 3 1.2 0.4       
assign ( resid 34 and name hn) ( resid 32 and name ha) 2.4 0.6 1.8       
assign ( resid 34 and name hn) ( resid 33 and name ha) 3 1.2 0.4       
!assign ( resid 34 and name hn) ( resid 33 and name hn) 3 1.2 0.4       
assign (resid 34 and name hn) (resid 33 and name hn) 2.4 0.6 0.4       
assign ( resid 34 and name hn) ( resid 34 and name ha) 3 1.2 0.4       
assign ( resid 34 and name hn) ( resid 34 and name hb#) 3 1.2 0.4       
assign (resid 34 and name ha) (resid 34 and name hn) 2.4 0.6 0.4       
assign ( resid 34 and name hn) ( resid 35 and name hn) 3.5 1.7 0.7       
assign (resid 34 and name hb#) (resid 35 and name hn) 3 1.2 0.4       
assign (resid 34 and name ha) (resid 35 and name hn) 2.4 0.6 0.4       
assign (resid 34 and name hb#) (resid 36 and name hz) 3 1.2 1.4       
assign (resid 34 and name hb#) (resid 36 and name he#) 2.4 0.6 1.4       
assign (resid 34 and name hb#) (resid 36 and name hn) 2.4 0.6 0.4       
assign (resid 34 and name hb#) (resid 37 and name hn) 3 1.2 0.8       
! Asp35                    
assign ( resid 35 and name hn) ( resid 34 and name ha) 3 1.2 0.4      n200} 
assign ( resid 35 and name hn) ( resid 35 and name hb#) 3.5 1.7 0.7       
assign (resid 35 and name ha) (resid 35 and name hn) 2.4 0.6 0.4       
assign ( resid 35 and name hn) ( resid 36 and name hn) 3.5 1.7 0.7      assign only}
! Phe36                    
assign ( resid 36 and name hn) ( resid 16 and name ha) 2.4 0.6 1       
assign ( resid 36 and name hn) ( resid 16 and name hb#) 2.4 0.6 1       
!assign (resid 36 and name he#) (resid 28 and name hn) 3 1.2 1.4       
assign ( resid 36 and name hn) ( resid 34 and name hb#) 3 1.2 0.4       
assign ( resid 36 and name hn) ( resid 35 and name ha) 3.5 1.7 0.7       
!assign ( resid 36 and name hn) ( resid 35 and name hn) 3.5 1.7 0.7       
assign (resid 36 and name hn) (resid 35 and name hn) 3 1.2 0.4       
assign ( resid 36 and name hn) ( resid 36 and name hd#) 2.4 0.6 0.4       
assign ( resid 36 and name hn) ( resid 36 and name ha) 3 1.2 0.4       
assign ( resid 36 and name hn) ( resid 36 and name hb#) 3 1.2 0.4       
!assign ( resid 36 and name hn) ( resid 37 and name hn) 3 1.2 0.4       
!assign (resid 36 and name ha) (resid 37 and name hn) 2.4 0.6 1       
! Cys37                    
assign ( resid 37 and name hn) ( resid 36 and name hn) 3 1.2 0.4       
assign ( resid 37 and name hn) ( resid 36 and name ha) 3.5 1.7 0.7       
assign ( resid 37 and name hn) ( resid 36 and name hb#) 3.5 1.7 0.7       
assign (resid 37 and name hn) (resid 36 and name hn) 2.4 0.6 0.4       
assign ( resid 37 and name hn) ( resid 37 and name hb#) 2.4 0.6 0.4       
assign ( resid 37 and name hn) ( resid 37 and name ha) 3 1.2 0.4       
!assign ( resid 37 and name hn) ( resid 37 and name hb#) 3 1.2 0.4       
assign ( resid 37 and name hn) ( resid 38 and name hn) 3 1.2 0.4       
assign (resid 37 and name ha) (resid 40 and name hb#) 2.4 0.6 0.4       
!assign (resid 37 and name ha) (resid 40 and name hb2) 2.4 0.6 0.4       
assign (resid 37 and name ha) (resid 40 and name hn) 2.4 0.6 0.8       
! Leu38                    
assign ( resid 38 and name hn) ( resid 35 and name ha) 3 1.2 0.4       
!assign ( resid 38 and name hn) ( resid 36 and name ha) 3.5 1.7 0.7       
!assign (resid 38 and name hd1#) (resid 36 and name he#) 2.4 0.6 0.4       
!assign ( resid 38 and name hn) ( resid 37 and name hn) 3 1.2 0.4       
assign ( resid 38 and name hn) ( resid 37 and name hb#) 3.5 1.7 0.7       
assign ( resid 38 and name hn) ( resid 38 and name ha) 3.5 1.7 0.7      higher} 
assign ( resid 38 and name hn) ( resid 39 and name hn) 3 1.2 0.4       
! Gly39                    
assign ( resid 39 and name hn) ( resid 14 and name hb#) 3.5 1.7 0.7       
assign ( resid 39 and name hn) ( resid 36 and name ha) 3.5 1.7 0.7       
assign ( resid 39 and name hn) ( resid 37 and name hn) 3.5 1.7 0.7       
!assign ( resid 39 and name hn) ( resid 38 and name ?) 2.4 0.6 0.4       
assign ( resid 39 and name hn) ( resid 38 and name hd2#) 3.5 1.7 0.7       
!assign ( resid 39 and name hn) ( resid 39 and name ha1) 2.4 0.6 0.4       
assign ( resid 39 and name hn) ( resid 39 and name ha#) 2.4 0.6 0.4       
assign ( resid 39 and name hn) ( resid 40 and name hn) 2.4 0.6 0.4       
assign (resid 39 and name ha#) (resid 40 and name hn) 2.4 0.6 0.4       
! Cys40                    
!assign ( resid 40 and name hn) ( resid 16 and name hb1) 3.5 1.7 0.7       
!assign ( resid 40 and name hn) ( resid 16 and name hb2) 3.5 1.7 0.7       
assign (resid 40 and name hn) ( resid 14 and name hb#) 3 1.2 0.4       
!assign ( resid 40 and name hn) ( resid 39 and name hn) 2.4 0.6 0.4       
!assign ( resid 40 and name hn) ( resid 39 and name ha1) 3 1.2 0.4      2D} 
!assign ( resid 40 and name hn) ( resid 39 and name ha2) 3.5 1.7 0.7       
!assign ( resid 40 and name hn) ( resid 40 and name hb#) 2.4 0.6 0.4       
assign ( resid 40 and name hn) ( resid 40 and name ha) 3 1.2 0.4       
assign ( resid 40 and name hn) ( resid 40 and name hb#) 3 1.2 0.4       
assign ( resid 40 and name hn) ( resid 41 and name hb#) 3.5 1.7 0.7       
! Ala41                    
assign ( resid 41 and name hn) ( resid 40 and name hn) 2.4 0.6 0.4       
assign ( resid 41 and name hn) ( resid 40 and name ha) 3.5 1.7 0.7       
assign ( resid 41 and name hn) ( resid 41 and name ha) 2.4 0.6 0.4       
assign ( resid 41 and name hn) ( resid 41 and name hb#) 2.4 0.6 0.4       
! Ala43                    
assign (resid 43 and name ha) (resid 44 and name hd#) 2.4 0.6 0.4       
! Pro47                    
assign (resid 47 and name ha) (resid 48 and name hn) 2.4 0.6 0.4       
! Phe48                    
assign ( resid 48 and name hn) ( resid 47 and name ha) 3 1.2 0.4       
assign ( resid 48 and name hn) ( resid 48 and name hb#) 3 1.2 0.4       
assign (resid 48 and name ha) (resid 48 and name hd#) 2.4 0.6 0.4       
!assign (resid 48 and name hb#) (resid 48 and name hd#) 2.4 0.6 1.4       
!assign (resid 48 and name hb#) (resid 48 and name hn) 2.4 0.6 0.4       
! Trp52                    
assign ( resid 52 and name hn) ( resid 51 and name ha) 2.4 0.6 0.4       
assign ( resid 52 and name hn) ( resid 51 and name hb#) 2.4 0.6 0.4       
assign ( resid 52 and name hn) ( resid 52 and name ha) 3.5 1.7 0.7       
assign ( resid 52 and name hn) ( resid 52 and name hb#) 3.5 1.7 0.7       
!assign ( resid 52 and name hn) ( resid 52 and name hb2) 3.5 1.7 0.7       
assign (resid 52 and name ha) (resid 52 and name he3) 3 1.2 0.4       
! Ile58                    
assign ( resid 58 and name hn) ( resid 58 and name ha) 3 1.2 0.4       
assign ( resid 58 and name hn) ( resid 58 and name hb) 3 1.2 0.4       
assign ( resid 58 and name hn) ( resid 58 and name hg2#) 3.5 1.7 0.7       
!assign ( resid 58 and name hn) ( resid 58 and name hg22) 3.5 1.7 0.7       
! Ser59                    
assign ( resid 59 and name hn) ( resid 58 and name ha) 2.4 0.6 0.4       
assign ( resid 59 and name hn) ( resid 59 and name hb#) 3.5 1.7 0.7       
!  Glu60                    
assign ( resid 60 and name hn) ( resid 59 and name ha) 3.5 1.7 0.7       
assign ( resid 60 and name hn) ( resid 60 and name ha) 3.5 1.7 0.7       
!  Glu61                    
assign ( resid 61 and name hn) ( resid 61 and name ha) 3 1.2 0.4       
assign ( resid 61 and name hn) ( resid 61 and name hb#) 3 1.2 0.4       
assign ( resid 61 and name hn) ( resid 61 and name hg#) 3.5 1.7 0.7       
assign ( resid 61 and name hn) ( resid 62 and name hn) 3.5 1.7 0.7       
! Asp62                    
assign ( resid 62 and name hn) ( resid 61 and name ha) 3 1.2 0.4       
assign ( resid 62 and name hn) ( resid 61 and name hb#) 3.5 1.7 0.7       
!assign ( resid 62 and name hn) ( resid 61 and name hn) 3.5 1.7 0.7       
assign ( resid 62 and name hn) ( resid 62 and name hb#) 2.4 0.6 0.4       
assign ( resid 62 and name hn) ( resid 63 and name hn) 3 1.2 0.4       
! Leu63                    
assign ( resid 63 and name hn) ( resid 62 and name ha) 3 1.2 0.4       
!assign ( resid 63 and name hn) ( resid 62 and name hn) 3 1.2 0.4       
assign ( resid 63 and name hn) ( resid 62 and name hb#) 3.5 1.7 0.7       
assign ( resid 63 and name hn) ( resid 63 and name hd#) 2.4 0.6 0.4       
assign ( resid 63 and name hn) ( resid 63 and name ha) 3 1.2 0.4       

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           HT1      GLU   1  -5.969 -17.185   8.327
    2    H2   GLU   1           HT2      GLU   1  -6.811 -18.647   8.016
    3    H3   GLU   1           HT3      GLU   1  -6.588 -18.110   9.630
    4    HA   GLU   1           HA       GLU   1  -8.060 -16.571   7.610
    5    HB2  GLU   1           HB2      GLU   1  -8.759 -19.059   8.794
    6    HB3  GLU   1           HB1      GLU   1  -9.753 -17.824   9.554
    7    HG2  GLU   1           HG2      GLU   1 -11.109 -18.145   7.814
    8    HG3  GLU   1           HG1      GLU   1  -9.962 -17.130   6.941
    9    H    GLN   2           HN       GLN   2  -7.797 -17.428  11.066
   10    HA   GLN   2           HA       GLN   2  -8.875 -14.935  11.941
   11    HB2  GLN   2           HB2      GLN   2  -8.359 -17.415  13.103
   12    HB3  GLN   2           HB1      GLN   2  -7.265 -16.316  13.930
   13    HG2  GLN   2           HG2      GLN   2  -8.920 -15.552  15.174
   14    HG3  GLN   2           HG1      GLN   2  -9.826 -15.085  13.736
   15   HE21  GLN   2          HE21      GLN   2 -10.571 -16.322  16.380
   16   HE22  GLN   2          HE22      GLN   2 -11.522 -17.700  15.954
   17    H    ALA   3           HN       ALA   3  -7.869 -13.045  12.138
   18    HA   ALA   3           HA       ALA   3  -5.144 -12.837  12.984
   19    HB1  ALA   3           HB1      ALA   3  -4.506 -13.289  10.786
   20    HB2  ALA   3           HB2      ALA   3  -4.484 -11.528  10.877
   21    HB3  ALA   3           HB3      ALA   3  -5.839 -12.354  10.108
   22    HA   PRO   4           HA       PRO   4  -6.757  -9.008  14.506
   23    HB2  PRO   4           HB2      PRO   4  -4.000  -7.955  14.293
   24    HB3  PRO   4           HB1      PRO   4  -5.035  -8.115  15.714
   25    HG2  PRO   4           HG2      PRO   4  -2.938  -9.730  15.338
   26    HG3  PRO   4           HG1      PRO   4  -4.445 -10.325  16.058
   27    HD2  PRO   4           HD2      PRO   4  -3.416 -10.659  13.266
   28    HD3  PRO   4           HD1      PRO   4  -4.244 -11.832  14.312
   29    H    GLY   5           HN       GLY   5  -7.786  -8.744  12.312
   30    HA2  GLY   5           HA2      GLY   5  -8.261  -6.648  11.124
   31    HA3  GLY   5           HA1      GLY   5  -6.527  -6.467  10.911
   32    H    THR   6           HN       THR   6  -5.951  -6.778   8.885
   33    HA   THR   6           HA       THR   6  -6.014  -7.419   6.698
   34    HB   THR   6           HB       THR   6  -4.729  -9.230   7.306
   35    HG1  THR   6           HG1      THR   6  -5.371 -10.320   5.657
   36   HG21  THR   6          HG21      THR   6  -5.732  -9.722   9.470
   37   HG22  THR   6          HG22      THR   6  -5.466 -11.190   8.529
   38   HG23  THR   6          HG23      THR   6  -7.088 -10.511   8.662
   39    H    ALA   7           HN       ALA   7  -7.693  -6.730   5.577
   40    HA   ALA   7           HA       ALA   7 -10.233  -8.207   5.769
   41    HB1  ALA   7           HB1      ALA   7 -10.931  -6.090   6.159
   42    HB2  ALA   7           HB2      ALA   7 -10.934  -6.014   4.397
   43    HB3  ALA   7           HB3      ALA   7  -9.569  -5.365   5.306
   44    HA   PRO   8           HA       PRO   8  -9.854  -9.557   1.583
   45    HB2  PRO   8           HB2      PRO   8 -12.392  -9.614   0.721
   46    HB3  PRO   8           HB1      PRO   8 -11.829 -10.685   2.011
   47    HG2  PRO   8           HG2      PRO   8 -13.376  -8.130   2.210
   48    HG3  PRO   8           HG1      PRO   8 -13.606  -9.649   3.095
   49    HD2  PRO   8           HD2      PRO   8 -12.293  -7.466   4.114
   50    HD3  PRO   8           HD1      PRO   8 -11.990  -9.136   4.633
   51    H    CYS   9           HN       CYS   9  -9.018  -6.976   1.580
   52    HA   CYS   9           HA       CYS   9  -8.796  -5.082   0.333
   53    HB2  CYS   9           HB2      CYS   9  -9.084  -7.298  -1.425
   54    HB3  CYS   9           HB1      CYS   9  -9.938  -5.938  -2.147
   55    H    SER  10           HN       SER  10 -10.207  -3.641   1.238
   56    HA   SER  10           HA       SER  10 -12.584  -3.042  -0.307
   57    HB2  SER  10           HB2      SER  10 -14.135  -3.113   1.524
   58    HB3  SER  10           HB1      SER  10 -13.313  -4.672   1.474
   59    HG   SER  10           HG       SER  10 -13.111  -4.157   3.545
   60    H    ARG  11           HN       ARG  11 -12.640  -0.920  -0.612
   61    HA   ARG  11           HA       ARG  11 -12.263   1.311  -0.380
   62    HB2  ARG  11           HB2      ARG  11 -13.061   0.349   2.227
   63    HB3  ARG  11           HB1      ARG  11 -11.959   1.710   2.382
   64    HG2  ARG  11           HG2      ARG  11 -14.064   2.689   2.337
   65    HG3  ARG  11           HG1      ARG  11 -13.473   2.887   0.686
   66    HD2  ARG  11           HD2      ARG  11 -15.169   0.544   1.494
   67    HD3  ARG  11           HD1      ARG  11 -15.882   2.080   1.004
   68    HE   ARG  11           HE       ARG  11 -14.152   1.481  -1.009
   69   HH11  ARG  11          HH11      ARG  11 -16.802  -0.209   0.507
   70   HH12  ARG  11          HH12      ARG  11 -17.227  -1.084  -0.926
   71   HH21  ARG  11          HH21      ARG  11 -14.710   0.333  -2.894
   72   HH22  ARG  11          HH22      ARG  11 -16.040  -0.777  -2.857
   73    H    GLY  12           HN       GLY  12 -10.228   1.368  -1.326
   74    HA2  GLY  12           HA2      GLY  12  -8.053   2.203  -1.260
   75    HA3  GLY  12           HA1      GLY  12  -8.079   2.065   0.491
   76    H    SER  13           HN       SER  13  -6.921   0.484   1.381
   77    HA   SER  13           HA       SER  13  -5.432  -1.238   1.529
   78    HB2  SER  13           HB2      SER  13  -7.654  -2.392   1.467
   79    HB3  SER  13           HB1      SER  13  -7.424  -2.639  -0.264
   80    HG   SER  13           HG       SER  13  -6.649  -4.251   1.557
   81    H    SER  14           HN       SER  14  -4.547  -3.217  -0.068
   82    HA   SER  14           HA       SER  14  -3.954  -2.294  -2.708
   83    HB2  SER  14           HB2      SER  14  -2.373  -0.912  -1.471
   84    HB3  SER  14           HB1      SER  14  -1.752  -2.335  -0.635
   85    HG   SER  14           HG       SER  14  -1.078  -3.123  -2.696
   86    H    TRP  15           HN       TRP  15  -3.247  -3.911  -4.031
   87    HA   TRP  15           HA       TRP  15  -3.506  -6.591  -3.053
   88    HB2  TRP  15           HB2      TRP  15  -4.339  -6.411  -5.203
   89    HB3  TRP  15           HB1      TRP  15  -3.078  -5.297  -5.713
   90    HD1  TRP  15           HD1      TRP  15  -0.951  -6.309  -6.855
   91    HE1  TRP  15           HE1      TRP  15  -0.299  -8.679  -7.615
   92    HE3  TRP  15           HE3      TRP  15  -4.638  -8.962  -4.508
   93    HZ2  TRP  15           HZ2      TRP  15  -1.224 -11.318  -7.265
   94    HZ3  TRP  15           HZ3      TRP  15  -4.685 -11.406  -4.774
   95    HH2  TRP  15           HH2      TRP  15  -3.011 -12.560  -6.126
   96    H    SER  16           HN       SER  16  -1.834  -8.277  -3.569
   97    HA   SER  16           HA       SER  16   0.890  -7.268  -3.390
   98    HB2  SER  16           HB2      SER  16   0.139  -9.621  -1.710
   99    HB3  SER  16           HB1      SER  16   1.434  -8.448  -1.474
  100    HG   SER  16           HG       SER  16  -0.777  -8.432  -0.217
  101    H    ALA  17           HN       ALA  17   2.148  -8.185  -4.867
  102    HA   ALA  17           HA       ALA  17   1.219 -10.596  -6.218
  103    HB1  ALA  17           HB1      ALA  17   3.718  -9.315  -7.110
  104    HB2  ALA  17           HB2      ALA  17   2.263  -8.325  -7.219
  105    HB3  ALA  17           HB3      ALA  17   2.334  -9.882  -8.044
  106    H    ASP  18           HN       ASP  18   3.622  -9.589  -3.949
  107    HA   ASP  18           HA       ASP  18   5.620 -11.479  -4.330
  108    HB2  ASP  18           HB2      ASP  18   5.363  -9.478  -2.618
  109    HB3  ASP  18           HB1      ASP  18   4.820 -10.763  -1.543
  110    H    LEU  19           HN       LEU  19   2.494 -11.788  -2.762
  111    HA   LEU  19           HA       LEU  19   2.870 -14.686  -2.708
  112    HB2  LEU  19           HB2      LEU  19   1.607 -14.606  -0.436
  113    HB3  LEU  19           HB1      LEU  19   3.342 -14.358  -0.480
  114    HG   LEU  19           HG       LEU  19   2.786 -11.842  -0.544
  115   HD11  LEU  19          HD11      LEU  19   0.187 -12.873   0.580
  116   HD12  LEU  19          HD12      LEU  19   0.379 -12.183  -1.032
  117   HD13  LEU  19          HD13      LEU  19   0.675 -11.188   0.394
  118   HD21  LEU  19          HD21      LEU  19   2.537 -11.796   1.926
  119   HD22  LEU  19          HD22      LEU  19   3.822 -12.866   1.366
  120   HD23  LEU  19          HD23      LEU  19   2.280 -13.540   1.895
  121    H    ASP  20           HN       ASP  20   1.287 -12.610  -4.236
  122    HA   ASP  20           HA       ASP  20  -0.841 -12.215  -4.986
  123    HB2  ASP  20           HB2      ASP  20  -2.008 -14.283  -5.678
  124    HB3  ASP  20           HB1      ASP  20  -0.299 -14.305  -6.102
  125    H    LYS  21           HN       LYS  21  -1.541 -11.086  -3.082
  126    HA   LYS  21           HA       LYS  21  -3.978 -12.067  -2.061
  127    HB2  LYS  21           HB2      LYS  21  -1.750 -13.010  -0.662
  128    HB3  LYS  21           HB1      LYS  21  -2.370 -11.694   0.325
  129    HG2  LYS  21           HG2      LYS  21  -4.458 -12.734   0.592
  130    HG3  LYS  21           HG1      LYS  21  -4.144 -13.880  -0.713
  131    HD2  LYS  21           HD2      LYS  21  -2.996 -15.275   0.627
  132    HD3  LYS  21           HD1      LYS  21  -2.182 -13.953   1.466
  133    HE2  LYS  21           HE2      LYS  21  -4.766 -13.685   2.325
  134    HE3  LYS  21           HE1      LYS  21  -4.601 -15.434   2.182
  135    HZ1  LYS  21           HZ1      LYS  21  -2.410 -14.041   3.490
  136    HZ2  LYS  21           HZ2      LYS  21  -3.132 -15.522   3.870
  137    HZ3  LYS  21           HZ3      LYS  21  -3.874 -14.077   4.338
  138    H    CYS  22           HN       CYS  22  -5.196 -10.453  -1.153
  139    HA   CYS  22           HA       CYS  22  -4.183  -7.774  -1.467
  140    HB2  CYS  22           HB2      CYS  22  -6.798  -9.054  -1.187
  141    HB3  CYS  22           HB1      CYS  22  -6.678  -7.540  -0.297
  142    H    MET  23           HN       MET  23  -4.369  -6.131   0.215
  143    HA   MET  23           HA       MET  23  -4.650  -6.873   2.945
  144    HB2  MET  23           HB2      MET  23  -2.155  -7.420   1.889
  145    HB3  MET  23           HB1      MET  23  -1.931  -5.849   2.646
  146    HG2  MET  23           HG2      MET  23  -3.363  -7.847   4.261
  147    HG3  MET  23           HG1      MET  23  -1.668  -8.198   3.926
  148    HE1  MET  23           HE1      MET  23  -0.969  -7.643   6.992
  149    HE2  MET  23           HE2      MET  23  -2.567  -8.209   6.508
  150    HE3  MET  23           HE3      MET  23  -2.411  -6.803   7.561
  151    H    ASP  24           HN       ASP  24  -5.237  -5.140   4.097
  152    HA   ASP  24           HA       ASP  24  -5.668  -2.656   2.880
  153    HB2  ASP  24           HB2      ASP  24  -6.532  -3.841   5.173
  154    HB3  ASP  24           HB1      ASP  24  -5.424  -2.635   5.820
  155    H    CYS  25           HN       CYS  25  -4.860  -0.567   4.100
  156    HA   CYS  25           HA       CYS  25  -1.951  -0.609   3.852
  157    HB2  CYS  25           HB2      CYS  25  -3.988   1.611   3.876
  158    HB3  CYS  25           HB1      CYS  25  -2.258   1.924   3.954
  159    H    ALA  26           HN       ALA  26  -4.066  -1.053   6.305
  160    HA   ALA  26           HA       ALA  26  -2.786   0.626   8.286
  161    HB1  ALA  26           HB1      ALA  26  -5.134  -1.178   8.220
  162    HB2  ALA  26           HB2      ALA  26  -4.969   0.447   8.885
  163    HB3  ALA  26           HB3      ALA  26  -4.341  -0.938   9.777
  164    H    SER  27           HN       SER  27  -0.764  -0.739   7.344
  165    HA   SER  27           HA       SER  27   0.251  -2.159   9.542
  166    HB2  SER  27           HB2      SER  27  -1.402  -3.838   8.422
  167    HB3  SER  27           HB1      SER  27  -0.131  -4.015   7.213
  168    HG   SER  27           HG       SER  27  -0.012  -5.526   8.991
  169    H    CYS  28           HN       CYS  28   1.022  -0.059   7.750
  170    HA   CYS  28           HA       CYS  28   3.699  -0.866   7.230
  171    HB2  CYS  28           HB2      CYS  28   1.972  -1.430   5.182
  172    HB3  CYS  28           HB1      CYS  28   2.559   0.165   4.729
  173    H    ARG  29           HN       ARG  29   2.684   1.078   8.876
  174    HA   ARG  29           HA       ARG  29   3.147   3.606   7.454
  175    HB2  ARG  29           HB2      ARG  29   1.190   2.898   9.271
  176    HB3  ARG  29           HB1      ARG  29   2.330   3.806  10.254
  177    HG2  ARG  29           HG2      ARG  29   1.755   5.753   9.328
  178    HG3  ARG  29           HG1      ARG  29   1.728   5.078   7.698
  179    HD2  ARG  29           HD2      ARG  29  -0.468   3.940   8.477
  180    HD3  ARG  29           HD1      ARG  29  -0.449   5.157   9.753
  181    HE   ARG  29           HE       ARG  29  -1.155   6.677   8.214
  182   HH11  ARG  29          HH11      ARG  29   0.397   4.054   6.512
  183   HH12  ARG  29          HH12      ARG  29   0.030   4.689   4.944
  184   HH21  ARG  29          HH21      ARG  29  -1.639   7.513   6.151
  185   HH22  ARG  29          HH22      ARG  29  -1.125   6.653   4.738
  186    H    ALA  30           HN       ALA  30   5.258   1.700   8.296
  187    HA   ALA  30           HA       ALA  30   7.182   3.517   9.171
  188    HB1  ALA  30           HB1      ALA  30   6.863   1.705  11.459
  189    HB2  ALA  30           HB2      ALA  30   5.594   2.918  11.289
  190    HB3  ALA  30           HB3      ALA  30   7.280   3.418  11.413
  191    H    ARG  31           HN       ARG  31   6.130   0.154   9.173
  192    HA   ARG  31           HA       ARG  31   8.910  -0.693   8.732
  193    HB2  ARG  31           HB2      ARG  31   6.525  -2.406   9.443
  194    HB3  ARG  31           HB1      ARG  31   8.207  -2.916   9.392
  195    HG2  ARG  31           HG2      ARG  31   8.073  -2.575  11.611
  196    HG3  ARG  31           HG1      ARG  31   8.408  -0.905  11.151
  197    HD2  ARG  31           HD2      ARG  31   6.579  -0.678  12.551
  198    HD3  ARG  31           HD1      ARG  31   5.834  -0.702  10.953
  199    HE   ARG  31           HE       ARG  31   5.975  -3.316  12.047
  200   HH11  ARG  31          HH11      ARG  31   4.199  -0.320  12.281
  201   HH12  ARG  31          HH12      ARG  31   2.748  -1.080  12.843
  202   HH21  ARG  31          HH21      ARG  31   4.067  -4.316  12.786
  203   HH22  ARG  31          HH22      ARG  31   2.673  -3.349  13.130
  204    HA   PRO  32           HA       PRO  32   7.165  -1.143   4.521
  205    HB2  PRO  32           HB2      PRO  32   9.434  -0.566   3.196
  206    HB3  PRO  32           HB1      PRO  32   8.409   0.699   3.885
  207    HG2  PRO  32           HG2      PRO  32  10.935  -0.490   4.964
  208    HG3  PRO  32           HG1      PRO  32  10.431   1.209   4.914
  209    HD2  PRO  32           HD2      PRO  32  10.218  -0.364   7.139
  210    HD3  PRO  32           HD1      PRO  32   9.146   1.010   6.804
  211    H    HIS  33           HN       HIS  33   6.868  -3.358   4.535
  212    HA   HIS  33           HA       HIS  33   8.981  -4.925   3.364
  213    HB2  HIS  33           HB2      HIS  33   9.342  -4.977   5.902
  214    HB3  HIS  33           HB1      HIS  33   7.861  -5.927   5.976
  215    HD1  HIS  33           HD1      HIS  33  10.101  -7.439   7.012
  216    HD2  HIS  33           HD2      HIS  33   9.420  -7.224   2.918
  217    HE1  HIS  33           HE1      HIS  33  11.287  -9.427   6.027
  218    HE2  HIS  33           HE2      HIS  33  10.790  -9.322   3.559
  219    H    SER  34           HN       SER  34   6.916  -4.469   1.961
  220    HA   SER  34           HA       SER  34   5.646  -6.944   1.557
  221    HB2  SER  34           HB2      SER  34   4.287  -5.086   3.354
  222    HB3  SER  34           HB1      SER  34   3.289  -5.550   1.976
  223    HG   SER  34           HG       SER  34   4.615  -7.332   3.745
  224    H    ASP  35           HN       ASP  35   4.551  -7.032  -0.396
  225    HA   ASP  35           HA       ASP  35   5.262  -5.095  -2.313
  226    HB2  ASP  35           HB2      ASP  35   4.752  -7.593  -2.653
  227    HB3  ASP  35           HB1      ASP  35   3.059  -7.109  -2.701
  228    H    PHE  36           HN       PHE  36   2.214  -5.765  -0.637
  229    HA   PHE  36           HA       PHE  36   0.597  -3.996  -2.078
  230    HB2  PHE  36           HB2      PHE  36  -0.896  -4.037  -0.097
  231    HB3  PHE  36           HB1      PHE  36  -0.382  -5.642  -0.602
  232    HD1  PHE  36           HD2      PHE  36   0.290  -2.957   1.863
  233    HD2  PHE  36           HD1      PHE  36   0.679  -7.083   0.894
  234    HE1  PHE  36           HE2      PHE  36   1.074  -3.417   4.149
  235    HE2  PHE  36           HE1      PHE  36   1.461  -7.550   3.178
  236    HZ   PHE  36           HZ       PHE  36   1.661  -5.716   4.810
  237    H    CYS  37           HN       CYS  37   3.078  -3.361   0.207
  238    HA   CYS  37           HA       CYS  37   2.138  -0.802   1.068
  239    HB2  CYS  37           HB2      CYS  37   4.938  -1.949   1.116
  240    HB3  CYS  37           HB1      CYS  37   4.400  -0.518   1.988
  241    H    LEU  38           HN       LEU  38   4.132  -1.985  -1.553
  242    HA   LEU  38           HA       LEU  38   5.251   0.463  -2.368
  243    HB2  LEU  38           HB2      LEU  38   5.856  -1.920  -3.095
  244    HB3  LEU  38           HB1      LEU  38   4.533  -1.781  -4.236
  245    HG   LEU  38           HG       LEU  38   6.594   0.365  -4.252
  246   HD11  LEU  38          HD11      LEU  38   7.550  -2.138  -4.196
  247   HD12  LEU  38          HD12      LEU  38   8.275  -0.845  -5.151
  248   HD13  LEU  38          HD13      LEU  38   7.183  -2.000  -5.915
  249   HD21  LEU  38          HD21      LEU  38   5.095   0.836  -5.880
  250   HD22  LEU  38          HD22      LEU  38   4.610  -0.848  -6.076
  251   HD23  LEU  38          HD23      LEU  38   6.108  -0.272  -6.806
  252    H    GLY  39           HN       GLY  39   2.127  -0.997  -2.920
  253    HA2  GLY  39           HA2      GLY  39   1.395   0.846  -5.020
  254    HA3  GLY  39           HA1      GLY  39   0.341  -0.329  -4.245
  255    H    CYS  40           HN       CYS  40   0.937   0.610  -1.550
  256    HA   CYS  40           HA       CYS  40  -1.005   2.729  -1.448
  257    HB2  CYS  40           HB2      CYS  40  -0.645   0.756   0.218
  258    HB3  CYS  40           HB1      CYS  40   0.586   1.799   0.921
  259    H    ALA  41           HN       ALA  41   2.406   2.401  -0.484
  260    HA   ALA  41           HA       ALA  41   2.738   5.089   0.297
  261    HB1  ALA  41           HB1      ALA  41   4.911   4.547   0.722
  262    HB2  ALA  41           HB2      ALA  41   5.065   3.559  -0.731
  263    HB3  ALA  41           HB3      ALA  41   4.213   2.928   0.678
  264    H    ALA  42           HN       ALA  42   4.857   6.161  -0.918
  265    HA   ALA  42           HA       ALA  42   5.589   7.351  -2.714
  266    HB1  ALA  42           HB1      ALA  42   4.039   5.456  -4.464
  267    HB2  ALA  42           HB2      ALA  42   5.624   5.080  -3.789
  268    HB3  ALA  42           HB3      ALA  42   5.439   6.438  -4.898
  269    H    ALA  43           HN       ALA  43   2.673   7.497  -1.526
  270    HA   ALA  43           HA       ALA  43   0.787   8.746  -1.829
  271    HB1  ALA  43           HB1      ALA  43   1.264  10.943  -1.981
  272    HB2  ALA  43           HB2      ALA  43   2.192  10.750  -3.468
  273    HB3  ALA  43           HB3      ALA  43   2.930  10.370  -1.912
  274    HA   PRO  44           HA       PRO  44  -0.335   6.982  -5.915
  275    HB2  PRO  44           HB2      PRO  44  -3.001   7.560  -4.725
  276    HB3  PRO  44           HB1      PRO  44  -2.422   6.103  -5.538
  277    HG2  PRO  44           HG2      PRO  44  -2.697   6.172  -2.886
  278    HG3  PRO  44           HG1      PRO  44  -1.348   5.310  -3.648
  279    HD2  PRO  44           HD2      PRO  44  -1.366   7.940  -2.241
  280    HD3  PRO  44           HD1      PRO  44  -0.107   6.689  -2.284
  281    HA   PRO  45           HA       PRO  45  -2.754  10.993  -6.899
  282    HB2  PRO  45           HB2      PRO  45  -3.237  12.814  -4.998
  283    HB3  PRO  45           HB1      PRO  45  -4.250  11.375  -5.172
  284    HG2  PRO  45           HG2      PRO  45  -2.051  11.920  -3.220
  285    HG3  PRO  45           HG1      PRO  45  -3.620  11.142  -2.950
  286    HD2  PRO  45           HD2      PRO  45  -1.250   9.786  -3.300
  287    HD3  PRO  45           HD1      PRO  45  -2.853   9.101  -3.627
  288    H    ALA  46           HN       ALA  46  -2.278  13.468  -6.989
  289    HA   ALA  46           HA       ALA  46   0.290  14.333  -6.070
  290    HB1  ALA  46           HB1      ALA  46  -0.029  13.646  -8.988
  291    HB2  ALA  46           HB2      ALA  46   1.091  12.915  -7.839
  292    HB3  ALA  46           HB3      ALA  46   1.298  14.598  -8.323
  293    HA   PRO  47           HA       PRO  47  -1.626  18.284  -6.489
  294    HB2  PRO  47           HB2      PRO  47   1.039  19.266  -7.371
  295    HB3  PRO  47           HB1      PRO  47   0.009  19.835  -6.053
  296    HG2  PRO  47           HG2      PRO  47   2.196  18.398  -5.551
  297    HG3  PRO  47           HG1      PRO  47   0.714  18.168  -4.605
  298    HD2  PRO  47           HD2      PRO  47   1.855  16.475  -6.786
  299    HD3  PRO  47           HD1      PRO  47   1.013  15.988  -5.301
  300    H    PHE  48           HN       PHE  48  -1.148  20.327  -8.160
  301    HA   PHE  48           HA       PHE  48  -2.153  19.349 -10.659
  302    HB2  PHE  48           HB2      PHE  48  -1.342  22.152  -9.857
  303    HB3  PHE  48           HB1      PHE  48  -2.260  21.721 -11.296
  304    HD1  PHE  48           HD2      PHE  48  -4.556  20.813 -11.063
  305    HD2  PHE  48           HD1      PHE  48  -2.384  22.359  -7.747
  306    HE1  PHE  48           HE2      PHE  48  -6.651  21.011  -9.788
  307    HE2  PHE  48           HE1      PHE  48  -4.475  22.558  -6.465
  308    HZ   PHE  48           HZ       PHE  48  -6.612  21.884  -7.486
  309    H    ARG  49           HN       ARG  49   0.860  20.855  -9.571
  310    HA   ARG  49           HA       ARG  49   2.197  19.757 -11.924
  311    HB2  ARG  49           HB2      ARG  49   1.807  22.619 -11.351
  312    HB3  ARG  49           HB1      ARG  49   3.464  22.167 -11.731
  313    HG2  ARG  49           HG2      ARG  49   3.006  21.951 -13.892
  314    HG3  ARG  49           HG1      ARG  49   1.579  20.965 -13.569
  315    HD2  ARG  49           HD2      ARG  49   0.166  22.744 -13.636
  316    HD3  ARG  49           HD1      ARG  49   1.368  23.861 -12.991
  317    HE   ARG  49           HE       ARG  49   2.081  23.025 -15.602
  318   HH11  ARG  49          HH11      ARG  49  -0.139  25.111 -13.899
  319   HH12  ARG  49          HH12      ARG  49  -0.313  26.214 -15.222
  320   HH21  ARG  49          HH21      ARG  49   1.854  24.475 -17.343
  321   HH22  ARG  49          HH22      ARG  49   0.819  25.854 -17.177
  322    H    LEU  50           HN       LEU  50   2.937  21.907  -9.171
  323    HA   LEU  50           HA       LEU  50   4.435  20.017  -7.738
  324    HB2  LEU  50           HB2      LEU  50   5.805  21.089  -9.969
  325    HB3  LEU  50           HB1      LEU  50   6.513  21.823  -8.543
  326    HG   LEU  50           HG       LEU  50   6.214  19.002  -8.099
  327   HD11  LEU  50          HD11      LEU  50   6.464  19.370 -10.756
  328   HD12  LEU  50          HD12      LEU  50   7.127  17.985  -9.887
  329   HD13  LEU  50          HD13      LEU  50   8.162  19.359 -10.277
  330   HD21  LEU  50          HD21      LEU  50   8.882  20.166  -8.548
  331   HD22  LEU  50          HD22      LEU  50   8.257  19.244  -7.180
  332   HD23  LEU  50          HD23      LEU  50   7.892  20.963  -7.325
  333    H    LEU  51           HN       LEU  51   5.600  20.981  -5.906
  334    HA   LEU  51           HA       LEU  51   4.707  23.725  -5.318
  335    HB2  LEU  51           HB2      LEU  51   4.262  21.225  -3.822
  336    HB3  LEU  51           HB1      LEU  51   4.799  22.583  -2.851
  337    HG   LEU  51           HG       LEU  51   2.874  23.883  -3.992
  338   HD11  LEU  51          HD11      LEU  51   2.388  21.106  -4.876
  339   HD12  LEU  51          HD12      LEU  51   1.967  22.635  -5.646
  340   HD13  LEU  51          HD13      LEU  51   0.988  22.019  -4.316
  341   HD21  LEU  51          HD21      LEU  51   1.714  21.821  -2.234
  342   HD22  LEU  51          HD22      LEU  51   1.689  23.579  -2.097
  343   HD23  LEU  51          HD23      LEU  51   3.120  22.677  -1.600
  344    H    TRP  52           HN       TRP  52   5.914  24.540  -3.263
  345    HA   TRP  52           HA       TRP  52   8.760  23.832  -3.559
  346    HB2  TRP  52           HB2      TRP  52   7.830  26.188  -4.284
  347    HB3  TRP  52           HB1      TRP  52   7.901  26.517  -2.556
  348    HD1  TRP  52           HD1      TRP  52  10.139  27.437  -1.721
  349    HE1  TRP  52           HE1      TRP  52  12.552  27.505  -2.614
  350    HE3  TRP  52           HE3      TRP  52   9.529  24.599  -5.931
  351    HZ2  TRP  52           HZ2      TRP  52  14.005  26.491  -4.812
  352    HZ3  TRP  52           HZ3      TRP  52  11.480  24.197  -7.374
  353    HH2  TRP  52           HH2      TRP  52  13.671  25.124  -6.825
  354    HA   PRO  53           HA       PRO  53   7.659  22.490   0.719
  355    HB2  PRO  53           HB2      PRO  53  10.400  21.384   0.322
  356    HB3  PRO  53           HB1      PRO  53   8.966  20.616   1.012
  357    HG2  PRO  53           HG2      PRO  53   9.773  20.009  -1.450
  358    HG3  PRO  53           HG1      PRO  53   8.047  20.157  -1.069
  359    HD2  PRO  53           HD2      PRO  53   9.837  22.047  -2.527
  360    HD3  PRO  53           HD1      PRO  53   8.121  21.681  -2.795
  Start of MODEL    2
    1    H1   GLU   1           HT1      GLU   1 -22.135  -0.790   4.286
    2    H2   GLU   1           HT2      GLU   1 -21.177   0.633   4.272
    3    H3   GLU   1           HT3      GLU   1 -22.672   0.611   5.114
    4    HA   GLU   1           HA       GLU   1 -20.598   0.429   6.462
    5    HB2  GLU   1           HB2      GLU   1 -23.104  -0.315   6.901
    6    HB3  GLU   1           HB1      GLU   1 -22.391  -1.922   6.896
    7    HG2  GLU   1           HG2      GLU   1 -20.689  -0.632   8.546
    8    HG3  GLU   1           HG1      GLU   1 -22.188   0.235   8.877
    9    H    GLN   2           HN       GLN   2 -19.786  -0.750   3.939
   10    HA   GLN   2           HA       GLN   2 -18.160  -2.914   5.014
   11    HB2  GLN   2           HB2      GLN   2 -20.304  -3.270   3.044
   12    HB3  GLN   2           HB1      GLN   2 -18.757  -3.929   2.531
   13    HG2  GLN   2           HG2      GLN   2 -18.688  -5.464   4.257
   14    HG3  GLN   2           HG1      GLN   2 -19.830  -4.555   5.245
   15   HE21  GLN   2          HE21      GLN   2 -19.778  -5.964   1.984
   16   HE22  GLN   2          HE22      GLN   2 -21.310  -6.753   2.117
   17    H    ALA   3           HN       ALA   3 -16.670  -3.697   3.041
   18    HA   ALA   3           HA       ALA   3 -15.966  -1.862   1.042
   19    HB1  ALA   3           HB1      ALA   3 -15.045  -0.269   2.348
   20    HB2  ALA   3           HB2      ALA   3 -13.658  -1.357   2.334
   21    HB3  ALA   3           HB3      ALA   3 -14.778  -1.376   3.696
   22    HA   PRO   4           HA       PRO   4 -12.430  -5.084   1.399
   23    HB2  PRO   4           HB2      PRO   4 -12.211  -6.584   3.636
   24    HB3  PRO   4           HB1      PRO   4 -11.477  -4.982   3.496
   25    HG2  PRO   4           HG2      PRO   4 -14.034  -5.785   4.831
   26    HG3  PRO   4           HG1      PRO   4 -12.777  -4.670   5.399
   27    HD2  PRO   4           HD2      PRO   4 -15.096  -3.830   4.251
   28    HD3  PRO   4           HD1      PRO   4 -13.572  -2.928   4.127
   29    H    GLY   5           HN       GLY   5 -12.440  -7.194   0.633
   30    HA2  GLY   5           HA2      GLY   5 -13.268  -9.390   0.400
   31    HA3  GLY   5           HA1      GLY   5 -14.700  -8.922   1.305
   32    H    THR   6           HN       THR   6 -15.767  -6.877  -0.006
   33    HA   THR   6           HA       THR   6 -16.480  -8.067  -2.582
   34    HB   THR   6           HB       THR   6 -17.861  -5.766  -1.203
   35    HG1  THR   6           HG1      THR   6 -18.323  -8.546  -0.901
   36   HG21  THR   6          HG21      THR   6 -19.456  -5.916  -2.739
   37   HG22  THR   6          HG22      THR   6 -19.473  -7.679  -2.672
   38   HG23  THR   6          HG23      THR   6 -18.294  -6.846  -3.686
   39    H    ALA   7           HN       ALA   7 -13.984  -6.765  -2.432
   40    HA   ALA   7           HA       ALA   7 -14.238  -4.957  -4.625
   41    HB1  ALA   7           HB1      ALA   7 -14.824  -3.330  -3.002
   42    HB2  ALA   7           HB2      ALA   7 -13.145  -3.022  -3.443
   43    HB3  ALA   7           HB3      ALA   7 -13.522  -3.837  -1.926
   44    HA   PRO   8           HA       PRO   8 -10.239  -7.095  -4.763
   45    HB2  PRO   8           HB2      PRO   8  -9.795  -6.641  -7.405
   46    HB3  PRO   8           HB1      PRO   8 -10.842  -7.935  -6.814
   47    HG2  PRO   8           HG2      PRO   8 -11.581  -5.227  -7.851
   48    HG3  PRO   8           HG1      PRO   8 -12.336  -6.797  -8.185
   49    HD2  PRO   8           HD2      PRO   8 -13.376  -5.039  -6.415
   50    HD3  PRO   8           HD1      PRO   8 -13.512  -6.795  -6.199
   51    H    CYS   9           HN       CYS   9  -9.922  -4.895  -3.436
   52    HA   CYS   9           HA       CYS   9  -8.582  -3.109  -3.011
   53    HB2  CYS   9           HB2      CYS   9  -7.048  -4.624  -5.086
   54    HB3  CYS   9           HB1      CYS   9  -6.463  -3.046  -4.570
   55    H    SER  10           HN       SER  10 -10.479  -1.881  -3.878
   56    HA   SER  10           HA       SER  10 -10.030  -0.637  -6.479
   57    HB2  SER  10           HB2      SER  10 -12.331  -0.618  -4.534
   58    HB3  SER  10           HB1      SER  10 -12.260   0.506  -5.891
   59    HG   SER  10           HG       SER  10 -13.190  -1.116  -6.882
   60    H    ARG  11           HN       ARG  11 -10.384   0.292  -3.071
   61    HA   ARG  11           HA       ARG  11  -8.591   2.516  -3.456
   62    HB2  ARG  11           HB2      ARG  11 -11.028   3.231  -4.072
   63    HB3  ARG  11           HB1      ARG  11 -11.275   3.231  -2.331
   64    HG2  ARG  11           HG2      ARG  11 -10.743   5.452  -3.021
   65    HG3  ARG  11           HG1      ARG  11  -9.371   4.809  -2.116
   66    HD2  ARG  11           HD2      ARG  11  -8.688   6.039  -4.143
   67    HD3  ARG  11           HD1      ARG  11  -8.182   4.350  -4.165
   68    HE   ARG  11           HE       ARG  11 -10.693   4.823  -5.480
   69   HH11  ARG  11          HH11      ARG  11  -7.224   4.793  -5.861
   70   HH12  ARG  11          HH12      ARG  11  -7.289   4.546  -7.573
   71   HH21  ARG  11          HH21      ARG  11 -10.781   4.498  -7.733
   72   HH22  ARG  11          HH22      ARG  11  -9.308   4.380  -8.636
   73    H    GLY  12           HN       GLY  12  -7.507   3.004  -1.620
   74    HA2  GLY  12           HA2      GLY  12  -7.299   3.244   0.741
   75    HA3  GLY  12           HA1      GLY  12  -8.600   2.081   0.944
   76    H    SER  13           HN       SER  13  -7.847  -0.075  -0.444
   77    HA   SER  13           HA       SER  13  -5.506  -0.974   1.045
   78    HB2  SER  13           HB2      SER  13  -7.212  -2.743  -0.688
   79    HB3  SER  13           HB1      SER  13  -6.291  -3.162   0.756
   80    HG   SER  13           HG       SER  13  -7.986  -2.713   1.897
   81    H    SER  14           HN       SER  14  -4.553  -3.014  -0.483
   82    HA   SER  14           HA       SER  14  -4.023  -2.189  -3.163
   83    HB2  SER  14           HB2      SER  14  -2.197  -1.402  -1.018
   84    HB3  SER  14           HB1      SER  14  -1.400  -2.294  -2.314
   85    HG   SER  14           HG       SER  14  -2.309  -0.785  -3.787
   86    H    TRP  15           HN       TRP  15  -2.857  -3.738  -4.377
   87    HA   TRP  15           HA       TRP  15  -3.188  -6.417  -3.423
   88    HB2  TRP  15           HB2      TRP  15  -3.641  -6.167  -5.710
   89    HB3  TRP  15           HB1      TRP  15  -2.214  -5.177  -5.982
   90    HD1  TRP  15           HD1      TRP  15  -0.093  -6.382  -6.839
   91    HE1  TRP  15           HE1      TRP  15   0.531  -8.832  -7.320
   92    HE3  TRP  15           HE3      TRP  15  -4.152  -8.684  -4.750
   93    HZ2  TRP  15           HZ2      TRP  15  -0.554 -11.397  -6.871
   94    HZ3  TRP  15           HZ3      TRP  15  -4.283 -11.136  -4.820
   95    HH2  TRP  15           HH2      TRP  15  -2.520 -12.465  -5.860
   96    H    SER  16           HN       SER  16  -1.431  -8.043  -3.533
   97    HA   SER  16           HA       SER  16   1.234  -6.998  -3.073
   98    HB2  SER  16           HB2      SER  16   0.498  -9.091  -1.146
   99    HB3  SER  16           HB1      SER  16   1.417  -7.607  -0.900
  100    HG   SER  16           HG       SER  16  -0.364  -7.061   0.113
  101    H    ALA  17           HN       ALA  17   2.797  -8.257  -3.904
  102    HA   ALA  17           HA       ALA  17   1.970 -10.749  -5.184
  103    HB1  ALA  17           HB1      ALA  17   3.133  -9.050  -6.532
  104    HB2  ALA  17           HB2      ALA  17   4.014 -10.576  -6.470
  105    HB3  ALA  17           HB3      ALA  17   4.545  -9.211  -5.489
  106    H    ASP  18           HN       ASP  18   3.781  -9.629  -2.485
  107    HA   ASP  18           HA       ASP  18   5.699 -11.579  -2.120
  108    HB2  ASP  18           HB2      ASP  18   5.305  -9.529  -0.695
  109    HB3  ASP  18           HB1      ASP  18   4.017 -10.424   0.108
  110    H    LEU  19           HN       LEU  19   2.241 -11.784  -1.680
  111    HA   LEU  19           HA       LEU  19   2.467 -14.663  -1.381
  112    HB2  LEU  19           HB2      LEU  19   0.866 -14.653   0.547
  113    HB3  LEU  19           HB1      LEU  19   2.481 -14.078   0.914
  114    HG   LEU  19           HG       LEU  19   0.669 -11.919   0.155
  115   HD11  LEU  19          HD11      LEU  19  -0.296 -12.167   2.635
  116   HD12  LEU  19          HD12      LEU  19  -0.165 -13.873   2.209
  117   HD13  LEU  19          HD13      LEU  19  -1.132 -12.786   1.212
  118   HD21  LEU  19          HD21      LEU  19   1.647 -10.845   2.053
  119   HD22  LEU  19          HD22      LEU  19   2.927 -11.702   1.194
  120   HD23  LEU  19          HD23      LEU  19   2.252 -12.379   2.676
  121    H    ASP  20           HN       ASP  20   1.385 -12.569  -3.276
  122    HA   ASP  20           HA       ASP  20  -0.481 -12.125  -4.529
  123    HB2  ASP  20           HB2      ASP  20  -0.329 -15.093  -4.222
  124    HB3  ASP  20           HB1      ASP  20  -1.720 -14.403  -5.052
  125    H    LYS  21           HN       LYS  21  -1.485 -10.897  -2.795
  126    HA   LYS  21           HA       LYS  21  -4.174 -11.576  -2.414
  127    HB2  LYS  21           HB2      LYS  21  -2.362 -12.672  -0.442
  128    HB3  LYS  21           HB1      LYS  21  -3.493 -11.553   0.307
  129    HG2  LYS  21           HG2      LYS  21  -5.318 -12.845  -0.923
  130    HG3  LYS  21           HG1      LYS  21  -4.081 -14.072  -1.207
  131    HD2  LYS  21           HD2      LYS  21  -3.686 -14.134   1.259
  132    HD3  LYS  21           HD1      LYS  21  -5.071 -13.057   1.455
  133    HE2  LYS  21           HE2      LYS  21  -6.439 -14.774   0.225
  134    HE3  LYS  21           HE1      LYS  21  -5.052 -15.857   0.344
  135    HZ1  LYS  21           HZ1      LYS  21  -6.930 -15.890   2.134
  136    HZ2  LYS  21           HZ2      LYS  21  -6.063 -14.594   2.790
  137    HZ3  LYS  21           HZ3      LYS  21  -5.312 -16.095   2.585
  138    H    CYS  22           HN       CYS  22  -5.313  -9.784  -1.916
  139    HA   CYS  22           HA       CYS  22  -4.070  -7.279  -1.890
  140    HB2  CYS  22           HB2      CYS  22  -6.821  -8.296  -1.521
  141    HB3  CYS  22           HB1      CYS  22  -6.500  -6.712  -0.825
  142    H    MET  23           HN       MET  23  -4.053  -5.657  -0.215
  143    HA   MET  23           HA       MET  23  -4.364  -6.496   2.518
  144    HB2  MET  23           HB2      MET  23  -1.889  -6.899   1.386
  145    HB3  MET  23           HB1      MET  23  -1.706  -5.323   2.144
  146    HG2  MET  23           HG2      MET  23  -2.962  -7.444   3.770
  147    HG3  MET  23           HG1      MET  23  -1.245  -7.619   3.414
  148    HE1  MET  23           HE1      MET  23  -1.153  -7.852   5.777
  149    HE2  MET  23           HE2      MET  23  -1.373  -6.608   7.007
  150    HE3  MET  23           HE3      MET  23   0.121  -6.669   6.072
  151    H    ASP  24           HN       ASP  24  -5.267  -4.861   3.564
  152    HA   ASP  24           HA       ASP  24  -5.666  -2.331   2.457
  153    HB2  ASP  24           HB2      ASP  24  -5.758  -3.086   5.385
  154    HB3  ASP  24           HB1      ASP  24  -6.517  -1.676   4.653
  155    H    CYS  25           HN       CYS  25  -5.030  -0.247   3.616
  156    HA   CYS  25           HA       CYS  25  -2.179  -0.044   3.540
  157    HB2  CYS  25           HB2      CYS  25  -4.398   1.732   3.348
  158    HB3  CYS  25           HB1      CYS  25  -3.344   2.325   4.628
  159    H    ALA  26           HN       ALA  26  -4.543  -0.442   6.037
  160    HA   ALA  26           HA       ALA  26  -2.989   0.565   8.197
  161    HB1  ALA  26           HB1      ALA  26  -5.406   0.378   8.363
  162    HB2  ALA  26           HB2      ALA  26  -4.627  -0.573   9.628
  163    HB3  ALA  26           HB3      ALA  26  -5.298  -1.375   8.207
  164    H    SER  27           HN       SER  27  -1.024  -0.657   7.219
  165    HA   SER  27           HA       SER  27  -0.197  -2.596   9.044
  166    HB2  SER  27           HB2      SER  27  -1.918  -3.808   7.358
  167    HB3  SER  27           HB1      SER  27  -0.424  -4.006   6.443
  168    HG   SER  27           HG       SER  27   0.400  -5.235   8.016
  169    H    CYS  28           HN       CYS  28   0.796  -0.241   7.801
  170    HA   CYS  28           HA       CYS  28   3.398  -1.166   7.072
  171    HB2  CYS  28           HB2      CYS  28   1.940  -1.194   4.937
  172    HB3  CYS  28           HB1      CYS  28   2.038   0.560   5.023
  173    H    ARG  29           HN       ARG  29   2.469   0.353   9.207
  174    HA   ARG  29           HA       ARG  29   2.905   3.148   8.697
  175    HB2  ARG  29           HB2      ARG  29   2.325   1.474  11.099
  176    HB3  ARG  29           HB1      ARG  29   3.012   3.074  11.345
  177    HG2  ARG  29           HG2      ARG  29   0.741   2.989   9.492
  178    HG3  ARG  29           HG1      ARG  29   0.365   2.540  11.157
  179    HD2  ARG  29           HD2      ARG  29   1.460   4.635  11.912
  180    HD3  ARG  29           HD1      ARG  29   1.678   5.089  10.222
  181    HE   ARG  29           HE       ARG  29  -0.514   5.720  10.159
  182   HH11  ARG  29          HH11      ARG  29  -0.050   3.614  12.903
  183   HH12  ARG  29          HH12      ARG  29  -1.651   3.853  13.516
  184   HH21  ARG  29          HH21      ARG  29  -2.621   6.035  10.964
  185   HH22  ARG  29          HH22      ARG  29  -3.113   5.227  12.415
  186    H    ALA  30           HN       ALA  30   4.995   0.601   8.836
  187    HA   ALA  30           HA       ALA  30   7.306   2.174   8.887
  188    HB1  ALA  30           HB1      ALA  30   7.359   0.566  11.369
  189    HB2  ALA  30           HB2      ALA  30   6.411   2.053  11.400
  190    HB3  ALA  30           HB3      ALA  30   8.127   2.109  10.998
  191    H    ARG  31           HN       ARG  31   5.849  -0.975   9.445
  192    HA   ARG  31           HA       ARG  31   8.179  -2.520   9.012
  193    HB2  ARG  31           HB2      ARG  31   5.302  -3.006   9.304
  194    HB3  ARG  31           HB1      ARG  31   6.115  -4.167   8.265
  195    HG2  ARG  31           HG2      ARG  31   6.023  -4.929  10.579
  196    HG3  ARG  31           HG1      ARG  31   7.686  -4.691  10.040
  197    HD2  ARG  31           HD2      ARG  31   7.099  -2.245  11.072
  198    HD3  ARG  31           HD1      ARG  31   6.154  -3.300  12.122
  199    HE   ARG  31           HE       ARG  31   9.017  -3.065  12.020
  200   HH11  ARG  31          HH11      ARG  31   6.345  -5.139  12.881
  201   HH12  ARG  31          HH12      ARG  31   7.265  -6.060  14.022
  202   HH21  ARG  31          HH21      ARG  31  10.229  -4.274  13.521
  203   HH22  ARG  31          HH22      ARG  31   9.470  -5.569  14.387
  204    HA   PRO  32           HA       PRO  32   8.124  -1.891   4.543
  205    HB2  PRO  32           HB2      PRO  32  10.699  -2.416   4.095
  206    HB3  PRO  32           HB1      PRO  32  10.209  -0.929   4.915
  207    HG2  PRO  32           HG2      PRO  32  11.323  -3.451   6.065
  208    HG3  PRO  32           HG1      PRO  32  11.660  -1.770   6.513
  209    HD2  PRO  32           HD2      PRO  32   9.896  -3.471   7.836
  210    HD3  PRO  32           HD1      PRO  32   9.905  -1.702   7.960
  211    H    HIS  33           HN       HIS  33   9.603  -3.389   2.836
  212    HA   HIS  33           HA       HIS  33   9.740  -5.374   1.745
  213    HB2  HIS  33           HB2      HIS  33   9.865  -6.159   4.581
  214    HB3  HIS  33           HB1      HIS  33   9.315  -7.433   3.497
  215    HD1  HIS  33           HD1      HIS  33  11.171  -6.607   1.076
  216    HD2  HIS  33           HD2      HIS  33  12.394  -7.163   5.009
  217    HE1  HIS  33           HE1      HIS  33  13.627  -7.132   0.948
  218    HE2  HIS  33           HE2      HIS  33  14.363  -7.375   3.346
  219    H    SER  34           HN       SER  34   7.538  -4.301   1.148
  220    HA   SER  34           HA       SER  34   5.648  -6.442   0.958
  221    HB2  SER  34           HB2      SER  34   5.149  -4.108   2.740
  222    HB3  SER  34           HB1      SER  34   3.800  -4.702   1.769
  223    HG   SER  34           HG       SER  34   4.606  -5.669   4.035
  224    H    ASP  35           HN       ASP  35   4.967  -6.416  -1.068
  225    HA   ASP  35           HA       ASP  35   5.465  -4.278  -2.832
  226    HB2  ASP  35           HB2      ASP  35   3.901  -6.833  -3.039
  227    HB3  ASP  35           HB1      ASP  35   3.848  -5.650  -4.342
  228    H    PHE  36           HN       PHE  36   2.731  -5.084  -0.839
  229    HA   PHE  36           HA       PHE  36   0.831  -3.477  -2.231
  230    HB2  PHE  36           HB2      PHE  36  -0.604  -3.811  -0.296
  231    HB3  PHE  36           HB1      PHE  36   0.165  -5.330  -0.743
  232    HD1  PHE  36           HD1      PHE  36   0.361  -2.498   1.638
  233    HD2  PHE  36           HD2      PHE  36   1.430  -6.532   0.806
  234    HE1  PHE  36           HE1      PHE  36   1.182  -2.751   3.944
  235    HE2  PHE  36           HE2      PHE  36   2.252  -6.793   3.110
  236    HZ   PHE  36           HZ       PHE  36   2.127  -4.902   4.682
  237    H    CYS  37           HN       CYS  37   3.393  -2.767  -0.080
  238    HA   CYS  37           HA       CYS  37   2.300  -0.329   0.969
  239    HB2  CYS  37           HB2      CYS  37   5.094  -1.477   0.957
  240    HB3  CYS  37           HB1      CYS  37   4.685   0.058   1.714
  241    H    LEU  38           HN       LEU  38   4.311  -1.260  -1.746
  242    HA   LEU  38           HA       LEU  38   5.232   1.313  -2.449
  243    HB2  LEU  38           HB2      LEU  38   5.602  -1.272  -3.375
  244    HB3  LEU  38           HB1      LEU  38   4.796  -0.474  -4.711
  245    HG   LEU  38           HG       LEU  38   7.323   0.525  -3.398
  246   HD11  LEU  38          HD11      LEU  38   8.028  -1.390  -4.484
  247   HD12  LEU  38          HD12      LEU  38   8.236  -0.154  -5.725
  248   HD13  LEU  38          HD13      LEU  38   6.835  -1.224  -5.772
  249   HD21  LEU  38          HD21      LEU  38   6.573   2.429  -4.355
  250   HD22  LEU  38          HD22      LEU  38   5.508   1.578  -5.473
  251   HD23  LEU  38          HD23      LEU  38   7.235   1.692  -5.815
  252    H    GLY  39           HN       GLY  39   2.249  -0.394  -3.070
  253    HA2  GLY  39           HA2      GLY  39   1.359   1.654  -4.959
  254    HA3  GLY  39           HA1      GLY  39   0.517   0.163  -4.572
  255    H    CYS  40           HN       CYS  40   0.909   0.698  -1.656
  256    HA   CYS  40           HA       CYS  40  -1.386   2.488  -1.361
  257    HB2  CYS  40           HB2      CYS  40  -1.019   0.043  -0.316
  258    HB3  CYS  40           HB1      CYS  40  -0.301   1.003   0.973
  259    H    ALA  41           HN       ALA  41   1.342   3.471  -1.839
  260    HA   ALA  41           HA       ALA  41   1.372   5.509   0.144
  261    HB1  ALA  41           HB1      ALA  41   2.916   4.798   1.575
  262    HB2  ALA  41           HB2      ALA  41   4.021   4.380   0.265
  263    HB3  ALA  41           HB3      ALA  41   2.811   3.216   0.803
  264    H    ALA  42           HN       ALA  42   1.185   6.782  -1.738
  265    HA   ALA  42           HA       ALA  42   3.183   6.698  -3.794
  266    HB1  ALA  42           HB1      ALA  42   2.014   8.944  -4.406
  267    HB2  ALA  42           HB2      ALA  42   0.823   8.433  -3.210
  268    HB3  ALA  42           HB3      ALA  42   1.152   7.419  -4.616
  269    H    ALA  43           HN       ALA  43   4.984   6.894  -2.186
  270    HA   ALA  43           HA       ALA  43   5.661   9.733  -1.842
  271    HB1  ALA  43           HB1      ALA  43   6.941   8.659   0.279
  272    HB2  ALA  43           HB2      ALA  43   5.496   7.650   0.231
  273    HB3  ALA  43           HB3      ALA  43   5.343   9.402   0.364
  274    HA   PRO  44           HA       PRO  44   9.598   9.051  -3.674
  275    HB2  PRO  44           HB2      PRO  44  10.865   9.924  -1.119
  276    HB3  PRO  44           HB1      PRO  44  11.132  10.509  -2.765
  277    HG2  PRO  44           HG2      PRO  44   9.704  11.940  -1.034
  278    HG3  PRO  44           HG1      PRO  44   9.232  11.841  -2.741
  279    HD2  PRO  44           HD2      PRO  44   8.042  10.493  -0.360
  280    HD3  PRO  44           HD1      PRO  44   7.248  11.115  -1.821
  281    HA   PRO  45           HA       PRO  45  11.581   5.254  -2.628
  282    HB2  PRO  45           HB2      PRO  45  14.124   6.694  -2.026
  283    HB3  PRO  45           HB1      PRO  45  13.837   5.316  -3.096
  284    HG2  PRO  45           HG2      PRO  45  14.209   7.752  -4.099
  285    HG3  PRO  45           HG1      PRO  45  13.016   6.649  -4.810
  286    HD2  PRO  45           HD2      PRO  45  12.593   9.030  -3.064
  287    HD3  PRO  45           HD1      PRO  45  11.601   8.419  -4.403
  288    H    ALA  46           HN       ALA  46  12.538   7.891  -0.447
  289    HA   ALA  46           HA       ALA  46  12.055   6.088   1.821
  290    HB1  ALA  46           HB1      ALA  46  14.027   7.587   2.851
  291    HB2  ALA  46           HB2      ALA  46  14.535   7.548   1.162
  292    HB3  ALA  46           HB3      ALA  46  14.304   6.041   2.048
  293    HA   PRO  47           HA       PRO  47   9.603   9.560   3.135
  294    HB2  PRO  47           HB2      PRO  47   8.965   8.706   5.608
  295    HB3  PRO  47           HB1      PRO  47   8.278   7.966   4.156
  296    HG2  PRO  47           HG2      PRO  47  10.541   7.022   5.875
  297    HG3  PRO  47           HG1      PRO  47   9.208   6.090   5.169
  298    HD2  PRO  47           HD2      PRO  47  11.711   6.180   4.089
  299    HD3  PRO  47           HD1      PRO  47  10.243   5.922   3.127
  300    H    PHE  48           HN       PHE  48  10.139  11.489   3.950
  301    HA   PHE  48           HA       PHE  48  11.249  13.130   5.066
  302    HB2  PHE  48           HB2      PHE  48  10.717  11.063   6.991
  303    HB3  PHE  48           HB1      PHE  48  12.259  11.824   7.365
  304    HD1  PHE  48           HD1      PHE  48   8.843  12.881   6.285
  305    HD2  PHE  48           HD2      PHE  48  12.182  13.575   8.831
  306    HE1  PHE  48           HE1      PHE  48   7.653  14.767   7.325
  307    HE2  PHE  48           HE2      PHE  48  10.998  15.463   9.876
  308    HZ   PHE  48           HZ       PHE  48   8.730  16.060   9.124
  309    H    ARG  49           HN       ARG  49  13.506  13.181   6.638
  310    HA   ARG  49           HA       ARG  49  15.778  13.163   6.562
  311    HB2  ARG  49           HB2      ARG  49  15.011  10.528   5.543
  312    HB3  ARG  49           HB1      ARG  49  16.578  11.069   4.957
  313    HG2  ARG  49           HG2      ARG  49  16.858  11.654   7.554
  314    HG3  ARG  49           HG1      ARG  49  15.727  10.305   7.675
  315    HD2  ARG  49           HD2      ARG  49  17.695   9.152   7.703
  316    HD3  ARG  49           HD1      ARG  49  17.410   9.204   5.963
  317    HE   ARG  49           HE       ARG  49  18.960  11.414   6.950
  318   HH11  ARG  49          HH11      ARG  49  19.083   8.127   5.787
  319   HH12  ARG  49          HH12      ARG  49  20.735   8.237   5.279
  320   HH21  ARG  49          HH21      ARG  49  21.132  11.561   6.282
  321   HH22  ARG  49          HH22      ARG  49  21.898  10.185   5.559
  322    H    LEU  50           HN       LEU  50  17.155  14.366   5.410
  323    HA   LEU  50           HA       LEU  50  18.038  15.582   3.705
  324    HB2  LEU  50           HB2      LEU  50  16.968  13.498   1.820
  325    HB3  LEU  50           HB1      LEU  50  18.376  14.522   1.615
  326    HG   LEU  50           HG       LEU  50  18.918  13.069   3.933
  327   HD11  LEU  50          HD11      LEU  50  16.915  11.662   2.975
  328   HD12  LEU  50          HD12      LEU  50  18.342  10.875   3.646
  329   HD13  LEU  50          HD13      LEU  50  18.162  11.034   1.899
  330   HD21  LEU  50          HD21      LEU  50  20.342  11.752   2.087
  331   HD22  LEU  50          HD22      LEU  50  20.751  13.376   2.643
  332   HD23  LEU  50          HD23      LEU  50  19.863  13.157   1.134
  333    H    LEU  51           HN       LEU  51  16.071  16.939   4.382
  334    HA   LEU  51           HA       LEU  51  14.184  17.221   2.148
  335    HB2  LEU  51           HB2      LEU  51  14.058  17.891   5.053
  336    HB3  LEU  51           HB1      LEU  51  13.098  18.833   3.928
  337    HG   LEU  51           HG       LEU  51  12.309  16.441   3.117
  338   HD11  LEU  51          HD11      LEU  51  13.368  14.875   4.358
  339   HD12  LEU  51          HD12      LEU  51  12.040  15.206   5.472
  340   HD13  LEU  51          HD13      LEU  51  13.612  15.963   5.724
  341   HD21  LEU  51          HD21      LEU  51  11.156  18.458   4.441
  342   HD22  LEU  51          HD22      LEU  51  11.088  17.218   5.694
  343   HD23  LEU  51          HD23      LEU  51  10.340  16.927   4.123
  344    H    TRP  52           HN       TRP  52  13.823  19.231   1.185
  345    HA   TRP  52           HA       TRP  52  16.109  21.030   1.338
  346    HB2  TRP  52           HB2      TRP  52  14.025  20.429  -0.684
  347    HB3  TRP  52           HB1      TRP  52  14.634  22.081  -0.652
  348    HD1  TRP  52           HD1      TRP  52  15.191  19.318  -2.678
  349    HE1  TRP  52           HE1      TRP  52  17.626  19.070  -3.473
  350    HE3  TRP  52           HE3      TRP  52  17.479  22.352   0.745
  351    HZ2  TRP  52           HZ2      TRP  52  20.178  20.031  -2.746
  352    HZ3  TRP  52           HZ3      TRP  52  19.920  22.633   0.626
  353    HH2  TRP  52           HH2      TRP  52  21.241  21.496  -1.084
  354    HA   PRO  53           HA       PRO  53  12.661  24.239   2.137
  355    HB2  PRO  53           HB2      PRO  53  10.072  23.491   2.178
  356    HB3  PRO  53           HB1      PRO  53  10.911  23.890   0.675
  357    HG2  PRO  53           HG2      PRO  53  10.309  21.204   1.852
  358    HG3  PRO  53           HG1      PRO  53  10.168  21.744   0.170
  359    HD2  PRO  53           HD2      PRO  53  12.276  20.295   1.098
  360    HD3  PRO  53           HD1      PRO  53  12.406  21.447  -0.245
  Start of MODEL    3
    1    H1   GLU   1           HT1      GLU   1 -24.730   3.754  -6.730
    2    H2   GLU   1           HT2      GLU   1 -23.454   4.753  -6.166
    3    H3   GLU   1           HT3      GLU   1 -25.054   4.999  -5.598
    4    HA   GLU   1           HA       GLU   1 -25.020   3.248  -4.238
    5    HB2  GLU   1           HB2      GLU   1 -23.238   1.405  -4.613
    6    HB3  GLU   1           HB1      GLU   1 -24.622   1.472  -5.693
    7    HG2  GLU   1           HG2      GLU   1 -23.224   1.510  -7.402
    8    HG3  GLU   1           HG1      GLU   1 -22.660   3.091  -6.867
    9    H    GLN   2           HN       GLN   2 -21.750   4.049  -5.429
   10    HA   GLN   2           HA       GLN   2 -19.936   4.941  -4.388
   11    HB2  GLN   2           HB2      GLN   2 -22.066   6.257  -3.242
   12    HB3  GLN   2           HB1      GLN   2 -21.216   5.619  -1.841
   13    HG2  GLN   2           HG2      GLN   2 -19.903   7.395  -1.970
   14    HG3  GLN   2           HG1      GLN   2 -19.200   6.665  -3.412
   15   HE21  GLN   2          HE21      GLN   2 -18.763   8.885  -4.015
   16   HE22  GLN   2          HE22      GLN   2 -20.000   9.811  -4.789
   17    H    ALA   3           HN       ALA   3 -21.768   3.746  -1.574
   18    HA   ALA   3           HA       ALA   3 -21.230   2.258   0.062
   19    HB1  ALA   3           HB1      ALA   3 -21.425   0.760  -1.958
   20    HB2  ALA   3           HB2      ALA   3 -20.460   0.128  -0.625
   21    HB3  ALA   3           HB3      ALA   3 -19.664   0.796  -2.050
   22    HA   PRO   4           HA       PRO   4 -17.021   4.160   0.626
   23    HB2  PRO   4           HB2      PRO   4 -17.560   5.306   3.023
   24    HB3  PRO   4           HB1      PRO   4 -17.923   6.094   1.483
   25    HG2  PRO   4           HG2      PRO   4 -19.748   4.581   3.313
   26    HG3  PRO   4           HG1      PRO   4 -20.035   6.109   2.458
   27    HD2  PRO   4           HD2      PRO   4 -20.989   3.735   1.566
   28    HD3  PRO   4           HD1      PRO   4 -20.523   5.051   0.470
   29    H    GLY   5           HN       GLY   5 -15.620   3.989   2.696
   30    HA2  GLY   5           HA2      GLY   5 -14.925   2.776   4.582
   31    HA3  GLY   5           HA1      GLY   5 -16.302   1.704   4.373
   32    H    THR   6           HN       THR   6 -16.200   0.240   2.450
   33    HA   THR   6           HA       THR   6 -13.476  -0.822   2.225
   34    HB   THR   6           HB       THR   6 -16.033  -2.203   1.414
   35    HG1  THR   6           HG1      THR   6 -16.227  -1.751   3.587
   36   HG21  THR   6          HG21      THR   6 -14.488  -4.176   2.231
   37   HG22  THR   6          HG22      THR   6 -13.217  -3.050   1.757
   38   HG23  THR   6          HG23      THR   6 -14.424  -3.564   0.578
   39    H    ALA   7           HN       ALA   7 -12.398  -0.856   0.347
   40    HA   ALA   7           HA       ALA   7 -13.865  -0.108  -2.100
   41    HB1  ALA   7           HB1      ALA   7 -12.608   1.768  -1.886
   42    HB2  ALA   7           HB2      ALA   7 -11.413   0.758  -2.701
   43    HB3  ALA   7           HB3      ALA   7 -11.353   0.956  -0.949
   44    HA   PRO   8           HA       PRO   8 -12.104  -3.662  -4.032
   45    HB2  PRO   8           HB2      PRO   8 -11.807  -2.891  -6.589
   46    HB3  PRO   8           HB1      PRO   8 -13.403  -3.064  -5.847
   47    HG2  PRO   8           HG2      PRO   8 -11.799  -0.586  -6.336
   48    HG3  PRO   8           HG1      PRO   8 -13.535  -0.859  -6.568
   49    HD2  PRO   8           HD2      PRO   8 -12.465   0.398  -4.380
   50    HD3  PRO   8           HD1      PRO   8 -14.012  -0.470  -4.362
   51    H    CYS   9           HN       CYS   9 -10.095  -2.546  -2.586
   52    HA   CYS   9           HA       CYS   9  -7.844  -2.217  -2.423
   53    HB2  CYS   9           HB2      CYS   9  -8.062  -4.302  -4.587
   54    HB3  CYS   9           HB1      CYS   9  -6.508  -3.786  -3.941
   55    H    SER  10           HN       SER  10  -9.160  -0.271  -4.037
   56    HA   SER  10           HA       SER  10  -6.861   0.671  -5.545
   57    HB2  SER  10           HB2      SER  10  -8.854   1.347  -7.306
   58    HB3  SER  10           HB1      SER  10  -7.752  -0.015  -7.506
   59    HG   SER  10           HG       SER  10  -9.845  -0.764  -7.703
   60    H    ARG  11           HN       ARG  11  -8.300   1.407  -3.085
   61    HA   ARG  11           HA       ARG  11  -8.394   4.229  -3.531
   62    HB2  ARG  11           HB2      ARG  11 -10.860   2.730  -3.659
   63    HB3  ARG  11           HB1      ARG  11 -10.894   3.843  -2.298
   64    HG2  ARG  11           HG2      ARG  11 -11.642   5.294  -3.835
   65    HG3  ARG  11           HG1      ARG  11  -9.929   5.467  -4.222
   66    HD2  ARG  11           HD2      ARG  11 -10.888   3.212  -5.635
   67    HD3  ARG  11           HD1      ARG  11 -12.056   4.510  -5.869
   68    HE   ARG  11           HE       ARG  11  -9.371   4.384  -6.892
   69   HH11  ARG  11          HH11      ARG  11 -12.020   6.493  -6.039
   70   HH12  ARG  11          HH12      ARG  11 -11.500   7.772  -7.083
   71   HH21  ARG  11          HH21      ARG  11  -8.688   6.067  -8.265
   72   HH22  ARG  11          HH22      ARG  11  -9.610   7.531  -8.348
   73    H    GLY  12           HN       GLY  12  -6.990   2.291  -1.879
   74    HA2  GLY  12           HA2      GLY  12  -6.603   3.625   0.450
   75    HA3  GLY  12           HA1      GLY  12  -7.980   2.596   0.815
   76    H    SER  13           HN       SER  13  -7.025   0.463  -0.975
   77    HA   SER  13           HA       SER  13  -4.775  -0.517   0.659
   78    HB2  SER  13           HB2      SER  13  -6.887  -2.275  -0.593
   79    HB3  SER  13           HB1      SER  13  -5.697  -2.713   0.633
   80    HG   SER  13           HG       SER  13  -7.809  -0.848   0.992
   81    H    SER  14           HN       SER  14  -4.054  -2.744  -0.663
   82    HA   SER  14           HA       SER  14  -3.850  -2.288  -3.484
   83    HB2  SER  14           HB2      SER  14  -2.097  -0.786  -2.370
   84    HB3  SER  14           HB1      SER  14  -1.263  -2.280  -1.944
   85    HG   SER  14           HG       SER  14  -1.127  -2.769  -4.153
   86    H    TRP  15           HN       TRP  15  -2.837  -4.034  -4.617
   87    HA   TRP  15           HA       TRP  15  -3.273  -6.564  -3.338
   88    HB2  TRP  15           HB2      TRP  15  -3.902  -6.665  -5.557
   89    HB3  TRP  15           HB1      TRP  15  -2.588  -5.626  -6.090
   90    HD1  TRP  15           HD1      TRP  15  -0.358  -6.780  -6.861
   91    HE1  TRP  15           HE1      TRP  15   0.315  -9.228  -7.275
   92    HE3  TRP  15           HE3      TRP  15  -4.330  -9.110  -4.636
   93    HZ2  TRP  15           HZ2      TRP  15  -0.702 -11.802  -6.730
   94    HZ3  TRP  15           HZ3      TRP  15  -4.406 -11.565  -4.631
   95    HH2  TRP  15           HH2      TRP  15  -2.628 -12.884  -5.658
   96    H    SER  16           HN       SER  16  -1.606  -8.331  -3.507
   97    HA   SER  16           HA       SER  16   1.139  -7.440  -3.373
   98    HB2  SER  16           HB2      SER  16   0.446  -9.201  -1.119
   99    HB3  SER  16           HB1      SER  16   1.505  -7.792  -1.165
  100    HG   SER  16           HG       SER  16  -1.230  -7.954  -0.655
  101    H    ALA  17           HN       ALA  17   2.244  -8.780  -4.619
  102    HA   ALA  17           HA       ALA  17   1.217 -11.415  -5.229
  103    HB1  ALA  17           HB1      ALA  17   3.625  -9.911  -6.241
  104    HB2  ALA  17           HB2      ALA  17   2.081 -10.137  -7.063
  105    HB3  ALA  17           HB3      ALA  17   3.148 -11.515  -6.797
  106    H    ASP  18           HN       ASP  18   3.591 -10.005  -3.158
  107    HA   ASP  18           HA       ASP  18   5.450 -12.024  -2.856
  108    HB2  ASP  18           HB2      ASP  18   5.040  -9.633  -1.651
  109    HB3  ASP  18           HB1      ASP  18   4.573 -10.722  -0.348
  110    H    LEU  19           HN       LEU  19   2.142 -11.926  -1.814
  111    HA   LEU  19           HA       LEU  19   2.373 -14.682  -0.910
  112    HB2  LEU  19           HB2      LEU  19   0.930 -14.098   1.107
  113    HB3  LEU  19           HB1      LEU  19   2.630 -13.682   1.184
  114    HG   LEU  19           HG       LEU  19   1.204 -11.449   0.112
  115   HD11  LEU  19          HD11      LEU  19  -0.555 -12.844   1.607
  116   HD12  LEU  19          HD12      LEU  19  -0.562 -11.086   1.455
  117   HD13  LEU  19          HD13      LEU  19   0.206 -11.848   2.848
  118   HD21  LEU  19          HD21      LEU  19   2.921 -12.077   2.456
  119   HD22  LEU  19          HD22      LEU  19   2.013 -10.565   2.462
  120   HD23  LEU  19          HD23      LEU  19   3.157 -10.901   1.163
  121    H    ASP  20           HN       ASP  20   1.086 -13.011  -3.094
  122    HA   ASP  20           HA       ASP  20  -0.915 -12.790  -4.190
  123    HB2  ASP  20           HB2      ASP  20  -0.289 -15.532  -3.685
  124    HB3  ASP  20           HB1      ASP  20  -2.038 -15.348  -3.638
  125    H    LYS  21           HN       LYS  21  -1.792 -11.230  -2.703
  126    HA   LYS  21           HA       LYS  21  -4.402 -11.678  -1.957
  127    HB2  LYS  21           HB2      LYS  21  -2.529 -12.697   0.006
  128    HB3  LYS  21           HB1      LYS  21  -3.548 -11.442   0.699
  129    HG2  LYS  21           HG2      LYS  21  -5.353 -12.754   0.712
  130    HG3  LYS  21           HG1      LYS  21  -5.024 -13.380  -0.905
  131    HD2  LYS  21           HD2      LYS  21  -4.886 -15.221   0.594
  132    HD3  LYS  21           HD1      LYS  21  -3.233 -14.813   0.128
  133    HE2  LYS  21           HE2      LYS  21  -3.251 -13.352   2.264
  134    HE3  LYS  21           HE1      LYS  21  -4.639 -14.334   2.729
  135    HZ1  LYS  21           HZ1      LYS  21  -2.327 -15.078   3.475
  136    HZ2  LYS  21           HZ2      LYS  21  -2.106 -15.590   1.878
  137    HZ3  LYS  21           HZ3      LYS  21  -3.354 -16.249   2.812
  138    H    CYS  22           HN       CYS  22  -5.406  -9.802  -1.329
  139    HA   CYS  22           HA       CYS  22  -4.005  -7.382  -1.719
  140    HB2  CYS  22           HB2      CYS  22  -6.757  -8.201  -1.161
  141    HB3  CYS  22           HB1      CYS  22  -6.335  -6.662  -0.417
  142    H    MET  23           HN       MET  23  -3.942  -5.578  -0.136
  143    HA   MET  23           HA       MET  23  -3.982  -6.203   2.652
  144    HB2  MET  23           HB2      MET  23  -1.595  -6.728   1.266
  145    HB3  MET  23           HB1      MET  23  -1.315  -5.230   2.143
  146    HG2  MET  23           HG2      MET  23  -1.252  -6.259   4.120
  147    HG3  MET  23           HG1      MET  23  -2.626  -7.293   3.736
  148    HE1  MET  23           HE1      MET  23   0.808  -7.666   4.974
  149    HE2  MET  23           HE2      MET  23   0.664  -9.420   4.851
  150    HE3  MET  23           HE3      MET  23  -0.668  -8.470   5.509
  151    H    ASP  24           HN       ASP  24  -4.712  -4.439   3.613
  152    HA   ASP  24           HA       ASP  24  -4.913  -1.947   2.315
  153    HB2  ASP  24           HB2      ASP  24  -5.345  -2.821   5.164
  154    HB3  ASP  24           HB1      ASP  24  -5.546  -1.143   4.672
  155    H    CYS  25           HN       CYS  25  -4.170   0.116   3.547
  156    HA   CYS  25           HA       CYS  25  -1.300   0.079   3.522
  157    HB2  CYS  25           HB2      CYS  25  -3.280   2.002   3.075
  158    HB3  CYS  25           HB1      CYS  25  -2.451   2.543   4.531
  159    H    ALA  26           HN       ALA  26  -3.749  -0.142   5.935
  160    HA   ALA  26           HA       ALA  26  -2.477   0.915   8.170
  161    HB1  ALA  26           HB1      ALA  26  -4.015  -1.560   8.611
  162    HB2  ALA  26           HB2      ALA  26  -4.856  -0.271   7.750
  163    HB3  ALA  26           HB3      ALA  26  -4.183   0.031   9.352
  164    H    SER  27           HN       SER  27  -2.554  -2.524   7.211
  165    HA   SER  27           HA       SER  27  -0.555  -3.280   9.073
  166    HB2  SER  27           HB2      SER  27  -1.364  -4.811   6.598
  167    HB3  SER  27           HB1      SER  27  -0.681  -5.459   8.089
  168    HG   SER  27           HG       SER  27  -2.602  -5.478   8.936
  169    H    CYS  28           HN       CYS  28   0.845  -1.374   8.254
  170    HA   CYS  28           HA       CYS  28   3.048  -2.497   6.847
  171    HB2  CYS  28           HB2      CYS  28   1.178  -1.460   5.182
  172    HB3  CYS  28           HB1      CYS  28   2.162  -0.032   5.484
  173    H    ARG  29           HN       ARG  29   2.680  -1.413   9.410
  174    HA   ARG  29           HA       ARG  29   4.215   1.095   9.259
  175    HB2  ARG  29           HB2      ARG  29   1.970   1.191  10.383
  176    HB3  ARG  29           HB1      ARG  29   2.596   0.091  11.603
  177    HG2  ARG  29           HG2      ARG  29   4.178   2.531  11.087
  178    HG3  ARG  29           HG1      ARG  29   2.615   2.745  11.876
  179    HD2  ARG  29           HD2      ARG  29   4.208   0.545  12.963
  180    HD3  ARG  29           HD1      ARG  29   4.961   2.129  13.142
  181    HE   ARG  29           HE       ARG  29   2.390   2.501  13.974
  182   HH11  ARG  29          HH11      ARG  29   4.969   0.329  14.874
  183   HH12  ARG  29          HH12      ARG  29   4.450   0.194  16.520
  184   HH21  ARG  29          HH21      ARG  29   1.706   2.325  16.139
  185   HH22  ARG  29          HH22      ARG  29   2.597   1.327  17.239
  186    H    ALA  30           HN       ALA  30   4.185  -2.166  10.427
  187    HA   ALA  30           HA       ALA  30   6.703  -1.687  11.874
  188    HB1  ALA  30           HB1      ALA  30   6.237  -3.817  13.037
  189    HB2  ALA  30           HB2      ALA  30   4.701  -3.920  12.175
  190    HB3  ALA  30           HB3      ALA  30   4.991  -2.597  13.306
  191    H    ARG  31           HN       ARG  31   5.181  -3.494   9.308
  192    HA   ARG  31           HA       ARG  31   7.786  -4.737   8.706
  193    HB2  ARG  31           HB2      ARG  31   5.023  -5.823   8.134
  194    HB3  ARG  31           HB1      ARG  31   6.529  -6.569   7.617
  195    HG2  ARG  31           HG2      ARG  31   6.016  -7.775   9.507
  196    HG3  ARG  31           HG1      ARG  31   7.110  -6.546  10.146
  197    HD2  ARG  31           HD2      ARG  31   5.495  -5.561  11.364
  198    HD3  ARG  31           HD1      ARG  31   4.276  -5.777  10.108
  199    HE   ARG  31           HE       ARG  31   5.005  -8.214  11.448
  200   HH11  ARG  31          HH11      ARG  31   2.927  -5.412  11.533
  201   HH12  ARG  31          HH12      ARG  31   1.717  -6.184  12.502
  202   HH21  ARG  31          HH21      ARG  31   3.414  -9.231  12.721
  203   HH22  ARG  31          HH22      ARG  31   1.992  -8.352  13.176
  204    HA   PRO  32           HA       PRO  32   6.592  -1.991   5.152
  205    HB2  PRO  32           HB2      PRO  32   8.862  -0.555   5.035
  206    HB3  PRO  32           HB1      PRO  32   7.560  -0.148   6.159
  207    HG2  PRO  32           HG2      PRO  32  10.115  -1.620   6.672
  208    HG3  PRO  32           HG1      PRO  32   9.323  -0.376   7.656
  209    HD2  PRO  32           HD2      PRO  32   9.146  -3.059   8.168
  210    HD3  PRO  32           HD1      PRO  32   7.901  -1.884   8.634
  211    H    HIS  33           HN       HIS  33   6.806  -4.171   4.150
  212    HA   HIS  33           HA       HIS  33   8.921  -4.150   2.219
  213    HB2  HIS  33           HB2      HIS  33   9.031  -5.982   4.543
  214    HB3  HIS  33           HB1      HIS  33   9.342  -6.713   2.972
  215    HD1  HIS  33           HD1      HIS  33  11.018  -5.021   5.653
  216    HD2  HIS  33           HD2      HIS  33  11.490  -5.208   1.528
  217    HE1  HIS  33           HE1      HIS  33  13.366  -4.238   5.209
  218    HE2  HIS  33           HE2      HIS  33  13.600  -4.277   2.701
  219    H    SER  34           HN       SER  34   6.581  -3.849   1.371
  220    HA   SER  34           HA       SER  34   5.839  -6.331   0.132
  221    HB2  SER  34           HB2      SER  34   4.477  -5.644   2.430
  222    HB3  SER  34           HB1      SER  34   3.440  -5.006   1.154
  223    HG   SER  34           HG       SER  34   3.071  -6.989   0.433
  224    H    ASP  35           HN       ASP  35   4.894  -6.061  -1.833
  225    HA   ASP  35           HA       ASP  35   5.266  -3.645  -3.185
  226    HB2  ASP  35           HB2      ASP  35   4.998  -6.077  -4.086
  227    HB3  ASP  35           HB1      ASP  35   3.283  -5.683  -4.141
  228    H    PHE  36           HN       PHE  36   2.461  -4.924  -1.505
  229    HA   PHE  36           HA       PHE  36   0.532  -3.195  -2.595
  230    HB2  PHE  36           HB2      PHE  36  -0.889  -3.832  -0.781
  231    HB3  PHE  36           HB1      PHE  36   0.055  -5.246  -1.231
  232    HD1  PHE  36           HD1      PHE  36   0.074  -2.407   1.187
  233    HD2  PHE  36           HD2      PHE  36   1.111  -6.461   0.413
  234    HE1  PHE  36           HE1      PHE  36   0.783  -2.669   3.528
  235    HE2  PHE  36           HE2      PHE  36   1.821  -6.729   2.753
  236    HZ   PHE  36           HZ       PHE  36   1.658  -4.832   4.314
  237    H    CYS  37           HN       CYS  37   3.101  -2.591  -0.418
  238    HA   CYS  37           HA       CYS  37   1.903  -0.244   0.769
  239    HB2  CYS  37           HB2      CYS  37   3.949  -1.944   1.517
  240    HB3  CYS  37           HB1      CYS  37   4.810  -0.498   1.006
  241    H    LEU  38           HN       LEU  38   4.581  -0.900  -1.484
  242    HA   LEU  38           HA       LEU  38   5.267   1.744  -2.035
  243    HB2  LEU  38           HB2      LEU  38   5.523  -0.819  -3.556
  244    HB3  LEU  38           HB1      LEU  38   5.956   0.694  -4.328
  245    HG   LEU  38           HG       LEU  38   7.950  -0.300  -3.449
  246   HD11  LEU  38          HD11      LEU  38   8.806   1.578  -2.539
  247   HD12  LEU  38          HD12      LEU  38   7.525   1.711  -1.334
  248   HD13  LEU  38          HD13      LEU  38   7.238   2.247  -2.989
  249   HD21  LEU  38          HD21      LEU  38   6.487  -1.548  -1.644
  250   HD22  LEU  38          HD22      LEU  38   6.983  -0.187  -0.639
  251   HD23  LEU  38          HD23      LEU  38   8.201  -1.227  -1.376
  252    H    GLY  39           HN       GLY  39   2.617  -0.200  -3.181
  253    HA2  GLY  39           HA2      GLY  39   1.943   1.610  -5.336
  254    HA3  GLY  39           HA1      GLY  39   1.022   0.204  -4.824
  255    H    CYS  40           HN       CYS  40   1.002   1.105  -2.010
  256    HA   CYS  40           HA       CYS  40  -1.363   2.728  -2.183
  257    HB2  CYS  40           HB2      CYS  40  -1.202   0.941  -0.519
  258    HB3  CYS  40           HB1      CYS  40   0.180   1.737   0.224
  259    H    ALA  41           HN       ALA  41   1.833   3.144  -0.662
  260    HA   ALA  41           HA       ALA  41   3.013   4.996  -0.070
  261    HB1  ALA  41           HB1      ALA  41   2.329   5.320  -2.657
  262    HB2  ALA  41           HB2      ALA  41   3.345   6.448  -1.758
  263    HB3  ALA  41           HB3      ALA  41   1.623   6.777  -1.957
  264    H    ALA  42           HN       ALA  42   2.492   5.656   1.926
  265    HA   ALA  42           HA       ALA  42   1.540   6.842   3.619
  266    HB1  ALA  42           HB1      ALA  42   0.918   8.517   1.233
  267    HB2  ALA  42           HB2      ALA  42   1.942   8.871   2.624
  268    HB3  ALA  42           HB3      ALA  42   0.187   8.927   2.785
  269    H    ALA  43           HN       ALA  43  -0.662   7.693   4.448
  270    HA   ALA  43           HA       ALA  43  -2.780   5.886   3.476
  271    HB1  ALA  43           HB1      ALA  43  -3.572   5.669   5.750
  272    HB2  ALA  43           HB2      ALA  43  -2.340   6.796   6.318
  273    HB3  ALA  43           HB3      ALA  43  -1.867   5.225   5.671
  274    HA   PRO  44           HA       PRO  44  -5.328   9.441   2.893
  275    HB2  PRO  44           HB2      PRO  44  -7.794   8.380   3.269
  276    HB3  PRO  44           HB1      PRO  44  -6.819   8.046   1.834
  277    HG2  PRO  44           HG2      PRO  44  -7.199   6.383   4.295
  278    HG3  PRO  44           HG1      PRO  44  -7.185   5.877   2.595
  279    HD2  PRO  44           HD2      PRO  44  -5.043   5.574   4.225
  280    HD3  PRO  44           HD1      PRO  44  -4.882   5.878   2.484
  281    HA   PRO  45           HA       PRO  45  -6.109  11.454   6.741
  282    HB2  PRO  45           HB2      PRO  45  -8.624  12.436   5.483
  283    HB3  PRO  45           HB1      PRO  45  -7.328  13.346   6.268
  284    HG2  PRO  45           HG2      PRO  45  -7.558  13.330   3.616
  285    HG3  PRO  45           HG1      PRO  45  -5.964  13.281   4.394
  286    HD2  PRO  45           HD2      PRO  45  -7.504  11.085   3.082
  287    HD3  PRO  45           HD1      PRO  45  -5.754  11.381   3.103
  288    H    ALA  46           HN       ALA  46  -8.065  11.878   8.286
  289    HA   ALA  46           HA       ALA  46  -9.551   9.347   8.499
  290    HB1  ALA  46           HB1      ALA  46  -8.750  11.281  10.670
  291    HB2  ALA  46           HB2      ALA  46  -7.998   9.722  10.330
  292    HB3  ALA  46           HB3      ALA  46  -9.662   9.791  10.910
  293    HA   PRO  47           HA       PRO  47 -13.158  11.904   7.742
  294    HB2  PRO  47           HB2      PRO  47 -15.012   9.947   7.946
  295    HB3  PRO  47           HB1      PRO  47 -13.974  10.127   6.526
  296    HG2  PRO  47           HG2      PRO  47 -13.700   8.258   8.849
  297    HG3  PRO  47           HG1      PRO  47 -13.480   7.932   7.120
  298    HD2  PRO  47           HD2      PRO  47 -11.403   8.358   8.815
  299    HD3  PRO  47           HD1      PRO  47 -11.352   8.807   7.099
  300    H    PHE  48           HN       PHE  48 -15.381  12.123   8.845
  301    HA   PHE  48           HA       PHE  48 -14.996  12.854  11.521
  302    HB2  PHE  48           HB2      PHE  48 -16.732  13.812  10.014
  303    HB3  PHE  48           HB1      PHE  48 -17.630  12.302  10.139
  304    HD1  PHE  48           HD2      PHE  48 -16.283  15.107  12.162
  305    HD2  PHE  48           HD1      PHE  48 -19.139  11.965  11.877
  306    HE1  PHE  48           HE2      PHE  48 -17.407  15.950  14.182
  307    HE2  PHE  48           HE1      PHE  48 -20.269  12.803  13.895
  308    HZ   PHE  48           HZ       PHE  48 -19.403  14.797  15.051
  309    H    ARG  49           HN       ARG  49 -16.275  12.048  13.390
  310    HA   ARG  49           HA       ARG  49 -16.821  10.416  14.877
  311    HB2  ARG  49           HB2      ARG  49 -18.485   9.900  12.994
  312    HB3  ARG  49           HB1      ARG  49 -17.394   8.594  12.549
  313    HG2  ARG  49           HG2      ARG  49 -19.016   7.591  13.893
  314    HG3  ARG  49           HG1      ARG  49 -17.621   7.799  14.956
  315    HD2  ARG  49           HD2      ARG  49 -18.624   9.818  15.888
  316    HD3  ARG  49           HD1      ARG  49 -20.004   9.644  14.806
  317    HE   ARG  49           HE       ARG  49 -19.523   8.209  17.248
  318   HH11  ARG  49          HH11      ARG  49 -21.159   8.134  14.165
  319   HH12  ARG  49          HH12      ARG  49 -22.377   7.025  14.698
  320   HH21  ARG  49          HH21      ARG  49 -21.125   6.749  17.949
  321   HH22  ARG  49          HH22      ARG  49 -22.357   6.237  16.846
  322    H    LEU  50           HN       LEU  50 -14.111  10.671  13.900
  323    HA   LEU  50           HA       LEU  50 -13.110   8.117  14.838
  324    HB2  LEU  50           HB2      LEU  50 -13.021   8.914  12.043
  325    HB3  LEU  50           HB1      LEU  50 -11.417   8.622  12.689
  326    HG   LEU  50           HG       LEU  50 -13.571   6.592  13.128
  327   HD11  LEU  50          HD11      LEU  50 -11.827   6.375  10.729
  328   HD12  LEU  50          HD12      LEU  50 -13.274   7.379  10.636
  329   HD13  LEU  50          HD13      LEU  50 -13.411   5.669  11.044
  330   HD21  LEU  50          HD21      LEU  50 -11.027   6.739  13.997
  331   HD22  LEU  50          HD22      LEU  50 -10.789   5.875  12.477
  332   HD23  LEU  50          HD23      LEU  50 -11.876   5.221  13.702
  333    H    LEU  51           HN       LEU  51 -10.810   8.187  15.358
  334    HA   LEU  51           HA       LEU  51 -10.095  10.753  16.461
  335    HB2  LEU  51           HB2      LEU  51  -9.162   7.959  16.733
  336    HB3  LEU  51           HB1      LEU  51  -7.956   9.202  17.005
  337    HG   LEU  51           HG       LEU  51 -10.555   9.485  18.421
  338   HD11  LEU  51          HD11      LEU  51  -8.511   7.807  19.746
  339   HD12  LEU  51          HD12      LEU  51  -9.513   7.036  18.517
  340   HD13  LEU  51          HD13      LEU  51 -10.266   7.805  19.913
  341   HD21  LEU  51          HD21      LEU  51  -8.291  10.923  18.432
  342   HD22  LEU  51          HD22      LEU  51  -7.932   9.794  19.738
  343   HD23  LEU  51          HD23      LEU  51  -9.373  10.808  19.820
  344    H    TRP  52           HN       TRP  52  -7.590  11.232  16.332
  345    HA   TRP  52           HA       TRP  52  -6.425  10.755  13.738
  346    HB2  TRP  52           HB2      TRP  52  -8.118  12.918  13.918
  347    HB3  TRP  52           HB1      TRP  52  -6.547  13.643  14.234
  348    HD1  TRP  52           HD1      TRP  52  -8.316  14.135  11.560
  349    HE1  TRP  52           HE1      TRP  52  -7.227  13.666   9.277
  350    HE3  TRP  52           HE3      TRP  52  -4.566  10.996  13.069
  351    HZ2  TRP  52           HZ2      TRP  52  -5.069  12.169   8.251
  352    HZ3  TRP  52           HZ3      TRP  52  -3.035  10.091  11.372
  353    HH2  TRP  52           HH2      TRP  52  -3.283  10.666   9.013
  354    HA   PRO  53           HA       PRO  53  -3.452  11.056  17.318
  355    HB2  PRO  53           HB2      PRO  53  -2.019   9.317  15.369
  356    HB3  PRO  53           HB1      PRO  53  -2.192   9.141  17.119
  357    HG2  PRO  53           HG2      PRO  53  -3.595   7.605  15.459
  358    HG3  PRO  53           HG1      PRO  53  -4.320   8.233  16.951
  359    HD2  PRO  53           HD2      PRO  53  -4.711   9.127  14.130
  360    HD3  PRO  53           HD1      PRO  53  -5.882   9.048  15.463
  Start of MODEL    4
    1    H1   GLU   1           HT1      GLU   1 -13.220  -8.388  16.021
    2    H2   GLU   1           HT2      GLU   1 -13.500  -9.829  15.134
    3    H3   GLU   1           HT3      GLU   1 -14.654  -9.288  16.281
    4    HA   GLU   1           HA       GLU   1 -13.876  -7.687  13.954
    5    HB2  GLU   1           HB2      GLU   1 -15.774  -9.989  14.205
    6    HB3  GLU   1           HB1      GLU   1 -16.181  -8.659  13.130
    7    HG2  GLU   1           HG2      GLU   1 -14.738  -9.331  11.579
    8    HG3  GLU   1           HG1      GLU   1 -13.457  -9.593  12.761
    9    H    GLN   2           HN       GLN   2 -14.452  -7.023  16.756
   10    HA   GLN   2           HA       GLN   2 -17.054  -5.682  16.459
   11    HB2  GLN   2           HB2      GLN   2 -15.829  -7.093  18.643
   12    HB3  GLN   2           HB1      GLN   2 -16.137  -5.430  19.121
   13    HG2  GLN   2           HG2      GLN   2 -18.474  -5.665  18.516
   14    HG3  GLN   2           HG1      GLN   2 -18.180  -7.314  17.966
   15   HE21  GLN   2          HE21      GLN   2 -17.935  -8.944  19.454
   16   HE22  GLN   2          HE22      GLN   2 -18.279  -8.744  21.135
   17    H    ALA   3           HN       ALA   3 -13.710  -5.190  17.528
   18    HA   ALA   3           HA       ALA   3 -14.018  -2.378  17.927
   19    HB1  ALA   3           HB1      ALA   3 -11.323  -2.770  17.623
   20    HB2  ALA   3           HB2      ALA   3 -11.879  -4.350  18.171
   21    HB3  ALA   3           HB3      ALA   3 -12.214  -2.914  19.137
   22    HA   PRO   4           HA       PRO   4 -11.692  -1.921  13.749
   23    HB2  PRO   4           HB2      PRO   4 -11.148  -4.131  12.289
   24    HB3  PRO   4           HB1      PRO   4 -10.065  -3.540  13.555
   25    HG2  PRO   4           HG2      PRO   4 -12.078  -5.752  13.666
   26    HG3  PRO   4           HG1      PRO   4 -10.427  -5.710  14.310
   27    HD2  PRO   4           HD2      PRO   4 -12.625  -5.311  15.855
   28    HD3  PRO   4           HD1      PRO   4 -11.057  -4.551  16.195
   29    H    GLY   5           HN       GLY   5 -12.901  -1.176  12.114
   30    HA2  GLY   5           HA2      GLY   5 -14.986  -2.905  10.978
   31    HA3  GLY   5           HA1      GLY   5 -15.446  -1.330  11.607
   32    H    THR   6           HN       THR   6 -12.916  -2.672   9.478
   33    HA   THR   6           HA       THR   6 -13.287  -0.344   7.724
   34    HB   THR   6           HB       THR   6 -11.016  -2.270   7.425
   35    HG1  THR   6           HG1      THR   6 -11.270  -0.282   9.420
   36   HG21  THR   6          HG21      THR   6 -10.827  -0.671   5.794
   37   HG22  THR   6          HG22      THR   6  -9.853   0.027   7.087
   38   HG23  THR   6          HG23      THR   6 -11.497   0.603   6.812
   39    H    ALA   7           HN       ALA   7 -12.986  -0.780   5.361
   40    HA   ALA   7           HA       ALA   7 -14.909  -2.624   4.462
   41    HB1  ALA   7           HB1      ALA   7 -14.398  -1.895   2.281
   42    HB2  ALA   7           HB2      ALA   7 -12.754  -1.441   2.732
   43    HB3  ALA   7           HB3      ALA   7 -14.123  -0.495   3.319
   44    HA   PRO   8           HA       PRO   8 -12.599  -6.379   4.140
   45    HB2  PRO   8           HB2      PRO   8 -13.969  -7.643   2.178
   46    HB3  PRO   8           HB1      PRO   8 -14.623  -7.423   3.805
   47    HG2  PRO   8           HG2      PRO   8 -15.161  -5.845   1.318
   48    HG3  PRO   8           HG1      PRO   8 -16.304  -6.420   2.547
   49    HD2  PRO   8           HD2      PRO   8 -15.381  -3.869   2.477
   50    HD3  PRO   8           HD1      PRO   8 -15.813  -4.692   3.989
   51    H    CYS   9           HN       CYS   9 -10.995  -4.613   3.097
   52    HA   CYS   9           HA       CYS   9  -9.350  -4.231   1.577
   53    HB2  CYS   9           HB2      CYS   9  -9.560  -6.959   1.798
   54    HB3  CYS   9           HB1      CYS   9  -9.710  -6.722   0.060
   55    H    SER  10           HN       SER  10 -11.166  -2.714   0.810
   56    HA   SER  10           HA       SER  10 -11.327  -2.990  -2.075
   57    HB2  SER  10           HB2      SER  10 -13.466  -3.919  -0.723
   58    HB3  SER  10           HB1      SER  10 -13.907  -2.215  -0.833
   59    HG   SER  10           HG       SER  10 -14.518  -3.730  -2.628
   60    H    ARG  11           HN       ARG  11 -10.675  -1.119  -2.884
   61    HA   ARG  11           HA       ARG  11 -10.272   1.101  -3.165
   62    HB2  ARG  11           HB2      ARG  11 -12.684   1.518  -1.392
   63    HB3  ARG  11           HB1      ARG  11 -12.000   2.670  -2.532
   64    HG2  ARG  11           HG2      ARG  11 -13.057   1.757  -4.278
   65    HG3  ARG  11           HG1      ARG  11 -12.748   0.109  -3.730
   66    HD2  ARG  11           HD2      ARG  11 -15.121   0.505  -3.721
   67    HD3  ARG  11           HD1      ARG  11 -14.554   0.373  -2.057
   68    HE   ARG  11           HE       ARG  11 -14.490   3.040  -2.539
   69   HH11  ARG  11          HH11      ARG  11 -16.956   0.593  -2.873
   70   HH12  ARG  11          HH12      ARG  11 -18.262   1.689  -2.567
   71   HH21  ARG  11          HH21      ARG  11 -16.207   4.483  -2.136
   72   HH22  ARG  11          HH22      ARG  11 -17.837   3.897  -2.150
   73    H    GLY  12           HN       GLY  12  -8.419   1.678  -2.214
   74    HA2  GLY  12           HA2      GLY  12  -7.553   3.232  -0.518
   75    HA3  GLY  12           HA1      GLY  12  -8.524   2.362   0.659
   76    H    SER  13           HN       SER  13  -7.768  -0.234  -0.648
   77    HA   SER  13           HA       SER  13  -5.194  -0.511   0.719
   78    HB2  SER  13           HB2      SER  13  -5.675  -2.831   0.931
   79    HB3  SER  13           HB1      SER  13  -7.189  -1.995   1.278
   80    HG   SER  13           HG       SER  13  -6.872  -3.881  -0.446
   81    H    SER  14           HN       SER  14  -4.281  -2.841  -0.514
   82    HA   SER  14           HA       SER  14  -4.095  -2.421  -3.343
   83    HB2  SER  14           HB2      SER  14  -2.456  -0.798  -2.794
   84    HB3  SER  14           HB1      SER  14  -1.765  -1.816  -1.530
   85    HG   SER  14           HG       SER  14  -0.476  -1.866  -3.394
   86    H    TRP  15           HN       TRP  15  -3.105  -4.152  -4.452
   87    HA   TRP  15           HA       TRP  15  -3.212  -6.645  -2.994
   88    HB2  TRP  15           HB2      TRP  15  -4.239  -6.806  -5.088
   89    HB3  TRP  15           HB1      TRP  15  -2.976  -5.881  -5.889
   90    HD1  TRP  15           HD1      TRP  15  -1.031  -7.211  -6.986
   91    HE1  TRP  15           HE1      TRP  15  -0.470  -9.712  -7.218
   92    HE3  TRP  15           HE3      TRP  15  -4.463  -9.127  -3.716
   93    HZ2  TRP  15           HZ2      TRP  15  -1.365 -12.167  -6.156
   94    HZ3  TRP  15           HZ3      TRP  15  -4.548 -11.561  -3.385
   95    HH2  TRP  15           HH2      TRP  15  -3.030 -13.049  -4.581
   96    H    SER  16           HN       SER  16  -1.486  -8.295  -3.300
   97    HA   SER  16           HA       SER  16   1.173  -7.213  -3.701
   98    HB2  SER  16           HB2      SER  16   0.126  -7.560  -1.129
   99    HB3  SER  16           HB1      SER  16   1.182  -8.949  -1.383
  100    HG   SER  16           HG       SER  16   2.874  -7.674  -1.403
  101    H    ALA  17           HN       ALA  17   2.799  -8.828  -4.059
  102    HA   ALA  17           HA       ALA  17   1.647 -11.379  -4.973
  103    HB1  ALA  17           HB1      ALA  17   4.117  -9.941  -5.936
  104    HB2  ALA  17           HB2      ALA  17   2.572 -10.052  -6.778
  105    HB3  ALA  17           HB3      ALA  17   3.546 -11.500  -6.529
  106    H    ASP  18           HN       ASP  18   3.725 -10.001  -2.667
  107    HA   ASP  18           HA       ASP  18   5.754 -11.827  -2.321
  108    HB2  ASP  18           HB2      ASP  18   4.155 -10.359  -0.214
  109    HB3  ASP  18           HB1      ASP  18   5.661 -11.216   0.107
  110    H    LEU  19           HN       LEU  19   2.368 -12.151  -1.522
  111    HA   LEU  19           HA       LEU  19   2.683 -14.998  -1.197
  112    HB2  LEU  19           HB2      LEU  19   1.299 -14.775   1.031
  113    HB3  LEU  19           HB1      LEU  19   3.051 -14.730   1.039
  114    HG   LEU  19           HG       LEU  19   2.815 -12.177   0.954
  115   HD11  LEU  19          HD11      LEU  19   0.781 -11.201   1.639
  116   HD12  LEU  19          HD12      LEU  19   0.071 -12.769   2.025
  117   HD13  LEU  19          HD13      LEU  19   0.365 -12.324   0.343
  118   HD21  LEU  19          HD21      LEU  19   2.343 -14.013   3.223
  119   HD22  LEU  19          HD22      LEU  19   2.014 -12.303   3.503
  120   HD23  LEU  19          HD23      LEU  19   3.615 -12.817   2.973
  121    H    ASP  20           HN       ASP  20   1.252 -12.998  -2.887
  122    HA   ASP  20           HA       ASP  20  -0.807 -12.599  -3.790
  123    HB2  ASP  20           HB2      ASP  20  -0.603 -15.511  -3.292
  124    HB3  ASP  20           HB1      ASP  20  -2.214 -14.904  -3.665
  125    H    LYS  21           HN       LYS  21  -1.387 -11.139  -2.070
  126    HA   LYS  21           HA       LYS  21  -3.937 -11.655  -1.011
  127    HB2  LYS  21           HB2      LYS  21  -1.665 -12.379   0.689
  128    HB3  LYS  21           HB1      LYS  21  -2.783 -11.264   1.462
  129    HG2  LYS  21           HG2      LYS  21  -4.526 -13.043   0.448
  130    HG3  LYS  21           HG1      LYS  21  -3.131 -14.089   0.721
  131    HD2  LYS  21           HD2      LYS  21  -4.242 -12.233   2.817
  132    HD3  LYS  21           HD1      LYS  21  -4.754 -13.913   2.642
  133    HE2  LYS  21           HE2      LYS  21  -2.097 -14.263   2.686
  134    HE3  LYS  21           HE1      LYS  21  -2.209 -12.791   3.651
  135    HZ1  LYS  21           HZ1      LYS  21  -3.848 -13.947   5.063
  136    HZ2  LYS  21           HZ2      LYS  21  -2.327 -14.687   5.085
  137    HZ3  LYS  21           HZ3      LYS  21  -3.584 -15.368   4.184
  138    H    CYS  22           HN       CYS  22  -4.894  -9.736  -0.915
  139    HA   CYS  22           HA       CYS  22  -3.418  -7.328  -1.208
  140    HB2  CYS  22           HB2      CYS  22  -5.564  -6.209  -1.166
  141    HB3  CYS  22           HB1      CYS  22  -5.696  -7.673  -2.134
  142    H    MET  23           HN       MET  23  -3.401  -5.506   0.222
  143    HA   MET  23           HA       MET  23  -4.143  -5.866   2.970
  144    HB2  MET  23           HB2      MET  23  -1.436  -6.408   2.085
  145    HB3  MET  23           HB1      MET  23  -1.474  -5.110   3.270
  146    HG2  MET  23           HG2      MET  23  -1.375  -6.783   4.747
  147    HG3  MET  23           HG1      MET  23  -3.109  -6.898   4.453
  148    HE1  MET  23           HE1      MET  23   0.048  -8.054   2.240
  149    HE2  MET  23           HE2      MET  23   0.143  -9.712   2.833
  150    HE3  MET  23           HE3      MET  23   0.380  -8.365   3.945
  151    H    ASP  24           HN       ASP  24  -4.765  -3.972   3.777
  152    HA   ASP  24           HA       ASP  24  -4.632  -1.602   2.256
  153    HB2  ASP  24           HB2      ASP  24  -5.552  -0.525   4.336
  154    HB3  ASP  24           HB1      ASP  24  -6.476  -1.906   3.754
  155    H    CYS  25           HN       CYS  25  -3.909   0.515   3.465
  156    HA   CYS  25           HA       CYS  25  -1.093   0.468   3.562
  157    HB2  CYS  25           HB2      CYS  25  -2.938   2.624   4.608
  158    HB3  CYS  25           HB1      CYS  25  -1.244   2.817   4.171
  159    H    ALA  26           HN       ALA  26  -3.494  -0.045   5.987
  160    HA   ALA  26           HA       ALA  26  -2.212   0.727   8.313
  161    HB1  ALA  26           HB1      ALA  26  -4.548  -0.498   7.772
  162    HB2  ALA  26           HB2      ALA  26  -3.861  -0.373   9.391
  163    HB3  ALA  26           HB3      ALA  26  -3.639  -1.848   8.449
  164    H    SER  27           HN       SER  27  -1.700  -2.134   6.339
  165    HA   SER  27           HA       SER  27  -0.091  -3.551   8.176
  166    HB2  SER  27           HB2      SER  27  -1.231  -4.413   6.030
  167    HB3  SER  27           HB1      SER  27   0.181  -3.778   5.186
  168    HG   SER  27           HG       SER  27   0.593  -5.902   5.691
  169    H    CYS  28           HN       CYS  28   0.719  -1.388   5.482
  170    HA   CYS  28           HA       CYS  28   3.528  -1.502   6.120
  171    HB2  CYS  28           HB2      CYS  28   2.521  -1.359   3.761
  172    HB3  CYS  28           HB1      CYS  28   2.247   0.343   4.116
  173    H    ARG  29           HN       ARG  29   2.409  -0.595   8.331
  174    HA   ARG  29           HA       ARG  29   2.479   2.329   8.286
  175    HB2  ARG  29           HB2      ARG  29   0.795   0.626   9.576
  176    HB3  ARG  29           HB1      ARG  29   1.972   0.943  10.841
  177    HG2  ARG  29           HG2      ARG  29   1.409   3.154  11.008
  178    HG3  ARG  29           HG1      ARG  29   0.836   3.246   9.340
  179    HD2  ARG  29           HD2      ARG  29  -1.140   3.328  10.533
  180    HD3  ARG  29           HD1      ARG  29  -1.008   1.612  10.156
  181    HE   ARG  29           HE       ARG  29   0.220   1.984  12.611
  182   HH11  ARG  29          HH11      ARG  29  -2.970   2.365  11.249
  183   HH12  ARG  29          HH12      ARG  29  -3.783   2.049  12.744
  184   HH21  ARG  29          HH21      ARG  29  -0.847   1.568  14.579
  185   HH22  ARG  29          HH22      ARG  29  -2.577   1.598  14.636
  186    H    ALA  30           HN       ALA  30   4.203  -0.453   9.511
  187    HA   ALA  30           HA       ALA  30   6.321   1.354  10.468
  188    HB1  ALA  30           HB1      ALA  30   5.018   0.396  12.358
  189    HB2  ALA  30           HB2      ALA  30   6.730  -0.027  12.379
  190    HB3  ALA  30           HB3      ALA  30   5.536  -1.208  11.840
  191    H    ARG  31           HN       ARG  31   5.448  -1.666   8.940
  192    HA   ARG  31           HA       ARG  31   8.288  -2.274   8.502
  193    HB2  ARG  31           HB2      ARG  31   7.543  -4.535   7.920
  194    HB3  ARG  31           HB1      ARG  31   6.996  -4.071   9.524
  195    HG2  ARG  31           HG2      ARG  31   4.967  -3.325   7.711
  196    HG3  ARG  31           HG1      ARG  31   5.465  -4.966   7.296
  197    HD2  ARG  31           HD2      ARG  31   5.329  -5.288   9.914
  198    HD3  ARG  31           HD1      ARG  31   4.219  -3.925   9.789
  199    HE   ARG  31           HE       ARG  31   3.516  -5.858   7.877
  200   HH11  ARG  31          HH11      ARG  31   3.505  -5.388  11.336
  201   HH12  ARG  31          HH12      ARG  31   2.151  -6.432  11.600
  202   HH21  ARG  31          HH21      ARG  31   1.734  -7.231   8.222
  203   HH22  ARG  31          HH22      ARG  31   1.144  -7.480   9.831
  204    HA   PRO  32           HA       PRO  32   7.106  -0.777   4.347
  205    HB2  PRO  32           HB2      PRO  32   9.449   0.367   3.736
  206    HB3  PRO  32           HB1      PRO  32   8.300   1.154   4.824
  207    HG2  PRO  32           HG2      PRO  32  10.766  -0.406   5.484
  208    HG3  PRO  32           HG1      PRO  32  10.180   1.111   6.189
  209    HD2  PRO  32           HD2      PRO  32   9.829  -1.357   7.342
  210    HD3  PRO  32           HD1      PRO  32   8.764   0.034   7.626
  211    H    HIS  33           HN       HIS  33   7.084  -3.175   3.972
  212    HA   HIS  33           HA       HIS  33   9.045  -3.846   1.991
  213    HB2  HIS  33           HB2      HIS  33   9.864  -4.510   4.462
  214    HB3  HIS  33           HB1      HIS  33   8.893  -5.933   4.100
  215    HD1  HIS  33           HD1      HIS  33  11.375  -7.062   4.276
  216    HD2  HIS  33           HD2      HIS  33  10.594  -4.713   0.938
  217    HE1  HIS  33           HE1      HIS  33  13.122  -7.698   2.583
  218    HE2  HIS  33           HE2      HIS  33  12.578  -6.323   0.543
  219    H    SER  34           HN       SER  34   6.668  -3.570   1.225
  220    HA   SER  34           HA       SER  34   5.677  -6.220   0.717
  221    HB2  SER  34           HB2      SER  34   4.336  -4.391   2.573
  222    HB3  SER  34           HB1      SER  34   3.284  -4.988   1.290
  223    HG   SER  34           HG       SER  34   4.190  -7.134   1.909
  224    H    ASP  35           HN       ASP  35   4.777  -6.394  -1.263
  225    HA   ASP  35           HA       ASP  35   5.134  -4.391  -3.165
  226    HB2  ASP  35           HB2      ASP  35   3.758  -7.013  -3.084
  227    HB3  ASP  35           HB1      ASP  35   3.249  -5.913  -4.362
  228    H    PHE  36           HN       PHE  36   2.247  -5.297  -1.330
  229    HA   PHE  36           HA       PHE  36   0.426  -3.632  -2.662
  230    HB2  PHE  36           HB2      PHE  36  -0.994  -3.871  -0.691
  231    HB3  PHE  36           HB1      PHE  36  -0.264  -5.416  -1.111
  232    HD1  PHE  36           HD2      PHE  36   0.252  -2.479   1.119
  233    HD2  PHE  36           HD1      PHE  36   0.771  -6.661   0.529
  234    HE1  PHE  36           HE2      PHE  36   1.099  -2.696   3.420
  235    HE2  PHE  36           HE1      PHE  36   1.615  -6.886   2.827
  236    HZ   PHE  36           HZ       PHE  36   1.781  -4.901   4.277
  237    H    CYS  37           HN       CYS  37   2.895  -2.934  -0.338
  238    HA   CYS  37           HA       CYS  37   1.889  -0.450   0.586
  239    HB2  CYS  37           HB2      CYS  37   3.684  -1.784   1.715
  240    HB3  CYS  37           HB1      CYS  37   4.781  -1.320   0.418
  241    H    LEU  38           HN       LEU  38   3.737  -1.429  -2.213
  242    HA   LEU  38           HA       LEU  38   4.720   1.073  -3.009
  243    HB2  LEU  38           HB2      LEU  38   5.187  -1.319  -3.928
  244    HB3  LEU  38           HB1      LEU  38   3.828  -0.996  -4.986
  245    HG   LEU  38           HG       LEU  38   6.234   0.810  -4.829
  246   HD11  LEU  38          HD11      LEU  38   6.736  -0.337  -7.091
  247   HD12  LEU  38          HD12      LEU  38   5.754  -1.656  -6.452
  248   HD13  LEU  38          HD13      LEU  38   7.209  -1.146  -5.597
  249   HD21  LEU  38          HD21      LEU  38   3.764   0.671  -6.462
  250   HD22  LEU  38          HD22      LEU  38   5.252   1.163  -7.272
  251   HD23  LEU  38          HD23      LEU  38   4.662   2.072  -5.881
  252    H    GLY  39           HN       GLY  39   1.581  -0.432  -3.385
  253    HA2  GLY  39           HA2      GLY  39   0.587   1.443  -5.305
  254    HA3  GLY  39           HA1      GLY  39  -0.371   0.308  -4.365
  255    H    CYS  40           HN       CYS  40   0.567   1.248  -1.794
  256    HA   CYS  40           HA       CYS  40  -1.265   3.435  -1.470
  257    HB2  CYS  40           HB2      CYS  40  -1.052   1.639   0.217
  258    HB3  CYS  40           HB1      CYS  40   0.596   2.161   0.547
  259    H    ALA  41           HN       ALA  41   2.184   3.045  -0.637
  260    HA   ALA  41           HA       ALA  41   3.875   4.557  -0.425
  261    HB1  ALA  41           HB1      ALA  41   3.477   4.607  -2.877
  262    HB2  ALA  41           HB2      ALA  41   4.155   6.104  -2.236
  263    HB3  ALA  41           HB3      ALA  41   2.440   6.014  -2.638
  264    H    ALA  42           HN       ALA  42   1.907   4.935   1.461
  265    HA   ALA  42           HA       ALA  42   1.669   7.867   1.641
  266    HB1  ALA  42           HB1      ALA  42  -0.415   6.316   1.663
  267    HB2  ALA  42           HB2      ALA  42  -0.310   7.646   2.817
  268    HB3  ALA  42           HB3      ALA  42   0.058   6.001   3.333
  269    H    ALA  43           HN       ALA  43   4.041   6.336   2.332
  270    HA   ALA  43           HA       ALA  43   4.278   7.205   5.117
  271    HB1  ALA  43           HB1      ALA  43   3.867   4.605   4.692
  272    HB2  ALA  43           HB2      ALA  43   4.914   5.204   5.978
  273    HB3  ALA  43           HB3      ALA  43   5.615   4.645   4.460
  274    HA   PRO  44           HA       PRO  44   7.695   8.964   2.541
  275    HB2  PRO  44           HB2      PRO  44   7.824  10.568   5.051
  276    HB3  PRO  44           HB1      PRO  44   7.904  11.102   3.370
  277    HG2  PRO  44           HG2      PRO  44   5.690  11.462   4.802
  278    HG3  PRO  44           HG1      PRO  44   5.604  11.006   3.090
  279    HD2  PRO  44           HD2      PRO  44   5.154   9.338   5.523
  280    HD3  PRO  44           HD1      PRO  44   4.344   9.276   3.945
  281    HA   PRO  45           HA       PRO  45  11.106   6.731   4.224
  282    HB2  PRO  45           HB2      PRO  45  12.688   9.218   3.784
  283    HB3  PRO  45           HB1      PRO  45  13.011   7.568   3.241
  284    HG2  PRO  45           HG2      PRO  45  12.107   9.404   1.539
  285    HG3  PRO  45           HG1      PRO  45  11.539   7.726   1.455
  286    HD2  PRO  45           HD2      PRO  45  10.155  10.147   2.516
  287    HD3  PRO  45           HD1      PRO  45   9.483   8.746   1.658
  288    H    ALA  46           HN       ALA  46  11.754   6.362   6.252
  289    HA   ALA  46           HA       ALA  46  11.185   8.246   8.325
  290    HB1  ALA  46           HB1      ALA  46  12.818   6.150   9.319
  291    HB2  ALA  46           HB2      ALA  46  11.703   5.458   8.141
  292    HB3  ALA  46           HB3      ALA  46  11.080   6.375   9.513
  293    HA   PRO  47           HA       PRO  47  15.953   8.476   8.884
  294    HB2  PRO  47           HB2      PRO  47  17.553   7.206   7.109
  295    HB3  PRO  47           HB1      PRO  47  16.905   6.408   8.547
  296    HG2  PRO  47           HG2      PRO  47  15.944   6.282   5.715
  297    HG3  PRO  47           HG1      PRO  47  16.116   4.972   6.898
  298    HD2  PRO  47           HD2      PRO  47  13.734   6.153   6.338
  299    HD3  PRO  47           HD1      PRO  47  14.123   5.472   7.930
  300    H    PHE  48           HN       PHE  48  17.801   9.599   7.736
  301    HA   PHE  48           HA       PHE  48  16.702  11.227   5.550
  302    HB2  PHE  48           HB2      PHE  48  17.602  12.162   7.852
  303    HB3  PHE  48           HB1      PHE  48  19.164  12.011   7.054
  304    HD1  PHE  48           HD1      PHE  48  15.755  13.390   6.440
  305    HD2  PHE  48           HD2      PHE  48  19.947  13.791   5.827
  306    HE1  PHE  48           HE1      PHE  48  15.380  15.546   5.317
  307    HE2  PHE  48           HE2      PHE  48  19.580  15.948   4.703
  308    HZ   PHE  48           HZ       PHE  48  17.295  16.829   4.446
  309    H    ARG  49           HN       ARG  49  18.572  12.206   4.152
  310    HA   ARG  49           HA       ARG  49  19.781  10.014   2.784
  311    HB2  ARG  49           HB2      ARG  49  19.817  12.995   2.439
  312    HB3  ARG  49           HB1      ARG  49  20.913  11.983   1.508
  313    HG2  ARG  49           HG2      ARG  49  17.925  11.635   1.542
  314    HG3  ARG  49           HG1      ARG  49  18.803  12.575   0.334
  315    HD2  ARG  49           HD2      ARG  49  19.210   9.643   0.912
  316    HD3  ARG  49           HD1      ARG  49  18.300  10.301  -0.447
  317    HE   ARG  49           HE       ARG  49  21.156  10.113  -0.199
  318   HH11  ARG  49          HH11      ARG  49  18.528  11.810  -1.745
  319   HH12  ARG  49          HH12      ARG  49  19.483  12.313  -3.099
  320   HH21  ARG  49          HH21      ARG  49  22.414  10.772  -1.980
  321   HH22  ARG  49          HH22      ARG  49  21.689  11.723  -3.234
  322    H    LEU  50           HN       LEU  50  22.023   9.656   2.425
  323    HA   LEU  50           HA       LEU  50  23.671  10.454   4.718
  324    HB2  LEU  50           HB2      LEU  50  23.301   8.014   4.152
  325    HB3  LEU  50           HB1      LEU  50  24.262   8.287   2.710
  326    HG   LEU  50           HG       LEU  50  26.056   9.162   4.401
  327   HD11  LEU  50          HD11      LEU  50  25.734   7.473   6.451
  328   HD12  LEU  50          HD12      LEU  50  24.044   7.865   6.129
  329   HD13  LEU  50          HD13      LEU  50  25.194   9.153   6.490
  330   HD21  LEU  50          HD21      LEU  50  26.592   7.308   3.090
  331   HD22  LEU  50          HD22      LEU  50  25.329   6.312   3.816
  332   HD23  LEU  50          HD23      LEU  50  26.772   6.723   4.744
  333    H    LEU  51           HN       LEU  51  25.424  11.702   4.492
  334    HA   LEU  51           HA       LEU  51  26.897  11.917   2.056
  335    HB2  LEU  51           HB2      LEU  51  26.446  14.279   1.608
  336    HB3  LEU  51           HB1      LEU  51  25.006  13.298   1.418
  337    HG   LEU  51           HG       LEU  51  25.416  14.593   4.059
  338   HD11  LEU  51          HD11      LEU  51  25.074  16.729   3.426
  339   HD12  LEU  51          HD12      LEU  51  24.094  16.276   2.031
  340   HD13  LEU  51          HD13      LEU  51  25.853  16.184   1.941
  341   HD21  LEU  51          HD21      LEU  51  23.099  14.554   4.161
  342   HD22  LEU  51          HD22      LEU  51  23.477  13.078   3.273
  343   HD23  LEU  51          HD23      LEU  51  22.921  14.511   2.406
  344    H    TRP  52           HN       TRP  52  28.627  13.624   2.240
  345    HA   TRP  52           HA       TRP  52  29.875  13.392   4.796
  346    HB2  TRP  52           HB2      TRP  52  30.650  14.146   2.132
  347    HB3  TRP  52           HB1      TRP  52  31.234  15.352   3.275
  348    HD1  TRP  52           HD1      TRP  52  33.382  14.766   4.579
  349    HE1  TRP  52           HE1      TRP  52  34.848  12.664   4.822
  350    HE3  TRP  52           HE3      TRP  52  30.388  11.401   2.159
  351    HZ2  TRP  52           HZ2      TRP  52  34.749   9.941   4.085
  352    HZ3  TRP  52           HZ3      TRP  52  31.147   9.068   1.971
  353    HH2  TRP  52           HH2      TRP  52  33.284   8.355   2.914
  354    HA   PRO  53           HA       PRO  53  29.162  18.304   4.728
  355    HB2  PRO  53           HB2      PRO  53  26.559  18.150   3.277
  356    HB3  PRO  53           HB1      PRO  53  27.790  19.417   3.247
  357    HG2  PRO  53           HG2      PRO  53  27.550  17.719   1.214
  358    HG3  PRO  53           HG1      PRO  53  29.147  18.250   1.770
  359    HD2  PRO  53           HD2      PRO  53  27.760  15.643   2.192
  360    HD3  PRO  53           HD1      PRO  53  29.488  15.982   1.965
  Start of MODEL    5
    1    H1   GLU   1           HT1      GLU   1 -16.422  -4.199  13.316
    2    H2   GLU   1           HT2      GLU   1 -17.192  -3.456  14.659
    3    H3   GLU   1           HT3      GLU   1 -17.413  -5.132  14.358
    4    HA   GLU   1           HA       GLU   1 -14.781  -3.952  14.882
    5    HB2  GLU   1           HB2      GLU   1 -16.945  -4.844  16.770
    6    HB3  GLU   1           HB1      GLU   1 -15.252  -4.949  17.232
    7    HG2  GLU   1           HG2      GLU   1 -14.980  -2.658  17.267
    8    HG3  GLU   1           HG1      GLU   1 -16.361  -2.375  16.207
    9    H    GLN   2           HN       GLN   2 -15.472  -5.922  12.961
   10    HA   GLN   2           HA       GLN   2 -14.096  -8.232  14.133
   11    HB2  GLN   2           HB2      GLN   2 -16.611  -8.329  12.463
   12    HB3  GLN   2           HB1      GLN   2 -15.589  -9.729  12.763
   13    HG2  GLN   2           HG2      GLN   2 -16.029  -8.766  15.286
   14    HG3  GLN   2           HG1      GLN   2 -17.560  -8.442  14.476
   15   HE21  GLN   2          HE21      GLN   2 -15.203 -11.075  14.191
   16   HE22  GLN   2          HE22      GLN   2 -16.325 -12.346  14.525
   17    H    ALA   3           HN       ALA   3 -13.641  -9.841  12.154
   18    HA   ALA   3           HA       ALA   3 -12.980  -8.437   9.708
   19    HB1  ALA   3           HB1      ALA   3 -10.632  -9.802  10.854
   20    HB2  ALA   3           HB2      ALA   3 -11.098  -8.286  11.626
   21    HB3  ALA   3           HB3      ALA   3 -10.735  -8.322   9.900
   22    HA   PRO   4           HA       PRO   4 -14.391 -12.793   9.024
   23    HB2  PRO   4           HB2      PRO   4 -14.731 -11.528   6.347
   24    HB3  PRO   4           HB1      PRO   4 -15.828 -12.589   7.239
   25    HG2  PRO   4           HG2      PRO   4 -16.302  -9.975   7.080
   26    HG3  PRO   4           HG1      PRO   4 -16.614 -10.867   8.581
   27    HD2  PRO   4           HD2      PRO   4 -14.367  -9.023   7.901
   28    HD3  PRO   4           HD1      PRO   4 -15.207  -9.256   9.447
   29    H    GLY   5           HN       GLY   5 -12.763 -10.958   6.421
   30    HA2  GLY   5           HA2      GLY   5 -10.267 -11.927   6.420
   31    HA3  GLY   5           HA1      GLY   5 -11.161 -13.293   5.769
   32    H    THR   6           HN       THR   6 -13.028 -12.033   4.185
   33    HA   THR   6           HA       THR   6 -13.330 -11.165   2.104
   34    HB   THR   6           HB       THR   6 -10.895  -9.454   2.351
   35    HG1  THR   6           HG1      THR   6 -13.191  -9.297   3.984
   36   HG21  THR   6          HG21      THR   6 -13.426  -8.155   1.835
   37   HG22  THR   6          HG22      THR   6 -13.080  -9.435   0.672
   38   HG23  THR   6          HG23      THR   6 -11.924  -8.124   0.911
   39    H    ALA   7           HN       ALA   7 -12.933 -12.324   0.348
   40    HA   ALA   7           HA       ALA   7 -10.197 -13.283  -0.122
   41    HB1  ALA   7           HB1      ALA   7 -12.564 -14.675  -0.065
   42    HB2  ALA   7           HB2      ALA   7 -11.048 -15.236  -0.769
   43    HB3  ALA   7           HB3      ALA   7 -12.262 -14.467  -1.790
   44    HA   PRO   8           HA       PRO   8 -11.439 -11.586  -4.412
   45    HB2  PRO   8           HB2      PRO   8 -14.037 -10.327  -4.297
   46    HB3  PRO   8           HB1      PRO   8 -13.537 -11.733  -5.239
   47    HG2  PRO   8           HG2      PRO   8 -15.299 -11.848  -3.147
   48    HG3  PRO   8           HG1      PRO   8 -14.293 -13.210  -3.670
   49    HD2  PRO   8           HD2      PRO   8 -13.878 -11.307  -1.394
   50    HD3  PRO   8           HD1      PRO   8 -13.616 -13.062  -1.458
   51    H    CYS   9           HN       CYS   9 -10.324 -10.171  -2.237
   52    HA   CYS   9           HA       CYS   9  -9.597  -8.103  -1.623
   53    HB2  CYS   9           HB2      CYS   9  -9.295  -8.204  -4.243
   54    HB3  CYS   9           HB1      CYS   9 -10.545  -6.965  -4.221
   55    H    SER  10           HN       SER  10 -10.256  -5.733  -1.395
   56    HA   SER  10           HA       SER  10 -13.155  -5.363  -1.337
   57    HB2  SER  10           HB2      SER  10 -12.524  -6.236   0.891
   58    HB3  SER  10           HB1      SER  10 -11.385  -4.903   1.078
   59    HG   SER  10           HG       SER  10 -14.202  -4.838   1.014
   60    H    ARG  11           HN       ARG  11 -13.302  -2.962  -0.058
   61    HA   ARG  11           HA       ARG  11 -12.334  -1.176  -2.056
   62    HB2  ARG  11           HB2      ARG  11 -13.959  -0.943   0.423
   63    HB3  ARG  11           HB1      ARG  11 -13.177   0.518  -0.164
   64    HG2  ARG  11           HG2      ARG  11 -14.287  -0.438  -2.449
   65    HG3  ARG  11           HG1      ARG  11 -15.462  -0.965  -1.242
   66    HD2  ARG  11           HD2      ARG  11 -14.531   1.791  -0.894
   67    HD3  ARG  11           HD1      ARG  11 -15.393   1.505  -2.405
   68    HE   ARG  11           HE       ARG  11 -17.334   1.178  -1.215
   69   HH11  ARG  11          HH11      ARG  11 -14.624   1.267   0.985
   70   HH12  ARG  11          HH12      ARG  11 -15.617   1.343   2.401
   71   HH21  ARG  11          HH21      ARG  11 -18.639   1.277   0.647
   72   HH22  ARG  11          HH22      ARG  11 -17.895   1.346   2.209
   73    H    GLY  12           HN       GLY  12 -10.879   0.576  -1.804
   74    HA2  GLY  12           HA2      GLY  12  -8.928   1.570  -1.117
   75    HA3  GLY  12           HA1      GLY  12  -9.361   1.074   0.512
   76    H    SER  13           HN       SER  13  -7.527   0.249   1.319
   77    HA   SER  13           HA       SER  13  -5.638  -1.009   1.540
   78    HB2  SER  13           HB2      SER  13  -6.033  -3.297   1.443
   79    HB3  SER  13           HB1      SER  13  -7.671  -2.651   1.520
   80    HG   SER  13           HG       SER  13  -7.578  -4.157  -0.128
   81    H    SER  14           HN       SER  14  -4.499  -3.006  -0.042
   82    HA   SER  14           HA       SER  14  -4.137  -1.974  -2.703
   83    HB2  SER  14           HB2      SER  14  -2.008  -1.739  -0.593
   84    HB3  SER  14           HB1      SER  14  -1.580  -1.882  -2.297
   85    HG   SER  14           HG       SER  14  -2.833  -0.015  -2.692
   86    H    TRP  15           HN       TRP  15  -3.648  -3.554  -4.099
   87    HA   TRP  15           HA       TRP  15  -3.703  -6.241  -3.340
   88    HB2  TRP  15           HB2      TRP  15  -4.337  -5.791  -5.556
   89    HB3  TRP  15           HB1      TRP  15  -2.902  -4.823  -5.869
   90    HD1  TRP  15           HD1      TRP  15  -0.955  -6.005  -7.066
   91    HE1  TRP  15           HE1      TRP  15  -0.427  -8.433  -7.734
   92    HE3  TRP  15           HE3      TRP  15  -4.770  -8.376  -4.621
   93    HZ2  TRP  15           HZ2      TRP  15  -1.487 -11.008  -7.282
   94    HZ3  TRP  15           HZ3      TRP  15  -4.944 -10.821  -4.794
   95    HH2  TRP  15           HH2      TRP  15  -3.335 -12.110  -6.100
   96    H    SER  16           HN       SER  16  -2.003  -7.872  -3.663
   97    HA   SER  16           HA       SER  16   0.710  -6.892  -3.337
   98    HB2  SER  16           HB2      SER  16   0.024  -9.164  -1.583
   99    HB3  SER  16           HB1      SER  16   1.065  -7.774  -1.273
  100    HG   SER  16           HG       SER  16  -1.050  -7.968  -0.101
  101    H    ALA  17           HN       ALA  17   2.171  -8.048  -4.449
  102    HA   ALA  17           HA       ALA  17   1.218 -10.431  -5.849
  103    HB1  ALA  17           HB1      ALA  17   2.114  -8.882  -7.360
  104    HB2  ALA  17           HB2      ALA  17   3.381 -10.092  -7.162
  105    HB3  ALA  17           HB3      ALA  17   3.503  -8.544  -6.326
  106    H    ASP  18           HN       ASP  18   3.310  -9.509  -3.287
  107    HA   ASP  18           HA       ASP  18   5.294 -11.420  -3.314
  108    HB2  ASP  18           HB2      ASP  18   4.638  -9.484  -1.592
  109    HB3  ASP  18           HB1      ASP  18   3.999 -10.858  -0.694
  110    H    LEU  19           HN       LEU  19   1.911 -11.779  -2.525
  111    HA   LEU  19           HA       LEU  19   2.204 -14.662  -2.588
  112    HB2  LEU  19           HB2      LEU  19   0.738 -14.766  -0.448
  113    HB3  LEU  19           HB1      LEU  19   2.475 -14.576  -0.303
  114    HG   LEU  19           HG       LEU  19   1.234 -11.984  -0.427
  115   HD11  LEU  19          HD11      LEU  19  -0.048 -12.054   1.636
  116   HD12  LEU  19          HD12      LEU  19   0.204 -13.795   1.751
  117   HD13  LEU  19          HD13      LEU  19  -0.753 -13.129   0.428
  118   HD21  LEU  19          HD21      LEU  19   3.431 -12.379   0.489
  119   HD22  LEU  19          HD22      LEU  19   2.762 -13.454   1.717
  120   HD23  LEU  19          HD23      LEU  19   2.378 -11.734   1.748
  121    H    ASP  20           HN       ASP  20   0.854 -12.405  -4.059
  122    HA   ASP  20           HA       ASP  20  -1.166 -11.870  -4.991
  123    HB2  ASP  20           HB2      ASP  20  -0.670 -14.708  -5.228
  124    HB3  ASP  20           HB1      ASP  20  -2.402 -14.385  -5.205
  125    H    LYS  21           HN       LYS  21  -1.945 -10.775  -3.099
  126    HA   LYS  21           HA       LYS  21  -4.531 -11.548  -2.347
  127    HB2  LYS  21           HB2      LYS  21  -2.373 -12.580  -0.665
  128    HB3  LYS  21           HB1      LYS  21  -3.557 -11.644   0.237
  129    HG2  LYS  21           HG2      LYS  21  -5.096 -13.247   0.092
  130    HG3  LYS  21           HG1      LYS  21  -4.774 -13.526  -1.621
  131    HD2  LYS  21           HD2      LYS  21  -2.915 -14.948  -1.105
  132    HD3  LYS  21           HD1      LYS  21  -3.014 -14.539   0.608
  133    HE2  LYS  21           HE2      LYS  21  -4.648 -16.025   0.985
  134    HE3  LYS  21           HE1      LYS  21  -5.506 -15.595  -0.494
  135    HZ1  LYS  21           HZ1      LYS  21  -4.300 -17.930  -0.129
  136    HZ2  LYS  21           HZ2      LYS  21  -3.029 -17.072  -0.843
  137    HZ3  LYS  21           HZ3      LYS  21  -4.507 -17.225  -1.653
  138    H    CYS  22           HN       CYS  22  -5.558  -9.712  -1.934
  139    HA   CYS  22           HA       CYS  22  -4.267  -7.238  -1.762
  140    HB2  CYS  22           HB2      CYS  22  -7.086  -8.059  -1.061
  141    HB3  CYS  22           HB1      CYS  22  -6.540  -6.386  -1.038
  142    H    MET  23           HN       MET  23  -4.234  -5.702  -0.019
  143    HA   MET  23           HA       MET  23  -4.698  -6.557   2.666
  144    HB2  MET  23           HB2      MET  23  -2.013  -6.761   1.492
  145    HB3  MET  23           HB1      MET  23  -2.068  -5.866   3.006
  146    HG2  MET  23           HG2      MET  23  -2.528  -7.695   4.229
  147    HG3  MET  23           HG1      MET  23  -3.540  -8.412   2.977
  148    HE1  MET  23           HE1      MET  23  -0.003 -10.244   4.331
  149    HE2  MET  23           HE2      MET  23  -1.213  -9.208   5.090
  150    HE3  MET  23           HE3      MET  23   0.280  -8.507   4.466
  151    H    ASP  24           HN       ASP  24  -4.905  -4.854   4.046
  152    HA   ASP  24           HA       ASP  24  -5.295  -2.293   2.987
  153    HB2  ASP  24           HB2      ASP  24  -4.878  -3.161   5.855
  154    HB3  ASP  24           HB1      ASP  24  -5.434  -1.562   5.370
  155    H    CYS  25           HN       CYS  25  -4.190  -0.289   3.704
  156    HA   CYS  25           HA       CYS  25  -1.356  -0.532   3.233
  157    HB2  CYS  25           HB2      CYS  25  -2.814   1.268   2.238
  158    HB3  CYS  25           HB1      CYS  25  -2.924   1.977   3.844
  159    H    ALA  26           HN       ALA  26  -3.469   0.084   5.934
  160    HA   ALA  26           HA       ALA  26  -1.488   1.128   7.693
  161    HB1  ALA  26           HB1      ALA  26  -3.864   1.543   8.048
  162    HB2  ALA  26           HB2      ALA  26  -3.144   0.757   9.453
  163    HB3  ALA  26           HB3      ALA  26  -4.132  -0.177   8.331
  164    H    SER  27           HN       SER  27   0.295  -0.183   7.796
  165    HA   SER  27           HA       SER  27   0.238  -2.339   9.606
  166    HB2  SER  27           HB2      SER  27  -0.720  -3.624   7.792
  167    HB3  SER  27           HB1      SER  27   0.542  -3.080   6.688
  168    HG   SER  27           HG       SER  27   1.092  -4.534   9.054
  169    H    CYS  28           HN       CYS  28   1.972  -0.977   6.830
  170    HA   CYS  28           HA       CYS  28   4.510  -1.503   8.129
  171    HB2  CYS  28           HB2      CYS  28   5.488  -0.671   5.982
  172    HB3  CYS  28           HB1      CYS  28   4.447  -2.078   5.800
  173    H    ARG  29           HN       ARG  29   2.950   0.358   9.470
  174    HA   ARG  29           HA       ARG  29   3.582   3.033   8.730
  175    HB2  ARG  29           HB2      ARG  29   1.671   2.178  10.241
  176    HB3  ARG  29           HB1      ARG  29   2.876   2.168  11.522
  177    HG2  ARG  29           HG2      ARG  29   3.163   4.499  11.415
  178    HG3  ARG  29           HG1      ARG  29   2.317   4.611   9.870
  179    HD2  ARG  29           HD2      ARG  29   0.247   4.423  10.833
  180    HD3  ARG  29           HD1      ARG  29   0.851   3.500  12.208
  181    HE   ARG  29           HE       ARG  29   1.778   6.218  12.154
  182   HH11  ARG  29          HH11      ARG  29  -0.815   4.105  13.149
  183   HH12  ARG  29          HH12      ARG  29  -1.367   5.166  14.400
  184   HH21  ARG  29          HH21      ARG  29   1.053   7.615  13.800
  185   HH22  ARG  29          HH22      ARG  29  -0.308   7.160  14.770
  186    H    ALA  30           HN       ALA  30   5.265   0.564  10.453
  187    HA   ALA  30           HA       ALA  30   7.154   2.490  11.591
  188    HB1  ALA  30           HB1      ALA  30   6.103   0.371  12.780
  189    HB2  ALA  30           HB2      ALA  30   7.745   0.911  13.125
  190    HB3  ALA  30           HB3      ALA  30   7.475  -0.432  12.015
  191    H    ARG  31           HN       ARG  31   7.196  -0.486   9.623
  192    HA   ARG  31           HA       ARG  31   9.535   0.573   8.214
  193    HB2  ARG  31           HB2      ARG  31   9.332  -2.167   9.464
  194    HB3  ARG  31           HB1      ARG  31  10.541  -1.737   8.262
  195    HG2  ARG  31           HG2      ARG  31  11.765  -1.337  10.116
  196    HG3  ARG  31           HG1      ARG  31  10.976   0.237   9.996
  197    HD2  ARG  31           HD2      ARG  31   9.544  -0.198  11.744
  198    HD3  ARG  31           HD1      ARG  31   9.634  -1.944  11.523
  199    HE   ARG  31           HE       ARG  31  11.362  -0.308  13.130
  200   HH11  ARG  31          HH11      ARG  31  11.104  -3.305  11.361
  201   HH12  ARG  31          HH12      ARG  31  12.333  -4.102  12.286
  202   HH21  ARG  31          HH21      ARG  31  12.981  -1.353  14.345
  203   HH22  ARG  31          HH22      ARG  31  13.401  -2.993  13.977
  204    HA   PRO  32           HA       PRO  32   7.059  -0.884   4.798
  205    HB2  PRO  32           HB2      PRO  32   8.686  -0.156   2.795
  206    HB3  PRO  32           HB1      PRO  32   7.816   1.042   3.761
  207    HG2  PRO  32           HG2      PRO  32  10.670   0.163   3.956
  208    HG3  PRO  32           HG1      PRO  32   9.994   1.799   4.053
  209    HD2  PRO  32           HD2      PRO  32  10.700   0.298   6.240
  210    HD3  PRO  32           HD1      PRO  32   9.472   1.578   6.270
  211    H    HIS  33           HN       HIS  33   6.908  -3.038   4.592
  212    HA   HIS  33           HA       HIS  33   8.957  -4.443   3.118
  213    HB2  HIS  33           HB2      HIS  33   9.024  -6.308   4.843
  214    HB3  HIS  33           HB1      HIS  33   9.885  -4.831   5.266
  215    HD1  HIS  33           HD1      HIS  33   6.247  -4.569   5.657
  216    HD2  HIS  33           HD2      HIS  33   9.485  -5.738   7.985
  217    HE1  HIS  33           HE1      HIS  33   5.403  -4.581   8.025
  218    HE2  HIS  33           HE2      HIS  33   7.351  -5.388   9.403
  219    H    SER  34           HN       SER  34   6.710  -4.003   1.979
  220    HA   SER  34           HA       SER  34   5.487  -6.558   1.709
  221    HB2  SER  34           HB2      SER  34   4.121  -4.446   3.278
  222    HB3  SER  34           HB1      SER  34   3.133  -5.307   2.097
  223    HG   SER  34           HG       SER  34   4.077  -7.269   3.125
  224    H    ASP  35           HN       ASP  35   4.453  -6.792  -0.232
  225    HA   ASP  35           HA       ASP  35   5.080  -5.004  -2.291
  226    HB2  ASP  35           HB2      ASP  35   3.443  -7.459  -2.028
  227    HB3  ASP  35           HB1      ASP  35   3.073  -6.424  -3.405
  228    H    PHE  36           HN       PHE  36   2.049  -5.517  -0.520
  229    HA   PHE  36           HA       PHE  36   0.475  -3.734  -2.016
  230    HB2  PHE  36           HB2      PHE  36  -0.980  -3.679   0.046
  231    HB3  PHE  36           HB1      PHE  36  -0.633  -5.285  -0.584
  232    HD1  PHE  36           HD1      PHE  36   0.250  -2.862   2.060
  233    HD2  PHE  36           HD2      PHE  36   0.468  -6.898   0.730
  234    HE1  PHE  36           HE1      PHE  36   1.077  -3.543   4.275
  235    HE2  PHE  36           HE2      PHE  36   1.295  -7.587   2.942
  236    HZ   PHE  36           HZ       PHE  36   1.600  -5.909   4.718
  237    H    CYS  37           HN       CYS  37   2.796  -3.210   0.519
  238    HA   CYS  37           HA       CYS  37   1.955  -0.536   1.122
  239    HB2  CYS  37           HB2      CYS  37   4.317  -2.233   1.848
  240    HB3  CYS  37           HB1      CYS  37   4.361  -0.501   2.159
  241    H    LEU  38           HN       LEU  38   4.229  -2.036  -1.071
  242    HA   LEU  38           HA       LEU  38   5.687   0.277  -1.772
  243    HB2  LEU  38           HB2      LEU  38   6.270  -2.151  -2.251
  244    HB3  LEU  38           HB1      LEU  38   5.135  -2.064  -3.584
  245    HG   LEU  38           HG       LEU  38   7.099   0.101  -3.621
  246   HD11  LEU  38          HD11      LEU  38   8.823  -1.193  -2.941
  247   HD12  LEU  38          HD12      LEU  38   8.755  -1.750  -4.612
  248   HD13  LEU  38          HD13      LEU  38   7.994  -2.699  -3.335
  249   HD21  LEU  38          HD21      LEU  38   6.910  -1.863  -5.806
  250   HD22  LEU  38          HD22      LEU  38   6.840  -0.101  -5.850
  251   HD23  LEU  38          HD23      LEU  38   5.412  -1.030  -5.395
  252    H    GLY  39           HN       GLY  39   2.619  -1.020  -2.819
  253    HA2  GLY  39           HA2      GLY  39   2.411   0.807  -5.063
  254    HA3  GLY  39           HA1      GLY  39   1.191  -0.342  -4.534
  255    H    CYS  40           HN       CYS  40   1.133   0.529  -1.792
  256    HA   CYS  40           HA       CYS  40  -0.822   2.538  -1.969
  257    HB2  CYS  40           HB2      CYS  40  -0.757   0.966  -0.106
  258    HB3  CYS  40           HB1      CYS  40   0.791   1.618   0.420
  259    H    ALA  41           HN       ALA  41   2.630   2.684  -1.646
  260    HA   ALA  41           HA       ALA  41   2.954   5.228  -0.547
  261    HB1  ALA  41           HB1      ALA  41   5.142   4.905  -0.935
  262    HB2  ALA  41           HB2      ALA  41   4.888   4.506  -2.633
  263    HB3  ALA  41           HB3      ALA  41   4.640   3.278  -1.393
  264    H    ALA  42           HN       ALA  42   3.167   4.369  -4.008
  265    HA   ALA  42           HA       ALA  42   1.880   6.919  -4.666
  266    HB1  ALA  42           HB1      ALA  42   4.645   6.126  -5.337
  267    HB2  ALA  42           HB2      ALA  42   3.944   7.728  -5.110
  268    HB3  ALA  42           HB3      ALA  42   3.704   6.870  -6.631
  269    H    ALA  43           HN       ALA  43   1.834   6.911  -7.308
  270    HA   ALA  43           HA       ALA  43   0.628   4.321  -8.035
  271    HB1  ALA  43           HB1      ALA  43  -0.180   6.996  -9.149
  272    HB2  ALA  43           HB2      ALA  43  -0.956   6.252  -7.751
  273    HB3  ALA  43           HB3      ALA  43  -1.014   5.451  -9.321
  274    HA   PRO  44           HA       PRO  44   4.386   4.458 -10.694
  275    HB2  PRO  44           HB2      PRO  44   3.244   2.093 -11.899
  276    HB3  PRO  44           HB1      PRO  44   4.694   2.237 -10.909
  277    HG2  PRO  44           HG2      PRO  44   1.999   1.381 -10.143
  278    HG3  PRO  44           HG1      PRO  44   3.535   1.144  -9.297
  279    HD2  PRO  44           HD2      PRO  44   1.594   2.820  -8.408
  280    HD3  PRO  44           HD1      PRO  44   3.320   3.098  -8.105
  281    HA   PRO  45           HA       PRO  45   1.356   4.028 -14.658
  282    HB2  PRO  45           HB2      PRO  45  -0.998   5.004 -13.091
  283    HB3  PRO  45           HB1      PRO  45  -0.952   3.947 -14.507
  284    HG2  PRO  45           HG2      PRO  45  -1.322   2.951 -12.057
  285    HG3  PRO  45           HG1      PRO  45  -0.359   2.087 -13.270
  286    HD2  PRO  45           HD2      PRO  45   0.524   3.542 -10.844
  287    HD3  PRO  45           HD1      PRO  45   1.292   2.193 -11.700
  288    H    ALA  46           HN       ALA  46   2.099   5.753 -15.720
  289    HA   ALA  46           HA       ALA  46   2.316   8.339 -14.537
  290    HB1  ALA  46           HB1      ALA  46   2.579   8.481 -17.375
  291    HB2  ALA  46           HB2      ALA  46   3.377   7.018 -16.797
  292    HB3  ALA  46           HB3      ALA  46   3.832   8.589 -16.138
  293    HA   PRO  47           HA       PRO  47  -1.152   9.633 -17.617
  294    HB2  PRO  47           HB2      PRO  47  -2.424   7.697 -19.029
  295    HB3  PRO  47           HB1      PRO  47  -0.961   8.501 -19.608
  296    HG2  PRO  47           HG2      PRO  47  -1.258   5.837 -18.276
  297    HG3  PRO  47           HG1      PRO  47  -0.256   6.286 -19.669
  298    HD2  PRO  47           HD2      PRO  47   0.748   6.028 -17.165
  299    HD3  PRO  47           HD1      PRO  47   1.404   7.180 -18.345
  300    H    PHE  48           HN       PHE  48  -3.168  10.066 -16.889
  301    HA   PHE  48           HA       PHE  48  -4.269   8.280 -14.856
  302    HB2  PHE  48           HB2      PHE  48  -3.920  10.764 -14.455
  303    HB3  PHE  48           HB1      PHE  48  -5.242  11.045 -15.584
  304    HD1  PHE  48           HD2      PHE  48  -4.425   9.230 -12.441
  305    HD2  PHE  48           HD1      PHE  48  -7.424  11.097 -14.816
  306    HE1  PHE  48           HE2      PHE  48  -6.042   8.957 -10.607
  307    HE2  PHE  48           HE1      PHE  48  -9.045  10.829 -12.985
  308    HZ   PHE  48           HZ       PHE  48  -8.356   9.758 -10.877
  309    H    ARG  49           HN       ARG  49  -5.011   9.622 -18.001
  310    HA   ARG  49           HA       ARG  49  -7.638   8.321 -17.980
  311    HB2  ARG  49           HB2      ARG  49  -7.022  10.790 -18.815
  312    HB3  ARG  49           HB1      ARG  49  -6.741   9.921 -20.318
  313    HG2  ARG  49           HG2      ARG  49  -9.215   9.044 -19.219
  314    HG3  ARG  49           HG1      ARG  49  -9.192  10.808 -19.226
  315    HD2  ARG  49           HD2      ARG  49  -9.861  10.593 -21.357
  316    HD3  ARG  49           HD1      ARG  49  -8.162  10.251 -21.678
  317    HE   ARG  49           HE       ARG  49  -9.306   7.833 -21.021
  318   HH11  ARG  49          HH11      ARG  49  -9.781  10.271 -23.473
  319   HH12  ARG  49          HH12      ARG  49 -10.350   9.145 -24.659
  320   HH21  ARG  49          HH21      ARG  49 -10.056   6.352 -22.579
  321   HH22  ARG  49          HH22      ARG  49 -10.506   6.920 -24.153
  322    H    LEU  50           HN       LEU  50  -4.462   7.835 -19.089
  323    HA   LEU  50           HA       LEU  50  -3.504   6.199 -20.343
  324    HB2  LEU  50           HB2      LEU  50  -6.058   5.097 -19.536
  325    HB3  LEU  50           HB1      LEU  50  -5.584   4.492 -21.113
  326    HG   LEU  50           HG       LEU  50  -3.517   4.426 -18.985
  327   HD11  LEU  50          HD11      LEU  50  -4.658   2.050 -18.519
  328   HD12  LEU  50          HD12      LEU  50  -6.105   3.012 -18.821
  329   HD13  LEU  50          HD13      LEU  50  -4.982   3.484 -17.545
  330   HD21  LEU  50          HD21      LEU  50  -2.935   3.619 -21.155
  331   HD22  LEU  50          HD22      LEU  50  -4.378   2.607 -21.227
  332   HD23  LEU  50          HD23      LEU  50  -3.089   2.225 -20.087
  333    H    LEU  51           HN       LEU  51  -3.162   7.774 -21.989
  334    HA   LEU  51           HA       LEU  51  -5.031   7.670 -24.249
  335    HB2  LEU  51           HB2      LEU  51  -2.712   9.552 -23.825
  336    HB3  LEU  51           HB1      LEU  51  -3.951   9.674 -25.059
  337    HG   LEU  51           HG       LEU  51  -4.763   9.738 -22.184
  338   HD11  LEU  51          HD11      LEU  51  -4.053  11.839 -21.778
  339   HD12  LEU  51          HD12      LEU  51  -4.197  12.332 -23.465
  340   HD13  LEU  51          HD13      LEU  51  -2.796  11.403 -22.933
  341   HD21  LEU  51          HD21      LEU  51  -5.861  10.513 -24.819
  342   HD22  LEU  51          HD22      LEU  51  -6.275  11.540 -23.446
  343   HD23  LEU  51          HD23      LEU  51  -6.666   9.821 -23.410
  344    H    TRP  52           HN       TRP  52  -4.103   7.582 -26.435
  345    HA   TRP  52           HA       TRP  52  -1.785   5.772 -26.496
  346    HB2  TRP  52           HB2      TRP  52  -4.185   5.190 -27.447
  347    HB3  TRP  52           HB1      TRP  52  -3.605   6.096 -28.841
  348    HD1  TRP  52           HD1      TRP  52  -2.873   4.402 -30.609
  349    HE1  TRP  52           HE1      TRP  52  -1.483   2.235 -30.628
  350    HE3  TRP  52           HE3      TRP  52  -2.029   3.935 -25.588
  351    HZ2  TRP  52           HZ2      TRP  52  -0.199   0.551 -28.761
  352    HZ3  TRP  52           HZ3      TRP  52  -0.711   2.018 -24.787
  353    HH2  TRP  52           HH2      TRP  52   0.184   0.362 -26.341
  354    HA   PRO  53           HA       PRO  53  -0.041   9.594 -28.330
  355    HB2  PRO  53           HB2      PRO  53   2.534   8.997 -27.706
  356    HB3  PRO  53           HB1      PRO  53   1.418   9.754 -26.564
  357    HG2  PRO  53           HG2      PRO  53   2.225   6.880 -26.802
  358    HG3  PRO  53           HG1      PRO  53   2.038   7.872 -25.344
  359    HD2  PRO  53           HD2      PRO  53   0.144   6.121 -26.160
  360    HD3  PRO  53           HD1      PRO  53  -0.257   7.636 -25.324
  Start of MODEL    6
    1    H1   GLU   1           HT1      GLU   1 -21.742 -13.466 -11.537
    2    H2   GLU   1           HT2      GLU   1 -20.609 -12.195 -11.321
    3    H3   GLU   1           HT3      GLU   1 -22.264 -11.946 -10.941
    4    HA   GLU   1           HA       GLU   1 -22.026 -13.767  -9.291
    5    HB2  GLU   1           HB2      GLU   1 -19.096 -13.117  -9.629
    6    HB3  GLU   1           HB1      GLU   1 -19.810 -14.348  -8.597
    7    HG2  GLU   1           HG2      GLU   1 -19.695 -14.340 -11.601
    8    HG3  GLU   1           HG1      GLU   1 -18.823 -15.405 -10.499
    9    H    GLN   2           HN       GLN   2 -23.160 -12.136  -8.238
   10    HA   GLN   2           HA       GLN   2 -21.538  -9.963  -7.091
   11    HB2  GLN   2           HB2      GLN   2 -23.785  -9.678  -8.544
   12    HB3  GLN   2           HB1      GLN   2 -24.496  -9.834  -6.944
   13    HG2  GLN   2           HG2      GLN   2 -24.193  -7.630  -6.816
   14    HG3  GLN   2           HG1      GLN   2 -22.511  -8.037  -6.479
   15   HE21  GLN   2          HE21      GLN   2 -22.182  -5.850  -7.346
   16   HE22  GLN   2          HE22      GLN   2 -22.009  -5.659  -9.054
   17    H    ALA   3           HN       ALA   3 -23.699 -12.610  -6.379
   18    HA   ALA   3           HA       ALA   3 -24.277 -12.059  -3.701
   19    HB1  ALA   3           HB1      ALA   3 -25.556 -13.812  -4.246
   20    HB2  ALA   3           HB2      ALA   3 -24.168 -14.793  -3.773
   21    HB3  ALA   3           HB3      ALA   3 -24.419 -14.380  -5.469
   22    HA   PRO   4           HA       PRO   4 -20.337 -14.906  -2.714
   23    HB2  PRO   4           HB2      PRO   4 -18.762 -14.004  -5.080
   24    HB3  PRO   4           HB1      PRO   4 -18.762 -15.568  -4.259
   25    HG2  PRO   4           HG2      PRO   4 -19.996 -15.268  -6.597
   26    HG3  PRO   4           HG1      PRO   4 -20.700 -16.276  -5.319
   27    HD2  PRO   4           HD2      PRO   4 -21.476 -13.541  -6.225
   28    HD3  PRO   4           HD1      PRO   4 -22.496 -14.869  -5.637
   29    H    GLY   5           HN       GLY   5 -19.688 -13.681  -1.051
   30    HA2  GLY   5           HA2      GLY   5 -18.505 -11.040  -1.641
   31    HA3  GLY   5           HA1      GLY   5 -19.300 -11.461  -0.131
   32    H    THR   6           HN       THR   6 -16.384 -10.856  -1.431
   33    HA   THR   6           HA       THR   6 -15.030 -12.328   0.696
   34    HB   THR   6           HB       THR   6 -13.202 -12.973  -0.889
   35    HG1  THR   6           HG1      THR   6 -13.288 -12.224  -2.830
   36   HG21  THR   6          HG21      THR   6 -15.732 -14.160  -1.932
   37   HG22  THR   6          HG22      THR   6 -15.207 -14.474  -0.278
   38   HG23  THR   6          HG23      THR   6 -14.172 -14.925  -1.632
   39    H    ALA   7           HN       ALA   7 -12.717 -11.172  -1.406
   40    HA   ALA   7           HA       ALA   7 -12.458  -8.714   0.164
   41    HB1  ALA   7           HB1      ALA   7 -10.530  -9.990   0.476
   42    HB2  ALA   7           HB2      ALA   7 -10.063  -8.807  -0.746
   43    HB3  ALA   7           HB3      ALA   7 -10.455 -10.460  -1.223
   44    HA   PRO   8           HA       PRO   8 -13.646  -6.979  -3.900
   45    HB2  PRO   8           HB2      PRO   8 -14.699  -4.693  -2.913
   46    HB3  PRO   8           HB1      PRO   8 -15.599  -6.214  -2.947
   47    HG2  PRO   8           HG2      PRO   8 -14.128  -4.934  -0.675
   48    HG3  PRO   8           HG1      PRO   8 -15.718  -5.719  -0.678
   49    HD2  PRO   8           HD2      PRO   8 -13.463  -6.957   0.193
   50    HD3  PRO   8           HD1      PRO   8 -14.815  -7.832  -0.555
   51    H    CYS   9           HN       CYS   9 -11.099  -6.966  -3.709
   52    HA   CYS   9           HA       CYS   9  -9.641  -4.802  -2.836
   53    HB2  CYS   9           HB2      CYS   9  -9.222  -6.497  -5.303
   54    HB3  CYS   9           HB1      CYS   9  -8.026  -5.371  -4.669
   55    H    SER  10           HN       SER  10  -8.418  -3.306  -4.510
   56    HA   SER  10           HA       SER  10  -8.517  -1.448  -5.815
   57    HB2  SER  10           HB2      SER  10  -9.552  -3.404  -7.363
   58    HB3  SER  10           HB1      SER  10 -10.938  -2.317  -7.290
   59    HG   SER  10           HG       SER  10  -9.356  -0.632  -7.898
   60    H    ARG  11           HN       ARG  11 -10.032  -1.595  -3.333
   61    HA   ARG  11           HA       ARG  11 -11.890   0.608  -3.872
   62    HB2  ARG  11           HB2      ARG  11 -12.839  -1.884  -3.348
   63    HB3  ARG  11           HB1      ARG  11 -12.718  -1.234  -1.718
   64    HG2  ARG  11           HG2      ARG  11 -14.408   0.227  -2.029
   65    HG3  ARG  11           HG1      ARG  11 -13.990   0.519  -3.718
   66    HD2  ARG  11           HD2      ARG  11 -15.420  -1.038  -4.450
   67    HD3  ARG  11           HD1      ARG  11 -14.913  -2.200  -3.225
   68    HE   ARG  11           HE       ARG  11 -17.214  -0.524  -3.144
   69   HH11  ARG  11          HH11      ARG  11 -14.794  -2.035  -1.134
   70   HH12  ARG  11          HH12      ARG  11 -15.811  -2.087   0.267
   71   HH21  ARG  11          HH21      ARG  11 -18.552  -0.590  -1.303
   72   HH22  ARG  11          HH22      ARG  11 -17.944  -1.268   0.171
   73    H    GLY  12           HN       GLY  12  -9.143   0.439  -2.807
   74    HA2  GLY  12           HA2      GLY  12  -8.618   2.316  -1.201
   75    HA3  GLY  12           HA1      GLY  12  -9.632   1.433  -0.069
   76    H    SER  13           HN       SER  13  -8.688  -1.186  -0.828
   77    HA   SER  13           HA       SER  13  -6.180  -1.143   0.653
   78    HB2  SER  13           HB2      SER  13  -6.516  -3.653   0.682
   79    HB3  SER  13           HB1      SER  13  -7.773  -2.715   1.487
   80    HG   SER  13           HG       SER  13  -7.871  -4.133  -0.926
   81    H    SER  14           HN       SER  14  -4.249  -1.949  -0.094
   82    HA   SER  14           HA       SER  14  -3.881  -1.894  -2.931
   83    HB2  SER  14           HB2      SER  14  -1.449  -2.508  -2.142
   84    HB3  SER  14           HB1      SER  14  -2.095  -0.894  -1.851
   85    HG   SER  14           HG       SER  14  -2.344  -2.971   0.048
   86    H    TRP  15           HN       TRP  15  -2.074  -3.654  -3.640
   87    HA   TRP  15           HA       TRP  15  -3.209  -6.295  -2.991
   88    HB2  TRP  15           HB2      TRP  15  -3.957  -5.917  -5.177
   89    HB3  TRP  15           HB1      TRP  15  -2.484  -5.075  -5.641
   90    HD1  TRP  15           HD1      TRP  15  -0.736  -6.452  -6.931
   91    HE1  TRP  15           HE1      TRP  15  -0.439  -8.939  -7.518
   92    HE3  TRP  15           HE3      TRP  15  -4.499  -8.419  -4.080
   93    HZ2  TRP  15           HZ2      TRP  15  -1.639 -11.404  -6.860
   94    HZ3  TRP  15           HZ3      TRP  15  -4.859 -10.851  -4.119
   95    HH2  TRP  15           HH2      TRP  15  -3.457 -12.312  -5.482
   96    H    SER  16           HN       SER  16  -1.697  -8.112  -3.340
   97    HA   SER  16           HA       SER  16   1.110  -7.357  -3.191
   98    HB2  SER  16           HB2      SER  16   0.087  -9.501  -1.367
   99    HB3  SER  16           HB1      SER  16   1.536  -8.508  -1.214
  100    HG   SER  16           HG       SER  16  -0.647  -8.100   0.036
  101    H    ALA  17           HN       ALA  17   2.120  -8.368  -4.784
  102    HA   ALA  17           HA       ALA  17   1.036 -10.818  -5.896
  103    HB1  ALA  17           HB1      ALA  17   3.253 -10.414  -7.348
  104    HB2  ALA  17           HB2      ALA  17   2.989  -8.774  -6.757
  105    HB3  ALA  17           HB3      ALA  17   1.724  -9.596  -7.671
  106    H    ASP  18           HN       ASP  18   3.555  -9.840  -3.744
  107    HA   ASP  18           HA       ASP  18   5.408 -11.888  -4.036
  108    HB2  ASP  18           HB2      ASP  18   4.595 -10.100  -1.795
  109    HB3  ASP  18           HB1      ASP  18   5.606 -11.488  -1.408
  110    H    LEU  19           HN       LEU  19   2.263 -11.900  -2.520
  111    HA   LEU  19           HA       LEU  19   2.430 -14.794  -2.261
  112    HB2  LEU  19           HB2      LEU  19   1.258 -14.480   0.053
  113    HB3  LEU  19           HB1      LEU  19   3.006 -14.434  -0.071
  114    HG   LEU  19           HG       LEU  19   2.746 -11.881  -0.231
  115   HD11  LEU  19          HD11      LEU  19  -0.021 -12.744   0.384
  116   HD12  LEU  19          HD12      LEU  19   0.559 -11.354  -0.534
  117   HD13  LEU  19          HD13      LEU  19   0.597 -11.324   1.229
  118   HD21  LEU  19          HD21      LEU  19   2.482 -13.639   2.136
  119   HD22  LEU  19          HD22      LEU  19   2.182 -11.918   2.378
  120   HD23  LEU  19          HD23      LEU  19   3.729 -12.460   1.728
  121    H    ASP  20           HN       ASP  20   0.949 -12.645  -3.809
  122    HA   ASP  20           HA       ASP  20  -1.166 -12.148  -4.525
  123    HB2  ASP  20           HB2      ASP  20  -1.491 -15.105  -3.982
  124    HB3  ASP  20           HB1      ASP  20  -2.524 -14.136  -5.028
  125    H    LYS  21           HN       LYS  21  -1.713 -10.811  -2.716
  126    HA   LYS  21           HA       LYS  21  -4.159 -11.528  -1.508
  127    HB2  LYS  21           HB2      LYS  21  -1.936 -12.483  -0.115
  128    HB3  LYS  21           HB1      LYS  21  -2.421 -11.038   0.761
  129    HG2  LYS  21           HG2      LYS  21  -4.400 -11.936   1.431
  130    HG3  LYS  21           HG1      LYS  21  -4.543 -12.964   0.005
  131    HD2  LYS  21           HD2      LYS  21  -3.846 -14.664   1.265
  132    HD3  LYS  21           HD1      LYS  21  -2.266 -13.883   1.331
  133    HE2  LYS  21           HE2      LYS  21  -4.521 -13.335   3.256
  134    HE3  LYS  21           HE1      LYS  21  -3.208 -14.472   3.562
  135    HZ1  LYS  21           HZ1      LYS  21  -2.809 -11.585   2.996
  136    HZ2  LYS  21           HZ2      LYS  21  -1.632 -12.697   3.482
  137    HZ3  LYS  21           HZ3      LYS  21  -2.863 -12.247   4.551
  138    H    CYS  22           HN       CYS  22  -5.259  -9.740  -0.922
  139    HA   CYS  22           HA       CYS  22  -4.058  -7.186  -1.440
  140    HB2  CYS  22           HB2      CYS  22  -6.762  -8.244  -1.021
  141    HB3  CYS  22           HB1      CYS  22  -6.520  -6.636  -0.343
  142    H    MET  23           HN       MET  23  -4.294  -5.353   0.102
  143    HA   MET  23           HA       MET  23  -4.514  -5.893   2.888
  144    HB2  MET  23           HB2      MET  23  -2.032  -6.464   1.830
  145    HB3  MET  23           HB1      MET  23  -1.829  -4.826   2.435
  146    HG2  MET  23           HG2      MET  23  -1.974  -5.456   4.589
  147    HG3  MET  23           HG1      MET  23  -3.172  -6.704   4.257
  148    HE1  MET  23           HE1      MET  23  -1.261  -7.237   6.379
  149    HE2  MET  23           HE2      MET  23   0.190  -6.417   5.803
  150    HE3  MET  23           HE3      MET  23   0.195  -8.167   6.025
  151    H    ASP  24           HN       ASP  24  -5.197  -4.106   3.876
  152    HA   ASP  24           HA       ASP  24  -5.670  -1.721   2.490
  153    HB2  ASP  24           HB2      ASP  24  -5.854  -2.601   5.324
  154    HB3  ASP  24           HB1      ASP  24  -5.833  -0.865   5.026
  155    H    CYS  25           HN       CYS  25  -4.822   0.423   2.947
  156    HA   CYS  25           HA       CYS  25  -2.062   0.602   2.638
  157    HB2  CYS  25           HB2      CYS  25  -4.261   2.396   2.723
  158    HB3  CYS  25           HB1      CYS  25  -3.031   3.029   3.810
  159    H    ALA  26           HN       ALA  26  -3.973   0.368   5.517
  160    HA   ALA  26           HA       ALA  26  -1.832   1.271   7.252
  161    HB1  ALA  26           HB1      ALA  26  -3.429   0.681   9.075
  162    HB2  ALA  26           HB2      ALA  26  -4.580   0.183   7.834
  163    HB3  ALA  26           HB3      ALA  26  -4.048   1.862   7.921
  164    H    SER  27           HN       SER  27  -0.156  -0.125   7.231
  165    HA   SER  27           HA       SER  27  -0.330  -2.523   8.694
  166    HB2  SER  27           HB2      SER  27  -1.234  -2.971   6.183
  167    HB3  SER  27           HB1      SER  27   0.490  -3.253   5.943
  168    HG   SER  27           HG       SER  27  -1.051  -5.037   6.736
  169    H    CYS  28           HN       CYS  28   1.485  -0.955   6.075
  170    HA   CYS  28           HA       CYS  28   3.994  -1.781   7.249
  171    HB2  CYS  28           HB2      CYS  28   5.026  -0.785   5.269
  172    HB3  CYS  28           HB1      CYS  28   3.727  -1.879   4.809
  173    H    ARG  29           HN       ARG  29   2.885  -0.292   9.100
  174    HA   ARG  29           HA       ARG  29   3.665   2.492   8.780
  175    HB2  ARG  29           HB2      ARG  29   1.943   0.964  10.612
  176    HB3  ARG  29           HB1      ARG  29   2.853   2.259  11.379
  177    HG2  ARG  29           HG2      ARG  29   1.911   3.560   9.219
  178    HG3  ARG  29           HG1      ARG  29   0.619   2.385   9.472
  179    HD2  ARG  29           HD2      ARG  29   0.773   3.137  11.951
  180    HD3  ARG  29           HD1      ARG  29   1.595   4.551  11.292
  181    HE   ARG  29           HE       ARG  29  -0.899   3.971   9.992
  182   HH11  ARG  29          HH11      ARG  29   0.596   5.572  12.709
  183   HH12  ARG  29          HH12      ARG  29  -0.700   6.701  12.918
  184   HH21  ARG  29          HH21      ARG  29  -2.606   5.456  10.266
  185   HH22  ARG  29          HH22      ARG  29  -2.518   6.635  11.531
  186    H    ALA  30           HN       ALA  30   4.787  -0.419  10.323
  187    HA   ALA  30           HA       ALA  30   7.018   1.108  11.502
  188    HB1  ALA  30           HB1      ALA  30   7.171  -1.011  13.011
  189    HB2  ALA  30           HB2      ALA  30   5.490  -1.242  12.531
  190    HB3  ALA  30           HB3      ALA  30   5.974   0.236  13.363
  191    H    ARG  31           HN       ARG  31   6.089  -1.927   9.924
  192    HA   ARG  31           HA       ARG  31   8.922  -2.394   9.283
  193    HB2  ARG  31           HB2      ARG  31   6.607  -4.191   9.773
  194    HB3  ARG  31           HB1      ARG  31   7.788  -4.714   8.580
  195    HG2  ARG  31           HG2      ARG  31   8.628  -5.671  10.478
  196    HG3  ARG  31           HG1      ARG  31   9.508  -4.142  10.460
  197    HD2  ARG  31           HD2      ARG  31   8.778  -4.263  12.652
  198    HD3  ARG  31           HD1      ARG  31   7.531  -3.275  11.893
  199    HE   ARG  31           HE       ARG  31   6.932  -6.086  11.906
  200   HH11  ARG  31          HH11      ARG  31   6.733  -3.109  13.716
  201   HH12  ARG  31          HH12      ARG  31   5.392  -3.638  14.677
  202   HH21  ARG  31          HH21      ARG  31   5.169  -6.782  13.167
  203   HH22  ARG  31          HH22      ARG  31   4.505  -5.723  14.366
  204    HA   PRO  32           HA       PRO  32   7.168  -1.097   5.237
  205    HB2  PRO  32           HB2      PRO  32   9.359   0.218   4.382
  206    HB3  PRO  32           HB1      PRO  32   8.193   0.957   5.487
  207    HG2  PRO  32           HG2      PRO  32  10.838  -0.308   6.093
  208    HG3  PRO  32           HG1      PRO  32  10.142   1.192   6.735
  209    HD2  PRO  32           HD2      PRO  32  10.108  -1.173   8.091
  210    HD3  PRO  32           HD1      PRO  32   8.869   0.081   8.291
  211    H    HIS  33           HN       HIS  33   7.217  -3.361   4.676
  212    HA   HIS  33           HA       HIS  33   9.224  -3.950   2.713
  213    HB2  HIS  33           HB2      HIS  33  10.055  -4.689   5.120
  214    HB3  HIS  33           HB1      HIS  33   9.010  -6.071   4.803
  215    HD1  HIS  33           HD1      HIS  33  12.003  -4.295   3.306
  216    HD2  HIS  33           HD2      HIS  33  10.113  -7.995   3.211
  217    HE1  HIS  33           HE1      HIS  33  13.528  -5.796   1.985
  218    HE2  HIS  33           HE2      HIS  33  12.322  -8.004   1.865
  219    H    SER  34           HN       SER  34   6.864  -3.647   1.904
  220    HA   SER  34           HA       SER  34   5.865  -6.290   1.330
  221    HB2  SER  34           HB2      SER  34   3.490  -4.915   1.769
  222    HB3  SER  34           HB1      SER  34   4.175  -6.167   2.806
  223    HG   SER  34           HG       SER  34   3.959  -4.482   4.146
  224    H    ASP  35           HN       ASP  35   5.109  -6.466  -0.700
  225    HA   ASP  35           HA       ASP  35   5.613  -4.494  -2.596
  226    HB2  ASP  35           HB2      ASP  35   5.386  -6.911  -3.100
  227    HB3  ASP  35           HB1      ASP  35   3.650  -6.784  -2.833
  228    H    PHE  36           HN       PHE  36   2.611  -5.315  -0.917
  229    HA   PHE  36           HA       PHE  36   0.899  -3.644  -2.387
  230    HB2  PHE  36           HB2      PHE  36  -0.653  -3.861  -0.525
  231    HB3  PHE  36           HB1      PHE  36   0.103  -5.414  -0.861
  232    HD1  PHE  36           HD2      PHE  36   0.426  -2.438   1.352
  233    HD2  PHE  36           HD1      PHE  36   1.056  -6.619   0.865
  234    HE1  PHE  36           HE2      PHE  36   1.107  -2.607   3.711
  235    HE2  PHE  36           HE1      PHE  36   1.736  -6.795   3.223
  236    HZ   PHE  36           HZ       PHE  36   1.763  -4.787   4.648
  237    H    CYS  37           HN       CYS  37   3.096  -2.993   0.248
  238    HA   CYS  37           HA       CYS  37   2.061  -0.415   0.890
  239    HB2  CYS  37           HB2      CYS  37   3.434  -1.753   2.462
  240    HB3  CYS  37           HB1      CYS  37   4.823  -1.542   1.402
  241    H    LEU  38           HN       LEU  38   4.364  -1.639  -1.424
  242    HA   LEU  38           HA       LEU  38   5.609   0.829  -2.054
  243    HB2  LEU  38           HB2      LEU  38   5.452  -1.868  -3.302
  244    HB3  LEU  38           HB1      LEU  38   5.973  -0.534  -4.313
  245    HG   LEU  38           HG       LEU  38   7.852  -1.791  -3.309
  246   HD11  LEU  38          HD11      LEU  38   8.788   0.393  -2.090
  247   HD12  LEU  38          HD12      LEU  38   7.400   1.103  -2.914
  248   HD13  LEU  38          HD13      LEU  38   8.640   0.261  -3.843
  249   HD21  LEU  38          HD21      LEU  38   7.042  -2.499  -1.222
  250   HD22  LEU  38          HD22      LEU  38   6.567  -0.865  -0.757
  251   HD23  LEU  38          HD23      LEU  38   8.274  -1.295  -0.847
  252    H    GLY  39           HN       GLY  39   2.656  -0.718  -3.079
  253    HA2  GLY  39           HA2      GLY  39   2.272   1.206  -5.244
  254    HA3  GLY  39           HA1      GLY  39   1.240  -0.169  -4.880
  255    H    CYS  40           HN       CYS  40   1.111   0.541  -2.017
  256    HA   CYS  40           HA       CYS  40  -1.150   2.294  -2.190
  257    HB2  CYS  40           HB2      CYS  40  -0.486   0.288  -0.497
  258    HB3  CYS  40           HB1      CYS  40  -0.022   1.680   0.476
  259    H    ALA  41           HN       ALA  41   2.203   2.608  -1.287
  260    HA   ALA  41           HA       ALA  41   2.111   4.978   0.184
  261    HB1  ALA  41           HB1      ALA  41   4.411   5.088  -0.069
  262    HB2  ALA  41           HB2      ALA  41   4.368   4.398  -1.691
  263    HB3  ALA  41           HB3      ALA  41   4.083   3.369  -0.289
  264    H    ALA  42           HN       ALA  42   2.218   4.440  -3.303
  265    HA   ALA  42           HA       ALA  42   1.863   5.816  -5.080
  266    HB1  ALA  42           HB1      ALA  42   0.590   7.945  -3.486
  267    HB2  ALA  42           HB2      ALA  42  -0.134   6.342  -3.357
  268    HB3  ALA  42           HB3      ALA  42   0.023   7.114  -4.935
  269    H    ALA  43           HN       ALA  43   3.780   6.569  -5.773
  270    HA   ALA  43           HA       ALA  43   4.624   9.194  -4.795
  271    HB1  ALA  43           HB1      ALA  43   5.902   7.131  -3.764
  272    HB2  ALA  43           HB2      ALA  43   6.757   8.603  -4.224
  273    HB3  ALA  43           HB3      ALA  43   6.776   7.202  -5.294
  274    HA   PRO  44           HA       PRO  44   5.081   9.905  -9.140
  275    HB2  PRO  44           HB2      PRO  44   6.566  12.155  -9.095
  276    HB3  PRO  44           HB1      PRO  44   4.868  12.135  -8.603
  277    HG2  PRO  44           HG2      PRO  44   7.333  12.078  -6.904
  278    HG3  PRO  44           HG1      PRO  44   5.844  13.014  -6.682
  279    HD2  PRO  44           HD2      PRO  44   6.362  10.709  -5.333
  280    HD3  PRO  44           HD1      PRO  44   4.720  11.240  -5.746
  281    HA   PRO  45           HA       PRO  45   8.930   7.746 -10.005
  282    HB2  PRO  45           HB2      PRO  45   8.269   8.515 -12.792
  283    HB3  PRO  45           HB1      PRO  45   8.599   6.918 -12.112
  284    HG2  PRO  45           HG2      PRO  45   6.120   7.634 -12.785
  285    HG3  PRO  45           HG1      PRO  45   6.431   6.649 -11.344
  286    HD2  PRO  45           HD2      PRO  45   5.809   9.568 -11.548
  287    HD3  PRO  45           HD1      PRO  45   5.255   8.377 -10.353
  288    H    ALA  46           HN       ALA  46   8.122  11.002 -10.827
  289    HA   ALA  46           HA       ALA  46   9.441  12.869 -10.900
  290    HB1  ALA  46           HB1      ALA  46  11.551  12.844 -10.075
  291    HB2  ALA  46           HB2      ALA  46  12.014  11.410 -10.992
  292    HB3  ALA  46           HB3      ALA  46  11.051  11.246  -9.523
  293    HA   PRO  47           HA       PRO  47   9.568  12.516 -15.416
  294    HB2  PRO  47           HB2      PRO  47   9.880  15.454 -15.101
  295    HB3  PRO  47           HB1      PRO  47   8.742  14.543 -16.100
  296    HG2  PRO  47           HG2      PRO  47   7.928  15.751 -13.872
  297    HG3  PRO  47           HG1      PRO  47   7.292  14.159 -14.330
  298    HD2  PRO  47           HD2      PRO  47   9.342  14.861 -12.269
  299    HD3  PRO  47           HD1      PRO  47   8.054  13.641 -12.209
  300    H    PHE  48           HN       PHE  48  10.997  14.473 -16.829
  301    HA   PHE  48           HA       PHE  48  13.079  15.074 -17.529
  302    HB2  PHE  48           HB2      PHE  48  13.330  15.032 -14.667
  303    HB3  PHE  48           HB1      PHE  48  14.808  14.405 -15.388
  304    HD1  PHE  48           HD2      PHE  48  15.287  15.912 -17.721
  305    HD2  PHE  48           HD1      PHE  48  13.575  17.220 -14.051
  306    HE1  PHE  48           HE2      PHE  48  16.028  18.209 -18.199
  307    HE2  PHE  48           HE1      PHE  48  14.311  19.520 -14.522
  308    HZ   PHE  48           HZ       PHE  48  15.539  20.017 -16.598
  309    H    ARG  49           HN       ARG  49  15.544  13.989 -17.273
  310    HA   ARG  49           HA       ARG  49  15.414  11.680 -18.821
  311    HB2  ARG  49           HB2      ARG  49  17.822  11.442 -18.374
  312    HB3  ARG  49           HB1      ARG  49  17.389  13.099 -18.772
  313    HG2  ARG  49           HG2      ARG  49  17.295  12.600 -15.917
  314    HG3  ARG  49           HG1      ARG  49  18.884  12.265 -16.610
  315    HD2  ARG  49           HD2      ARG  49  18.910  14.491 -17.624
  316    HD3  ARG  49           HD1      ARG  49  17.320  14.824 -16.940
  317    HE   ARG  49           HE       ARG  49  18.335  15.318 -14.961
  318   HH11  ARG  49          HH11      ARG  49  20.529  13.386 -16.867
  319   HH12  ARG  49          HH12      ARG  49  21.838  13.539 -15.743
  320   HH21  ARG  49          HH21      ARG  49  20.055  15.521 -13.482
  321   HH22  ARG  49          HH22      ARG  49  21.570  14.751 -13.822
  322    H    LEU  50           HN       LEU  50  16.399   9.541 -18.250
  323    HA   LEU  50           HA       LEU  50  16.436   8.629 -15.570
  324    HB2  LEU  50           HB2      LEU  50  14.027   8.895 -15.724
  325    HB3  LEU  50           HB1      LEU  50  13.989   7.950 -17.200
  326    HG   LEU  50           HG       LEU  50  15.127   6.156 -15.528
  327   HD11  LEU  50          HD11      LEU  50  13.432   6.410 -13.496
  328   HD12  LEU  50          HD12      LEU  50  13.667   8.120 -13.859
  329   HD13  LEU  50          HD13      LEU  50  15.054   7.103 -13.468
  330   HD21  LEU  50          HD21      LEU  50  12.928   5.122 -15.382
  331   HD22  LEU  50          HD22      LEU  50  13.195   5.793 -16.991
  332   HD23  LEU  50          HD23      LEU  50  12.167   6.645 -15.839
  333    H    LEU  51           HN       LEU  51  17.942   7.108 -15.654
  334    HA   LEU  51           HA       LEU  51  17.963   5.275 -17.961
  335    HB2  LEU  51           HB2      LEU  51  20.414   6.121 -16.430
  336    HB3  LEU  51           HB1      LEU  51  20.344   5.242 -17.946
  337    HG   LEU  51           HG       LEU  51  19.234   8.016 -17.809
  338   HD11  LEU  51          HD11      LEU  51  21.312   8.513 -16.913
  339   HD12  LEU  51          HD12      LEU  51  21.586   8.687 -18.646
  340   HD13  LEU  51          HD13      LEU  51  22.120   7.227 -17.811
  341   HD21  LEU  51          HD21      LEU  51  20.154   7.971 -20.172
  342   HD22  LEU  51          HD22      LEU  51  18.786   6.908 -19.837
  343   HD23  LEU  51          HD23      LEU  51  20.417   6.244 -19.928
  344    H    TRP  52           HN       TRP  52  18.509   3.118 -17.567
  345    HA   TRP  52           HA       TRP  52  18.763   2.316 -14.754
  346    HB2  TRP  52           HB2      TRP  52  16.668   1.455 -16.717
  347    HB3  TRP  52           HB1      TRP  52  17.211   0.330 -15.476
  348    HD1  TRP  52           HD1      TRP  52  14.484   2.550 -15.992
  349    HE1  TRP  52           HE1      TRP  52  13.505   3.453 -13.790
  350    HE3  TRP  52           HE3      TRP  52  18.343   1.381 -12.848
  351    HZ2  TRP  52           HZ2      TRP  52  14.267   3.644 -11.078
  352    HZ3  TRP  52           HZ3      TRP  52  18.138   1.958 -10.464
  353    HH2  TRP  52           HH2      TRP  52  16.142   3.067  -9.600
  354    HA   PRO  53           HA       PRO  53  21.825   0.172 -17.543
  355    HB2  PRO  53           HB2      PRO  53  23.991   0.639 -15.979
  356    HB3  PRO  53           HB1      PRO  53  23.425   1.787 -17.198
  357    HG2  PRO  53           HG2      PRO  53  22.968   1.787 -14.239
  358    HG3  PRO  53           HG1      PRO  53  23.378   3.142 -15.308
  359    HD2  PRO  53           HD2      PRO  53  20.853   2.675 -14.445
  360    HD3  PRO  53           HD1      PRO  53  21.204   3.392 -16.032
  Start of MODEL    7
    1    H1   GLU   1           HT1      GLU   1 -14.336 -11.396   0.144
    2    H2   GLU   1           HT2      GLU   1 -14.911 -13.009   0.032
    3    H3   GLU   1           HT3      GLU   1 -14.090 -12.483   1.445
    4    HA   GLU   1           HA       GLU   1 -16.517 -12.663   1.648
    5    HB2  GLU   1           HB2      GLU   1 -14.682 -10.872   2.662
    6    HB3  GLU   1           HB1      GLU   1 -15.971  -9.817   2.098
    7    HG2  GLU   1           HG2      GLU   1 -17.564 -10.863   3.501
    8    HG3  GLU   1           HG1      GLU   1 -16.459 -12.183   3.883
    9    H    GLN   2           HN       GLN   2 -15.476  -9.799  -0.214
   10    HA   GLN   2           HA       GLN   2 -18.155  -9.729  -1.434
   11    HB2  GLN   2           HB2      GLN   2 -17.027  -7.729  -0.065
   12    HB3  GLN   2           HB1      GLN   2 -16.331  -7.389  -1.643
   13    HG2  GLN   2           HG2      GLN   2 -18.540  -7.231  -2.618
   14    HG3  GLN   2           HG1      GLN   2 -19.273  -7.662  -1.074
   15   HE21  GLN   2          HE21      GLN   2 -18.699  -6.195   0.763
   16   HE22  GLN   2          HE22      GLN   2 -18.629  -4.501   0.429
   17    H    ALA   3           HN       ALA   3 -17.393 -11.404  -2.918
   18    HA   ALA   3           HA       ALA   3 -16.667 -12.106  -4.957
   19    HB1  ALA   3           HB1      ALA   3 -16.970  -9.166  -5.342
   20    HB2  ALA   3           HB2      ALA   3 -17.856 -10.498  -6.083
   21    HB3  ALA   3           HB3      ALA   3 -16.217 -10.124  -6.618
   22    HA   PRO   4           HA       PRO   4 -12.267 -11.292  -3.427
   23    HB2  PRO   4           HB2      PRO   4 -12.290 -14.231  -3.908
   24    HB3  PRO   4           HB1      PRO   4 -11.570 -13.313  -2.580
   25    HG2  PRO   4           HG2      PRO   4 -13.821 -14.686  -2.215
   26    HG3  PRO   4           HG1      PRO   4 -13.589 -13.098  -1.458
   27    HD2  PRO   4           HD2      PRO   4 -15.233 -13.843  -3.838
   28    HD3  PRO   4           HD1      PRO   4 -15.560 -12.646  -2.568
   29    H    GLY   5           HN       GLY   5 -10.867 -10.647  -4.931
   30    HA2  GLY   5           HA2      GLY   5  -9.386 -11.335  -6.754
   31    HA3  GLY   5           HA1      GLY   5 -10.771 -12.134  -7.481
   32    H    THR   6           HN       THR   6 -11.135  -9.001  -6.023
   33    HA   THR   6           HA       THR   6 -11.390  -7.832  -8.718
   34    HB   THR   6           HB       THR   6 -12.742  -6.562  -6.390
   35    HG1  THR   6           HG1      THR   6 -14.426  -8.003  -6.460
   36   HG21  THR   6          HG21      THR   6 -14.374  -5.919  -7.928
   37   HG22  THR   6          HG22      THR   6 -13.872  -7.132  -9.105
   38   HG23  THR   6          HG23      THR   6 -12.846  -5.732  -8.788
   39    H    ALA   7           HN       ALA   7 -10.755  -5.629  -8.991
   40    HA   ALA   7           HA       ALA   7  -8.297  -4.983  -7.822
   41    HB1  ALA   7           HB1      ALA   7 -10.095  -3.794  -9.759
   42    HB2  ALA   7           HB2      ALA   7  -8.332  -3.760  -9.680
   43    HB3  ALA   7           HB3      ALA   7  -9.279  -2.580  -8.773
   44    HA   PRO   8           HA       PRO   8 -10.660  -1.754  -5.121
   45    HB2  PRO   8           HB2      PRO   8 -13.476  -2.528  -5.182
   46    HB3  PRO   8           HB1      PRO   8 -12.742  -0.966  -5.549
   47    HG2  PRO   8           HG2      PRO   8 -13.867  -2.533  -7.448
   48    HG3  PRO   8           HG1      PRO   8 -12.499  -1.455  -7.781
   49    HD2  PRO   8           HD2      PRO   8 -12.509  -4.415  -7.303
   50    HD3  PRO   8           HD1      PRO   8 -11.596  -3.470  -8.499
   51    H    CYS   9           HN       CYS   9  -9.605  -4.175  -4.373
   52    HA   CYS   9           HA       CYS   9 -11.298  -5.699  -2.695
   53    HB2  CYS   9           HB2      CYS   9  -9.179  -6.562  -3.639
   54    HB3  CYS   9           HB1      CYS   9  -8.287  -5.449  -2.608
   55    H    SER  10           HN       SER  10 -12.263  -4.901  -0.949
   56    HA   SER  10           HA       SER  10 -12.623  -3.832   1.026
   57    HB2  SER  10           HB2      SER  10  -9.661  -4.329   1.134
   58    HB3  SER  10           HB1      SER  10 -10.461  -3.423   2.418
   59    HG   SER  10           HG       SER  10 -11.372  -5.958   1.555
   60    H    ARG  11           HN       ARG  11 -11.647  -1.819   2.390
   61    HA   ARG  11           HA       ARG  11 -11.498   0.359   0.429
   62    HB2  ARG  11           HB2      ARG  11 -12.263   0.425   3.354
   63    HB3  ARG  11           HB1      ARG  11 -12.260   1.811   2.273
   64    HG2  ARG  11           HG2      ARG  11 -14.462   1.267   2.181
   65    HG3  ARG  11           HG1      ARG  11 -13.865   0.265   0.857
   66    HD2  ARG  11           HD2      ARG  11 -13.513  -1.400   2.968
   67    HD3  ARG  11           HD1      ARG  11 -14.942  -0.505   3.483
   68    HE   ARG  11           HE       ARG  11 -15.443  -1.252   0.889
   69   HH11  ARG  11          HH11      ARG  11 -14.697  -2.907   3.870
   70   HH12  ARG  11          HH12      ARG  11 -15.581  -4.334   3.444
   71   HH21  ARG  11          HH21      ARG  11 -16.606  -3.127   0.327
   72   HH22  ARG  11          HH22      ARG  11 -16.664  -4.460   1.432
   73    H    GLY  12           HN       GLY  12  -9.728   1.588   0.249
   74    HA2  GLY  12           HA2      GLY  12  -7.632   2.437   0.638
   75    HA3  GLY  12           HA1      GLY  12  -7.992   2.275   2.349
   76    H    SER  13           HN       SER  13  -7.367   0.048  -0.369
   77    HA   SER  13           HA       SER  13  -5.219  -1.162   1.222
   78    HB2  SER  13           HB2      SER  13  -7.199  -2.821  -0.342
   79    HB3  SER  13           HB1      SER  13  -5.972  -3.386   0.791
   80    HG   SER  13           HG       SER  13  -8.415  -2.091   1.310
   81    H    SER  14           HN       SER  14  -4.358  -3.093  -0.449
   82    HA   SER  14           HA       SER  14  -4.174  -2.199  -3.154
   83    HB2  SER  14           HB2      SER  14  -2.080  -1.463  -1.205
   84    HB3  SER  14           HB1      SER  14  -1.494  -2.154  -2.718
   85    HG   SER  14           HG       SER  14  -2.024   0.279  -2.438
   86    H    TRP  15           HN       TRP  15  -3.529  -3.797  -4.511
   87    HA   TRP  15           HA       TRP  15  -3.574  -6.448  -3.670
   88    HB2  TRP  15           HB2      TRP  15  -4.070  -6.088  -5.932
   89    HB3  TRP  15           HB1      TRP  15  -2.640  -5.095  -6.186
   90    HD1  TRP  15           HD1      TRP  15  -0.628  -6.261  -7.274
   91    HE1  TRP  15           HE1      TRP  15   0.001  -8.695  -7.821
   92    HE3  TRP  15           HE3      TRP  15  -4.462  -8.657  -4.886
   93    HZ2  TRP  15           HZ2      TRP  15  -0.993 -11.282  -7.307
   94    HZ3  TRP  15           HZ3      TRP  15  -4.551 -11.113  -4.964
   95    HH2  TRP  15           HH2      TRP  15  -2.850 -12.398  -6.152
   96    H    SER  16           HN       SER  16  -1.843  -8.075  -3.804
   97    HA   SER  16           HA       SER  16   0.830  -7.033  -3.338
   98    HB2  SER  16           HB2      SER  16   0.090  -9.274  -1.573
   99    HB3  SER  16           HB1      SER  16   1.051  -7.836  -1.228
  100    HG   SER  16           HG       SER  16  -0.919  -7.809  -0.089
  101    H    ALA  17           HN       ALA  17   2.356  -8.142  -4.382
  102    HA   ALA  17           HA       ALA  17   1.573 -10.601  -5.750
  103    HB1  ALA  17           HB1      ALA  17   2.651  -8.634  -6.939
  104    HB2  ALA  17           HB2      ALA  17   3.357 -10.222  -7.238
  105    HB3  ALA  17           HB3      ALA  17   4.148  -9.100  -6.131
  106    H    ASP  18           HN       ASP  18   3.527  -9.525  -3.120
  107    HA   ASP  18           HA       ASP  18   5.525 -11.427  -2.984
  108    HB2  ASP  18           HB2      ASP  18   4.062  -9.785  -0.988
  109    HB3  ASP  18           HB1      ASP  18   4.989 -11.147  -0.368
  110    H    LEU  19           HN       LEU  19   2.122 -11.744  -2.262
  111    HA   LEU  19           HA       LEU  19   2.445 -14.628  -2.103
  112    HB2  LEU  19           HB2      LEU  19   0.824 -14.583  -0.082
  113    HB3  LEU  19           HB1      LEU  19   2.537 -14.326   0.182
  114    HG   LEU  19           HG       LEU  19   1.872 -11.784  -0.026
  115   HD11  LEU  19          HD11      LEU  19  -0.371 -11.440   1.042
  116   HD12  LEU  19          HD12      LEU  19  -0.713 -13.139   0.710
  117   HD13  LEU  19          HD13      LEU  19  -0.415 -12.022  -0.623
  118   HD21  LEU  19          HD21      LEU  19   1.782 -13.677   2.249
  119   HD22  LEU  19          HD22      LEU  19   1.148 -12.055   2.526
  120   HD23  LEU  19          HD23      LEU  19   2.812 -12.271   1.981
  121    H    ASP  20           HN       ASP  20   1.198 -12.513  -3.854
  122    HA   ASP  20           HA       ASP  20  -0.754 -12.060  -4.963
  123    HB2  ASP  20           HB2      ASP  20  -1.841 -14.112  -5.850
  124    HB3  ASP  20           HB1      ASP  20  -0.088 -14.135  -6.011
  125    H    LYS  21           HN       LYS  21  -1.745 -10.932  -3.186
  126    HA   LYS  21           HA       LYS  21  -4.370 -11.754  -2.675
  127    HB2  LYS  21           HB2      LYS  21  -2.360 -12.635  -0.711
  128    HB3  LYS  21           HB1      LYS  21  -3.748 -11.809  -0.017
  129    HG2  LYS  21           HG2      LYS  21  -4.846 -13.587  -1.843
  130    HG3  LYS  21           HG1      LYS  21  -3.530 -14.484  -1.083
  131    HD2  LYS  21           HD2      LYS  21  -4.428 -13.986   1.118
  132    HD3  LYS  21           HD1      LYS  21  -5.705 -13.004   0.396
  133    HE2  LYS  21           HE2      LYS  21  -6.932 -14.874   0.475
  134    HE3  LYS  21           HE1      LYS  21  -5.989 -15.379  -0.927
  135    HZ1  LYS  21           HZ1      LYS  21  -4.846 -15.910   1.705
  136    HZ2  LYS  21           HZ2      LYS  21  -4.786 -16.839   0.292
  137    HZ3  LYS  21           HZ3      LYS  21  -6.180 -16.845   1.249
  138    H    CYS  22           HN       CYS  22  -5.449  -9.913  -2.457
  139    HA   CYS  22           HA       CYS  22  -4.154  -7.434  -2.061
  140    HB2  CYS  22           HB2      CYS  22  -6.508  -6.536  -1.892
  141    HB3  CYS  22           HB1      CYS  22  -6.160  -7.454  -3.352
  142    H    MET  23           HN       MET  23  -3.871  -6.190  -0.291
  143    HA   MET  23           HA       MET  23  -5.208  -6.841   2.185
  144    HB2  MET  23           HB2      MET  23  -2.872  -8.078   1.825
  145    HB3  MET  23           HB1      MET  23  -2.258  -6.536   2.404
  146    HG2  MET  23           HG2      MET  23  -2.988  -6.876   4.504
  147    HG3  MET  23           HG1      MET  23  -4.446  -7.715   3.978
  148    HE1  MET  23           HE1      MET  23  -2.346  -8.758   6.562
  149    HE2  MET  23           HE2      MET  23  -1.244  -7.795   5.578
  150    HE3  MET  23           HE3      MET  23  -0.903  -9.500   5.872
  151    H    ASP  24           HN       ASP  24  -5.278  -5.144   3.661
  152    HA   ASP  24           HA       ASP  24  -5.232  -2.557   2.597
  153    HB2  ASP  24           HB2      ASP  24  -5.451  -1.830   5.009
  154    HB3  ASP  24           HB1      ASP  24  -6.651  -2.999   4.464
  155    H    CYS  25           HN       CYS  25  -3.986  -0.704   3.594
  156    HA   CYS  25           HA       CYS  25  -1.142  -1.423   3.634
  157    HB2  CYS  25           HB2      CYS  25  -2.519   1.203   3.054
  158    HB3  CYS  25           HB1      CYS  25  -0.773   0.994   3.116
  159    H    ALA  26           HN       ALA  26  -3.509  -0.852   5.820
  160    HA   ALA  26           HA       ALA  26  -2.565   1.071   7.572
  161    HB1  ALA  26           HB1      ALA  26  -3.652  -0.549   9.337
  162    HB2  ALA  26           HB2      ALA  26  -4.224  -1.380   7.891
  163    HB3  ALA  26           HB3      ALA  26  -4.644   0.312   8.159
  164    H    SER  27           HN       SER  27  -1.516  -2.248   7.121
  165    HA   SER  27           HA       SER  27   0.026  -2.525   9.449
  166    HB2  SER  27           HB2      SER  27  -0.660  -4.251   7.560
  167    HB3  SER  27           HB1      SER  27   0.922  -3.820   6.909
  168    HG   SER  27           HG       SER  27   1.128  -5.572   8.306
  169    H    CYS  28           HN       CYS  28   0.860  -1.310   6.231
  170    HA   CYS  28           HA       CYS  28   3.565  -0.728   7.043
  171    HB2  CYS  28           HB2      CYS  28   2.059  -0.758   4.497
  172    HB3  CYS  28           HB1      CYS  28   3.368   0.414   4.603
  173    H    ARG  29           HN       ARG  29   2.095   0.650   8.734
  174    HA   ARG  29           HA       ARG  29   1.342   3.248   7.835
  175    HB2  ARG  29           HB2      ARG  29   1.034   3.775  10.178
  176    HB3  ARG  29           HB1      ARG  29   0.379   2.178   9.847
  177    HG2  ARG  29           HG2      ARG  29   1.498   1.640  11.719
  178    HG3  ARG  29           HG1      ARG  29   2.862   1.500  10.609
  179    HD2  ARG  29           HD2      ARG  29   3.250   3.992  11.096
  180    HD3  ARG  29           HD1      ARG  29   2.173   3.750  12.469
  181    HE   ARG  29           HE       ARG  29   4.296   1.832  12.367
  182   HH11  ARG  29          HH11      ARG  29   3.444   5.061  13.379
  183   HH12  ARG  29          HH12      ARG  29   4.663   5.132  14.607
  184   HH21  ARG  29          HH21      ARG  29   5.899   1.924  13.983
  185   HH22  ARG  29          HH22      ARG  29   6.057   3.352  14.949
  186    H    ALA  30           HN       ALA  30   4.341   1.835   8.339
  187    HA   ALA  30           HA       ALA  30   5.788   4.171   7.793
  188    HB1  ALA  30           HB1      ALA  30   6.906   4.573   9.917
  189    HB2  ALA  30           HB2      ALA  30   5.924   3.325  10.685
  190    HB3  ALA  30           HB3      ALA  30   5.163   4.796  10.079
  191    H    ARG  31           HN       ARG  31   5.721   0.928   9.117
  192    HA   ARG  31           HA       ARG  31   8.524   0.513   8.396
  193    HB2  ARG  31           HB2      ARG  31   8.290  -1.639   9.573
  194    HB3  ARG  31           HB1      ARG  31   7.856  -0.275  10.594
  195    HG2  ARG  31           HG2      ARG  31   5.525  -1.235   9.239
  196    HG3  ARG  31           HG1      ARG  31   6.344  -2.575  10.043
  197    HD2  ARG  31           HD2      ARG  31   6.460  -0.691  11.976
  198    HD3  ARG  31           HD1      ARG  31   4.956  -0.238  11.175
  199    HE   ARG  31           HE       ARG  31   5.382  -3.010  12.048
  200   HH11  ARG  31          HH11      ARG  31   3.587  -0.015  12.273
  201   HH12  ARG  31          HH12      ARG  31   2.302  -0.718  13.192
  202   HH21  ARG  31          HH21      ARG  31   3.692  -3.920  13.261
  203   HH22  ARG  31          HH22      ARG  31   2.361  -2.929  13.755
  204    HA   PRO  32           HA       PRO  32   6.911  -1.264   4.570
  205    HB2  PRO  32           HB2      PRO  32   9.304  -1.555   3.344
  206    HB3  PRO  32           HB1      PRO  32   8.485   0.007   3.467
  207    HG2  PRO  32           HG2      PRO  32  10.716  -1.097   5.130
  208    HG3  PRO  32           HG1      PRO  32  10.522   0.533   4.459
  209    HD2  PRO  32           HD2      PRO  32   9.956  -0.073   7.045
  210    HD3  PRO  32           HD1      PRO  32   9.098   1.192   6.142
  211    H    HIS  33           HN       HIS  33   6.382  -3.338   4.327
  212    HA   HIS  33           HA       HIS  33   8.239  -5.463   4.344
  213    HB2  HIS  33           HB2      HIS  33   7.396  -6.671   6.351
  214    HB3  HIS  33           HB1      HIS  33   8.260  -5.189   6.747
  215    HD1  HIS  33           HD1      HIS  33   7.108  -4.682   8.937
  216    HD2  HIS  33           HD2      HIS  33   4.440  -5.236   5.799
  217    HE1  HIS  33           HE1      HIS  33   4.862  -3.992   9.833
  218    HE2  HIS  33           HE2      HIS  33   3.251  -4.410   7.941
  219    H    SER  34           HN       SER  34   6.343  -4.658   2.540
  220    HA   SER  34           HA       SER  34   4.940  -7.042   2.042
  221    HB2  SER  34           HB2      SER  34   3.564  -5.147   3.722
  222    HB3  SER  34           HB1      SER  34   2.701  -5.334   2.195
  223    HG   SER  34           HG       SER  34   3.434  -7.363   4.032
  224    H    ASP  35           HN       ASP  35   4.072  -7.103  -0.024
  225    HA   ASP  35           HA       ASP  35   5.130  -5.254  -1.873
  226    HB2  ASP  35           HB2      ASP  35   4.543  -7.727  -2.241
  227    HB3  ASP  35           HB1      ASP  35   2.889  -7.172  -2.483
  228    H    PHE  36           HN       PHE  36   1.908  -5.681  -0.490
  229    HA   PHE  36           HA       PHE  36   0.510  -3.936  -2.157
  230    HB2  PHE  36           HB2      PHE  36  -1.163  -3.811  -0.388
  231    HB3  PHE  36           HB1      PHE  36  -0.588  -5.463  -0.574
  232    HD1  PHE  36           HD2      PHE  36   0.025  -2.396   1.449
  233    HD2  PHE  36           HD1      PHE  36   0.054  -6.649   1.293
  234    HE1  PHE  36           HE2      PHE  36   0.540  -2.477   3.853
  235    HE2  PHE  36           HE1      PHE  36   0.566  -6.737   3.698
  236    HZ   PHE  36           HZ       PHE  36   0.811  -4.649   4.981
  237    H    CYS  37           HN       CYS  37   2.780  -3.277   0.361
  238    HA   CYS  37           HA       CYS  37   1.969  -0.626   0.959
  239    HB2  CYS  37           HB2      CYS  37   4.805  -1.636   1.135
  240    HB3  CYS  37           HB1      CYS  37   4.023  -0.409   2.126
  241    H    LEU  38           HN       LEU  38   4.073  -2.040  -1.472
  242    HA   LEU  38           HA       LEU  38   5.275   0.314  -2.412
  243    HB2  LEU  38           HB2      LEU  38   4.752  -2.393  -3.544
  244    HB3  LEU  38           HB1      LEU  38   5.234  -1.119  -4.649
  245    HG   LEU  38           HG       LEU  38   7.145  -2.470  -3.909
  246   HD11  LEU  38          HD11      LEU  38   7.279   0.313  -2.766
  247   HD12  LEU  38          HD12      LEU  38   7.391  -0.061  -4.485
  248   HD13  LEU  38          HD13      LEU  38   8.618  -0.663  -3.370
  249   HD21  LEU  38          HD21      LEU  38   7.898  -2.451  -1.627
  250   HD22  LEU  38          HD22      LEU  38   6.230  -3.022  -1.669
  251   HD23  LEU  38          HD23      LEU  38   6.586  -1.371  -1.158
  252    H    GLY  39           HN       GLY  39   2.124  -1.081  -2.947
  253    HA2  GLY  39           HA2      GLY  39   1.450   0.524  -5.220
  254    HA3  GLY  39           HA1      GLY  39   0.332  -0.411  -4.237
  255    H    CYS  40           HN       CYS  40   0.892   0.793  -1.734
  256    HA   CYS  40           HA       CYS  40  -0.734   3.142  -1.981
  257    HB2  CYS  40           HB2      CYS  40   0.459   1.588   0.270
  258    HB3  CYS  40           HB1      CYS  40  -0.052   3.243   0.584
  259    H    ALA  41           HN       ALA  41   2.613   2.514  -0.987
  260    HA   ALA  41           HA       ALA  41   3.206   5.320  -0.792
  261    HB1  ALA  41           HB1      ALA  41   5.621   4.098  -0.628
  262    HB2  ALA  41           HB2      ALA  41   4.545   2.804  -0.100
  263    HB3  ALA  41           HB3      ALA  41   4.538   4.356   0.738
  264    H    ALA  42           HN       ALA  42   2.589   5.740  -3.067
  265    HA   ALA  42           HA       ALA  42   4.153   4.695  -5.204
  266    HB1  ALA  42           HB1      ALA  42   2.753   5.830  -6.562
  267    HB2  ALA  42           HB2      ALA  42   2.833   7.302  -5.594
  268    HB3  ALA  42           HB3      ALA  42   1.787   5.973  -5.094
  269    H    ALA  43           HN       ALA  43   6.108   5.273  -5.876
  270    HA   ALA  43           HA       ALA  43   8.084   6.382  -6.086
  271    HB1  ALA  43           HB1      ALA  43   7.705   9.027  -5.882
  272    HB2  ALA  43           HB2      ALA  43   6.039   8.512  -6.151
  273    HB3  ALA  43           HB3      ALA  43   7.290   8.099  -7.324
  274    HA   PRO  44           HA       PRO  44   8.857   6.321  -1.561
  275    HB2  PRO  44           HB2      PRO  44  11.592   6.257  -2.760
  276    HB3  PRO  44           HB1      PRO  44  10.928   5.309  -1.425
  277    HG2  PRO  44           HG2      PRO  44  11.227   4.222  -3.832
  278    HG3  PRO  44           HG1      PRO  44   9.804   3.856  -2.840
  279    HD2  PRO  44           HD2      PRO  44  10.043   5.604  -5.241
  280    HD3  PRO  44           HD1      PRO  44   8.680   4.604  -4.700
  281    HA   PRO  45           HA       PRO  45   9.348  10.866  -1.848
  282    HB2  PRO  45           HB2      PRO  45   9.043  10.439   1.086
  283    HB3  PRO  45           HB1      PRO  45   8.250  11.614   0.032
  284    HG2  PRO  45           HG2      PRO  45   6.934   9.472   0.905
  285    HG3  PRO  45           HG1      PRO  45   6.707  10.068  -0.750
  286    HD2  PRO  45           HD2      PRO  45   8.250   7.706   0.221
  287    HD3  PRO  45           HD1      PRO  45   7.305   7.904  -1.268
  288    H    ALA  46           HN       ALA  46  10.820   8.803   0.657
  289    HA   ALA  46           HA       ALA  46  13.360  10.209   0.218
  290    HB1  ALA  46           HB1      ALA  46  12.776   9.415   3.005
  291    HB2  ALA  46           HB2      ALA  46  11.906  10.815   2.380
  292    HB3  ALA  46           HB3      ALA  46  13.670  10.802   2.382
  293    HA   PRO  47           HA       PRO  47  15.167   6.189   0.184
  294    HB2  PRO  47           HB2      PRO  47  17.598   6.622   1.302
  295    HB3  PRO  47           HB1      PRO  47  17.172   7.202  -0.312
  296    HG2  PRO  47           HG2      PRO  47  17.209   8.688   2.287
  297    HG3  PRO  47           HG1      PRO  47  17.788   9.208   0.693
  298    HD2  PRO  47           HD2      PRO  47  15.399   9.989   1.707
  299    HD3  PRO  47           HD1      PRO  47  15.675   9.767  -0.033
  300    H    PHE  48           HN       PHE  48  16.804   4.866   1.831
  301    HA   PHE  48           HA       PHE  48  15.097   4.168   4.018
  302    HB2  PHE  48           HB2      PHE  48  16.433   2.502   2.747
  303    HB3  PHE  48           HB1      PHE  48  17.901   3.207   3.415
  304    HD1  PHE  48           HD2      PHE  48  14.627   1.881   4.624
  305    HD2  PHE  48           HD1      PHE  48  18.832   2.154   5.221
  306    HE1  PHE  48           HE2      PHE  48  14.441   0.399   6.580
  307    HE2  PHE  48           HE1      PHE  48  18.653   0.673   7.178
  308    HZ   PHE  48           HZ       PHE  48  16.457  -0.207   7.860
  309    H    ARG  49           HN       ARG  49  15.906   3.955   6.263
  310    HA   ARG  49           HA       ARG  49  16.703   6.426   7.301
  311    HB2  ARG  49           HB2      ARG  49  16.602   3.657   8.475
  312    HB3  ARG  49           HB1      ARG  49  17.164   5.030   9.418
  313    HG2  ARG  49           HG2      ARG  49  15.011   5.196  10.009
  314    HG3  ARG  49           HG1      ARG  49  14.837   6.008   8.452
  315    HD2  ARG  49           HD2      ARG  49  14.602   3.422   7.698
  316    HD3  ARG  49           HD1      ARG  49  13.918   3.349   9.322
  317    HE   ARG  49           HE       ARG  49  12.771   4.613   7.008
  318   HH11  ARG  49          HH11      ARG  49  12.832   4.541  10.497
  319   HH12  ARG  49          HH12      ARG  49  11.252   5.229  10.663
  320   HH21  ARG  49          HH21      ARG  49  10.691   5.517   7.225
  321   HH22  ARG  49          HH22      ARG  49  10.036   5.782   8.806
  322    H    LEU  50           HN       LEU  50  18.606   7.298   6.710
  323    HA   LEU  50           HA       LEU  50  20.993   5.741   6.399
  324    HB2  LEU  50           HB2      LEU  50  20.686   8.741   6.545
  325    HB3  LEU  50           HB1      LEU  50  22.086   7.869   5.952
  326    HG   LEU  50           HG       LEU  50  20.149   6.871   4.326
  327   HD11  LEU  50          HD11      LEU  50  18.337   8.177   4.936
  328   HD12  LEU  50          HD12      LEU  50  18.988   9.043   3.545
  329   HD13  LEU  50          HD13      LEU  50  19.324   9.617   5.178
  330   HD21  LEU  50          HD21      LEU  50  22.006   7.539   3.206
  331   HD22  LEU  50          HD22      LEU  50  22.157   9.039   4.122
  332   HD23  LEU  50          HD23      LEU  50  20.971   8.914   2.821
  333    H    LEU  51           HN       LEU  51  21.376   4.762   8.392
  334    HA   LEU  51           HA       LEU  51  22.389   6.591  10.461
  335    HB2  LEU  51           HB2      LEU  51  20.759   4.087  10.890
  336    HB3  LEU  51           HB1      LEU  51  21.584   4.959  12.168
  337    HG   LEU  51           HG       LEU  51  19.722   6.556  10.517
  338   HD11  LEU  51          HD11      LEU  51  17.738   5.711  11.405
  339   HD12  LEU  51          HD12      LEU  51  18.582   4.747  12.618
  340   HD13  LEU  51          HD13      LEU  51  18.634   4.272  10.920
  341   HD21  LEU  51          HD21      LEU  51  20.656   6.399  13.340
  342   HD22  LEU  51          HD22      LEU  51  19.105   7.164  12.997
  343   HD23  LEU  51          HD23      LEU  51  20.579   7.784  12.252
  344    H    TRP  52           HN       TRP  52  23.562   4.994  12.197
  345    HA   TRP  52           HA       TRP  52  25.873   4.089  10.837
  346    HB2  TRP  52           HB2      TRP  52  24.972   3.845  13.704
  347    HB3  TRP  52           HB1      TRP  52  26.507   3.194  13.139
  348    HD1  TRP  52           HD1      TRP  52  24.924   6.341  14.355
  349    HE1  TRP  52           HE1      TRP  52  26.604   8.286  14.217
  350    HE3  TRP  52           HE3      TRP  52  28.539   4.092  11.524
  351    HZ2  TRP  52           HZ2      TRP  52  29.127   8.799  13.061
  352    HZ3  TRP  52           HZ3      TRP  52  30.554   5.379  10.946
  353    HH2  TRP  52           HH2      TRP  52  30.841   7.684  11.699
  354    HA   PRO  53           HA       PRO  53  24.136  -0.345  12.257
  355    HB2  PRO  53           HB2      PRO  53  21.295   0.322  11.643
  356    HB3  PRO  53           HB1      PRO  53  21.957  -0.763  12.871
  357    HG2  PRO  53           HG2      PRO  53  21.011   1.629  13.549
  358    HG3  PRO  53           HG1      PRO  53  22.468   0.974  14.322
  359    HD2  PRO  53           HD2      PRO  53  22.217   3.089  12.231
  360    HD3  PRO  53           HD1      PRO  53  23.366   2.958  13.576
  Start of MODEL    8
    1    H1   GLU   1           HT1      GLU   1 -18.517 -13.810   8.991
    2    H2   GLU   1           HT2      GLU   1 -17.478 -13.936   7.632
    3    H3   GLU   1           HT3      GLU   1 -17.417 -15.118   8.876
    4    HA   GLU   1           HA       GLU   1 -19.804 -15.567   8.347
    5    HB2  GLU   1           HB2      GLU   1 -18.936 -14.051   5.876
    6    HB3  GLU   1           HB1      GLU   1 -20.429 -14.967   6.026
    7    HG2  GLU   1           HG2      GLU   1 -21.461 -13.253   6.965
    8    HG3  GLU   1           HG1      GLU   1 -20.201 -13.096   8.188
    9    H    GLN   2           HN       GLN   2 -20.255 -17.279   6.691
   10    HA   GLN   2           HA       GLN   2 -17.767 -18.726   6.081
   11    HB2  GLN   2           HB2      GLN   2 -19.158 -20.769   6.111
   12    HB3  GLN   2           HB1      GLN   2 -19.193 -19.910   7.644
   13    HG2  GLN   2           HG2      GLN   2 -21.322 -19.358   5.641
   14    HG3  GLN   2           HG1      GLN   2 -21.383 -20.857   6.567
   15   HE21  GLN   2          HE21      GLN   2 -22.504 -17.815   6.483
   16   HE22  GLN   2          HE22      GLN   2 -22.786 -17.541   8.164
   17    H    ALA   3           HN       ALA   3 -20.750 -17.505   4.754
   18    HA   ALA   3           HA       ALA   3 -20.839 -18.882   2.333
   19    HB1  ALA   3           HB1      ALA   3 -21.912 -16.589   1.565
   20    HB2  ALA   3           HB2      ALA   3 -21.891 -16.279   3.301
   21    HB3  ALA   3           HB3      ALA   3 -22.749 -17.683   2.666
   22    HA   PRO   4           HA       PRO   4 -18.296 -15.287   0.278
   23    HB2  PRO   4           HB2      PRO   4 -16.902 -13.693   2.030
   24    HB3  PRO   4           HB1      PRO   4 -18.477 -13.278   1.345
   25    HG2  PRO   4           HG2      PRO   4 -17.821 -14.449   4.018
   26    HG3  PRO   4           HG1      PRO   4 -19.003 -13.193   3.603
   27    HD2  PRO   4           HD2      PRO   4 -19.746 -15.730   4.072
   28    HD3  PRO   4           HD1      PRO   4 -20.562 -14.732   2.851
   29    H    GLY   5           HN       GLY   5 -15.836 -14.794   0.195
   30    HA2  GLY   5           HA2      GLY   5 -14.489 -17.282   0.807
   31    HA3  GLY   5           HA1      GLY   5 -13.841 -15.946  -0.132
   32    H    THR   6           HN       THR   6 -12.024 -15.271   0.776
   33    HA   THR   6           HA       THR   6 -12.036 -14.700   3.656
   34    HB   THR   6           HB       THR   6 -10.872 -16.847   3.285
   35    HG1  THR   6           HG1      THR   6 -10.116 -15.568   4.962
   36   HG21  THR   6          HG21      THR   6  -8.725 -16.916   2.153
   37   HG22  THR   6          HG22      THR   6  -8.938 -15.245   1.629
   38   HG23  THR   6          HG23      THR   6 -10.023 -16.502   1.033
   39    H    ALA   7           HN       ALA   7  -9.360 -13.801   3.777
   40    HA   ALA   7           HA       ALA   7  -7.994 -12.034   3.305
   41    HB1  ALA   7           HB1      ALA   7  -7.699 -11.432   1.161
   42    HB2  ALA   7           HB2      ALA   7  -9.409 -11.077   0.917
   43    HB3  ALA   7           HB3      ALA   7  -8.831 -12.741   0.825
   44    HA   PRO   8           HA       PRO   8 -10.720  -8.993   5.161
   45    HB2  PRO   8           HB2      PRO   8  -8.839  -7.538   6.394
   46    HB3  PRO   8           HB1      PRO   8  -9.274  -9.155   6.963
   47    HG2  PRO   8           HG2      PRO   8  -6.932  -8.294   5.313
   48    HG3  PRO   8           HG1      PRO   8  -6.989  -9.444   6.660
   49    HD2  PRO   8           HD2      PRO   8  -6.983 -10.169   4.007
   50    HD3  PRO   8           HD1      PRO   8  -7.648 -11.169   5.312
   51    H    CYS   9           HN       CYS   9 -10.942  -8.397   2.724
   52    HA   CYS   9           HA       CYS   9  -9.964  -5.671   2.421
   53    HB2  CYS   9           HB2      CYS   9  -9.717  -7.923   0.480
   54    HB3  CYS   9           HB1      CYS   9  -9.963  -6.295  -0.140
   55    H    SER  10           HN       SER  10 -11.279  -4.311   1.066
   56    HA   SER  10           HA       SER  10 -13.805  -5.230   0.090
   57    HB2  SER  10           HB2      SER  10 -13.995  -3.276   2.374
   58    HB3  SER  10           HB1      SER  10 -15.280  -4.227   1.629
   59    HG   SER  10           HG       SER  10 -14.593  -5.061   3.669
   60    H    ARG  11           HN       ARG  11 -12.052  -2.365   1.265
   61    HA   ARG  11           HA       ARG  11 -11.889  -1.143  -1.251
   62    HB2  ARG  11           HB2      ARG  11 -14.450  -0.953  -0.311
   63    HB3  ARG  11           HB1      ARG  11 -13.747   0.545   0.284
   64    HG2  ARG  11           HG2      ARG  11 -14.314   1.355  -1.719
   65    HG3  ARG  11           HG1      ARG  11 -12.861   0.528  -2.283
   66    HD2  ARG  11           HD2      ARG  11 -14.110  -0.728  -3.621
   67    HD3  ARG  11           HD1      ARG  11 -14.948  -1.382  -2.215
   68    HE   ARG  11           HE       ARG  11 -16.152   1.028  -2.692
   69   HH11  ARG  11          HH11      ARG  11 -15.594  -1.873  -4.549
   70   HH12  ARG  11          HH12      ARG  11 -17.023  -1.684  -5.508
   71   HH21  ARG  11          HH21      ARG  11 -18.031   1.280  -3.953
   72   HH22  ARG  11          HH22      ARG  11 -18.406   0.106  -5.171
   73    H    GLY  12           HN       GLY  12  -9.903  -0.377  -0.843
   74    HA2  GLY  12           HA2      GLY  12  -8.838   1.709  -0.036
   75    HA3  GLY  12           HA1      GLY  12  -9.583   1.373   1.519
   76    H    SER  13           HN       SER  13  -8.027  -0.993  -0.579
   77    HA   SER  13           HA       SER  13  -5.706  -1.088   1.192
   78    HB2  SER  13           HB2      SER  13  -6.918  -2.743   2.290
   79    HB3  SER  13           HB1      SER  13  -7.700  -3.297   0.810
   80    HG   SER  13           HG       SER  13  -5.798  -4.284   0.198
   81    H    SER  14           HN       SER  14  -3.858  -2.010   0.259
   82    HA   SER  14           HA       SER  14  -3.836  -1.925  -2.616
   83    HB2  SER  14           HB2      SER  14  -1.327  -2.361  -2.228
   84    HB3  SER  14           HB1      SER  14  -1.988  -0.829  -1.657
   85    HG   SER  14           HG       SER  14  -0.826  -1.628   0.020
   86    H    TRP  15           HN       TRP  15  -2.698  -3.595  -3.880
   87    HA   TRP  15           HA       TRP  15  -3.410  -6.271  -2.899
   88    HB2  TRP  15           HB2      TRP  15  -4.581  -5.949  -4.893
   89    HB3  TRP  15           HB1      TRP  15  -3.270  -5.042  -5.634
   90    HD1  TRP  15           HD1      TRP  15  -1.757  -6.336  -7.261
   91    HE1  TRP  15           HE1      TRP  15  -1.472  -8.808  -7.917
   92    HE3  TRP  15           HE3      TRP  15  -4.775  -8.475  -3.730
   93    HZ2  TRP  15           HZ2      TRP  15  -2.401 -11.324  -7.052
   94    HZ3  TRP  15           HZ3      TRP  15  -5.025 -10.920  -3.716
   95    HH2  TRP  15           HH2      TRP  15  -3.861 -12.316  -5.346
   96    H    SER  16           HN       SER  16  -1.954  -8.062  -3.515
   97    HA   SER  16           HA       SER  16   0.818  -7.224  -3.862
   98    HB2  SER  16           HB2      SER  16  -0.021  -7.913  -1.430
   99    HB3  SER  16           HB1      SER  16   0.283  -9.531  -2.062
  100    HG   SER  16           HG       SER  16   2.209  -7.484  -2.303
  101    H    ALA  17           HN       ALA  17   2.135  -8.615  -5.008
  102    HA   ALA  17           HA       ALA  17   0.727 -10.810  -6.372
  103    HB1  ALA  17           HB1      ALA  17   2.874 -10.435  -7.931
  104    HB2  ALA  17           HB2      ALA  17   2.713  -8.812  -7.262
  105    HB3  ALA  17           HB3      ALA  17   1.367  -9.544  -8.135
  106    H    ASP  18           HN       ASP  18   3.377 -10.039  -4.305
  107    HA   ASP  18           HA       ASP  18   5.178 -12.076  -4.768
  108    HB2  ASP  18           HB2      ASP  18   5.625 -11.926  -2.253
  109    HB3  ASP  18           HB1      ASP  18   5.791 -10.439  -3.181
  110    H    LEU  19           HN       LEU  19   2.095 -12.196  -3.095
  111    HA   LEU  19           HA       LEU  19   2.153 -15.100  -3.245
  112    HB2  LEU  19           HB2      LEU  19   1.160 -15.002  -0.792
  113    HB3  LEU  19           HB1      LEU  19   2.879 -15.158  -1.093
  114    HG   LEU  19           HG       LEU  19   2.958 -12.594  -0.891
  115   HD11  LEU  19          HD11      LEU  19   0.552 -12.839   0.824
  116   HD12  LEU  19          HD12      LEU  19   0.309 -12.670  -0.914
  117   HD13  LEU  19          HD13      LEU  19   1.203 -11.436  -0.025
  118   HD21  LEU  19          HD21      LEU  19   2.623 -12.950   1.740
  119   HD22  LEU  19          HD22      LEU  19   4.029 -13.547   0.858
  120   HD23  LEU  19          HD23      LEU  19   2.692 -14.636   1.227
  121    H    ASP  20           HN       ASP  20   0.658 -12.757  -4.397
  122    HA   ASP  20           HA       ASP  20  -1.478 -12.103  -4.878
  123    HB2  ASP  20           HB2      ASP  20  -1.393 -15.046  -4.888
  124    HB3  ASP  20           HB1      ASP  20  -3.013 -14.365  -4.772
  125    H    LYS  21           HN       LYS  21  -1.697 -10.865  -2.933
  126    HA   LYS  21           HA       LYS  21  -4.055 -11.461  -1.506
  127    HB2  LYS  21           HB2      LYS  21  -1.595 -12.466  -0.368
  128    HB3  LYS  21           HB1      LYS  21  -2.332 -11.280   0.701
  129    HG2  LYS  21           HG2      LYS  21  -3.842 -13.609  -0.451
  130    HG3  LYS  21           HG1      LYS  21  -2.988 -13.672   1.093
  131    HD2  LYS  21           HD2      LYS  21  -4.520 -11.336   1.193
  132    HD3  LYS  21           HD1      LYS  21  -5.574 -12.551   0.465
  133    HE2  LYS  21           HE2      LYS  21  -5.831 -12.562   2.874
  134    HE3  LYS  21           HE1      LYS  21  -5.088 -14.069   2.336
  135    HZ1  LYS  21           HZ1      LYS  21  -3.711 -13.558   4.045
  136    HZ2  LYS  21           HZ2      LYS  21  -3.945 -11.888   3.908
  137    HZ3  LYS  21           HZ3      LYS  21  -2.912 -12.687   2.832
  138    H    CYS  22           HN       CYS  22  -4.941  -9.580  -0.972
  139    HA   CYS  22           HA       CYS  22  -3.400  -7.161  -1.232
  140    HB2  CYS  22           HB2      CYS  22  -5.594  -6.040  -0.779
  141    HB3  CYS  22           HB1      CYS  22  -5.622  -7.149  -2.146
  142    H    MET  23           HN       MET  23  -3.620  -5.406   0.413
  143    HA   MET  23           HA       MET  23  -4.120  -6.137   3.126
  144    HB2  MET  23           HB2      MET  23  -1.535  -6.654   2.128
  145    HB3  MET  23           HB1      MET  23  -1.393  -5.221   3.135
  146    HG2  MET  23           HG2      MET  23  -2.976  -7.392   4.306
  147    HG3  MET  23           HG1      MET  23  -1.275  -7.770   4.038
  148    HE1  MET  23           HE1      MET  23  -0.846  -7.405   7.499
  149    HE2  MET  23           HE2      MET  23   0.518  -6.859   6.525
  150    HE3  MET  23           HE3      MET  23  -0.505  -8.176   5.951
  151    H    ASP  24           HN       ASP  24  -4.645  -4.389   4.292
  152    HA   ASP  24           HA       ASP  24  -4.944  -1.883   3.071
  153    HB2  ASP  24           HB2      ASP  24  -6.299  -2.691   4.991
  154    HB3  ASP  24           HB1      ASP  24  -4.896  -2.487   6.035
  155    H    CYS  25           HN       CYS  25  -3.935   0.129   3.533
  156    HA   CYS  25           HA       CYS  25  -1.108   0.008   3.581
  157    HB2  CYS  25           HB2      CYS  25  -2.994   1.876   2.815
  158    HB3  CYS  25           HB1      CYS  25  -2.238   2.629   4.214
  159    H    ALA  26           HN       ALA  26  -3.460   0.196   6.074
  160    HA   ALA  26           HA       ALA  26  -2.181   1.596   8.083
  161    HB1  ALA  26           HB1      ALA  26  -3.937  -0.844   8.293
  162    HB2  ALA  26           HB2      ALA  26  -4.443   0.845   8.350
  163    HB3  ALA  26           HB3      ALA  26  -3.470   0.172   9.658
  164    H    SER  27           HN       SER  27  -1.391  -1.509   6.760
  165    HA   SER  27           HA       SER  27   0.015  -2.655   8.881
  166    HB2  SER  27           HB2      SER  27  -0.403  -4.051   7.027
  167    HB3  SER  27           HB1      SER  27   0.292  -2.895   5.891
  168    HG   SER  27           HG       SER  27   1.826  -4.136   7.917
  169    H    CYS  28           HN       CYS  28   1.177  -0.504   6.301
  170    HA   CYS  28           HA       CYS  28   3.792  -0.344   7.509
  171    HB2  CYS  28           HB2      CYS  28   2.797   1.273   5.171
  172    HB3  CYS  28           HB1      CYS  28   4.461   0.872   5.580
  173    H    ARG  29           HN       ARG  29   2.157   0.538   9.387
  174    HA   ARG  29           HA       ARG  29   1.414   3.242   9.323
  175    HB2  ARG  29           HB2      ARG  29   1.381   3.073  11.804
  176    HB3  ARG  29           HB1      ARG  29   0.513   1.770  11.004
  177    HG2  ARG  29           HG2      ARG  29   1.649   0.496  12.466
  178    HG3  ARG  29           HG1      ARG  29   2.925   0.620  11.252
  179    HD2  ARG  29           HD2      ARG  29   3.910   2.491  12.455
  180    HD3  ARG  29           HD1      ARG  29   2.610   2.430  13.645
  181    HE   ARG  29           HE       ARG  29   3.661  -0.057  13.758
  182   HH11  ARG  29          HH11      ARG  29   5.069   3.131  13.955
  183   HH12  ARG  29          HH12      ARG  29   6.363   2.630  14.992
  184   HH21  ARG  29          HH21      ARG  29   5.361  -0.716  15.123
  185   HH22  ARG  29          HH22      ARG  29   6.528   0.448  15.655
  186    H    ALA  30           HN       ALA  30   4.475   1.695   9.900
  187    HA   ALA  30           HA       ALA  30   5.662   4.311  10.557
  188    HB1  ALA  30           HB1      ALA  30   7.234   1.855  11.034
  189    HB2  ALA  30           HB2      ALA  30   5.831   2.110  12.072
  190    HB3  ALA  30           HB3      ALA  30   7.103   3.328  11.997
  191    H    ARG  31           HN       ARG  31   6.468   1.249   8.905
  192    HA   ARG  31           HA       ARG  31   7.596   2.774   6.694
  193    HB2  ARG  31           HB2      ARG  31   9.169   1.024   8.535
  194    HB3  ARG  31           HB1      ARG  31   9.595   1.052   6.830
  195    HG2  ARG  31           HG2      ARG  31  10.872   2.801   7.329
  196    HG3  ARG  31           HG1      ARG  31   9.370   3.721   7.450
  197    HD2  ARG  31           HD2      ARG  31   9.254   3.197   9.843
  198    HD3  ARG  31           HD1      ARG  31  10.763   2.295   9.715
  199    HE   ARG  31           HE       ARG  31  11.921   4.279   9.679
  200   HH11  ARG  31          HH11      ARG  31   8.517   4.924   9.248
  201   HH12  ARG  31          HH12      ARG  31   8.691   6.636   9.435
  202   HH21  ARG  31          HH21      ARG  31  12.150   6.531   9.923
  203   HH22  ARG  31          HH22      ARG  31  10.752   7.549   9.817
  204    HA   PRO  32           HA       PRO  32   5.979  -0.453   4.183
  205    HB2  PRO  32           HB2      PRO  32   7.895  -0.777   2.273
  206    HB3  PRO  32           HB1      PRO  32   6.796   0.606   2.322
  207    HG2  PRO  32           HG2      PRO  32   9.625   0.398   3.276
  208    HG3  PRO  32           HG1      PRO  32   8.840   1.713   2.381
  209    HD2  PRO  32           HD2      PRO  32   9.262   1.839   5.042
  210    HD3  PRO  32           HD1      PRO  32   7.841   2.577   4.275
  211    H    HIS  33           HN       HIS  33   6.219  -2.662   3.502
  212    HA   HIS  33           HA       HIS  33   8.482  -4.244   3.986
  213    HB2  HIS  33           HB2      HIS  33   7.530  -3.534   6.374
  214    HB3  HIS  33           HB1      HIS  33   6.457  -4.895   6.073
  215    HD1  HIS  33           HD1      HIS  33   7.850  -7.193   5.378
  216    HD2  HIS  33           HD2      HIS  33   9.869  -4.260   7.518
  217    HE1  HIS  33           HE1      HIS  33   9.841  -8.350   6.389
  218    HE2  HIS  33           HE2      HIS  33  11.000  -6.575   7.751
  219    H    SER  34           HN       SER  34   6.560  -3.976   1.969
  220    HA   SER  34           HA       SER  34   5.961  -6.651   1.402
  221    HB2  SER  34           HB2      SER  34   3.987  -5.319   3.026
  222    HB3  SER  34           HB1      SER  34   3.297  -5.719   1.452
  223    HG   SER  34           HG       SER  34   4.020  -7.361   3.516
  224    H    ASP  35           HN       ASP  35   5.118  -6.932  -0.685
  225    HA   ASP  35           HA       ASP  35   5.796  -5.001  -2.565
  226    HB2  ASP  35           HB2      ASP  35   4.345  -7.574  -2.601
  227    HB3  ASP  35           HB1      ASP  35   4.004  -6.495  -3.951
  228    H    PHE  36           HN       PHE  36   2.589  -5.845  -1.284
  229    HA   PHE  36           HA       PHE  36   1.080  -4.094  -2.841
  230    HB2  PHE  36           HB2      PHE  36  -0.638  -4.279  -1.090
  231    HB3  PHE  36           HB1      PHE  36   0.063  -5.847  -1.472
  232    HD1  PHE  36           HD1      PHE  36   0.428  -3.021   0.928
  233    HD2  PHE  36           HD2      PHE  36   0.781  -7.207   0.245
  234    HE1  PHE  36           HE1      PHE  36   0.942  -3.363   3.309
  235    HE2  PHE  36           HE2      PHE  36   1.294  -7.556   2.626
  236    HZ   PHE  36           HZ       PHE  36   1.375  -5.633   4.161
  237    H    CYS  37           HN       CYS  37   3.063  -3.493  -0.044
  238    HA   CYS  37           HA       CYS  37   1.972  -0.935   0.585
  239    HB2  CYS  37           HB2      CYS  37   3.354  -2.449   2.113
  240    HB3  CYS  37           HB1      CYS  37   4.766  -1.856   1.245
  241    H    LEU  38           HN       LEU  38   4.520  -2.086  -1.529
  242    HA   LEU  38           HA       LEU  38   5.827   0.337  -2.028
  243    HB2  LEU  38           HB2      LEU  38   5.569  -2.263  -3.429
  244    HB3  LEU  38           HB1      LEU  38   6.129  -0.905  -4.387
  245    HG   LEU  38           HG       LEU  38   8.039  -2.101  -3.566
  246   HD11  LEU  38          HD11      LEU  38   9.257  -0.326  -2.754
  247   HD12  LEU  38          HD12      LEU  38   7.943   0.249  -1.730
  248   HD13  LEU  38          HD13      LEU  38   7.875   0.498  -3.474
  249   HD21  LEU  38          HD21      LEU  38   6.493  -2.117  -1.056
  250   HD22  LEU  38          HD22      LEU  38   8.235  -1.900  -0.891
  251   HD23  LEU  38          HD23      LEU  38   7.597  -3.320  -1.721
  252    H    GLY  39           HN       GLY  39   2.820  -0.954  -3.243
  253    HA2  GLY  39           HA2      GLY  39   2.606   1.056  -5.328
  254    HA3  GLY  39           HA1      GLY  39   1.418  -0.180  -4.943
  255    H    CYS  40           HN       CYS  40   1.416   0.528  -2.083
  256    HA   CYS  40           HA       CYS  40  -0.524   2.665  -2.259
  257    HB2  CYS  40           HB2      CYS  40  -0.903   0.644  -0.853
  258    HB3  CYS  40           HB1      CYS  40   0.432   1.150   0.178
  259    H    ALA  41           HN       ALA  41   2.489   2.087  -0.447
  260    HA   ALA  41           HA       ALA  41   2.658   4.611   0.749
  261    HB1  ALA  41           HB1      ALA  41   4.780   2.601   0.033
  262    HB2  ALA  41           HB2      ALA  41   4.020   2.871   1.602
  263    HB3  ALA  41           HB3      ALA  41   5.117   4.079   0.934
  264    H    ALA  42           HN       ALA  42   2.582   6.463  -0.356
  265    HA   ALA  42           HA       ALA  42   3.905   6.676  -2.948
  266    HB1  ALA  42           HB1      ALA  42   2.768   8.880  -3.069
  267    HB2  ALA  42           HB2      ALA  42   2.059   8.557  -1.488
  268    HB3  ALA  42           HB3      ALA  42   1.661   7.524  -2.861
  269    H    ALA  43           HN       ALA  43   6.074   6.602  -2.134
  270    HA   ALA  43           HA       ALA  43   8.052   7.534  -1.505
  271    HB1  ALA  43           HB1      ALA  43   6.652  10.189  -1.734
  272    HB2  ALA  43           HB2      ALA  43   7.246   9.275  -3.120
  273    HB3  ALA  43           HB3      ALA  43   8.376   9.859  -1.899
  274    HA   PRO  44           HA       PRO  44   6.768   7.684   2.906
  275    HB2  PRO  44           HB2      PRO  44   9.580   6.773   3.162
  276    HB3  PRO  44           HB1      PRO  44   8.112   6.115   3.888
  277    HG2  PRO  44           HG2      PRO  44   9.329   4.863   1.866
  278    HG3  PRO  44           HG1      PRO  44   7.561   4.896   2.000
  279    HD2  PRO  44           HD2      PRO  44   9.358   6.472   0.207
  280    HD3  PRO  44           HD1      PRO  44   7.760   5.775  -0.125
  281    HA   PRO  45           HA       PRO  45  10.377  10.706   3.749
  282    HB2  PRO  45           HB2      PRO  45  12.315  11.088   1.943
  283    HB3  PRO  45           HB1      PRO  45  12.336   9.696   3.034
  284    HG2  PRO  45           HG2      PRO  45  11.517   9.840   0.162
  285    HG3  PRO  45           HG1      PRO  45  12.454   8.590   0.999
  286    HD2  PRO  45           HD2      PRO  45   9.762   8.411   0.432
  287    HD3  PRO  45           HD1      PRO  45  10.579   7.511   1.723
  288    H    ALA  46           HN       ALA  46  11.430  12.820   2.556
  289    HA   ALA  46           HA       ALA  46   9.221  14.344   1.712
  290    HB1  ALA  46           HB1      ALA  46  11.268  15.888   0.929
  291    HB2  ALA  46           HB2      ALA  46  12.124  14.792   2.015
  292    HB3  ALA  46           HB3      ALA  46  10.759  15.737   2.610
  293    HA   PRO  47           HA       PRO  47   9.405  12.915  -2.575
  294    HB2  PRO  47           HB2      PRO  47   7.034  13.949  -3.342
  295    HB3  PRO  47           HB1      PRO  47   7.150  12.472  -2.378
  296    HG2  PRO  47           HG2      PRO  47   6.561  15.271  -1.493
  297    HG3  PRO  47           HG1      PRO  47   5.782  13.756  -1.002
  298    HD2  PRO  47           HD2      PRO  47   7.677  15.005   0.499
  299    HD3  PRO  47           HD1      PRO  47   7.441  13.245   0.505
  300    H    PHE  48           HN       PHE  48   9.455  13.959  -4.668
  301    HA   PHE  48           HA       PHE  48  10.326  16.752  -4.466
  302    HB2  PHE  48           HB2      PHE  48  11.382  14.499  -5.807
  303    HB3  PHE  48           HB1      PHE  48  10.809  15.599  -7.057
  304    HD1  PHE  48           HD2      PHE  48  11.400  18.198  -6.325
  305    HD2  PHE  48           HD1      PHE  48  13.614  14.691  -5.366
  306    HE1  PHE  48           HE2      PHE  48  13.433  19.558  -6.060
  307    HE2  PHE  48           HE1      PHE  48  15.650  16.045  -5.098
  308    HZ   PHE  48           HZ       PHE  48  15.562  18.482  -5.445
  309    H    ARG  49           HN       ARG  49   9.367  18.372  -5.588
  310    HA   ARG  49           HA       ARG  49   6.893  17.684  -7.012
  311    HB2  ARG  49           HB2      ARG  49   7.744  19.976  -5.332
  312    HB3  ARG  49           HB1      ARG  49   6.678  20.341  -6.682
  313    HG2  ARG  49           HG2      ARG  49   5.206  19.989  -4.937
  314    HG3  ARG  49           HG1      ARG  49   5.219  18.428  -5.759
  315    HD2  ARG  49           HD2      ARG  49   6.238  17.380  -4.035
  316    HD3  ARG  49           HD1      ARG  49   7.237  18.779  -3.640
  317    HE   ARG  49           HE       ARG  49   4.465  19.147  -2.996
  318   HH11  ARG  49          HH11      ARG  49   7.496  17.833  -1.868
  319   HH12  ARG  49          HH12      ARG  49   7.062  17.937  -0.195
  320   HH21  ARG  49          HH21      ARG  49   3.894  19.286  -0.795
  321   HH22  ARG  49          HH22      ARG  49   5.017  18.763   0.414
  322    H    LEU  50           HN       LEU  50  10.006  19.159  -7.384
  323    HA   LEU  50           HA       LEU  50  11.130  19.930  -9.204
  324    HB2  LEU  50           HB2      LEU  50   9.211  18.052 -10.239
  325    HB3  LEU  50           HB1      LEU  50   9.435  19.359 -11.385
  326    HG   LEU  50           HG       LEU  50  11.872  18.091 -10.242
  327   HD11  LEU  50          HD11      LEU  50  11.769  16.155 -11.455
  328   HD12  LEU  50          HD12      LEU  50  10.623  16.817 -12.622
  329   HD13  LEU  50          HD13      LEU  50  10.071  16.340 -11.016
  330   HD21  LEU  50          HD21      LEU  50  12.501  18.413 -12.722
  331   HD22  LEU  50          HD22      LEU  50  12.354  19.839 -11.694
  332   HD23  LEU  50          HD23      LEU  50  11.049  19.411 -12.801
  333    H    LEU  51           HN       LEU  51   9.142  21.568  -7.829
  334    HA   LEU  51           HA       LEU  51   8.346  23.377 -10.011
  335    HB2  LEU  51           HB2      LEU  51   6.952  22.413  -7.709
  336    HB3  LEU  51           HB1      LEU  51   7.141  24.149  -7.558
  337    HG   LEU  51           HG       LEU  51   6.097  24.433  -9.785
  338   HD11  LEU  51          HD11      LEU  51   6.709  22.247 -10.713
  339   HD12  LEU  51          HD12      LEU  51   4.978  22.559 -10.845
  340   HD13  LEU  51          HD13      LEU  51   5.586  21.469  -9.599
  341   HD21  LEU  51          HD21      LEU  51   4.474  24.791  -8.249
  342   HD22  LEU  51          HD22      LEU  51   4.740  23.243  -7.446
  343   HD23  LEU  51          HD23      LEU  51   3.817  23.310  -8.947
  344    H    TRP  52           HN       TRP  52   7.942  25.682  -8.545
  345    HA   TRP  52           HA       TRP  52   9.007  27.527  -7.749
  346    HB2  TRP  52           HB2      TRP  52  11.052  25.689  -6.507
  347    HB3  TRP  52           HB1      TRP  52  10.564  27.292  -5.968
  348    HD1  TRP  52           HD1      TRP  52  10.279  24.031  -4.724
  349    HE1  TRP  52           HE1      TRP  52   8.106  23.615  -3.410
  350    HE3  TRP  52           HE3      TRP  52   7.549  28.022  -6.385
  351    HZ2  TRP  52           HZ2      TRP  52   5.570  24.820  -3.114
  352    HZ3  TRP  52           HZ3      TRP  52   5.258  28.318  -5.537
  353    HH2  TRP  52           HH2      TRP  52   4.291  26.749  -3.936
  354    HA   PRO  53           HA       PRO  53  12.022  27.371 -11.218
  355    HB2  PRO  53           HB2      PRO  53  11.358  29.809 -12.213
  356    HB3  PRO  53           HB1      PRO  53  10.470  28.333 -12.612
  357    HG2  PRO  53           HG2      PRO  53   9.806  30.463 -10.614
  358    HG3  PRO  53           HG1      PRO  53   8.739  29.637 -11.765
  359    HD2  PRO  53           HD2      PRO  53   8.859  28.957  -9.148
  360    HD3  PRO  53           HD1      PRO  53   8.532  27.770 -10.427
  Start of MODEL    9
    1    H1   GLU   1           HT1      GLU   1 -14.513 -18.279 -13.309
    2    H2   GLU   1           HT2      GLU   1 -13.223 -19.060 -12.491
    3    H3   GLU   1           HT3      GLU   1 -13.989 -19.829 -13.821
    4    HA   GLU   1           HA       GLU   1 -11.787 -18.807 -14.252
    5    HB2  GLU   1           HB2      GLU   1 -13.953 -19.244 -15.799
    6    HB3  GLU   1           HB1      GLU   1 -13.781 -17.509 -16.022
    7    HG2  GLU   1           HG2      GLU   1 -12.263 -17.913 -17.573
    8    HG3  GLU   1           HG1      GLU   1 -11.209 -18.556 -16.315
    9    H    GLN   2           HN       GLN   2 -11.090 -16.660 -15.378
   10    HA   GLN   2           HA       GLN   2 -12.221 -14.231 -14.421
   11    HB2  GLN   2           HB2      GLN   2 -10.624 -15.523 -12.561
   12    HB3  GLN   2           HB1      GLN   2  -9.534 -14.351 -13.292
   13    HG2  GLN   2           HG2      GLN   2 -11.504 -12.693 -12.879
   14    HG3  GLN   2           HG1      GLN   2 -12.011 -13.901 -11.700
   15   HE21  GLN   2          HE21      GLN   2  -9.082 -12.173 -12.717
   16   HE22  GLN   2          HE22      GLN   2  -8.486 -11.895 -11.120
   17    H    ALA   3           HN       ALA   3 -10.424 -12.400 -14.702
   18    HA   ALA   3           HA       ALA   3  -8.337 -12.749 -16.524
   19    HB1  ALA   3           HB1      ALA   3 -10.987 -12.614 -17.736
   20    HB2  ALA   3           HB2      ALA   3  -9.448 -13.123 -18.429
   21    HB3  ALA   3           HB3      ALA   3  -9.865 -11.410 -18.369
   22    HA   PRO   4           HA       PRO   4  -9.725  -7.994 -16.389
   23    HB2  PRO   4           HB2      PRO   4 -11.602  -8.322 -14.095
   24    HB3  PRO   4           HB1      PRO   4 -11.677  -7.200 -15.458
   25    HG2  PRO   4           HG2      PRO   4 -13.256  -9.340 -15.380
   26    HG3  PRO   4           HG1      PRO   4 -12.523  -8.806 -16.904
   27    HD2  PRO   4           HD2      PRO   4 -11.792 -11.103 -15.150
   28    HD3  PRO   4           HD1      PRO   4 -11.733 -10.966 -16.918
   29    H    GLY   5           HN       GLY   5  -9.896  -9.886 -13.371
   30    HA2  GLY   5           HA2      GLY   5  -8.264 -10.001 -11.701
   31    HA3  GLY   5           HA1      GLY   5  -7.400  -8.687 -12.485
   32    H    THR   6           HN       THR   6  -7.334  -8.294  -9.986
   33    HA   THR   6           HA       THR   6  -7.836  -6.868  -8.289
   34    HB   THR   6           HB       THR   6  -9.690  -5.544 -10.278
   35    HG1  THR   6           HG1      THR   6  -6.933  -5.126  -9.771
   36   HG21  THR   6          HG21      THR   6  -9.413  -4.960  -7.625
   37   HG22  THR   6          HG22      THR   6  -9.941  -3.836  -8.877
   38   HG23  THR   6          HG23      THR   6  -8.249  -3.872  -8.382
   39    H    ALA   7           HN       ALA   7  -9.188  -6.900  -6.559
   40    HA   ALA   7           HA       ALA   7 -11.922  -7.900  -6.968
   41    HB1  ALA   7           HB1      ALA   7 -11.400  -9.095  -4.653
   42    HB2  ALA   7           HB2      ALA   7  -9.765  -9.082  -5.312
   43    HB3  ALA   7           HB3      ALA   7 -11.070  -9.865  -6.203
   44    HA   PRO   8           HA       PRO   8 -12.953  -4.622  -4.179
   45    HB2  PRO   8           HB2      PRO   8 -15.460  -5.307  -3.527
   46    HB3  PRO   8           HB1      PRO   8 -15.036  -4.809  -5.170
   47    HG2  PRO   8           HG2      PRO   8 -15.449  -7.561  -4.069
   48    HG3  PRO   8           HG1      PRO   8 -15.982  -6.883  -5.618
   49    HD2  PRO   8           HD2      PRO   8 -13.753  -8.466  -5.305
   50    HD3  PRO   8           HD1      PRO   8 -13.972  -7.300  -6.625
   51    H    CYS   9           HN       CYS   9 -11.263  -6.323  -2.862
   52    HA   CYS   9           HA       CYS   9 -12.510  -7.390  -0.510
   53    HB2  CYS   9           HB2      CYS   9 -10.165  -7.866   0.199
   54    HB3  CYS   9           HB1      CYS   9 -10.581  -8.546  -1.371
   55    H    SER  10           HN       SER  10 -13.521  -5.465   0.293
   56    HA   SER  10           HA       SER  10 -13.680  -3.711   1.732
   57    HB2  SER  10           HB2      SER  10 -12.008  -5.242   3.000
   58    HB3  SER  10           HB1      SER  10 -10.792  -4.070   2.491
   59    HG   SER  10           HG       SER  10 -13.162  -3.425   3.914
   60    H    ARG  11           HN       ARG  11 -13.671  -1.594   1.310
   61    HA   ARG  11           HA       ARG  11 -12.159  -0.549  -0.843
   62    HB2  ARG  11           HB2      ARG  11 -14.419   0.223   0.602
   63    HB3  ARG  11           HB1      ARG  11 -13.244   1.495   0.908
   64    HG2  ARG  11           HG2      ARG  11 -13.097   2.071  -1.345
   65    HG3  ARG  11           HG1      ARG  11 -13.803   0.543  -1.875
   66    HD2  ARG  11           HD2      ARG  11 -15.740   1.633  -2.025
   67    HD3  ARG  11           HD1      ARG  11 -15.759   1.644  -0.262
   68    HE   ARG  11           HE       ARG  11 -15.237   3.873  -2.013
   69   HH11  ARG  11          HH11      ARG  11 -14.850   2.589   1.211
   70   HH12  ARG  11          HH12      ARG  11 -14.648   4.146   1.940
   71   HH21  ARG  11          HH21      ARG  11 -14.972   5.920  -1.054
   72   HH22  ARG  11          HH22      ARG  11 -14.718   6.036   0.656
   73    H    GLY  12           HN       GLY  12 -10.240   0.447  -0.898
   74    HA2  GLY  12           HA2      GLY  12  -8.488   1.792  -0.104
   75    HA3  GLY  12           HA1      GLY  12  -9.143   1.647   1.520
   76    H    SER  13           HN       SER  13  -7.900  -0.582  -0.974
   77    HA   SER  13           HA       SER  13  -5.850  -1.502   0.861
   78    HB2  SER  13           HB2      SER  13  -7.699  -2.945   1.488
   79    HB3  SER  13           HB1      SER  13  -7.991  -3.359  -0.201
   80    HG   SER  13           HG       SER  13  -5.915  -4.334  -0.229
   81    H    SER  14           HN       SER  14  -4.061  -2.251  -0.169
   82    HA   SER  14           HA       SER  14  -4.045  -2.010  -3.053
   83    HB2  SER  14           HB2      SER  14  -1.717  -1.729  -2.917
   84    HB3  SER  14           HB1      SER  14  -2.321  -0.931  -1.464
   85    HG   SER  14           HG       SER  14  -1.134  -3.492  -1.686
   86    H    TRP  15           HN       TRP  15  -2.301  -3.592  -4.082
   87    HA   TRP  15           HA       TRP  15  -3.171  -6.312  -3.372
   88    HB2  TRP  15           HB2      TRP  15  -3.885  -5.978  -5.563
   89    HB3  TRP  15           HB1      TRP  15  -2.489  -4.991  -5.976
   90    HD1  TRP  15           HD1      TRP  15  -0.500  -6.175  -7.136
   91    HE1  TRP  15           HE1      TRP  15   0.006  -8.602  -7.825
   92    HE3  TRP  15           HE3      TRP  15  -4.340  -8.528  -4.714
   93    HZ2  TRP  15           HZ2      TRP  15  -1.079 -11.168  -7.396
   94    HZ3  TRP  15           HZ3      TRP  15  -4.536 -10.971  -4.909
   95    HH2  TRP  15           HH2      TRP  15  -2.937 -12.264  -6.223
   96    H    SER  16           HN       SER  16  -1.563  -8.047  -3.739
   97    HA   SER  16           HA       SER  16   1.207  -7.206  -3.626
   98    HB2  SER  16           HB2      SER  16   1.182  -9.147  -1.672
   99    HB3  SER  16           HB1      SER  16   1.251  -7.410  -1.381
  100    HG   SER  16           HG       SER  16  -0.690  -9.131  -0.750
  101    H    ALA  17           HN       ALA  17   2.665  -8.725  -4.370
  102    HA   ALA  17           HA       ALA  17   1.452 -11.055  -5.678
  103    HB1  ALA  17           HB1      ALA  17   3.948  -9.481  -6.228
  104    HB2  ALA  17           HB2      ALA  17   2.555  -9.749  -7.277
  105    HB3  ALA  17           HB3      ALA  17   3.672 -11.071  -6.941
  106    H    ASP  18           HN       ASP  18   3.529 -10.182  -3.101
  107    HA   ASP  18           HA       ASP  18   5.299 -12.299  -2.928
  108    HB2  ASP  18           HB2      ASP  18   3.922 -10.672  -0.799
  109    HB3  ASP  18           HB1      ASP  18   5.105 -11.914  -0.398
  110    H    LEU  19           HN       LEU  19   1.880 -12.209  -2.208
  111    HA   LEU  19           HA       LEU  19   1.872 -15.106  -1.979
  112    HB2  LEU  19           HB2      LEU  19   0.206 -14.692   0.046
  113    HB3  LEU  19           HB1      LEU  19   1.930 -14.910   0.281
  114    HG   LEU  19           HG       LEU  19   2.156 -12.403   0.294
  115   HD11  LEU  19          HD11      LEU  19  -0.760 -12.657  -0.095
  116   HD12  LEU  19          HD12      LEU  19   0.352 -11.396  -0.624
  117   HD13  LEU  19          HD13      LEU  19  -0.216 -11.426   1.045
  118   HD21  LEU  19          HD21      LEU  19   2.043 -13.861   2.332
  119   HD22  LEU  19          HD22      LEU  19   0.327 -13.470   2.434
  120   HD23  LEU  19          HD23      LEU  19   1.532 -12.191   2.580
  121    H    ASP  20           HN       ASP  20   0.855 -12.908  -3.774
  122    HA   ASP  20           HA       ASP  20  -1.028 -12.310  -4.921
  123    HB2  ASP  20           HB2      ASP  20  -0.842 -15.188  -4.765
  124    HB3  ASP  20           HB1      ASP  20  -2.526 -14.690  -4.899
  125    H    LYS  21           HN       LYS  21  -1.827 -10.884  -3.298
  126    HA   LYS  21           HA       LYS  21  -4.509 -11.340  -2.603
  127    HB2  LYS  21           HB2      LYS  21  -2.629 -12.386  -0.732
  128    HB3  LYS  21           HB1      LYS  21  -3.408 -10.994   0.006
  129    HG2  LYS  21           HG2      LYS  21  -5.090 -13.045  -1.348
  130    HG3  LYS  21           HG1      LYS  21  -4.425 -13.387   0.251
  131    HD2  LYS  21           HD2      LYS  21  -5.381 -11.041   0.851
  132    HD3  LYS  21           HD1      LYS  21  -6.384 -11.285  -0.580
  133    HE2  LYS  21           HE2      LYS  21  -6.957 -13.562   0.470
  134    HE3  LYS  21           HE1      LYS  21  -6.302 -12.881   1.958
  135    HZ1  LYS  21           HZ1      LYS  21  -8.860 -12.606   1.045
  136    HZ2  LYS  21           HZ2      LYS  21  -8.152 -11.113   0.684
  137    HZ3  LYS  21           HZ3      LYS  21  -8.138 -11.693   2.273
  138    H    CYS  22           HN       CYS  22  -5.234  -9.577  -0.921
  139    HA   CYS  22           HA       CYS  22  -3.799  -7.106  -1.634
  140    HB2  CYS  22           HB2      CYS  22  -5.957  -5.946  -1.378
  141    HB3  CYS  22           HB1      CYS  22  -6.043  -7.214  -2.595
  142    H    MET  23           HN       MET  23  -3.377  -5.581  -0.059
  143    HA   MET  23           HA       MET  23  -4.047  -6.293   2.687
  144    HB2  MET  23           HB2      MET  23  -1.561  -6.665   1.736
  145    HB3  MET  23           HB1      MET  23  -1.434  -4.982   2.227
  146    HG2  MET  23           HG2      MET  23  -0.897  -5.803   4.223
  147    HG3  MET  23           HG1      MET  23  -2.626  -6.099   4.402
  148    HE1  MET  23           HE1      MET  23  -0.871  -9.139   6.049
  149    HE2  MET  23           HE2      MET  23  -1.074  -7.395   6.220
  150    HE3  MET  23           HE3      MET  23   0.401  -8.045   5.503
  151    H    ASP  24           HN       ASP  24  -4.937  -4.693   3.818
  152    HA   ASP  24           HA       ASP  24  -5.573  -2.222   2.667
  153    HB2  ASP  24           HB2      ASP  24  -6.325  -1.575   4.932
  154    HB3  ASP  24           HB1      ASP  24  -6.900  -3.176   4.473
  155    H    CYS  25           HN       CYS  25  -4.878  -0.104   3.164
  156    HA   CYS  25           HA       CYS  25  -2.109   0.271   3.194
  157    HB2  CYS  25           HB2      CYS  25  -4.497   1.987   3.297
  158    HB3  CYS  25           HB1      CYS  25  -3.063   2.694   4.033
  159    H    ALA  26           HN       ALA  26  -4.424   0.083   5.793
  160    HA   ALA  26           HA       ALA  26  -2.686   1.177   7.795
  161    HB1  ALA  26           HB1      ALA  26  -4.395   0.480   9.379
  162    HB2  ALA  26           HB2      ALA  26  -5.198  -0.460   8.121
  163    HB3  ALA  26           HB3      ALA  26  -5.125   1.298   7.998
  164    H    SER  27           HN       SER  27  -0.903  -0.342   6.975
  165    HA   SER  27           HA       SER  27  -0.376  -2.254   8.961
  166    HB2  SER  27           HB2      SER  27  -1.615  -3.267   6.451
  167    HB3  SER  27           HB1      SER  27  -0.277  -4.196   7.127
  168    HG   SER  27           HG       SER  27  -1.805  -5.008   8.332
  169    H    CYS  28           HN       CYS  28   0.912  -0.058   7.627
  170    HA   CYS  28           HA       CYS  28   3.476  -1.215   7.223
  171    HB2  CYS  28           HB2      CYS  28   1.981  -1.275   4.972
  172    HB3  CYS  28           HB1      CYS  28   2.699   0.324   4.822
  173    H    ARG  29           HN       ARG  29   2.394   0.690   8.983
  174    HA   ARG  29           HA       ARG  29   3.597   3.211   8.067
  175    HB2  ARG  29           HB2      ARG  29   1.866   2.872  10.509
  176    HB3  ARG  29           HB1      ARG  29   2.249   4.355   9.644
  177    HG2  ARG  29           HG2      ARG  29   0.875   3.710   7.795
  178    HG3  ARG  29           HG1      ARG  29   0.616   2.108   8.488
  179    HD2  ARG  29           HD2      ARG  29  -1.264   2.987   9.329
  180    HD3  ARG  29           HD1      ARG  29  -0.202   3.740  10.518
  181    HE   ARG  29           HE       ARG  29  -0.534   5.283   8.114
  182   HH11  ARG  29          HH11      ARG  29  -1.844   4.583  11.271
  183   HH12  ARG  29          HH12      ARG  29  -2.668   6.100  11.404
  184   HH21  ARG  29          HH21      ARG  29  -1.616   7.279   8.286
  185   HH22  ARG  29          HH22      ARG  29  -2.539   7.631   9.709
  186    H    ALA  30           HN       ALA  30   5.324   1.157   8.804
  187    HA   ALA  30           HA       ALA  30   6.850   2.459  10.832
  188    HB1  ALA  30           HB1      ALA  30   6.902   0.234  12.225
  189    HB2  ALA  30           HB2      ALA  30   5.294   0.021  11.534
  190    HB3  ALA  30           HB3      ALA  30   5.655   1.449  12.503
  191    H    ARG  31           HN       ARG  31   6.346  -0.500   8.939
  192    HA   ARG  31           HA       ARG  31   9.216  -0.489   8.336
  193    HB2  ARG  31           HB2      ARG  31   7.652  -2.936   9.169
  194    HB3  ARG  31           HB1      ARG  31   9.307  -2.944   8.576
  195    HG2  ARG  31           HG2      ARG  31   9.757  -2.957  10.787
  196    HG3  ARG  31           HG1      ARG  31   9.598  -1.212  10.582
  197    HD2  ARG  31           HD2      ARG  31   8.164  -1.430  12.315
  198    HD3  ARG  31           HD1      ARG  31   7.031  -1.850  11.032
  199    HE   ARG  31           HE       ARG  31   8.468  -4.102  12.095
  200   HH11  ARG  31          HH11      ARG  31   5.664  -2.058  12.469
  201   HH12  ARG  31          HH12      ARG  31   4.754  -3.252  13.331
  202   HH21  ARG  31          HH21      ARG  31   7.272  -5.673  13.229
  203   HH22  ARG  31          HH22      ARG  31   5.667  -5.304  13.763
  204    HA   PRO  32           HA       PRO  32   6.969  -0.971   4.397
  205    HB2  PRO  32           HB2      PRO  32   8.714   0.390   2.879
  206    HB3  PRO  32           HB1      PRO  32   7.557   1.219   3.928
  207    HG2  PRO  32           HG2      PRO  32  10.460   0.650   4.388
  208    HG3  PRO  32           HG1      PRO  32   9.547   2.135   4.714
  209    HD2  PRO  32           HD2      PRO  32  10.164   0.279   6.629
  210    HD3  PRO  32           HD1      PRO  32   8.754   1.351   6.715
  211    H    HIS  33           HN       HIS  33   7.270  -3.161   4.071
  212    HA   HIS  33           HA       HIS  33   9.486  -3.899   2.386
  213    HB2  HIS  33           HB2      HIS  33  10.272  -5.750   3.783
  214    HB3  HIS  33           HB1      HIS  33  10.472  -4.211   4.615
  215    HD1  HIS  33           HD1      HIS  33  10.544  -6.357   6.525
  216    HD2  HIS  33           HD2      HIS  33   6.897  -4.937   5.128
  217    HE1  HIS  33           HE1      HIS  33   8.849  -7.048   8.249
  218    HE2  HIS  33           HE2      HIS  33   6.664  -6.103   7.425
  219    H    SER  34           HN       SER  34   7.170  -3.873   1.357
  220    HA   SER  34           HA       SER  34   6.515  -6.574   0.805
  221    HB2  SER  34           HB2      SER  34   3.981  -5.990   1.509
  222    HB3  SER  34           HB1      SER  34   5.106  -6.823   2.581
  223    HG   SER  34           HG       SER  34   5.508  -4.910   3.630
  224    H    ASP  35           HN       ASP  35   5.336  -6.793  -1.069
  225    HA   ASP  35           HA       ASP  35   5.428  -4.780  -2.957
  226    HB2  ASP  35           HB2      ASP  35   4.173  -7.424  -2.749
  227    HB3  ASP  35           HB1      ASP  35   3.342  -6.331  -3.852
  228    H    PHE  36           HN       PHE  36   2.685  -5.757  -0.926
  229    HA   PHE  36           HA       PHE  36   0.803  -3.985  -2.010
  230    HB2  PHE  36           HB2      PHE  36  -0.505  -4.390  -0.008
  231    HB3  PHE  36           HB1      PHE  36   0.233  -5.896  -0.542
  232    HD1  PHE  36           HD2      PHE  36   0.756  -3.076   1.832
  233    HD2  PHE  36           HD1      PHE  36   1.409  -7.192   0.966
  234    HE1  PHE  36           HE2      PHE  36   1.713  -3.393   4.076
  235    HE2  PHE  36           HE1      PHE  36   2.365  -7.516   3.210
  236    HZ   PHE  36           HZ       PHE  36   2.518  -5.615   4.768
  237    H    CYS  37           HN       CYS  37   3.506  -3.411   0.016
  238    HA   CYS  37           HA       CYS  37   2.516  -0.958   1.155
  239    HB2  CYS  37           HB2      CYS  37   4.342  -2.593   2.082
  240    HB3  CYS  37           HB1      CYS  37   5.425  -1.677   1.041
  241    H    LEU  38           HN       LEU  38   4.604  -1.909  -1.518
  242    HA   LEU  38           HA       LEU  38   5.613   0.598  -2.211
  243    HB2  LEU  38           HB2      LEU  38   5.943  -1.901  -3.165
  244    HB3  LEU  38           HB1      LEU  38   4.917  -1.240  -4.422
  245    HG   LEU  38           HG       LEU  38   7.445   0.136  -3.544
  246   HD11  LEU  38          HD11      LEU  38   8.184  -2.008  -4.240
  247   HD12  LEU  38          HD12      LEU  38   8.456  -0.908  -5.592
  248   HD13  LEU  38          HD13      LEU  38   7.082  -2.014  -5.617
  249   HD21  LEU  38          HD21      LEU  38   5.423   0.488  -5.670
  250   HD22  LEU  38          HD22      LEU  38   7.106   0.750  -6.125
  251   HD23  LEU  38          HD23      LEU  38   6.392   1.686  -4.813
  252    H    GLY  39           HN       GLY  39   2.492  -0.851  -2.779
  253    HA2  GLY  39           HA2      GLY  39   1.676   1.097  -4.741
  254    HA3  GLY  39           HA1      GLY  39   0.654  -0.116  -3.984
  255    H    CYS  40           HN       CYS  40   1.081   0.559  -1.289
  256    HA   CYS  40           HA       CYS  40  -0.759   2.713  -1.023
  257    HB2  CYS  40           HB2      CYS  40  -0.678   0.817   0.557
  258    HB3  CYS  40           HB1      CYS  40   0.911   1.346   1.098
  259    H    ALA  41           HN       ALA  41   2.714   2.365  -0.442
  260    HA   ALA  41           HA       ALA  41   3.146   4.905   0.681
  261    HB1  ALA  41           HB1      ALA  41   5.324   4.321   0.739
  262    HB2  ALA  41           HB2      ALA  41   5.330   3.768  -0.936
  263    HB3  ALA  41           HB3      ALA  41   4.688   2.727   0.334
  264    H    ALA  42           HN       ALA  42   3.019   6.852  -0.204
  265    HA   ALA  42           HA       ALA  42   3.569   7.145  -3.078
  266    HB1  ALA  42           HB1      ALA  42   1.488   8.881  -1.861
  267    HB2  ALA  42           HB2      ALA  42   1.058   7.214  -2.246
  268    HB3  ALA  42           HB3      ALA  42   1.644   8.289  -3.516
  269    H    ALA  43           HN       ALA  43   3.203   8.827   0.028
  270    HA   ALA  43           HA       ALA  43   5.303  10.704  -0.843
  271    HB1  ALA  43           HB1      ALA  43   3.062  11.366   1.057
  272    HB2  ALA  43           HB2      ALA  43   3.033  11.732  -0.668
  273    HB3  ALA  43           HB3      ALA  43   4.252  12.471   0.371
  274    HA   PRO  44           HA       PRO  44   7.126   8.565   2.751
  275    HB2  PRO  44           HB2      PRO  44   9.680   9.355   2.210
  276    HB3  PRO  44           HB1      PRO  44   8.915   7.953   1.455
  277    HG2  PRO  44           HG2      PRO  44   9.269  10.724   0.383
  278    HG3  PRO  44           HG1      PRO  44   9.484   9.169  -0.442
  279    HD2  PRO  44           HD2      PRO  44   7.264  10.670  -0.759
  280    HD3  PRO  44           HD1      PRO  44   7.216   8.895  -0.788
  281    HA   PRO  45           HA       PRO  45   7.316  12.085   5.439
  282    HB2  PRO  45           HB2      PRO  45   8.558  10.984   7.571
  283    HB3  PRO  45           HB1      PRO  45   6.889  10.592   7.142
  284    HG2  PRO  45           HG2      PRO  45   9.398   9.057   6.585
  285    HG3  PRO  45           HG1      PRO  45   7.823   8.462   7.140
  286    HD2  PRO  45           HD2      PRO  45   8.634   8.308   4.551
  287    HD3  PRO  45           HD1      PRO  45   6.931   8.478   5.020
  288    H    ALA  46           HN       ALA  46   8.845  13.470   6.603
  289    HA   ALA  46           HA       ALA  46  11.577  13.269   5.511
  290    HB1  ALA  46           HB1      ALA  46   9.682  15.532   5.617
  291    HB2  ALA  46           HB2      ALA  46  10.937  15.154   4.437
  292    HB3  ALA  46           HB3      ALA  46  11.369  15.902   5.975
  293    HA   PRO  47           HA       PRO  47  13.115  13.412   9.640
  294    HB2  PRO  47           HB2      PRO  47  15.458  14.739   9.318
  295    HB3  PRO  47           HB1      PRO  47  15.212  13.081   8.756
  296    HG2  PRO  47           HG2      PRO  47  15.102  15.641   7.208
  297    HG3  PRO  47           HG1      PRO  47  15.850  14.096   6.764
  298    HD2  PRO  47           HD2      PRO  47  13.431  14.871   5.822
  299    HD3  PRO  47           HD1      PRO  47  13.845  13.169   6.109
  300    H    PHE  48           HN       PHE  48  14.174  15.026  11.251
  301    HA   PHE  48           HA       PHE  48  12.363  17.201  11.569
  302    HB2  PHE  48           HB2      PHE  48  13.837  15.733  13.298
  303    HB3  PHE  48           HB1      PHE  48  14.841  17.175  13.190
  304    HD1  PHE  48           HD1      PHE  48  11.177  16.472  13.394
  305    HD2  PHE  48           HD2      PHE  48  14.507  18.651  14.901
  306    HE1  PHE  48           HE1      PHE  48   9.699  17.617  14.994
  307    HE2  PHE  48           HE2      PHE  48  13.036  19.800  16.504
  308    HZ   PHE  48           HZ       PHE  48  10.629  19.283  16.552
  309    H    ARG  49           HN       ARG  49  13.840  19.276  12.572
  310    HA   ARG  49           HA       ARG  49  14.908  21.187  11.957
  311    HB2  ARG  49           HB2      ARG  49  16.676  19.130  11.423
  312    HB3  ARG  49           HB1      ARG  49  16.639  20.021   9.907
  313    HG2  ARG  49           HG2      ARG  49  17.143  22.093  11.183
  314    HG3  ARG  49           HG1      ARG  49  17.327  21.101  12.631
  315    HD2  ARG  49           HD2      ARG  49  19.034  19.763  11.285
  316    HD3  ARG  49           HD1      ARG  49  18.999  21.099  10.135
  317    HE   ARG  49           HE       ARG  49  19.470  22.336  12.489
  318   HH11  ARG  49          HH11      ARG  49  20.983  19.634  10.880
  319   HH12  ARG  49          HH12      ARG  49  22.545  19.941  11.560
  320   HH21  ARG  49          HH21      ARG  49  21.527  22.742  13.385
  321   HH22  ARG  49          HH22      ARG  49  22.855  21.705  12.982
  322    H    LEU  50           HN       LEU  50  15.870  22.203   9.637
  323    HA   LEU  50           HA       LEU  50  13.565  22.907   8.225
  324    HB2  LEU  50           HB2      LEU  50  16.145  23.807   8.323
  325    HB3  LEU  50           HB1      LEU  50  16.078  23.111   6.716
  326    HG   LEU  50           HG       LEU  50  13.852  24.547   6.568
  327   HD11  LEU  50          HD11      LEU  50  15.467  25.839   8.742
  328   HD12  LEU  50          HD12      LEU  50  13.742  25.469   8.715
  329   HD13  LEU  50          HD13      LEU  50  14.383  26.769   7.710
  330   HD21  LEU  50          HD21      LEU  50  16.692  25.162   6.028
  331   HD22  LEU  50          HD22      LEU  50  15.557  26.508   5.932
  332   HD23  LEU  50          HD23      LEU  50  15.316  25.079   4.927
  333    H    LEU  51           HN       LEU  51  13.079  22.533   5.942
  334    HA   LEU  51           HA       LEU  51  13.680  19.755   5.190
  335    HB2  LEU  51           HB2      LEU  51  11.626  20.161   3.637
  336    HB3  LEU  51           HB1      LEU  51  11.395  19.792   5.333
  337    HG   LEU  51           HG       LEU  51   9.925  21.603   4.393
  338   HD11  LEU  51          HD11      LEU  51  10.994  23.191   6.422
  339   HD12  LEU  51          HD12      LEU  51  11.380  21.530   6.871
  340   HD13  LEU  51          HD13      LEU  51   9.708  21.994   6.560
  341   HD21  LEU  51          HD21      LEU  51  11.006  23.876   4.300
  342   HD22  LEU  51          HD22      LEU  51  11.385  22.791   2.964
  343   HD23  LEU  51          HD23      LEU  51  12.560  23.046   4.252
  344    H    TRP  52           HN       TRP  52  13.523  19.387   2.736
  345    HA   TRP  52           HA       TRP  52  14.671  21.616   1.228
  346    HB2  TRP  52           HB2      TRP  52  16.288  19.653   2.281
  347    HB3  TRP  52           HB1      TRP  52  15.987  19.058   0.652
  348    HD1  TRP  52           HD1      TRP  52  18.269  21.250   2.487
  349    HE1  TRP  52           HE1      TRP  52  19.604  22.753   0.879
  350    HE3  TRP  52           HE3      TRP  52  15.517  20.536  -1.761
  351    HZ2  TRP  52           HZ2      TRP  52  19.503  23.532  -1.833
  352    HZ3  TRP  52           HZ3      TRP  52  16.203  21.697  -3.820
  353    HH2  TRP  52           HH2      TRP  52  18.155  23.163  -3.853
  354    HA   PRO  53           HA       PRO  53  11.463  19.040  -1.058
  355    HB2  PRO  53           HB2      PRO  53   9.806  21.114  -1.650
  356    HB3  PRO  53           HB1      PRO  53   9.667  20.159  -0.169
  357    HG2  PRO  53           HG2      PRO  53  10.955  22.829  -0.587
  358    HG3  PRO  53           HG1      PRO  53   9.911  22.286   0.740
  359    HD2  PRO  53           HD2      PRO  53  12.600  22.413   0.974
  360    HD3  PRO  53           HD1      PRO  53  11.631  21.180   1.809
  Start of MODEL   10
    1    H1   GLU   1           HT1      GLU   1  -5.835  -9.569  -7.663
    2    H2   GLU   1           HT2      GLU   1  -6.248  -8.517  -8.957
    3    H3   GLU   1           HT3      GLU   1  -5.387  -9.969  -9.269
    4    HA   GLU   1           HA       GLU   1  -8.185  -9.600  -8.492
    5    HB2  GLU   1           HB2      GLU   1  -6.890 -11.280 -10.643
    6    HB3  GLU   1           HB1      GLU   1  -8.591 -10.859 -10.496
    7    HG2  GLU   1           HG2      GLU   1  -8.120  -9.269 -11.983
    8    HG3  GLU   1           HG1      GLU   1  -7.432  -8.402 -10.611
    9    H    GLN   2           HN       GLN   2  -5.484 -11.880  -8.550
   10    HA   GLN   2           HA       GLN   2  -5.090 -13.791  -7.382
   11    HB2  GLN   2           HB2      GLN   2  -6.211 -12.376  -5.528
   12    HB3  GLN   2           HB1      GLN   2  -7.628 -13.373  -5.826
   13    HG2  GLN   2           HG2      GLN   2  -5.775 -15.292  -5.555
   14    HG3  GLN   2           HG1      GLN   2  -5.072 -14.045  -4.526
   15   HE21  GLN   2          HE21      GLN   2  -6.951 -12.917  -3.189
   16   HE22  GLN   2          HE22      GLN   2  -7.934 -14.031  -2.307
   17    H    ALA   3           HN       ALA   3  -8.655 -13.658  -7.486
   18    HA   ALA   3           HA       ALA   3  -8.959 -15.483  -9.596
   19    HB1  ALA   3           HB1      ALA   3  -9.054 -17.539  -8.681
   20    HB2  ALA   3           HB2      ALA   3  -9.757 -16.951  -7.174
   21    HB3  ALA   3           HB3      ALA   3  -8.020 -16.820  -7.447
   22    HA   PRO   4           HA       PRO   4 -13.137 -14.131  -9.225
   23    HB2  PRO   4           HB2      PRO   4 -14.558 -16.227 -10.188
   24    HB3  PRO   4           HB1      PRO   4 -13.563 -15.194 -11.221
   25    HG2  PRO   4           HG2      PRO   4 -12.935 -17.884 -10.066
   26    HG3  PRO   4           HG1      PRO   4 -12.633 -17.272 -11.702
   27    HD2  PRO   4           HD2      PRO   4 -10.704 -17.381  -9.801
   28    HD3  PRO   4           HD1      PRO   4 -10.736 -16.131 -11.061
   29    H    GLY   5           HN       GLY   5 -13.617 -13.901  -7.067
   30    HA2  GLY   5           HA2      GLY   5 -15.064 -16.150  -5.854
   31    HA3  GLY   5           HA1      GLY   5 -13.761 -15.400  -4.945
   32    H    THR   6           HN       THR   6 -15.586 -13.312  -6.969
   33    HA   THR   6           HA       THR   6 -17.059 -11.633  -6.546
   34    HB   THR   6           HB       THR   6 -18.044 -12.976  -4.067
   35    HG1  THR   6           HG1      THR   6 -19.171 -14.472  -5.338
   36   HG21  THR   6          HG21      THR   6 -19.062 -10.898  -5.255
   37   HG22  THR   6          HG22      THR   6 -20.111 -12.171  -4.632
   38   HG23  THR   6          HG23      THR   6 -19.736 -12.103  -6.353
   39    H    ALA   7           HN       ALA   7 -16.891  -9.683  -5.586
   40    HA   ALA   7           HA       ALA   7 -16.073  -8.026  -4.259
   41    HB1  ALA   7           HB1      ALA   7 -15.965  -8.605  -1.769
   42    HB2  ALA   7           HB2      ALA   7 -16.598 -10.182  -2.240
   43    HB3  ALA   7           HB3      ALA   7 -17.533  -8.723  -2.571
   44    HA   PRO   8           HA       PRO   8 -11.797  -9.945  -4.497
   45    HB2  PRO   8           HB2      PRO   8 -11.293  -7.686  -6.313
   46    HB3  PRO   8           HB1      PRO   8 -10.996  -9.409  -6.558
   47    HG2  PRO   8           HG2      PRO   8 -12.950  -8.108  -7.866
   48    HG3  PRO   8           HG1      PRO   8 -13.125  -9.798  -7.357
   49    HD2  PRO   8           HD2      PRO   8 -14.221  -7.313  -6.089
   50    HD3  PRO   8           HD1      PRO   8 -15.006  -8.886  -6.345
   51    H    CYS   9           HN       CYS   9 -12.391  -8.738  -2.263
   52    HA   CYS   9           HA       CYS   9 -11.731  -7.301  -0.624
   53    HB2  CYS   9           HB2      CYS   9  -9.223  -7.270  -2.314
   54    HB3  CYS   9           HB1      CYS   9  -9.328  -6.684  -0.657
   55    H    SER  10           HN       SER  10 -13.318  -6.060  -2.512
   56    HA   SER  10           HA       SER  10 -12.254  -3.704  -3.613
   57    HB2  SER  10           HB2      SER  10 -14.649  -4.952  -3.796
   58    HB3  SER  10           HB1      SER  10 -15.075  -3.621  -2.721
   59    HG   SER  10           HG       SER  10 -15.314  -2.733  -4.669
   60    H    ARG  11           HN       ARG  11 -11.165  -2.284  -2.392
   61    HA   ARG  11           HA       ARG  11 -12.501  -0.618  -0.565
   62    HB2  ARG  11           HB2      ARG  11 -11.070  -1.262   1.462
   63    HB3  ARG  11           HB1      ARG  11 -12.442  -2.292   1.077
   64    HG2  ARG  11           HG2      ARG  11 -11.046  -3.968   0.163
   65    HG3  ARG  11           HG1      ARG  11  -9.644  -2.897   0.165
   66    HD2  ARG  11           HD2      ARG  11  -9.142  -3.940   2.091
   67    HD3  ARG  11           HD1      ARG  11 -10.334  -2.842   2.783
   68    HE   ARG  11           HE       ARG  11 -11.752  -5.040   1.931
   69   HH11  ARG  11          HH11      ARG  11  -9.141  -4.436   4.167
   70   HH12  ARG  11          HH12      ARG  11  -9.566  -5.750   5.213
   71   HH21  ARG  11          HH21      ARG  11 -12.313  -6.768   3.305
   72   HH22  ARG  11          HH22      ARG  11 -11.365  -7.075   4.722
   73    H    GLY  12           HN       GLY  12 -10.652   0.575   0.863
   74    HA2  GLY  12           HA2      GLY  12  -8.992   1.839  -1.084
   75    HA3  GLY  12           HA1      GLY  12  -9.016   2.180   0.638
   76    H    SER  13           HN       SER  13  -8.544  -1.016   0.607
   77    HA   SER  13           HA       SER  13  -5.885  -0.928   1.420
   78    HB2  SER  13           HB2      SER  13  -5.931  -3.329   1.374
   79    HB3  SER  13           HB1      SER  13  -7.536  -2.784   1.857
   80    HG   SER  13           HG       SER  13  -6.733  -3.645  -0.725
   81    H    SER  14           HN       SER  14  -4.504  -2.903   0.070
   82    HA   SER  14           HA       SER  14  -4.325  -2.073  -2.697
   83    HB2  SER  14           HB2      SER  14  -2.471  -1.222  -0.646
   84    HB3  SER  14           HB1      SER  14  -1.645  -2.163  -1.887
   85    HG   SER  14           HG       SER  14  -1.735  -0.422  -3.044
   86    H    TRP  15           HN       TRP  15  -3.935  -3.730  -4.008
   87    HA   TRP  15           HA       TRP  15  -3.878  -6.369  -3.148
   88    HB2  TRP  15           HB2      TRP  15  -4.547  -6.112  -5.358
   89    HB3  TRP  15           HB1      TRP  15  -3.243  -4.995  -5.733
   90    HD1  TRP  15           HD1      TRP  15  -1.090  -5.985  -6.801
   91    HE1  TRP  15           HE1      TRP  15  -0.357  -8.348  -7.505
   92    HE3  TRP  15           HE3      TRP  15  -4.829  -8.690  -4.599
   93    HZ2  TRP  15           HZ2      TRP  15  -1.245 -11.002  -7.167
   94    HZ3  TRP  15           HZ3      TRP  15  -4.815 -11.136  -4.841
   95    HH2  TRP  15           HH2      TRP  15  -3.059 -12.268  -6.102
   96    H    SER  16           HN       SER  16  -2.124  -7.983  -3.502
   97    HA   SER  16           HA       SER  16   0.545  -6.882  -3.119
   98    HB2  SER  16           HB2      SER  16  -0.315  -9.260  -1.511
   99    HB3  SER  16           HB1      SER  16   0.997  -8.125  -1.198
  100    HG   SER  16           HG       SER  16  -1.787  -7.650  -0.942
  101    H    ALA  17           HN       ALA  17   2.049  -7.836  -4.345
  102    HA   ALA  17           HA       ALA  17   1.268 -10.209  -5.865
  103    HB1  ALA  17           HB1      ALA  17   3.605  -9.519  -6.976
  104    HB2  ALA  17           HB2      ALA  17   3.128  -7.958  -6.309
  105    HB3  ALA  17           HB3      ALA  17   2.065  -8.795  -7.439
  106    H    ASP  18           HN       ASP  18   3.362  -9.241  -3.304
  107    HA   ASP  18           HA       ASP  18   5.444 -11.056  -3.478
  108    HB2  ASP  18           HB2      ASP  18   5.174  -9.195  -1.792
  109    HB3  ASP  18           HB1      ASP  18   4.089 -10.257  -0.900
  110    H    LEU  19           HN       LEU  19   2.149 -11.537  -2.362
  111    HA   LEU  19           HA       LEU  19   2.585 -14.421  -2.456
  112    HB2  LEU  19           HB2      LEU  19   1.224 -14.642  -0.324
  113    HB3  LEU  19           HB1      LEU  19   2.886 -14.111  -0.152
  114    HG   LEU  19           HG       LEU  19   1.081 -11.854  -0.411
  115   HD11  LEU  19          HD11      LEU  19  -0.567 -13.267   0.617
  116   HD12  LEU  19          HD12      LEU  19   0.033 -12.123   1.818
  117   HD13  LEU  19          HD13      LEU  19   0.589 -13.796   1.839
  118   HD21  LEU  19          HD21      LEU  19   2.224 -11.623   2.010
  119   HD22  LEU  19          HD22      LEU  19   3.038 -11.201   0.504
  120   HD23  LEU  19          HD23      LEU  19   3.335 -12.767   1.258
  121    H    ASP  20           HN       ASP  20   1.112 -12.257  -3.968
  122    HA   ASP  20           HA       ASP  20  -0.931 -11.856  -4.915
  123    HB2  ASP  20           HB2      ASP  20  -0.572 -14.818  -4.869
  124    HB3  ASP  20           HB1      ASP  20  -2.121 -14.175  -5.408
  125    H    LYS  21           HN       LYS  21  -1.740 -10.803  -2.985
  126    HA   LYS  21           HA       LYS  21  -4.284 -11.755  -2.235
  127    HB2  LYS  21           HB2      LYS  21  -2.018 -12.389  -0.438
  128    HB3  LYS  21           HB1      LYS  21  -3.454 -11.732   0.335
  129    HG2  LYS  21           HG2      LYS  21  -4.303 -13.728  -1.483
  130    HG3  LYS  21           HG1      LYS  21  -2.957 -14.386  -0.550
  131    HD2  LYS  21           HD2      LYS  21  -4.468 -13.094   1.357
  132    HD3  LYS  21           HD1      LYS  21  -5.686 -13.769   0.275
  133    HE2  LYS  21           HE2      LYS  21  -3.837 -15.815   0.589
  134    HE3  LYS  21           HE1      LYS  21  -3.966 -15.098   2.195
  135    HZ1  LYS  21           HZ1      LYS  21  -6.463 -15.278   1.833
  136    HZ2  LYS  21           HZ2      LYS  21  -5.622 -16.715   2.129
  137    HZ3  LYS  21           HZ3      LYS  21  -6.098 -16.323   0.554
  138    H    CYS  22           HN       CYS  22  -5.520 -10.136  -1.393
  139    HA   CYS  22           HA       CYS  22  -4.552  -7.487  -1.564
  140    HB2  CYS  22           HB2      CYS  22  -6.756  -6.821  -0.760
  141    HB3  CYS  22           HB1      CYS  22  -6.910  -8.096  -1.963
  142    H    MET  23           HN       MET  23  -4.565  -5.878   0.161
  143    HA   MET  23           HA       MET  23  -4.538  -6.631   2.892
  144    HB2  MET  23           HB2      MET  23  -2.128  -7.106   1.485
  145    HB3  MET  23           HB1      MET  23  -1.852  -5.701   2.504
  146    HG2  MET  23           HG2      MET  23  -2.023  -6.882   4.427
  147    HG3  MET  23           HG1      MET  23  -3.193  -8.019   3.757
  148    HE1  MET  23           HE1      MET  23  -0.980  -9.567   5.535
  149    HE2  MET  23           HE2      MET  23  -0.344  -7.923   5.487
  150    HE3  MET  23           HE3      MET  23   0.664  -9.273   4.968
  151    H    ASP  24           HN       ASP  24  -4.742  -4.877   4.187
  152    HA   ASP  24           HA       ASP  24  -5.378  -2.394   3.074
  153    HB2  ASP  24           HB2      ASP  24  -5.567  -3.574   5.585
  154    HB3  ASP  24           HB1      ASP  24  -4.501  -2.197   5.845
  155    H    CYS  25           HN       CYS  25  -4.332  -0.307   3.509
  156    HA   CYS  25           HA       CYS  25  -1.521  -0.450   2.845
  157    HB2  CYS  25           HB2      CYS  25  -3.190   2.030   3.269
  158    HB3  CYS  25           HB1      CYS  25  -1.675   1.898   2.383
  159    H    ALA  26           HN       ALA  26  -3.521   0.432   5.572
  160    HA   ALA  26           HA       ALA  26  -1.354   1.616   7.061
  161    HB1  ALA  26           HB1      ALA  26  -2.932   2.319   8.513
  162    HB2  ALA  26           HB2      ALA  26  -3.781   0.773   8.504
  163    HB3  ALA  26           HB3      ALA  26  -4.027   1.922   7.189
  164    H    SER  27           HN       SER  27   0.243   0.120   7.390
  165    HA   SER  27           HA       SER  27   0.080  -1.601   9.564
  166    HB2  SER  27           HB2      SER  27  -1.238  -2.772   7.461
  167    HB3  SER  27           HB1      SER  27   0.379  -3.453   7.300
  168    HG   SER  27           HG       SER  27  -1.361  -4.414   8.822
  169    H    CYS  28           HN       CYS  28   1.595  -0.880   6.489
  170    HA   CYS  28           HA       CYS  28   4.109  -2.057   7.210
  171    HB2  CYS  28           HB2      CYS  28   2.963  -0.721   4.841
  172    HB3  CYS  28           HB1      CYS  28   4.696  -0.511   5.059
  173    H    ARG  29           HN       ARG  29   3.576  -0.414   9.240
  174    HA   ARG  29           HA       ARG  29   4.671   2.215   8.841
  175    HB2  ARG  29           HB2      ARG  29   2.945   1.288  10.643
  176    HB3  ARG  29           HB1      ARG  29   4.421   1.035  11.565
  177    HG2  ARG  29           HG2      ARG  29   4.979   3.434  11.207
  178    HG3  ARG  29           HG1      ARG  29   3.393   3.637  10.458
  179    HD2  ARG  29           HD2      ARG  29   2.303   3.540  12.433
  180    HD3  ARG  29           HD1      ARG  29   3.397   2.325  13.095
  181    HE   ARG  29           HE       ARG  29   4.920   4.556  13.042
  182   HH11  ARG  29          HH11      ARG  29   1.746   3.873  14.325
  183   HH12  ARG  29          HH12      ARG  29   1.877   5.034  15.604
  184   HH21  ARG  29          HH21      ARG  29   5.093   6.082  14.725
  185   HH22  ARG  29          HH22      ARG  29   3.776   6.287  15.832
  186    H    ALA  30           HN       ALA  30   6.068  -0.771   8.993
  187    HA   ALA  30           HA       ALA  30   8.691   0.138   9.099
  188    HB1  ALA  30           HB1      ALA  30   9.353  -0.844  11.339
  189    HB2  ALA  30           HB2      ALA  30   7.636  -0.827  11.745
  190    HB3  ALA  30           HB3      ALA  30   8.473   0.684  11.384
  191    H    ARG  31           HN       ARG  31   6.431  -2.476   9.682
  192    HA   ARG  31           HA       ARG  31   8.304  -4.594   9.366
  193    HB2  ARG  31           HB2      ARG  31   5.307  -4.655   8.986
  194    HB3  ARG  31           HB1      ARG  31   6.355  -6.044   9.243
  195    HG2  ARG  31           HG2      ARG  31   5.995  -3.817  11.233
  196    HG3  ARG  31           HG1      ARG  31   5.079  -5.326  11.252
  197    HD2  ARG  31           HD2      ARG  31   7.625  -6.255  11.094
  198    HD3  ARG  31           HD1      ARG  31   7.860  -4.785  12.037
  199    HE   ARG  31           HE       ARG  31   6.553  -7.200  12.884
  200   HH11  ARG  31          HH11      ARG  31   6.817  -3.760  13.404
  201   HH12  ARG  31          HH12      ARG  31   6.262  -3.838  15.043
  202   HH21  ARG  31          HH21      ARG  31   5.822  -7.306  15.038
  203   HH22  ARG  31          HH22      ARG  31   5.698  -5.851  15.971
  204    HA   PRO  32           HA       PRO  32   8.429  -4.122   4.878
  205    HB2  PRO  32           HB2      PRO  32  10.591  -5.656   4.454
  206    HB3  PRO  32           HB1      PRO  32  10.728  -4.040   5.158
  207    HG2  PRO  32           HG2      PRO  32  10.764  -6.707   6.516
  208    HG3  PRO  32           HG1      PRO  32  11.797  -5.294   6.799
  209    HD2  PRO  32           HD2      PRO  32   9.631  -5.929   8.349
  210    HD3  PRO  32           HD1      PRO  32  10.246  -4.278   8.144
  211    H    HIS  33           HN       HIS  33   9.214  -6.142   3.229
  212    HA   HIS  33           HA       HIS  33   8.563  -8.060   2.205
  213    HB2  HIS  33           HB2      HIS  33   8.298  -8.726   5.067
  214    HB3  HIS  33           HB1      HIS  33   7.336  -9.722   3.982
  215    HD1  HIS  33           HD1      HIS  33  10.431  -9.834   5.581
  216    HD2  HIS  33           HD2      HIS  33   9.239 -10.543   1.663
  217    HE1  HIS  33           HE1      HIS  33  12.246 -11.253   4.572
  218    HE2  HIS  33           HE2      HIS  33  11.549 -11.587   2.175
  219    H    SER  34           HN       SER  34   6.978  -6.211   1.522
  220    HA   SER  34           HA       SER  34   4.410  -7.434   1.294
  221    HB2  SER  34           HB2      SER  34   4.750  -4.963   2.973
  222    HB3  SER  34           HB1      SER  34   3.236  -5.282   2.123
  223    HG   SER  34           HG       SER  34   4.485  -6.843   4.128
  224    H    ASP  35           HN       ASP  35   3.375  -6.805  -0.535
  225    HA   ASP  35           HA       ASP  35   4.730  -4.810  -2.162
  226    HB2  ASP  35           HB2      ASP  35   3.172  -7.268  -2.766
  227    HB3  ASP  35           HB1      ASP  35   3.109  -5.955  -3.939
  228    H    PHE  36           HN       PHE  36   1.865  -5.307  -0.388
  229    HA   PHE  36           HA       PHE  36   0.108  -3.689  -1.933
  230    HB2  PHE  36           HB2      PHE  36  -1.269  -3.641   0.168
  231    HB3  PHE  36           HB1      PHE  36  -0.861  -5.254  -0.404
  232    HD1  PHE  36           HD1      PHE  36  -0.167  -2.709   2.153
  233    HD2  PHE  36           HD2      PHE  36   0.513  -6.713   0.883
  234    HE1  PHE  36           HE1      PHE  36   0.768  -3.248   4.366
  235    HE2  PHE  36           HE2      PHE  36   1.449  -7.259   3.092
  236    HZ   PHE  36           HZ       PHE  36   1.577  -5.526   4.837
  237    H    CYS  37           HN       CYS  37   2.110  -3.054   0.927
  238    HA   CYS  37           HA       CYS  37   1.335  -0.305   1.082
  239    HB2  CYS  37           HB2      CYS  37   3.303  -0.155   2.679
  240    HB3  CYS  37           HB1      CYS  37   2.034  -1.291   3.120
  241    H    LEU  38           HN       LEU  38   3.713  -2.078  -0.681
  242    HA   LEU  38           HA       LEU  38   5.604  -0.053  -1.138
  243    HB2  LEU  38           HB2      LEU  38   6.075  -2.371  -1.650
  244    HB3  LEU  38           HB1      LEU  38   4.794  -2.404  -2.847
  245    HG   LEU  38           HG       LEU  38   6.921  -0.392  -3.276
  246   HD11  LEU  38          HD11      LEU  38   8.537  -1.917  -2.873
  247   HD12  LEU  38          HD12      LEU  38   8.103  -2.466  -4.492
  248   HD13  LEU  38          HD13      LEU  38   7.448  -3.290  -3.077
  249   HD21  LEU  38          HD21      LEU  38   6.447  -0.744  -5.517
  250   HD22  LEU  38          HD22      LEU  38   4.879  -0.990  -4.746
  251   HD23  LEU  38          HD23      LEU  38   5.847  -2.380  -5.238
  252    H    GLY  39           HN       GLY  39   2.459  -0.653  -2.503
  253    HA2  GLY  39           HA2      GLY  39   2.914   1.358  -4.594
  254    HA3  GLY  39           HA1      GLY  39   1.552   0.252  -4.512
  255    H    CYS  40           HN       CYS  40   0.756   0.675  -1.866
  256    HA   CYS  40           HA       CYS  40  -0.824   3.003  -2.158
  257    HB2  CYS  40           HB2      CYS  40  -1.016   0.762  -0.641
  258    HB3  CYS  40           HB1      CYS  40  -0.481   1.921   0.570
  259    H    ALA  41           HN       ALA  41   2.291   2.427  -0.754
  260    HA   ALA  41           HA       ALA  41   2.496   4.492   1.087
  261    HB1  ALA  41           HB1      ALA  41   4.424   2.963  -0.563
  262    HB2  ALA  41           HB2      ALA  41   4.335   3.164   1.187
  263    HB3  ALA  41           HB3      ALA  41   5.000   4.453   0.185
  264    H    ALA  42           HN       ALA  42   3.787   4.628  -2.240
  265    HA   ALA  42           HA       ALA  42   2.700   7.264  -2.650
  266    HB1  ALA  42           HB1      ALA  42   4.551   8.037  -1.442
  267    HB2  ALA  42           HB2      ALA  42   5.019   8.218  -3.132
  268    HB3  ALA  42           HB3      ALA  42   5.638   6.864  -2.186
  269    H    ALA  43           HN       ALA  43   2.172   7.437  -4.725
  270    HA   ALA  43           HA       ALA  43   3.848   6.708  -6.875
  271    HB1  ALA  43           HB1      ALA  43   2.753   4.782  -7.758
  272    HB2  ALA  43           HB2      ALA  43   1.505   4.849  -6.514
  273    HB3  ALA  43           HB3      ALA  43   3.164   4.436  -6.078
  274    HA   PRO  44           HA       PRO  44   0.332   9.631  -7.752
  275    HB2  PRO  44           HB2      PRO  44   1.876  11.584  -8.827
  276    HB3  PRO  44           HB1      PRO  44   1.572  11.450  -7.091
  277    HG2  PRO  44           HG2      PRO  44   3.954  10.558  -8.670
  278    HG3  PRO  44           HG1      PRO  44   3.897  11.390  -7.105
  279    HD2  PRO  44           HD2      PRO  44   4.306   8.722  -7.323
  280    HD3  PRO  44           HD1      PRO  44   3.451   9.447  -5.948
  281    HA   PRO  45           HA       PRO  45   0.632   7.814 -11.914
  282    HB2  PRO  45           HB2      PRO  45  -2.011   8.027 -12.484
  283    HB3  PRO  45           HB1      PRO  45  -1.346   6.721 -11.497
  284    HG2  PRO  45           HG2      PRO  45  -2.704   9.244 -10.631
  285    HG3  PRO  45           HG1      PRO  45  -2.912   7.594 -10.016
  286    HD2  PRO  45           HD2      PRO  45  -1.395   9.438  -8.743
  287    HD3  PRO  45           HD1      PRO  45  -1.015   7.704  -8.712
  288    H    ALA  46           HN       ALA  46   1.816   9.632 -12.710
  289    HA   ALA  46           HA       ALA  46   0.408  11.178 -14.611
  290    HB1  ALA  46           HB1      ALA  46   0.121  12.289 -12.176
  291    HB2  ALA  46           HB2      ALA  46   0.158  13.216 -13.676
  292    HB3  ALA  46           HB3      ALA  46   1.617  13.065 -12.696
  293    HA   PRO  47           HA       PRO  47   4.594  11.106 -16.104
  294    HB2  PRO  47           HB2      PRO  47   4.266  12.537 -18.360
  295    HB3  PRO  47           HB1      PRO  47   3.615  10.903 -18.186
  296    HG2  PRO  47           HG2      PRO  47   2.219  13.537 -17.916
  297    HG3  PRO  47           HG1      PRO  47   1.671  12.059 -18.727
  298    HD2  PRO  47           HD2      PRO  47   0.863  12.791 -16.224
  299    HD3  PRO  47           HD1      PRO  47   0.951  11.105 -16.769
  300    H    PHE  48           HN       PHE  48   5.979  12.266 -14.873
  301    HA   PHE  48           HA       PHE  48   5.821  15.199 -14.975
  302    HB2  PHE  48           HB2      PHE  48   6.487  13.282 -12.881
  303    HB3  PHE  48           HB1      PHE  48   7.706  14.542 -13.044
  304    HD1  PHE  48           HD1      PHE  48   6.611  16.984 -13.354
  305    HD2  PHE  48           HD2      PHE  48   4.808  13.673 -11.382
  306    HE1  PHE  48           HE1      PHE  48   5.189  18.528 -12.072
  307    HE2  PHE  48           HE2      PHE  48   3.381  15.211 -10.096
  308    HZ   PHE  48           HZ       PHE  48   3.570  17.642 -10.441
  309    H    ARG  49           HN       ARG  49   7.878  12.450 -15.616
  310    HA   ARG  49           HA       ARG  49  10.025  14.244 -16.514
  311    HB2  ARG  49           HB2      ARG  49   9.963  11.415 -15.558
  312    HB3  ARG  49           HB1      ARG  49  11.231  11.900 -16.675
  313    HG2  ARG  49           HG2      ARG  49  10.798  13.658 -14.346
  314    HG3  ARG  49           HG1      ARG  49  11.467  12.059 -14.017
  315    HD2  ARG  49           HD2      ARG  49  13.387  13.264 -14.383
  316    HD3  ARG  49           HD1      ARG  49  13.063  12.652 -16.004
  317    HE   ARG  49           HE       ARG  49  11.791  15.038 -15.983
  318   HH11  ARG  49          HH11      ARG  49  15.044  14.062 -15.180
  319   HH12  ARG  49          HH12      ARG  49  15.746  15.577 -15.640
  320   HH21  ARG  49          HH21      ARG  49  12.713  17.031 -16.589
  321   HH22  ARG  49          HH22      ARG  49  14.423  17.263 -16.439
  322    H    LEU  50           HN       LEU  50  11.332  12.997 -18.387
  323    HA   LEU  50           HA       LEU  50   9.439  11.995 -20.383
  324    HB2  LEU  50           HB2      LEU  50  10.345  14.618 -20.395
  325    HB3  LEU  50           HB1      LEU  50  11.390  13.813 -21.549
  326    HG   LEU  50           HG       LEU  50   8.766  12.961 -22.140
  327   HD11  LEU  50          HD11      LEU  50   7.374  14.724 -22.051
  328   HD12  LEU  50          HD12      LEU  50   8.657  15.889 -22.380
  329   HD13  LEU  50          HD13      LEU  50   8.444  15.251 -20.750
  330   HD21  LEU  50          HD21      LEU  50  10.145  13.106 -23.950
  331   HD22  LEU  50          HD22      LEU  50  10.881  14.615 -23.411
  332   HD23  LEU  50          HD23      LEU  50   9.270  14.627 -24.129
  333    H    LEU  51           HN       LEU  51  10.446  10.872 -22.155
  334    HA   LEU  51           HA       LEU  51  13.236  10.084 -21.668
  335    HB2  LEU  51           HB2      LEU  51  11.001   8.459 -21.222
  336    HB3  LEU  51           HB1      LEU  51  11.662   7.909 -22.751
  337    HG   LEU  51           HG       LEU  51  13.889   7.669 -21.614
  338   HD11  LEU  51          HD11      LEU  51  12.541   7.632 -18.982
  339   HD12  LEU  51          HD12      LEU  51  12.904   9.214 -19.671
  340   HD13  LEU  51          HD13      LEU  51  14.202   8.050 -19.405
  341   HD21  LEU  51          HD21      LEU  51  13.386   5.548 -20.693
  342   HD22  LEU  51          HD22      LEU  51  12.222   5.813 -21.992
  343   HD23  LEU  51          HD23      LEU  51  11.731   6.027 -20.312
  344    H    TRP  52           HN       TRP  52  14.025   8.715 -23.599
  345    HA   TRP  52           HA       TRP  52  14.138   8.272 -25.878
  346    HB2  TRP  52           HB2      TRP  52  11.804   9.868 -25.938
  347    HB3  TRP  52           HB1      TRP  52  12.933  10.585 -27.079
  348    HD1  TRP  52           HD1      TRP  52  10.160   8.816 -27.653
  349    HE1  TRP  52           HE1      TRP  52  10.353   6.910 -29.369
  350    HE3  TRP  52           HE3      TRP  52  15.234   8.174 -27.592
  351    HZ2  TRP  52           HZ2      TRP  52  12.385   5.342 -30.543
  352    HZ3  TRP  52           HZ3      TRP  52  16.221   6.450 -29.041
  353    HH2  TRP  52           HH2      TRP  52  14.824   5.064 -30.486
  354    HA   PRO  53           HA       PRO  53  16.657  12.123 -26.806
  355    HB2  PRO  53           HB2      PRO  53  15.995  14.567 -25.968
  356    HB3  PRO  53           HB1      PRO  53  15.130  13.794 -27.302
  357    HG2  PRO  53           HG2      PRO  53  14.302  14.163 -24.466
  358    HG3  PRO  53           HG1      PRO  53  13.318  14.200 -25.939
  359    HD2  PRO  53           HD2      PRO  53  13.602  12.035 -24.176
  360    HD3  PRO  53           HD1      PRO  53  12.900  11.977 -25.803
  Start of MODEL   11
    1    H1   GLU   1           HT1      GLU   1 -14.200   9.325 -14.475
    2    H2   GLU   1           HT2      GLU   1 -15.769   8.641 -14.350
    3    H3   GLU   1           HT3      GLU   1 -15.108   8.998 -15.893
    4    HA   GLU   1           HA       GLU   1 -14.941   6.716 -15.605
    5    HB2  GLU   1           HB2      GLU   1 -12.525   8.422 -15.428
    6    HB3  GLU   1           HB1      GLU   1 -12.273   6.706 -15.140
    7    HG2  GLU   1           HG2      GLU   1 -13.918   7.266 -17.482
    8    HG3  GLU   1           HG1      GLU   1 -12.288   7.930 -17.580
    9    H    GLN   2           HN       GLN   2 -15.395   5.195 -14.165
   10    HA   GLN   2           HA       GLN   2 -13.860   4.805 -11.799
   11    HB2  GLN   2           HB2      GLN   2 -15.767   6.688 -11.423
   12    HB3  GLN   2           HB1      GLN   2 -16.686   5.240 -11.041
   13    HG2  GLN   2           HG2      GLN   2 -14.136   5.125  -9.751
   14    HG3  GLN   2           HG1      GLN   2 -14.922   6.661  -9.386
   15   HE21  GLN   2          HE21      GLN   2 -16.487   6.699  -7.907
   16   HE22  GLN   2          HE22      GLN   2 -17.193   5.306  -7.166
   17    H    ALA   3           HN       ALA   3 -13.652   2.673 -11.932
   18    HA   ALA   3           HA       ALA   3 -15.925   1.052 -12.810
   19    HB1  ALA   3           HB1      ALA   3 -13.351   0.946 -13.590
   20    HB2  ALA   3           HB2      ALA   3 -14.450  -0.432 -13.652
   21    HB3  ALA   3           HB3      ALA   3 -13.334  -0.255 -12.298
   22    HA   PRO   4           HA       PRO   4 -16.679  -0.380  -8.688
   23    HB2  PRO   4           HB2      PRO   4 -18.044  -2.646  -9.215
   24    HB3  PRO   4           HB1      PRO   4 -18.732  -1.043  -9.504
   25    HG2  PRO   4           HG2      PRO   4 -17.477  -2.943 -11.448
   26    HG3  PRO   4           HG1      PRO   4 -18.948  -1.970 -11.627
   27    HD2  PRO   4           HD2      PRO   4 -16.546  -1.251 -12.690
   28    HD3  PRO   4           HD1      PRO   4 -17.774  -0.075 -12.185
   29    H    GLY   5           HN       GLY   5 -16.668  -2.690  -7.525
   30    HA2  GLY   5           HA2      GLY   5 -15.266  -4.861  -7.989
   31    HA3  GLY   5           HA1      GLY   5 -13.949  -3.698  -7.934
   32    H    THR   6           HN       THR   6 -16.747  -4.804  -6.034
   33    HA   THR   6           HA       THR   6 -15.644  -3.827  -3.576
   34    HB   THR   6           HB       THR   6 -18.048  -3.937  -3.823
   35    HG1  THR   6           HG1      THR   6 -17.718  -4.232  -1.744
   36   HG21  THR   6          HG21      THR   6 -17.675  -6.900  -4.163
   37   HG22  THR   6          HG22      THR   6 -18.351  -5.764  -5.331
   38   HG23  THR   6          HG23      THR   6 -19.220  -6.115  -3.836
   39    H    ALA   7           HN       ALA   7 -15.571  -6.798  -5.341
   40    HA   ALA   7           HA       ALA   7 -14.667  -8.436  -3.173
   41    HB1  ALA   7           HB1      ALA   7 -15.560  -9.841  -4.683
   42    HB2  ALA   7           HB2      ALA   7 -13.932  -9.829  -5.360
   43    HB3  ALA   7           HB3      ALA   7 -15.181  -8.789  -6.046
   44    HA   PRO   8           HA       PRO   8 -10.360  -8.084  -5.323
   45    HB2  PRO   8           HB2      PRO   8 -10.067  -6.202  -7.270
   46    HB3  PRO   8           HB1      PRO   8 -10.538  -7.875  -7.599
   47    HG2  PRO   8           HG2      PRO   8 -12.251  -5.431  -7.384
   48    HG3  PRO   8           HG1      PRO   8 -12.334  -6.756  -8.559
   49    HD2  PRO   8           HD2      PRO   8 -14.005  -6.589  -6.444
   50    HD3  PRO   8           HD1      PRO   8 -13.460  -8.145  -7.101
   51    H    CYS   9           HN       CYS   9 -11.071  -6.867  -3.094
   52    HA   CYS   9           HA       CYS   9 -10.431  -5.291  -1.583
   53    HB2  CYS   9           HB2      CYS   9  -8.554  -4.166  -3.654
   54    HB3  CYS   9           HB1      CYS   9  -8.384  -4.150  -1.901
   55    H    SER  10           HN       SER  10  -9.982  -2.728  -1.487
   56    HA   SER  10           HA       SER  10 -11.877  -1.395  -3.291
   57    HB2  SER  10           HB2      SER  10 -11.847  -1.068  -0.281
   58    HB3  SER  10           HB1      SER  10 -12.894  -0.204  -1.407
   59    HG   SER  10           HG       SER  10 -14.183  -1.826  -0.986
   60    H    ARG  11           HN       ARG  11 -11.816   1.125  -2.417
   61    HA   ARG  11           HA       ARG  11  -9.248   2.032  -3.228
   62    HB2  ARG  11           HB2      ARG  11 -11.706   3.128  -3.295
   63    HB3  ARG  11           HB1      ARG  11 -11.077   3.922  -1.857
   64    HG2  ARG  11           HG2      ARG  11  -9.960   5.359  -3.108
   65    HG3  ARG  11           HG1      ARG  11  -9.089   4.038  -3.890
   66    HD2  ARG  11           HD2      ARG  11 -10.103   4.749  -5.759
   67    HD3  ARG  11           HD1      ARG  11 -11.514   3.903  -5.124
   68    HE   ARG  11           HE       ARG  11 -12.513   5.927  -4.730
   69   HH11  ARG  11          HH11      ARG  11  -9.115   6.437  -5.343
   70   HH12  ARG  11          HH12      ARG  11  -9.261   8.161  -5.426
   71   HH21  ARG  11          HH21      ARG  11 -12.706   8.194  -4.840
   72   HH22  ARG  11          HH22      ARG  11 -11.299   9.159  -5.140
   73    H    GLY  12           HN       GLY  12  -7.500   2.522  -2.060
   74    HA2  GLY  12           HA2      GLY  12  -6.605   3.645  -0.065
   75    HA3  GLY  12           HA1      GLY  12  -7.825   2.789   0.866
   76    H    SER  13           HN       SER  13  -7.560   0.239  -0.265
   77    HA   SER  13           HA       SER  13  -5.184  -0.648   1.105
   78    HB2  SER  13           HB2      SER  13  -6.054  -2.943   0.371
   79    HB3  SER  13           HB1      SER  13  -7.092  -2.014   1.452
   80    HG   SER  13           HG       SER  13  -8.546  -1.910  -0.062
   81    H    SER  14           HN       SER  14  -4.192  -2.738  -0.188
   82    HA   SER  14           HA       SER  14  -3.666  -2.103  -2.947
   83    HB2  SER  14           HB2      SER  14  -1.601  -1.797  -0.790
   84    HB3  SER  14           HB1      SER  14  -1.119  -2.249  -2.425
   85    HG   SER  14           HG       SER  14  -1.316  -0.234  -2.938
   86    H    TRP  15           HN       TRP  15  -2.960  -3.837  -4.136
   87    HA   TRP  15           HA       TRP  15  -3.310  -6.422  -2.917
   88    HB2  TRP  15           HB2      TRP  15  -4.229  -6.394  -5.041
   89    HB3  TRP  15           HB1      TRP  15  -2.951  -5.381  -5.698
   90    HD1  TRP  15           HD1      TRP  15  -0.894  -6.576  -6.799
   91    HE1  TRP  15           HE1      TRP  15  -0.370  -9.028  -7.378
   92    HE3  TRP  15           HE3      TRP  15  -4.618  -8.856  -4.138
   93    HZ2  TRP  15           HZ2      TRP  15  -1.398 -11.584  -6.784
   94    HZ3  TRP  15           HZ3      TRP  15  -4.780 -11.308  -4.199
   95    HH2  TRP  15           HH2      TRP  15  -3.201 -12.645  -5.496
   96    H    SER  16           HN       SER  16  -1.704  -8.196  -3.364
   97    HA   SER  16           HA       SER  16   1.049  -7.266  -3.405
   98    HB2  SER  16           HB2      SER  16   0.387  -9.409  -1.448
   99    HB3  SER  16           HB1      SER  16   1.648  -8.178  -1.381
  100    HG   SER  16           HG       SER  16  -0.279  -7.984   0.072
  101    H    ALA  17           HN       ALA  17   2.242  -8.412  -4.775
  102    HA   ALA  17           HA       ALA  17   1.159 -10.905  -5.834
  103    HB1  ALA  17           HB1      ALA  17   2.234 -10.442  -7.761
  104    HB2  ALA  17           HB2      ALA  17   3.674  -9.842  -6.939
  105    HB3  ALA  17           HB3      ALA  17   2.258  -8.804  -7.109
  106    H    ASP  18           HN       ASP  18   3.625  -9.791  -3.710
  107    HA   ASP  18           HA       ASP  18   5.578 -11.743  -3.949
  108    HB2  ASP  18           HB2      ASP  18   5.387  -9.621  -2.398
  109    HB3  ASP  18           HB1      ASP  18   4.786 -10.790  -1.226
  110    H    LEU  19           HN       LEU  19   2.423 -11.911  -2.450
  111    HA   LEU  19           HA       LEU  19   2.726 -14.795  -2.205
  112    HB2  LEU  19           HB2      LEU  19   1.567 -14.573   0.113
  113    HB3  LEU  19           HB1      LEU  19   3.307 -14.396  -0.015
  114    HG   LEU  19           HG       LEU  19   2.102 -11.820  -0.342
  115   HD11  LEU  19          HD11      LEU  19   0.633 -11.569   1.343
  116   HD12  LEU  19          HD12      LEU  19   1.469 -12.719   2.387
  117   HD13  LEU  19          HD13      LEU  19   0.388 -13.301   1.120
  118   HD21  LEU  19          HD21      LEU  19   4.262 -11.790   0.427
  119   HD22  LEU  19          HD22      LEU  19   4.013 -13.163   1.506
  120   HD23  LEU  19          HD23      LEU  19   3.380 -11.575   1.941
  121    H    ASP  20           HN       ASP  20   1.148 -12.724  -3.748
  122    HA   ASP  20           HA       ASP  20  -0.990 -12.313  -4.450
  123    HB2  ASP  20           HB2      ASP  20  -0.780 -15.272  -4.082
  124    HB3  ASP  20           HB1      ASP  20  -2.335 -14.581  -4.537
  125    H    LYS  21           HN       LYS  21  -1.555 -10.994  -2.626
  126    HA   LYS  21           HA       LYS  21  -3.969 -11.766  -1.401
  127    HB2  LYS  21           HB2      LYS  21  -1.799 -12.792  -0.059
  128    HB3  LYS  21           HB1      LYS  21  -2.103 -11.294   0.810
  129    HG2  LYS  21           HG2      LYS  21  -4.616 -12.398   0.518
  130    HG3  LYS  21           HG1      LYS  21  -3.576 -13.788   0.829
  131    HD2  LYS  21           HD2      LYS  21  -2.613 -12.307   2.737
  132    HD3  LYS  21           HD1      LYS  21  -4.114 -11.400   2.551
  133    HE2  LYS  21           HE2      LYS  21  -5.396 -13.448   2.927
  134    HE3  LYS  21           HE1      LYS  21  -3.897 -14.358   3.104
  135    HZ1  LYS  21           HZ1      LYS  21  -4.324 -12.026   4.829
  136    HZ2  LYS  21           HZ2      LYS  21  -3.485 -13.461   5.145
  137    HZ3  LYS  21           HZ3      LYS  21  -5.177 -13.446   5.178
  138    H    CYS  22           HN       CYS  22  -5.071 -10.009  -0.656
  139    HA   CYS  22           HA       CYS  22  -3.941  -7.430  -1.226
  140    HB2  CYS  22           HB2      CYS  22  -6.432  -8.334  -1.438
  141    HB3  CYS  22           HB1      CYS  22  -6.546  -7.702   0.201
  142    H    MET  23           HN       MET  23  -4.027  -5.624   0.323
  143    HA   MET  23           HA       MET  23  -4.151  -6.138   3.117
  144    HB2  MET  23           HB2      MET  23  -1.674  -6.676   1.855
  145    HB3  MET  23           HB1      MET  23  -1.468  -5.189   2.770
  146    HG2  MET  23           HG2      MET  23  -1.329  -6.315   4.663
  147    HG3  MET  23           HG1      MET  23  -2.882  -7.092   4.364
  148    HE1  MET  23           HE1      MET  23   0.213  -7.772   5.574
  149    HE2  MET  23           HE2      MET  23   0.495  -9.470   5.188
  150    HE3  MET  23           HE3      MET  23  -0.988  -8.986   6.013
  151    H    ASP  24           HN       ASP  24  -4.830  -4.321   4.029
  152    HA   ASP  24           HA       ASP  24  -5.060  -1.901   2.618
  153    HB2  ASP  24           HB2      ASP  24  -6.340  -2.836   4.730
  154    HB3  ASP  24           HB1      ASP  24  -5.114  -1.927   5.607
  155    H    CYS  25           HN       CYS  25  -4.203   0.222   3.449
  156    HA   CYS  25           HA       CYS  25  -1.333   0.077   3.528
  157    HB2  CYS  25           HB2      CYS  25  -3.161   1.925   2.587
  158    HB3  CYS  25           HB1      CYS  25  -2.500   2.714   4.014
  159    H    ALA  26           HN       ALA  26  -3.894   0.561   5.822
  160    HA   ALA  26           HA       ALA  26  -2.548   1.885   7.869
  161    HB1  ALA  26           HB1      ALA  26  -4.657  -0.246   8.192
  162    HB2  ALA  26           HB2      ALA  26  -4.979   1.450   7.828
  163    HB3  ALA  26           HB3      ALA  26  -4.230   1.004   9.361
  164    H    SER  27           HN       SER  27  -2.409  -1.458   6.866
  165    HA   SER  27           HA       SER  27  -0.897  -2.233   9.205
  166    HB2  SER  27           HB2      SER  27  -2.668  -3.691   8.041
  167    HB3  SER  27           HB1      SER  27  -1.433  -3.980   6.815
  168    HG   SER  27           HG       SER  27  -0.071  -4.686   8.597
  169    H    CYS  28           HN       CYS  28   0.451  -0.287   7.857
  170    HA   CYS  28           HA       CYS  28   2.895  -1.612   7.213
  171    HB2  CYS  28           HB2      CYS  28   1.542  -1.637   5.059
  172    HB3  CYS  28           HB1      CYS  28   1.701   0.115   5.051
  173    H    ARG  29           HN       ARG  29   2.123   0.180   9.225
  174    HA   ARG  29           HA       ARG  29   3.499   2.667   8.458
  175    HB2  ARG  29           HB2      ARG  29   1.068   2.540   9.508
  176    HB3  ARG  29           HB1      ARG  29   1.973   2.432  11.011
  177    HG2  ARG  29           HG2      ARG  29   1.595   4.696  10.813
  178    HG3  ARG  29           HG1      ARG  29   3.217   4.523  10.139
  179    HD2  ARG  29           HD2      ARG  29   1.516   4.122   7.979
  180    HD3  ARG  29           HD1      ARG  29   0.776   5.442   8.882
  181    HE   ARG  29           HE       ARG  29   3.595   5.785   8.485
  182   HH11  ARG  29          HH11      ARG  29   0.445   6.239   7.053
  183   HH12  ARG  29          HH12      ARG  29   0.964   7.524   6.015
  184   HH21  ARG  29          HH21      ARG  29   4.278   7.477   7.123
  185   HH22  ARG  29          HH22      ARG  29   3.141   8.227   6.054
  186    H    ALA  30           HN       ALA  30   4.975   0.316   9.021
  187    HA   ALA  30           HA       ALA  30   6.853   1.307  10.862
  188    HB1  ALA  30           HB1      ALA  30   5.057  -0.870  11.914
  189    HB2  ALA  30           HB2      ALA  30   5.311   0.737  12.595
  190    HB3  ALA  30           HB3      ALA  30   6.616  -0.449  12.623
  191    H    ARG  31           HN       ARG  31   5.488  -1.583   9.356
  192    HA   ARG  31           HA       ARG  31   8.228  -2.570   8.911
  193    HB2  ARG  31           HB2      ARG  31   5.615  -4.078   9.078
  194    HB3  ARG  31           HB1      ARG  31   7.135  -4.806   8.578
  195    HG2  ARG  31           HG2      ARG  31   7.026  -5.374  10.806
  196    HG3  ARG  31           HG1      ARG  31   8.021  -3.917  10.844
  197    HD2  ARG  31           HD2      ARG  31   6.195  -2.585  11.567
  198    HD3  ARG  31           HD1      ARG  31   5.038  -3.874  11.238
  199    HE   ARG  31           HE       ARG  31   6.549  -3.508  13.616
  200   HH11  ARG  31          HH11      ARG  31   5.234  -5.973  11.526
  201   HH12  ARG  31          HH12      ARG  31   5.117  -7.155  12.785
  202   HH21  ARG  31          HH21      ARG  31   6.396  -5.061  15.274
  203   HH22  ARG  31          HH22      ARG  31   5.776  -6.637  14.914
  204    HA   PRO  32           HA       PRO  32   6.503  -1.369   4.755
  205    HB2  PRO  32           HB2      PRO  32   8.656   0.036   3.920
  206    HB3  PRO  32           HB1      PRO  32   7.379   0.757   4.909
  207    HG2  PRO  32           HG2      PRO  32  10.063  -0.276   5.740
  208    HG3  PRO  32           HG1      PRO  32   9.230   1.207   6.243
  209    HD2  PRO  32           HD2      PRO  32   9.278  -1.053   7.756
  210    HD3  PRO  32           HD1      PRO  32   7.930   0.103   7.785
  211    H    HIS  33           HN       HIS  33   6.687  -3.603   4.229
  212    HA   HIS  33           HA       HIS  33   8.850  -4.172   2.435
  213    HB2  HIS  33           HB2      HIS  33   8.843  -5.296   5.157
  214    HB3  HIS  33           HB1      HIS  33   9.039  -6.490   3.878
  215    HD1  HIS  33           HD1      HIS  33  10.812  -3.788   5.667
  216    HD2  HIS  33           HD2      HIS  33  11.397  -6.153   2.302
  217    HE1  HIS  33           HE1      HIS  33  13.239  -3.514   5.067
  218    HE2  HIS  33           HE2      HIS  33  13.592  -5.031   3.085
  219    H    SER  34           HN       SER  34   6.558  -3.972   1.448
  220    HA   SER  34           HA       SER  34   5.750  -6.603   0.705
  221    HB2  SER  34           HB2      SER  34   3.822  -4.857   2.247
  222    HB3  SER  34           HB1      SER  34   3.349  -6.290   1.335
  223    HG   SER  34           HG       SER  34   3.753  -6.611   3.637
  224    H    ASP  35           HN       ASP  35   4.656  -6.643  -1.233
  225    HA   ASP  35           HA       ASP  35   5.049  -4.554  -3.013
  226    HB2  ASP  35           HB2      ASP  35   4.648  -6.901  -3.683
  227    HB3  ASP  35           HB1      ASP  35   2.961  -6.736  -3.207
  228    H    PHE  36           HN       PHE  36   2.190  -5.335  -1.084
  229    HA   PHE  36           HA       PHE  36   0.479  -3.436  -2.274
  230    HB2  PHE  36           HB2      PHE  36  -1.009  -3.828  -0.460
  231    HB3  PHE  36           HB1      PHE  36  -0.218  -5.362  -0.797
  232    HD1  PHE  36           HD2      PHE  36  -0.354  -2.506   1.524
  233    HD2  PHE  36           HD1      PHE  36   1.129  -6.434   0.831
  234    HE1  PHE  36           HE2      PHE  36   0.311  -2.667   3.887
  235    HE2  PHE  36           HE1      PHE  36   1.795  -6.604   3.195
  236    HZ   PHE  36           HZ       PHE  36   1.387  -4.718   4.725
  237    H    CYS  37           HN       CYS  37   3.156  -3.054  -0.204
  238    HA   CYS  37           HA       CYS  37   2.267  -0.514   0.882
  239    HB2  CYS  37           HB2      CYS  37   4.871  -2.027   1.138
  240    HB3  CYS  37           HB1      CYS  37   4.568  -0.469   1.896
  241    H    LEU  38           HN       LEU  38   4.940  -1.644  -1.202
  242    HA   LEU  38           HA       LEU  38   5.844   0.920  -1.910
  243    HB2  LEU  38           HB2      LEU  38   6.820  -0.279  -3.929
  244    HB3  LEU  38           HB1      LEU  38   7.328  -0.834  -2.347
  245    HG   LEU  38           HG       LEU  38   5.132  -2.438  -2.962
  246   HD11  LEU  38          HD11      LEU  38   5.977  -3.408  -5.174
  247   HD12  LEU  38          HD12      LEU  38   6.785  -1.855  -5.393
  248   HD13  LEU  38          HD13      LEU  38   5.029  -1.921  -5.234
  249   HD21  LEU  38          HD21      LEU  38   6.779  -3.562  -1.887
  250   HD22  LEU  38          HD22      LEU  38   8.068  -2.730  -2.758
  251   HD23  LEU  38          HD23      LEU  38   7.188  -4.048  -3.532
  252    H    GLY  39           HN       GLY  39   3.068  -0.840  -2.887
  253    HA2  GLY  39           HA2      GLY  39   2.721   0.745  -5.318
  254    HA3  GLY  39           HA1      GLY  39   1.714  -0.601  -4.805
  255    H    CYS  40           HN       CYS  40   1.416   0.438  -2.076
  256    HA   CYS  40           HA       CYS  40  -0.904   2.016  -2.502
  257    HB2  CYS  40           HB2      CYS  40  -0.668   0.492  -0.584
  258    HB3  CYS  40           HB1      CYS  40   0.622   1.501   0.060
  259    H    ALA  41           HN       ALA  41   2.382   2.759  -1.442
  260    HA   ALA  41           HA       ALA  41   1.994   5.425  -0.697
  261    HB1  ALA  41           HB1      ALA  41   4.103   3.754  -0.654
  262    HB2  ALA  41           HB2      ALA  41   4.234   5.498  -0.432
  263    HB3  ALA  41           HB3      ALA  41   4.554   4.785  -2.012
  264    H    ALA  42           HN       ALA  42   1.459   7.164  -1.832
  265    HA   ALA  42           HA       ALA  42   1.685   7.062  -4.758
  266    HB1  ALA  42           HB1      ALA  42   0.168   9.233  -4.345
  267    HB2  ALA  42           HB2      ALA  42  -0.208   8.330  -2.878
  268    HB3  ALA  42           HB3      ALA  42  -0.492   7.601  -4.459
  269    H    ALA  43           HN       ALA  43   4.004   7.530  -4.552
  270    HA   ALA  43           HA       ALA  43   5.776   8.936  -4.778
  271    HB1  ALA  43           HB1      ALA  43   4.969  11.473  -5.086
  272    HB2  ALA  43           HB2      ALA  43   3.460  10.638  -5.453
  273    HB3  ALA  43           HB3      ALA  43   4.915  10.277  -6.382
  274    HA   PRO  44           HA       PRO  44   6.776  10.283  -0.699
  275    HB2  PRO  44           HB2      PRO  44   8.537  12.301  -1.978
  276    HB3  PRO  44           HB1      PRO  44   8.937  11.039  -0.808
  277    HG2  PRO  44           HG2      PRO  44   9.638  10.805  -3.372
  278    HG3  PRO  44           HG1      PRO  44   9.100   9.398  -2.436
  279    HD2  PRO  44           HD2      PRO  44   7.613  11.004  -4.473
  280    HD3  PRO  44           HD1      PRO  44   7.597   9.252  -4.185
  281    HA   PRO  45           HA       PRO  45   4.266  13.939  -0.199
  282    HB2  PRO  45           HB2      PRO  45   4.378  14.153   2.471
  283    HB3  PRO  45           HB1      PRO  45   3.496  12.838   1.686
  284    HG2  PRO  45           HG2      PRO  45   6.217  12.818   2.931
  285    HG3  PRO  45           HG1      PRO  45   4.928  11.606   3.039
  286    HD2  PRO  45           HD2      PRO  45   7.082  11.409   1.348
  287    HD3  PRO  45           HD1      PRO  45   5.516  10.630   1.054
  288    H    ALA  46           HN       ALA  46   4.437  16.146   0.480
  289    HA   ALA  46           HA       ALA  46   5.499  18.150   0.665
  290    HB1  ALA  46           HB1      ALA  46   7.617  18.086   2.146
  291    HB2  ALA  46           HB2      ALA  46   7.177  16.400   2.418
  292    HB3  ALA  46           HB3      ALA  46   6.057  17.686   2.866
  293    HA   PRO  47           HA       PRO  47   8.044  17.482  -3.079
  294    HB2  PRO  47           HB2      PRO  47   7.753  20.450  -2.990
  295    HB3  PRO  47           HB1      PRO  47   7.561  19.341  -4.352
  296    HG2  PRO  47           HG2      PRO  47   5.432  20.391  -3.153
  297    HG3  PRO  47           HG1      PRO  47   5.425  18.707  -3.706
  298    HD2  PRO  47           HD2      PRO  47   5.687  19.795  -0.942
  299    HD3  PRO  47           HD1      PRO  47   4.889  18.311  -1.502
  300    H    PHE  48           HN       PHE  48  10.212  17.515  -3.256
  301    HA   PHE  48           HA       PHE  48  11.716  19.057  -1.252
  302    HB2  PHE  48           HB2      PHE  48  12.477  16.550  -2.764
  303    HB3  PHE  48           HB1      PHE  48  13.544  17.413  -1.661
  304    HD1  PHE  48           HD2      PHE  48  12.831  17.635   0.760
  305    HD2  PHE  48           HD1      PHE  48  10.970  14.957  -1.973
  306    HE1  PHE  48           HE2      PHE  48  11.925  16.343   2.649
  307    HE2  PHE  48           HE1      PHE  48  10.060  13.661  -0.091
  308    HZ   PHE  48           HZ       PHE  48  10.538  14.353   2.224
  309    H    ARG  49           HN       ARG  49  11.436  18.326  -4.668
  310    HA   ARG  49           HA       ARG  49  13.786  19.764  -5.443
  311    HB2  ARG  49           HB2      ARG  49  11.410  18.773  -7.023
  312    HB3  ARG  49           HB1      ARG  49  12.811  19.549  -7.749
  313    HG2  ARG  49           HG2      ARG  49  13.832  17.593  -7.848
  314    HG3  ARG  49           HG1      ARG  49  13.777  17.482  -6.088
  315    HD2  ARG  49           HD2      ARG  49  12.500  15.675  -6.397
  316    HD3  ARG  49           HD1      ARG  49  11.217  16.805  -6.825
  317    HE   ARG  49           HE       ARG  49  12.512  16.438  -9.167
  318   HH11  ARG  49          HH11      ARG  49  11.177  14.233  -6.815
  319   HH12  ARG  49          HH12      ARG  49  10.816  13.008  -7.984
  320   HH21  ARG  49          HH21      ARG  49  12.037  14.828 -10.707
  321   HH22  ARG  49          HH22      ARG  49  11.302  13.346 -10.194
  322    H    LEU  50           HN       LEU  50  14.006  21.840  -6.099
  323    HA   LEU  50           HA       LEU  50  11.635  23.563  -5.829
  324    HB2  LEU  50           HB2      LEU  50  14.556  24.052  -5.329
  325    HB3  LEU  50           HB1      LEU  50  13.442  25.384  -5.575
  326    HG   LEU  50           HG       LEU  50  13.028  23.303  -3.437
  327   HD11  LEU  50          HD11      LEU  50  14.581  25.872  -3.350
  328   HD12  LEU  50          HD12      LEU  50  15.096  24.260  -2.855
  329   HD13  LEU  50          HD13      LEU  50  13.892  25.132  -1.906
  330   HD21  LEU  50          HD21      LEU  50  11.176  24.883  -4.346
  331   HD22  LEU  50          HD22      LEU  50  12.026  26.119  -3.418
  332   HD23  LEU  50          HD23      LEU  50  11.381  24.693  -2.605
  333    H    LEU  51           HN       LEU  51  10.887  24.551  -7.582
  334    HA   LEU  51           HA       LEU  51  12.708  24.973  -9.853
  335    HB2  LEU  51           HB2      LEU  51  10.298  23.355  -9.740
  336    HB3  LEU  51           HB1      LEU  51  10.191  24.591 -10.978
  337    HG   LEU  51           HG       LEU  51  12.507  22.673 -10.772
  338   HD11  LEU  51          HD11      LEU  51  10.468  22.334 -12.881
  339   HD12  LEU  51          HD12      LEU  51  10.020  21.815 -11.256
  340   HD13  LEU  51          HD13      LEU  51  11.444  21.131 -12.038
  341   HD21  LEU  51          HD21      LEU  51  13.230  24.431 -12.074
  342   HD22  LEU  51          HD22      LEU  51  11.621  24.754 -12.720
  343   HD23  LEU  51          HD23      LEU  51  12.535  23.356 -13.286
  344    H    TRP  52           HN       TRP  52  11.606  26.488 -11.513
  345    HA   TRP  52           HA       TRP  52  11.216  28.977 -10.313
  346    HB2  TRP  52           HB2      TRP  52  10.307  28.161 -13.077
  347    HB3  TRP  52           HB1      TRP  52  10.663  29.793 -12.523
  348    HD1  TRP  52           HD1      TRP  52  12.345  26.611 -13.744
  349    HE1  TRP  52           HE1      TRP  52  14.839  27.090 -14.164
  350    HE3  TRP  52           HE3      TRP  52  12.627  31.292 -11.707
  351    HZ2  TRP  52           HZ2      TRP  52  16.682  29.176 -13.694
  352    HZ3  TRP  52           HZ3      TRP  52  14.792  32.460 -11.731
  353    HH2  TRP  52           HH2      TRP  52  16.777  31.422 -12.704
  354    HA   PRO  53           HA       PRO  53   6.925  28.233  -9.083
  355    HB2  PRO  53           HB2      PRO  53   6.666  30.501  -7.614
  356    HB3  PRO  53           HB1      PRO  53   7.471  29.050  -7.005
  357    HG2  PRO  53           HG2      PRO  53   8.671  31.537  -8.160
  358    HG3  PRO  53           HG1      PRO  53   9.178  30.607  -6.738
  359    HD2  PRO  53           HD2      PRO  53  10.414  30.384  -9.134
  360    HD3  PRO  53           HD1      PRO  53  10.266  29.019  -8.009
  Start of MODEL   12
    1    H1   GLU   1           HT1      GLU   1 -12.159  -8.732 -16.516
    2    H2   GLU   1           HT2      GLU   1 -13.871  -8.815 -16.423
    3    H3   GLU   1           HT3      GLU   1 -13.098  -7.316 -16.744
    4    HA   GLU   1           HA       GLU   1 -13.038  -9.691 -18.480
    5    HB2  GLU   1           HB2      GLU   1 -14.902  -7.453 -18.146
    6    HB3  GLU   1           HB1      GLU   1 -14.329  -7.640 -19.798
    7    HG2  GLU   1           HG2      GLU   1 -15.459  -9.556 -20.116
    8    HG3  GLU   1           HG1      GLU   1 -15.186 -10.118 -18.468
    9    H    GLN   2           HN       GLN   2 -12.091  -9.276 -20.548
   10    HA   GLN   2           HA       GLN   2 -10.550  -8.432 -21.994
   11    HB2  GLN   2           HB2      GLN   2 -10.639  -5.865 -20.411
   12    HB3  GLN   2           HB1      GLN   2 -10.132  -6.077 -22.081
   13    HG2  GLN   2           HG2      GLN   2 -12.561  -6.926 -22.433
   14    HG3  GLN   2           HG1      GLN   2 -12.880  -6.070 -20.924
   15   HE21  GLN   2          HE21      GLN   2 -11.590  -3.823 -20.999
   16   HE22  GLN   2          HE22      GLN   2 -11.982  -2.868 -22.385
   17    H    ALA   3           HN       ALA   3  -9.737  -6.856 -18.895
   18    HA   ALA   3           HA       ALA   3  -6.975  -7.118 -19.142
   19    HB1  ALA   3           HB1      ALA   3  -8.053  -7.251 -16.402
   20    HB2  ALA   3           HB2      ALA   3  -8.592  -5.886 -17.379
   21    HB3  ALA   3           HB3      ALA   3  -6.870  -6.149 -17.109
   22    HA   PRO   4           HA       PRO   4  -6.000 -11.384 -18.554
   23    HB2  PRO   4           HB2      PRO   4  -3.854 -10.395 -16.740
   24    HB3  PRO   4           HB1      PRO   4  -3.740 -11.474 -18.135
   25    HG2  PRO   4           HG2      PRO   4  -2.936  -8.942 -18.308
   26    HG3  PRO   4           HG1      PRO   4  -3.780  -9.726 -19.658
   27    HD2  PRO   4           HD2      PRO   4  -4.804  -7.741 -17.677
   28    HD3  PRO   4           HD1      PRO   4  -5.183  -7.914 -19.402
   29    H    GLY   5           HN       GLY   5  -5.247  -9.657 -15.518
   30    HA2  GLY   5           HA2      GLY   5  -7.332 -11.069 -14.100
   31    HA3  GLY   5           HA1      GLY   5  -5.707 -11.597 -13.691
   32    H    THR   6           HN       THR   6  -8.044  -9.885 -12.450
   33    HA   THR   6           HA       THR   6  -6.211  -8.055 -11.091
   34    HB   THR   6           HB       THR   6  -8.907  -7.135 -12.092
   35    HG1  THR   6           HG1      THR   6  -6.362  -6.517 -13.171
   36   HG21  THR   6          HG21      THR   6  -7.057  -6.013 -10.257
   37   HG22  THR   6          HG22      THR   6  -8.581  -5.347 -10.845
   38   HG23  THR   6          HG23      THR   6  -7.082  -5.019 -11.714
   39    H    ALA   7           HN       ALA   7  -6.581  -7.885  -8.947
   40    HA   ALA   7           HA       ALA   7  -8.635  -9.583  -7.809
   41    HB1  ALA   7           HB1      ALA   7  -7.432  -8.551  -5.649
   42    HB2  ALA   7           HB2      ALA   7  -6.156  -8.304  -6.840
   43    HB3  ALA   7           HB3      ALA   7  -6.787  -9.924  -6.549
   44    HA   PRO   8           HA       PRO   8 -11.394  -6.215  -6.957
   45    HB2  PRO   8           HB2      PRO   8 -13.091  -7.431  -5.278
   46    HB3  PRO   8           HB1      PRO   8 -12.996  -7.888  -6.983
   47    HG2  PRO   8           HG2      PRO   8 -11.799  -9.231  -4.592
   48    HG3  PRO   8           HG1      PRO   8 -12.606  -9.954  -5.994
   49    HD2  PRO   8           HD2      PRO   8  -9.878  -9.795  -5.698
   50    HD3  PRO   8           HD1      PRO   8 -10.704  -9.901  -7.264
   51    H    CYS   9           HN       CYS   9  -9.087  -5.719  -5.628
   52    HA   CYS   9           HA       CYS   9  -9.302  -5.737  -2.808
   53    HB2  CYS   9           HB2      CYS   9  -7.342  -5.053  -4.703
   54    HB3  CYS   9           HB1      CYS   9  -7.626  -3.590  -3.766
   55    H    SER  10           HN       SER  10 -10.352  -3.523  -5.290
   56    HA   SER  10           HA       SER  10 -11.654  -1.660  -5.240
   57    HB2  SER  10           HB2      SER  10 -12.307  -2.609  -2.440
   58    HB3  SER  10           HB1      SER  10 -13.200  -1.381  -3.337
   59    HG   SER  10           HG       SER  10 -14.034  -3.613  -3.404
   60    H    ARG  11           HN       ARG  11 -12.118   0.393  -3.772
   61    HA   ARG  11           HA       ARG  11  -9.611   1.635  -3.367
   62    HB2  ARG  11           HB2      ARG  11 -11.939   2.659  -3.956
   63    HB3  ARG  11           HB1      ARG  11 -12.155   2.724  -2.213
   64    HG2  ARG  11           HG2      ARG  11 -11.345   4.838  -2.872
   65    HG3  ARG  11           HG1      ARG  11  -9.993   4.006  -2.102
   66    HD2  ARG  11           HD2      ARG  11  -9.177   5.076  -4.078
   67    HD3  ARG  11           HD1      ARG  11  -9.203   3.337  -4.368
   68    HE   ARG  11           HE       ARG  11 -11.576   4.695  -5.255
   69   HH11  ARG  11          HH11      ARG  11  -8.329   3.748  -6.117
   70   HH12  ARG  11          HH12      ARG  11  -8.635   3.796  -7.821
   71   HH21  ARG  11          HH21      ARG  11 -11.979   4.758  -7.496
   72   HH22  ARG  11          HH22      ARG  11 -10.707   4.369  -8.604
   73    H    GLY  12           HN       GLY  12  -8.557   2.269  -1.498
   74    HA2  GLY  12           HA2      GLY  12  -8.561   2.544   0.924
   75    HA3  GLY  12           HA1      GLY  12  -9.591   1.125   1.021
   76    H    SER  13           HN       SER  13  -8.507  -0.866  -0.125
   77    HA   SER  13           HA       SER  13  -5.898  -1.162   1.153
   78    HB2  SER  13           HB2      SER  13  -6.245  -3.530   1.010
   79    HB3  SER  13           HB1      SER  13  -7.769  -2.819   1.543
   80    HG   SER  13           HG       SER  13  -8.624  -3.747  -0.123
   81    H    SER  14           HN       SER  14  -4.795  -3.206  -0.322
   82    HA   SER  14           HA       SER  14  -4.688  -2.510  -3.097
   83    HB2  SER  14           HB2      SER  14  -2.556  -1.620  -1.204
   84    HB3  SER  14           HB1      SER  14  -2.082  -2.150  -2.818
   85    HG   SER  14           HG       SER  14  -2.596  -0.188  -3.364
   86    H    TRP  15           HN       TRP  15  -4.118  -4.221  -4.289
   87    HA   TRP  15           HA       TRP  15  -3.746  -6.749  -3.130
   88    HB2  TRP  15           HB2      TRP  15  -4.650  -6.853  -5.262
   89    HB3  TRP  15           HB1      TRP  15  -3.554  -5.636  -5.901
   90    HD1  TRP  15           HD1      TRP  15  -1.382  -6.467  -7.072
   91    HE1  TRP  15           HE1      TRP  15  -0.418  -8.790  -7.618
   92    HE3  TRP  15           HE3      TRP  15  -4.528  -9.344  -4.249
   93    HZ2  TRP  15           HZ2      TRP  15  -0.925 -11.478  -6.941
   94    HZ3  TRP  15           HZ3      TRP  15  -4.223 -11.782  -4.256
   95    HH2  TRP  15           HH2      TRP  15  -2.458 -12.828  -5.576
   96    H    SER  16           HN       SER  16  -1.853  -8.198  -3.509
   97    HA   SER  16           HA       SER  16   0.695  -6.808  -3.633
   98    HB2  SER  16           HB2      SER  16   1.021  -8.764  -1.623
   99    HB3  SER  16           HB1      SER  16   1.079  -7.011  -1.437
  100    HG   SER  16           HG       SER  16  -0.604  -8.505  -0.281
  101    H    ALA  17           HN       ALA  17   2.306  -7.944  -4.598
  102    HA   ALA  17           HA       ALA  17   1.561 -10.537  -5.729
  103    HB1  ALA  17           HB1      ALA  17   3.459  -8.384  -6.506
  104    HB2  ALA  17           HB2      ALA  17   2.284  -9.265  -7.484
  105    HB3  ALA  17           HB3      ALA  17   3.802 -10.036  -7.021
  106    H    ASP  18           HN       ASP  18   3.700  -9.114  -3.418
  107    HA   ASP  18           HA       ASP  18   5.781 -10.951  -3.337
  108    HB2  ASP  18           HB2      ASP  18   4.885  -8.792  -1.757
  109    HB3  ASP  18           HB1      ASP  18   5.065 -10.158  -0.661
  110    H    LEU  19           HN       LEU  19   2.541 -11.145  -1.985
  111    HA   LEU  19           HA       LEU  19   3.034 -13.975  -1.398
  112    HB2  LEU  19           HB2      LEU  19   3.124 -12.576   0.685
  113    HB3  LEU  19           HB1      LEU  19   1.453 -12.140   0.399
  114    HG   LEU  19           HG       LEU  19   2.194 -14.123   2.038
  115   HD11  LEU  19          HD11      LEU  19  -0.199 -15.071   0.965
  116   HD12  LEU  19          HD12      LEU  19  -0.210 -13.332   0.672
  117   HD13  LEU  19          HD13      LEU  19   0.005 -13.950   2.309
  118   HD21  LEU  19          HD21      LEU  19   1.519 -15.627  -0.475
  119   HD22  LEU  19          HD22      LEU  19   2.078 -16.263   1.072
  120   HD23  LEU  19          HD23      LEU  19   3.182 -15.352   0.042
  121    H    ASP  20           HN       ASP  20   1.610 -12.278  -3.493
  122    HA   ASP  20           HA       ASP  20  -0.384 -12.191  -4.621
  123    HB2  ASP  20           HB2      ASP  20   0.532 -14.907  -4.303
  124    HB3  ASP  20           HB1      ASP  20  -1.223 -14.875  -4.432
  125    H    LYS  21           HN       LYS  21  -1.366 -10.928  -2.858
  126    HA   LYS  21           HA       LYS  21  -3.923 -11.938  -2.208
  127    HB2  LYS  21           HB2      LYS  21  -1.806 -12.340  -0.253
  128    HB3  LYS  21           HB1      LYS  21  -3.123 -11.375   0.400
  129    HG2  LYS  21           HG2      LYS  21  -3.729 -13.906  -1.057
  130    HG3  LYS  21           HG1      LYS  21  -3.167 -13.963   0.615
  131    HD2  LYS  21           HD2      LYS  21  -5.006 -12.493   1.284
  132    HD3  LYS  21           HD1      LYS  21  -5.564 -12.426  -0.390
  133    HE2  LYS  21           HE2      LYS  21  -5.350 -14.942   1.258
  134    HE3  LYS  21           HE1      LYS  21  -6.837 -14.029   1.005
  135    HZ1  LYS  21           HZ1      LYS  21  -5.874 -16.045  -0.577
  136    HZ2  LYS  21           HZ2      LYS  21  -5.538 -14.642  -1.460
  137    HZ3  LYS  21           HZ3      LYS  21  -7.123 -14.973  -0.969
  138    H    CYS  22           HN       CYS  22  -5.071 -10.350  -0.646
  139    HA   CYS  22           HA       CYS  22  -4.248  -7.646  -1.441
  140    HB2  CYS  22           HB2      CYS  22  -6.838  -8.994  -1.115
  141    HB3  CYS  22           HB1      CYS  22  -6.781  -7.380  -0.412
  142    H    MET  23           HN       MET  23  -3.997  -6.016   0.045
  143    HA   MET  23           HA       MET  23  -4.527  -6.523   2.837
  144    HB2  MET  23           HB2      MET  23  -2.201  -7.383   2.309
  145    HB3  MET  23           HB1      MET  23  -1.754  -5.715   1.977
  146    HG2  MET  23           HG2      MET  23  -1.180  -5.645   4.125
  147    HG3  MET  23           HG1      MET  23  -2.909  -5.495   4.428
  148    HE1  MET  23           HE1      MET  23   0.111  -6.822   5.146
  149    HE2  MET  23           HE2      MET  23   0.070  -8.580   5.283
  150    HE3  MET  23           HE3      MET  23  -0.426  -7.577   6.646
  151    H    ASP  24           HN       ASP  24  -4.858  -4.680   4.028
  152    HA   ASP  24           HA       ASP  24  -5.616  -2.357   2.672
  153    HB2  ASP  24           HB2      ASP  24  -5.833  -3.335   5.276
  154    HB3  ASP  24           HB1      ASP  24  -4.921  -1.838   5.446
  155    H    CYS  25           HN       CYS  25  -4.734  -0.220   2.760
  156    HA   CYS  25           HA       CYS  25  -1.969  -0.127   2.154
  157    HB2  CYS  25           HB2      CYS  25  -3.749   1.412   1.246
  158    HB3  CYS  25           HB1      CYS  25  -3.755   2.221   2.809
  159    H    ALA  26           HN       ALA  26  -3.794   0.389   5.072
  160    HA   ALA  26           HA       ALA  26  -1.547   1.607   6.453
  161    HB1  ALA  26           HB1      ALA  26  -3.905   0.769   8.007
  162    HB2  ALA  26           HB2      ALA  26  -4.204   1.955   6.736
  163    HB3  ALA  26           HB3      ALA  26  -3.029   2.300   8.004
  164    H    SER  27           HN       SER  27   0.047   0.148   6.782
  165    HA   SER  27           HA       SER  27  -0.274  -1.798   8.807
  166    HB2  SER  27           HB2      SER  27   0.357  -3.788   7.381
  167    HB3  SER  27           HB1      SER  27  -1.282  -3.185   7.134
  168    HG   SER  27           HG       SER  27  -0.780  -2.632   5.161
  169    H    CYS  28           HN       CYS  28   1.672  -0.810   6.017
  170    HA   CYS  28           HA       CYS  28   4.118  -1.584   7.331
  171    HB2  CYS  28           HB2      CYS  28   5.227  -0.900   5.283
  172    HB3  CYS  28           HB1      CYS  28   3.833  -1.903   4.895
  173    H    ARG  29           HN       ARG  29   3.032   0.158   8.987
  174    HA   ARG  29           HA       ARG  29   3.742   2.878   8.432
  175    HB2  ARG  29           HB2      ARG  29   2.976   1.546  11.034
  176    HB3  ARG  29           HB1      ARG  29   3.116   3.280  10.785
  177    HG2  ARG  29           HG2      ARG  29   1.377   2.806   8.866
  178    HG3  ARG  29           HG1      ARG  29   1.020   1.390   9.857
  179    HD2  ARG  29           HD2      ARG  29   1.191   3.570  11.626
  180    HD3  ARG  29           HD1      ARG  29   0.244   4.126  10.246
  181    HE   ARG  29           HE       ARG  29  -1.448   2.715  10.877
  182   HH11  ARG  29          HH11      ARG  29   1.456   1.852  12.606
  183   HH12  ARG  29          HH12      ARG  29   0.649   0.735  13.656
  184   HH21  ARG  29          HH21      ARG  29  -2.512   1.248  12.257
  185   HH22  ARG  29          HH22      ARG  29  -1.603   0.394  13.458
  186    H    ALA  30           HN       ALA  30   5.124   0.256  10.367
  187    HA   ALA  30           HA       ALA  30   7.561   1.886  10.680
  188    HB1  ALA  30           HB1      ALA  30   6.177   1.258  12.765
  189    HB2  ALA  30           HB2      ALA  30   7.927   1.033  12.806
  190    HB3  ALA  30           HB3      ALA  30   6.865  -0.351  12.543
  191    H    ARG  31           HN       ARG  31   6.230  -1.229   9.815
  192    HA   ARG  31           HA       ARG  31   8.932  -2.226   9.234
  193    HB2  ARG  31           HB2      ARG  31   7.929  -4.458   9.190
  194    HB3  ARG  31           HB1      ARG  31   7.607  -3.644  10.715
  195    HG2  ARG  31           HG2      ARG  31   5.448  -3.010   9.053
  196    HG3  ARG  31           HG1      ARG  31   5.766  -4.727   8.799
  197    HD2  ARG  31           HD2      ARG  31   5.478  -3.450  11.513
  198    HD3  ARG  31           HD1      ARG  31   4.150  -4.216  10.643
  199    HE   ARG  31           HE       ARG  31   6.201  -5.523  12.116
  200   HH11  ARG  31          HH11      ARG  31   4.167  -5.853   9.298
  201   HH12  ARG  31          HH12      ARG  31   4.212  -7.585   9.315
  202   HH21  ARG  31          HH21      ARG  31   6.260  -7.799  12.139
  203   HH22  ARG  31          HH22      ARG  31   5.400  -8.690  10.927
  204    HA   PRO  32           HA       PRO  32   7.335  -1.323   5.025
  205    HB2  PRO  32           HB2      PRO  32   9.667  -0.488   3.985
  206    HB3  PRO  32           HB1      PRO  32   8.668   0.570   4.990
  207    HG2  PRO  32           HG2      PRO  32  11.102  -1.006   5.737
  208    HG3  PRO  32           HG1      PRO  32  10.674   0.661   6.167
  209    HD2  PRO  32           HD2      PRO  32  10.308  -1.470   7.839
  210    HD3  PRO  32           HD1      PRO  32   9.308  -0.004   7.885
  211    H    HIS  33           HN       HIS  33   6.998  -3.563   4.652
  212    HA   HIS  33           HA       HIS  33   8.976  -4.759   2.940
  213    HB2  HIS  33           HB2      HIS  33   8.300  -6.015   5.603
  214    HB3  HIS  33           HB1      HIS  33   9.010  -6.915   4.268
  215    HD1  HIS  33           HD1      HIS  33  11.409  -5.891   3.420
  216    HD2  HIS  33           HD2      HIS  33  10.120  -4.835   7.227
  217    HE1  HIS  33           HE1      HIS  33  13.460  -5.065   4.619
  218    HE2  HIS  33           HE2      HIS  33  12.643  -4.370   6.899
  219    H    SER  34           HN       SER  34   6.783  -4.067   1.893
  220    HA   SER  34           HA       SER  34   5.389  -6.493   1.309
  221    HB2  SER  34           HB2      SER  34   4.142  -4.398   3.009
  222    HB3  SER  34           HB1      SER  34   3.133  -5.132   1.762
  223    HG   SER  34           HG       SER  34   3.843  -7.197   2.677
  224    H    ASP  35           HN       ASP  35   4.490  -6.471  -0.693
  225    HA   ASP  35           HA       ASP  35   5.184  -4.313  -2.417
  226    HB2  ASP  35           HB2      ASP  35   4.065  -7.029  -2.715
  227    HB3  ASP  35           HB1      ASP  35   3.604  -5.878  -3.966
  228    H    PHE  36           HN       PHE  36   2.218  -5.440  -0.905
  229    HA   PHE  36           HA       PHE  36   0.365  -4.023  -2.425
  230    HB2  PHE  36           HB2      PHE  36  -1.113  -4.150  -0.431
  231    HB3  PHE  36           HB1      PHE  36  -0.375  -5.691  -0.849
  232    HD1  PHE  36           HD2      PHE  36   0.237  -2.734   1.344
  233    HD2  PHE  36           HD1      PHE  36   0.543  -6.949   0.834
  234    HE1  PHE  36           HE2      PHE  36   1.067  -2.950   3.650
  235    HE2  PHE  36           HE1      PHE  36   1.372  -7.171   3.140
  236    HZ   PHE  36           HZ       PHE  36   1.635  -5.169   4.551
  237    H    CYS  37           HN       CYS  37   2.568  -2.909   0.018
  238    HA   CYS  37           HA       CYS  37   1.233  -0.397   0.434
  239    HB2  CYS  37           HB2      CYS  37   3.654  -1.735   1.446
  240    HB3  CYS  37           HB1      CYS  37   3.787   0.015   1.319
  241    H    LEU  38           HN       LEU  38   3.970  -1.558  -1.467
  242    HA   LEU  38           HA       LEU  38   4.802   0.965  -2.430
  243    HB2  LEU  38           HB2      LEU  38   5.239  -1.871  -3.239
  244    HB3  LEU  38           HB1      LEU  38   5.659  -0.610  -4.384
  245    HG   LEU  38           HG       LEU  38   7.607  -1.299  -3.093
  246   HD11  LEU  38          HD11      LEU  38   6.900   1.230  -3.665
  247   HD12  LEU  38          HD12      LEU  38   8.438   0.789  -2.922
  248   HD13  LEU  38          HD13      LEU  38   7.103   1.356  -1.918
  249   HD21  LEU  38          HD21      LEU  38   5.937  -1.686  -1.022
  250   HD22  LEU  38          HD22      LEU  38   6.612  -0.117  -0.581
  251   HD23  LEU  38          HD23      LEU  38   7.682  -1.493  -0.845
  252    H    GLY  39           HN       GLY  39   2.217  -1.169  -3.305
  253    HA2  GLY  39           HA2      GLY  39   1.776   0.081  -5.887
  254    HA3  GLY  39           HA1      GLY  39   0.802  -1.186  -5.155
  255    H    CYS  40           HN       CYS  40   0.596   0.380  -2.626
  256    HA   CYS  40           HA       CYS  40  -1.852   1.655  -3.143
  257    HB2  CYS  40           HB2      CYS  40  -1.269   0.787  -0.931
  258    HB3  CYS  40           HB1      CYS  40   0.021   1.976  -0.788
  259    H    ALA  41           HN       ALA  41   1.434   2.840  -3.009
  260    HA   ALA  41           HA       ALA  41   0.700   5.605  -3.113
  261    HB1  ALA  41           HB1      ALA  41   2.745   5.674  -2.228
  262    HB2  ALA  41           HB2      ALA  41   3.349   5.456  -3.870
  263    HB3  ALA  41           HB3      ALA  41   3.136   4.058  -2.815
  264    H    ALA  42           HN       ALA  42  -0.255   6.358  -4.906
  265    HA   ALA  42           HA       ALA  42  -0.076   5.250  -7.464
  266    HB1  ALA  42           HB1      ALA  42  -1.523   6.867  -8.083
  267    HB2  ALA  42           HB2      ALA  42  -0.583   8.151  -7.322
  268    HB3  ALA  42           HB3      ALA  42  -1.639   7.132  -6.343
  269    H    ALA  43           HN       ALA  43   1.424   5.333  -9.003
  270    HA   ALA  43           HA       ALA  43   3.496   7.422  -8.831
  271    HB1  ALA  43           HB1      ALA  43   4.874   5.501 -10.042
  272    HB2  ALA  43           HB2      ALA  43   3.749   4.485  -9.140
  273    HB3  ALA  43           HB3      ALA  43   4.782   5.630  -8.285
  274    HA   PRO  44           HA       PRO  44   1.736   8.422 -12.866
  275    HB2  PRO  44           HB2      PRO  44   4.182  10.109 -12.951
  276    HB3  PRO  44           HB1      PRO  44   2.500  10.548 -13.258
  277    HG2  PRO  44           HG2      PRO  44   3.702  11.263 -10.989
  278    HG3  PRO  44           HG1      PRO  44   2.003  10.756 -11.004
  279    HD2  PRO  44           HD2      PRO  44   4.425   9.247 -10.120
  280    HD3  PRO  44           HD1      PRO  44   2.788   9.256  -9.434
  281    HA   PRO  45           HA       PRO  45   5.732   7.167 -15.229
  282    HB2  PRO  45           HB2      PRO  45   7.929   6.450 -13.848
  283    HB3  PRO  45           HB1      PRO  45   7.577   8.135 -14.247
  284    HG2  PRO  45           HG2      PRO  45   7.140   6.664 -11.679
  285    HG3  PRO  45           HG1      PRO  45   7.770   8.302 -11.937
  286    HD2  PRO  45           HD2      PRO  45   5.193   7.774 -11.216
  287    HD3  PRO  45           HD1      PRO  45   5.673   9.205 -12.147
  288    H    ALA  46           HN       ALA  46   4.373   5.546 -12.597
  289    HA   ALA  46           HA       ALA  46   5.217   2.934 -13.668
  290    HB1  ALA  46           HB1      ALA  46   4.311   3.597 -10.868
  291    HB2  ALA  46           HB2      ALA  46   5.971   3.284 -11.375
  292    HB3  ALA  46           HB3      ALA  46   4.767   1.998 -11.454
  293    HA   PRO  47           HA       PRO  47   0.630   3.442 -14.394
  294    HB2  PRO  47           HB2      PRO  47   0.644   2.848 -17.028
  295    HB3  PRO  47           HB1      PRO  47   0.953   4.481 -16.425
  296    HG2  PRO  47           HG2      PRO  47   2.902   2.391 -17.319
  297    HG3  PRO  47           HG1      PRO  47   2.889   4.131 -17.667
  298    HD2  PRO  47           HD2      PRO  47   4.471   3.010 -15.759
  299    HD3  PRO  47           HD1      PRO  47   3.845   4.667 -15.647
  300    H    PHE  48           HN       PHE  48  -0.732   1.745 -15.817
  301    HA   PHE  48           HA       PHE  48   0.091  -0.886 -14.821
  302    HB2  PHE  48           HB2      PHE  48  -2.451   0.500 -15.073
  303    HB3  PHE  48           HB1      PHE  48  -2.514  -1.103 -15.799
  304    HD1  PHE  48           HD1      PHE  48  -1.723  -3.072 -14.375
  305    HD2  PHE  48           HD2      PHE  48  -2.641   0.763 -12.774
  306    HE1  PHE  48           HE1      PHE  48  -2.000  -4.073 -12.145
  307    HE2  PHE  48           HE2      PHE  48  -2.919  -0.232 -10.541
  308    HZ   PHE  48           HZ       PHE  48  -2.598  -2.653 -10.225
  309    H    ARG  49           HN       ARG  49  -1.004  -2.705 -16.296
  310    HA   ARG  49           HA       ARG  49  -0.828  -3.904 -18.220
  311    HB2  ARG  49           HB2      ARG  49  -1.024  -1.255 -19.656
  312    HB3  ARG  49           HB1      ARG  49  -1.472  -2.841 -20.270
  313    HG2  ARG  49           HG2      ARG  49  -2.835  -1.736 -17.854
  314    HG3  ARG  49           HG1      ARG  49  -3.312  -1.208 -19.469
  315    HD2  ARG  49           HD2      ARG  49  -4.338  -3.147 -19.923
  316    HD3  ARG  49           HD1      ARG  49  -3.035  -4.105 -19.219
  317    HE   ARG  49           HE       ARG  49  -4.198  -4.190 -17.242
  318   HH11  ARG  49          HH11      ARG  49  -5.646  -1.790 -19.322
  319   HH12  ARG  49          HH12      ARG  49  -7.036  -1.575 -18.313
  320   HH21  ARG  49          HH21      ARG  49  -6.026  -3.910 -15.916
  321   HH22  ARG  49          HH22      ARG  49  -7.253  -2.778 -16.380
  322    H    LEU  50           HN       LEU  50   0.369  -3.191 -20.716
  323    HA   LEU  50           HA       LEU  50   2.377  -3.092 -21.773
  324    HB2  LEU  50           HB2      LEU  50   2.694  -1.274 -19.523
  325    HB3  LEU  50           HB1      LEU  50   4.212  -2.020 -19.982
  326    HG   LEU  50           HG       LEU  50   2.397  -0.488 -21.847
  327   HD11  LEU  50          HD11      LEU  50   5.093   0.501 -21.200
  328   HD12  LEU  50          HD12      LEU  50   3.903   0.609 -19.902
  329   HD13  LEU  50          HD13      LEU  50   3.588   1.382 -21.456
  330   HD21  LEU  50          HD21      LEU  50   4.833  -2.119 -22.228
  331   HD22  LEU  50          HD22      LEU  50   4.766  -0.581 -23.089
  332   HD23  LEU  50          HD23      LEU  50   3.502  -1.785 -23.337
  333    H    LEU  51           HN       LEU  51   4.455  -4.149 -21.836
  334    HA   LEU  51           HA       LEU  51   4.463  -6.672 -20.661
  335    HB2  LEU  51           HB2      LEU  51   5.913  -5.414 -22.614
  336    HB3  LEU  51           HB1      LEU  51   7.118  -5.631 -21.359
  337    HG   LEU  51           HG       LEU  51   6.444  -8.084 -21.322
  338   HD11  LEU  51          HD11      LEU  51   4.326  -7.969 -22.427
  339   HD12  LEU  51          HD12      LEU  51   5.429  -8.896 -23.444
  340   HD13  LEU  51          HD13      LEU  51   5.054  -7.222 -23.850
  341   HD21  LEU  51          HD21      LEU  51   7.578  -8.338 -23.733
  342   HD22  LEU  51          HD22      LEU  51   8.480  -7.881 -22.288
  343   HD23  LEU  51          HD23      LEU  51   7.943  -6.641 -23.420
  344    H    TRP  52           HN       TRP  52   6.545  -7.464 -19.433
  345    HA   TRP  52           HA       TRP  52   6.377  -6.512 -16.817
  346    HB2  TRP  52           HB2      TRP  52   7.593  -8.664 -18.101
  347    HB3  TRP  52           HB1      TRP  52   8.933  -7.786 -17.371
  348    HD1  TRP  52           HD1      TRP  52   9.515  -8.973 -15.185
  349    HE1  TRP  52           HE1      TRP  52   8.195  -9.905 -13.181
  350    HE3  TRP  52           HE3      TRP  52   4.764  -8.152 -16.887
  351    HZ2  TRP  52           HZ2      TRP  52   5.498 -10.248 -12.424
  352    HZ3  TRP  52           HZ3      TRP  52   2.870  -8.812 -15.461
  353    HH2  TRP  52           HH2      TRP  52   3.231  -9.838 -13.276
  354    HA   PRO  53           HA       PRO  53  10.542  -4.197 -17.463
  355    HB2  PRO  53           HB2      PRO  53  11.551  -3.976 -19.959
  356    HB3  PRO  53           HB1      PRO  53  11.897  -5.361 -18.917
  357    HG2  PRO  53           HG2      PRO  53   9.916  -5.117 -21.149
  358    HG3  PRO  53           HG1      PRO  53  11.019  -6.454 -20.773
  359    HD2  PRO  53           HD2      PRO  53   8.386  -6.475 -20.102
  360    HD3  PRO  53           HD1      PRO  53   9.630  -7.309 -19.151
  Start of MODEL   13
    1    H1   GLU   1           HT1      GLU   1 -23.589  -9.820 -11.363
    2    H2   GLU   1           HT2      GLU   1 -22.214  -8.995 -10.753
    3    H3   GLU   1           HT3      GLU   1 -22.174 -10.698 -10.957
    4    HA   GLU   1           HA       GLU   1 -20.997  -9.893 -12.725
    5    HB2  GLU   1           HB2      GLU   1 -23.822 -10.677 -13.242
    6    HB3  GLU   1           HB1      GLU   1 -22.886 -10.094 -14.611
    7    HG2  GLU   1           HG2      GLU   1 -21.540 -12.104 -12.950
    8    HG3  GLU   1           HG1      GLU   1 -22.981 -12.667 -13.796
    9    H    GLN   2           HN       GLN   2 -23.810  -7.942 -12.018
   10    HA   GLN   2           HA       GLN   2 -22.673  -5.786 -13.676
   11    HB2  GLN   2           HB2      GLN   2 -25.104  -6.952 -14.084
   12    HB3  GLN   2           HB1      GLN   2 -25.544  -5.614 -13.032
   13    HG2  GLN   2           HG2      GLN   2 -23.740  -4.779 -15.133
   14    HG3  GLN   2           HG1      GLN   2 -25.200  -5.531 -15.775
   15   HE21  GLN   2          HE21      GLN   2 -23.882  -2.854 -14.026
   16   HE22  GLN   2          HE22      GLN   2 -25.311  -1.883 -14.019
   17    H    ALA   3           HN       ALA   3 -22.088  -6.392 -10.899
   18    HA   ALA   3           HA       ALA   3 -23.500  -4.408  -9.330
   19    HB1  ALA   3           HB1      ALA   3 -22.348  -6.747  -8.652
   20    HB2  ALA   3           HB2      ALA   3 -22.648  -5.436  -7.511
   21    HB3  ALA   3           HB3      ALA   3 -21.051  -5.627  -8.234
   22    HA   PRO   4           HA       PRO   4 -20.925  -0.862  -9.663
   23    HB2  PRO   4           HB2      PRO   4 -20.262  -1.129  -6.767
   24    HB3  PRO   4           HB1      PRO   4 -20.892   0.264  -7.654
   25    HG2  PRO   4           HG2      PRO   4 -22.488  -1.175  -6.084
   26    HG3  PRO   4           HG1      PRO   4 -23.068  -0.542  -7.636
   27    HD2  PRO   4           HD2      PRO   4 -22.268  -3.322  -6.901
   28    HD3  PRO   4           HD1      PRO   4 -23.547  -2.768  -8.000
   29    H    GLY   5           HN       GLY   5 -19.389  -2.990  -7.232
   30    HA2  GLY   5           HA2      GLY   5 -17.051  -3.267  -8.946
   31    HA3  GLY   5           HA1      GLY   5 -16.793  -2.417  -7.429
   32    H    THR   6           HN       THR   6 -16.410  -3.572  -5.635
   33    HA   THR   6           HA       THR   6 -15.983  -5.356  -4.290
   34    HB   THR   6           HB       THR   6 -18.132  -6.856  -5.773
   35    HG1  THR   6           HG1      THR   6 -19.638  -5.777  -4.523
   36   HG21  THR   6          HG21      THR   6 -16.935  -8.035  -3.961
   37   HG22  THR   6          HG22      THR   6 -18.656  -7.818  -3.647
   38   HG23  THR   6          HG23      THR   6 -17.476  -6.785  -2.840
   39    H    ALA   7           HN       ALA   7 -14.609  -5.113  -6.864
   40    HA   ALA   7           HA       ALA   7 -13.833  -7.935  -7.188
   41    HB1  ALA   7           HB1      ALA   7 -14.456  -7.831  -9.312
   42    HB2  ALA   7           HB2      ALA   7 -13.155  -6.669  -9.576
   43    HB3  ALA   7           HB3      ALA   7 -14.782  -6.102  -9.193
   44    HA   PRO   8           HA       PRO   8  -9.830  -5.347  -7.912
   45    HB2  PRO   8           HB2      PRO   8 -10.545  -2.560  -7.353
   46    HB3  PRO   8           HB1      PRO   8  -9.721  -3.242  -8.757
   47    HG2  PRO   8           HG2      PRO   8 -12.234  -2.277  -8.896
   48    HG3  PRO   8           HG1      PRO   8 -11.688  -3.647  -9.881
   49    HD2  PRO   8           HD2      PRO   8 -13.313  -3.651  -7.363
   50    HD3  PRO   8           HD1      PRO   8 -13.520  -4.613  -8.840
   51    H    CYS   9           HN       CYS   9 -10.713  -6.460  -5.584
   52    HA   CYS   9           HA       CYS   9 -10.313  -6.584  -3.348
   53    HB2  CYS   9           HB2      CYS   9  -7.996  -5.966  -4.319
   54    HB3  CYS   9           HB1      CYS   9  -8.307  -4.365  -3.658
   55    H    SER  10           HN       SER  10 -10.426  -5.385  -1.266
   56    HA   SER  10           HA       SER  10 -12.620  -3.655  -1.209
   57    HB2  SER  10           HB2      SER  10 -11.904  -5.026   0.718
   58    HB3  SER  10           HB1      SER  10 -10.479  -4.003   0.905
   59    HG   SER  10           HG       SER  10 -12.369  -3.494   2.259
   60    H    ARG  11           HN       ARG  11 -12.813  -1.435  -0.805
   61    HA   ARG  11           HA       ARG  11 -10.937   0.207  -2.137
   62    HB2  ARG  11           HB2      ARG  11 -13.557   0.473  -1.378
   63    HB3  ARG  11           HB1      ARG  11 -12.749   1.570  -0.266
   64    HG2  ARG  11           HG2      ARG  11 -12.373   1.642  -3.249
   65    HG3  ARG  11           HG1      ARG  11 -13.559   2.617  -2.379
   66    HD2  ARG  11           HD2      ARG  11 -11.379   3.210  -0.947
   67    HD3  ARG  11           HD1      ARG  11 -10.611   2.857  -2.493
   68    HE   ARG  11           HE       ARG  11 -12.851   4.649  -2.694
   69   HH11  ARG  11          HH11      ARG  11  -9.418   4.412  -2.111
   70   HH12  ARG  11          HH12      ARG  11  -9.096   6.042  -2.598
   71   HH21  ARG  11          HH21      ARG  11 -12.429   6.792  -3.335
   72   HH22  ARG  11          HH22      ARG  11 -10.806   7.394  -3.292
   73    H    GLY  12           HN       GLY  12  -9.349   1.539  -1.404
   74    HA2  GLY  12           HA2      GLY  12  -8.144   2.755   0.227
   75    HA3  GLY  12           HA1      GLY  12  -8.960   1.834   1.481
   76    H    SER  13           HN       SER  13  -8.455  -0.760   0.440
   77    HA   SER  13           HA       SER  13  -5.782  -1.125   1.418
   78    HB2  SER  13           HB2      SER  13  -6.230  -3.471   1.297
   79    HB3  SER  13           HB1      SER  13  -7.722  -2.700   1.838
   80    HG   SER  13           HG       SER  13  -7.992  -4.282   0.139
   81    H    SER  14           HN       SER  14  -4.763  -3.190  -0.051
   82    HA   SER  14           HA       SER  14  -4.676  -2.487  -2.833
   83    HB2  SER  14           HB2      SER  14  -2.932  -1.111  -1.222
   84    HB3  SER  14           HB1      SER  14  -1.952  -2.479  -1.744
   85    HG   SER  14           HG       SER  14  -2.172  -1.861  -3.824
   86    H    TRP  15           HN       TRP  15  -3.788  -4.083  -4.135
   87    HA   TRP  15           HA       TRP  15  -3.705  -6.704  -2.962
   88    HB2  TRP  15           HB2      TRP  15  -4.739  -6.696  -5.051
   89    HB3  TRP  15           HB1      TRP  15  -3.556  -5.597  -5.746
   90    HD1  TRP  15           HD1      TRP  15  -1.670  -6.657  -7.146
   91    HE1  TRP  15           HE1      TRP  15  -0.912  -9.063  -7.654
   92    HE3  TRP  15           HE3      TRP  15  -4.624  -9.169  -3.813
   93    HZ2  TRP  15           HZ2      TRP  15  -1.489 -11.672  -6.760
   94    HZ3  TRP  15           HZ3      TRP  15  -4.462 -11.619  -3.705
   95    HH2  TRP  15           HH2      TRP  15  -2.925 -12.846  -5.151
   96    H    SER  16           HN       SER  16  -1.917  -8.235  -3.393
   97    HA   SER  16           HA       SER  16   0.693  -6.948  -3.567
   98    HB2  SER  16           HB2      SER  16  -0.235  -7.684  -1.166
   99    HB3  SER  16           HB1      SER  16   0.435  -9.231  -1.687
  100    HG   SER  16           HG       SER  16   1.740  -7.188  -0.681
  101    H    ALA  17           HN       ALA  17   2.302  -8.136  -4.549
  102    HA   ALA  17           HA       ALA  17   1.393 -10.608  -5.862
  103    HB1  ALA  17           HB1      ALA  17   2.497 -10.010  -7.746
  104    HB2  ALA  17           HB2      ALA  17   3.804  -9.220  -6.865
  105    HB3  ALA  17           HB3      ALA  17   2.262  -8.392  -7.085
  106    H    ASP  18           HN       ASP  18   3.732  -9.280  -3.699
  107    HA   ASP  18           HA       ASP  18   5.860 -11.031  -3.924
  108    HB2  ASP  18           HB2      ASP  18   5.579  -8.986  -2.384
  109    HB3  ASP  18           HB1      ASP  18   4.828 -10.106  -1.249
  110    H    LEU  19           HN       LEU  19   2.710 -11.539  -2.500
  111    HA   LEU  19           HA       LEU  19   3.271 -14.386  -2.325
  112    HB2  LEU  19           HB2      LEU  19   2.183 -14.431  -0.024
  113    HB3  LEU  19           HB1      LEU  19   3.840 -13.867  -0.118
  114    HG   LEU  19           HG       LEU  19   2.061 -11.626  -0.367
  115   HD11  LEU  19          HD11      LEU  19   1.715 -13.086   2.231
  116   HD12  LEU  19          HD12      LEU  19   0.571 -13.259   0.901
  117   HD13  LEU  19          HD13      LEU  19   0.842 -11.676   1.630
  118   HD21  LEU  19          HD21      LEU  19   4.225 -12.520   1.498
  119   HD22  LEU  19          HD22      LEU  19   3.295 -11.059   1.830
  120   HD23  LEU  19          HD23      LEU  19   4.227 -11.189   0.339
  121    H    ASP  20           HN       ASP  20   1.528 -12.422  -3.826
  122    HA   ASP  20           HA       ASP  20  -0.638 -12.168  -4.523
  123    HB2  ASP  20           HB2      ASP  20  -0.076 -15.080  -4.341
  124    HB3  ASP  20           HB1      ASP  20  -1.752 -14.609  -4.610
  125    H    LYS  21           HN       LYS  21  -1.268 -10.983  -2.616
  126    HA   LYS  21           HA       LYS  21  -3.626 -12.007  -1.445
  127    HB2  LYS  21           HB2      LYS  21  -1.151 -12.506  -0.024
  128    HB3  LYS  21           HB1      LYS  21  -2.234 -11.504   0.932
  129    HG2  LYS  21           HG2      LYS  21  -2.851 -14.206  -0.242
  130    HG3  LYS  21           HG1      LYS  21  -2.588 -13.824   1.460
  131    HD2  LYS  21           HD2      LYS  21  -4.735 -13.299   1.710
  132    HD3  LYS  21           HD1      LYS  21  -4.626 -12.108   0.412
  133    HE2  LYS  21           HE2      LYS  21  -4.762 -14.938  -0.420
  134    HE3  LYS  21           HE1      LYS  21  -6.218 -14.276   0.322
  135    HZ1  LYS  21           HZ1      LYS  21  -5.663 -12.331  -1.366
  136    HZ2  LYS  21           HZ2      LYS  21  -6.600 -13.668  -1.808
  137    HZ3  LYS  21           HZ3      LYS  21  -4.962 -13.611  -2.222
  138    H    CYS  22           HN       CYS  22  -4.908 -10.353  -0.884
  139    HA   CYS  22           HA       CYS  22  -4.015  -7.684  -1.283
  140    HB2  CYS  22           HB2      CYS  22  -6.557  -9.043  -0.748
  141    HB3  CYS  22           HB1      CYS  22  -6.450  -7.445  -0.020
  142    H    MET  23           HN       MET  23  -4.279  -5.934   0.307
  143    HA   MET  23           HA       MET  23  -4.348  -6.498   3.087
  144    HB2  MET  23           HB2      MET  23  -1.834  -6.823   1.831
  145    HB3  MET  23           HB1      MET  23  -1.749  -5.328   2.754
  146    HG2  MET  23           HG2      MET  23  -1.821  -6.384   4.733
  147    HG3  MET  23           HG1      MET  23  -2.948  -7.613   4.160
  148    HE1  MET  23           HE1      MET  23   0.594  -8.586   5.762
  149    HE2  MET  23           HE2      MET  23  -0.739  -9.735   5.641
  150    HE3  MET  23           HE3      MET  23  -1.052  -8.069   6.129
  151    H    ASP  24           HN       ASP  24  -4.706  -4.673   4.276
  152    HA   ASP  24           HA       ASP  24  -5.553  -2.353   2.951
  153    HB2  ASP  24           HB2      ASP  24  -5.212  -3.209   5.755
  154    HB3  ASP  24           HB1      ASP  24  -5.145  -1.468   5.495
  155    H    CYS  25           HN       CYS  25  -4.714  -0.152   3.245
  156    HA   CYS  25           HA       CYS  25  -1.965  -0.011   2.509
  157    HB2  CYS  25           HB2      CYS  25  -3.718   1.540   1.655
  158    HB3  CYS  25           HB1      CYS  25  -3.826   2.252   3.260
  159    H    ALA  26           HN       ALA  26  -3.749   0.482   5.472
  160    HA   ALA  26           HA       ALA  26  -1.534   1.706   6.856
  161    HB1  ALA  26           HB1      ALA  26  -3.926   2.208   7.367
  162    HB2  ALA  26           HB2      ALA  26  -2.961   1.753   8.772
  163    HB3  ALA  26           HB3      ALA  26  -4.065   0.586   8.045
  164    H    SER  27           HN       SER  27   0.188   0.329   6.942
  165    HA   SER  27           HA       SER  27   0.222  -1.658   8.929
  166    HB2  SER  27           HB2      SER  27  -0.937  -2.677   6.701
  167    HB3  SER  27           HB1      SER  27   0.756  -3.039   6.369
  168    HG   SER  27           HG       SER  27  -0.475  -3.664   8.837
  169    H    CYS  28           HN       CYS  28   1.689  -0.501   5.934
  170    HA   CYS  28           HA       CYS  28   4.331  -1.274   6.781
  171    HB2  CYS  28           HB2      CYS  28   3.154  -0.069   4.320
  172    HB3  CYS  28           HB1      CYS  28   4.878   0.131   4.612
  173    H    ARG  29           HN       ARG  29   3.474   0.315   8.719
  174    HA   ARG  29           HA       ARG  29   4.636   2.963   8.170
  175    HB2  ARG  29           HB2      ARG  29   2.434   2.045   9.962
  176    HB3  ARG  29           HB1      ARG  29   3.388   3.437  10.456
  177    HG2  ARG  29           HG2      ARG  29   2.713   4.701   8.606
  178    HG3  ARG  29           HG1      ARG  29   2.123   3.279   7.743
  179    HD2  ARG  29           HD2      ARG  29   0.262   3.063   9.194
  180    HD3  ARG  29           HD1      ARG  29   0.928   4.230  10.335
  181    HE   ARG  29           HE       ARG  29   0.657   5.678   8.071
  182   HH11  ARG  29          HH11      ARG  29  -1.533   3.636   9.863
  183   HH12  ARG  29          HH12      ARG  29  -2.943   4.528   9.401
  184   HH21  ARG  29          HH21      ARG  29  -1.197   6.854   7.463
  185   HH22  ARG  29          HH22      ARG  29  -2.753   6.355   8.039
  186    H    ALA  30           HN       ALA  30   4.838   0.109  10.137
  187    HA   ALA  30           HA       ALA  30   6.896   1.349  11.822
  188    HB1  ALA  30           HB1      ALA  30   5.687  -1.377  12.207
  189    HB2  ALA  30           HB2      ALA  30   4.956   0.094  12.850
  190    HB3  ALA  30           HB3      ALA  30   6.566  -0.394  13.379
  191    H    ARG  31           HN       ARG  31   6.370  -1.174   9.450
  192    HA   ARG  31           HA       ARG  31   9.225  -1.370   9.019
  193    HB2  ARG  31           HB2      ARG  31   7.603  -3.594  10.187
  194    HB3  ARG  31           HB1      ARG  31   8.912  -3.982   9.077
  195    HG2  ARG  31           HG2      ARG  31  10.125  -4.042  10.965
  196    HG3  ARG  31           HG1      ARG  31  10.195  -2.295  10.726
  197    HD2  ARG  31           HD2      ARG  31   9.452  -2.272  12.862
  198    HD3  ARG  31           HD1      ARG  31   7.887  -2.462  12.074
  199    HE   ARG  31           HE       ARG  31   8.695  -5.013  12.445
  200   HH11  ARG  31          HH11      ARG  31   8.432  -2.266  14.581
  201   HH12  ARG  31          HH12      ARG  31   8.106  -3.229  15.983
  202   HH21  ARG  31          HH21      ARG  31   8.271  -6.282  14.287
  203   HH22  ARG  31          HH22      ARG  31   8.017  -5.509  15.817
  204    HA   PRO  32           HA       PRO  32   6.704  -1.452   5.131
  205    HB2  PRO  32           HB2      PRO  32   9.305  -0.407   4.151
  206    HB3  PRO  32           HB1      PRO  32   7.667   0.182   3.845
  207    HG2  PRO  32           HG2      PRO  32   9.308   1.494   5.489
  208    HG3  PRO  32           HG1      PRO  32   7.575   1.357   5.842
  209    HD2  PRO  32           HD2      PRO  32   9.879  -0.128   7.038
  210    HD3  PRO  32           HD1      PRO  32   8.405   0.486   7.817
  211    H    HIS  33           HN       HIS  33   6.590  -3.559   4.582
  212    HA   HIS  33           HA       HIS  33   8.778  -4.694   3.080
  213    HB2  HIS  33           HB2      HIS  33   7.938  -5.784   5.749
  214    HB3  HIS  33           HB1      HIS  33   8.555  -6.866   4.505
  215    HD1  HIS  33           HD1      HIS  33  11.063  -6.640   3.875
  216    HD2  HIS  33           HD2      HIS  33   9.839  -4.138   6.958
  217    HE1  HIS  33           HE1      HIS  33  13.181  -5.776   4.919
  218    HE2  HIS  33           HE2      HIS  33  12.415  -4.334   6.838
  219    H    SER  34           HN       SER  34   6.658  -4.057   1.823
  220    HA   SER  34           HA       SER  34   5.511  -6.482   0.937
  221    HB2  SER  34           HB2      SER  34   4.156  -5.227   3.095
  222    HB3  SER  34           HB1      SER  34   3.174  -4.988   1.651
  223    HG   SER  34           HG       SER  34   3.188  -7.221   1.327
  224    H    ASP  35           HN       ASP  35   4.370  -6.242  -0.998
  225    HA   ASP  35           HA       ASP  35   5.002  -3.850  -2.439
  226    HB2  ASP  35           HB2      ASP  35   4.015  -6.558  -3.108
  227    HB3  ASP  35           HB1      ASP  35   3.531  -5.266  -4.204
  228    H    PHE  36           HN       PHE  36   2.163  -5.266  -0.984
  229    HA   PHE  36           HA       PHE  36   0.179  -3.842  -2.333
  230    HB2  PHE  36           HB2      PHE  36  -1.294  -4.422  -0.547
  231    HB3  PHE  36           HB1      PHE  36  -0.177  -5.766  -0.749
  232    HD1  PHE  36           HD2      PHE  36  -0.843  -2.761   1.321
  233    HD2  PHE  36           HD1      PHE  36   1.085  -6.544   1.050
  234    HE1  PHE  36           HE2      PHE  36  -0.280  -2.642   3.713
  235    HE2  PHE  36           HE1      PHE  36   1.647  -6.434   3.441
  236    HZ   PHE  36           HZ       PHE  36   0.965  -4.481   4.776
  237    H    CYS  37           HN       CYS  37   2.057  -2.952   0.541
  238    HA   CYS  37           HA       CYS  37   0.668  -0.478   0.904
  239    HB2  CYS  37           HB2      CYS  37   2.563   0.036   2.480
  240    HB3  CYS  37           HB1      CYS  37   1.675  -1.439   2.841
  241    H    LEU  38           HN       LEU  38   3.519  -1.507  -0.828
  242    HA   LEU  38           HA       LEU  38   4.610   1.067  -1.294
  243    HB2  LEU  38           HB2      LEU  38   5.694  -1.261  -1.575
  244    HB3  LEU  38           HB1      LEU  38   4.938  -1.265  -3.157
  245    HG   LEU  38           HG       LEU  38   6.407   1.196  -2.691
  246   HD11  LEU  38          HD11      LEU  38   8.067   0.247  -1.476
  247   HD12  LEU  38          HD12      LEU  38   8.617  -0.241  -3.080
  248   HD13  LEU  38          HD13      LEU  38   7.726  -1.378  -2.069
  249   HD21  LEU  38          HD21      LEU  38   7.247  -0.728  -4.757
  250   HD22  LEU  38          HD22      LEU  38   6.859   0.987  -4.889
  251   HD23  LEU  38          HD23      LEU  38   5.563  -0.209  -4.828
  252    H    GLY  39           HN       GLY  39   1.864  -0.516  -2.541
  253    HA2  GLY  39           HA2      GLY  39   1.823   1.228  -4.915
  254    HA3  GLY  39           HA1      GLY  39   0.890  -0.247  -4.727
  255    H    CYS  40           HN       CYS  40   0.328   0.701  -1.871
  256    HA   CYS  40           HA       CYS  40  -2.168   1.949  -2.483
  257    HB2  CYS  40           HB2      CYS  40  -2.708   1.657  -0.216
  258    HB3  CYS  40           HB1      CYS  40  -1.658   0.295  -0.583
  259    H    ALA  41           HN       ALA  41   0.903   3.197  -2.204
  260    HA   ALA  41           HA       ALA  41  -0.059   5.880  -2.116
  261    HB1  ALA  41           HB1      ALA  41   1.774   6.098  -0.076
  262    HB2  ALA  41           HB2      ALA  41   0.902   4.615   0.318
  263    HB3  ALA  41           HB3      ALA  41   0.019   6.127   0.101
  264    H    ALA  42           HN       ALA  42   2.010   7.400  -1.857
  265    HA   ALA  42           HA       ALA  42   3.965   6.356  -3.782
  266    HB1  ALA  42           HB1      ALA  42   4.100   8.416  -4.691
  267    HB2  ALA  42           HB2      ALA  42   3.983   9.230  -3.130
  268    HB3  ALA  42           HB3      ALA  42   2.526   8.629  -3.923
  269    H    ALA  43           HN       ALA  43   6.167   7.677  -3.500
  270    HA   ALA  43           HA       ALA  43   7.501   6.609  -1.329
  271    HB1  ALA  43           HB1      ALA  43   8.102   8.694  -3.332
  272    HB2  ALA  43           HB2      ALA  43   9.000   7.239  -2.901
  273    HB3  ALA  43           HB3      ALA  43   9.108   8.675  -1.883
  274    HA   PRO  44           HA       PRO  44   5.978   9.566   1.741
  275    HB2  PRO  44           HB2      PRO  44   6.231   7.996   3.882
  276    HB3  PRO  44           HB1      PRO  44   4.949   7.718   2.695
  277    HG2  PRO  44           HG2      PRO  44   7.547   6.284   3.051
  278    HG3  PRO  44           HG1      PRO  44   5.948   5.627   2.661
  279    HD2  PRO  44           HD2      PRO  44   7.958   6.136   0.816
  280    HD3  PRO  44           HD1      PRO  44   6.234   5.974   0.429
  281    HA   PRO  45           HA       PRO  45  10.303  10.727   2.630
  282    HB2  PRO  45           HB2      PRO  45   9.784  13.343   3.106
  283    HB3  PRO  45           HB1      PRO  45   9.939  12.683   1.474
  284    HG2  PRO  45           HG2      PRO  45   7.462  13.289   3.044
  285    HG3  PRO  45           HG1      PRO  45   7.815  13.623   1.338
  286    HD2  PRO  45           HD2      PRO  45   6.311  11.515   2.129
  287    HD3  PRO  45           HD1      PRO  45   7.343  11.465   0.686
  288    H    ALA  46           HN       ALA  46   7.475  11.825   4.487
  289    HA   ALA  46           HA       ALA  46   8.816  11.028   6.952
  290    HB1  ALA  46           HB1      ALA  46   9.455  13.204   7.188
  291    HB2  ALA  46           HB2      ALA  46   7.844  13.304   7.896
  292    HB3  ALA  46           HB3      ALA  46   8.108  13.820   6.231
  293    HA   PRO  47           HA       PRO  47   4.790   9.668   8.118
  294    HB2  PRO  47           HB2      PRO  47   4.790  10.060  10.804
  295    HB3  PRO  47           HB1      PRO  47   5.726   8.782  10.020
  296    HG2  PRO  47           HG2      PRO  47   6.625  11.468  10.987
  297    HG3  PRO  47           HG1      PRO  47   7.426   9.894  11.153
  298    HD2  PRO  47           HD2      PRO  47   8.152  11.707   9.277
  299    HD3  PRO  47           HD1      PRO  47   8.269   9.956   9.007
  300    H    PHE  48           HN       PHE  48   3.252  10.998   7.265
  301    HA   PHE  48           HA       PHE  48   2.695  13.548   8.593
  302    HB2  PHE  48           HB2      PHE  48   2.942  13.365   6.065
  303    HB3  PHE  48           HB1      PHE  48   1.409  12.503   6.071
  304    HD1  PHE  48           HD1      PHE  48   2.868  15.659   7.431
  305    HD2  PHE  48           HD2      PHE  48  -0.485  13.723   5.663
  306    HE1  PHE  48           HE1      PHE  48   1.668  17.805   7.368
  307    HE2  PHE  48           HE2      PHE  48  -1.692  15.867   5.596
  308    HZ   PHE  48           HZ       PHE  48  -0.615  17.911   6.449
  309    H    ARG  49           HN       ARG  49   0.875  13.930   9.731
  310    HA   ARG  49           HA       ARG  49  -0.786  11.656  10.398
  311    HB2  ARG  49           HB2      ARG  49  -0.059  14.157  11.639
  312    HB3  ARG  49           HB1      ARG  49  -1.806  13.959  11.653
  313    HG2  ARG  49           HG2      ARG  49   0.162  11.925  12.679
  314    HG3  ARG  49           HG1      ARG  49  -0.714  13.086  13.678
  315    HD2  ARG  49           HD2      ARG  49  -2.840  12.114  12.759
  316    HD3  ARG  49           HD1      ARG  49  -1.861  10.846  12.024
  317    HE   ARG  49           HE       ARG  49  -1.378  11.118  14.829
  318   HH11  ARG  49          HH11      ARG  49  -3.524   9.719  12.460
  319   HH12  ARG  49          HH12      ARG  49  -4.053   8.445  13.506
  320   HH21  ARG  49          HH21      ARG  49  -2.074   9.444  16.209
  321   HH22  ARG  49          HH22      ARG  49  -3.230   8.289  15.635
  322    H    LEU  50           HN       LEU  50  -3.238  12.465  10.831
  323    HA   LEU  50           HA       LEU  50  -4.315  12.822   8.199
  324    HB2  LEU  50           HB2      LEU  50  -5.377  12.218  10.896
  325    HB3  LEU  50           HB1      LEU  50  -6.487  12.981   9.775
  326    HG   LEU  50           HG       LEU  50  -4.988  10.624   8.776
  327   HD11  LEU  50          HD11      LEU  50  -6.001  10.323  11.235
  328   HD12  LEU  50          HD12      LEU  50  -6.000   9.038  10.026
  329   HD13  LEU  50          HD13      LEU  50  -7.451  10.008  10.282
  330   HD21  LEU  50          HD21      LEU  50  -6.428  11.293   7.162
  331   HD22  LEU  50          HD22      LEU  50  -7.553  12.018   8.310
  332   HD23  LEU  50          HD23      LEU  50  -7.542  10.271   8.070
  333    H    LEU  51           HN       LEU  51  -5.216  14.592   7.300
  334    HA   LEU  51           HA       LEU  51  -5.177  17.067   8.894
  335    HB2  LEU  51           HB2      LEU  51  -3.846  16.523   6.554
  336    HB3  LEU  51           HB1      LEU  51  -5.278  17.355   5.980
  337    HG   LEU  51           HG       LEU  51  -4.750  19.247   7.498
  338   HD11  LEU  51          HD11      LEU  51  -2.581  17.397   8.286
  339   HD12  LEU  51          HD12      LEU  51  -3.460  18.592   9.239
  340   HD13  LEU  51          HD13      LEU  51  -2.167  19.107   8.155
  341   HD21  LEU  51          HD21      LEU  51  -3.421  20.231   5.952
  342   HD22  LEU  51          HD22      LEU  51  -3.793  18.765   5.044
  343   HD23  LEU  51          HD23      LEU  51  -2.271  18.894   5.927
  344    H    TRP  52           HN       TRP  52  -6.614  18.664   7.092
  345    HA   TRP  52           HA       TRP  52  -9.116  17.472   6.425
  346    HB2  TRP  52           HB2      TRP  52  -8.826  18.906   9.026
  347    HB3  TRP  52           HB1      TRP  52 -10.311  19.137   8.110
  348    HD1  TRP  52           HD1      TRP  52  -9.399  17.272  10.905
  349    HE1  TRP  52           HE1      TRP  52 -10.571  14.985  11.062
  350    HE3  TRP  52           HE3      TRP  52 -10.959  16.822   6.056
  351    HZ2  TRP  52           HZ2      TRP  52 -11.969  13.224   9.357
  352    HZ3  TRP  52           HZ3      TRP  52 -12.206  14.806   5.401
  353    HH2  TRP  52           HH2      TRP  52 -12.700  13.044   7.019
  354    HA   PRO  53           HA       PRO  53  -9.461  22.206   5.579
  355    HB2  PRO  53           HB2      PRO  53  -7.449  23.809   6.475
  356    HB3  PRO  53           HB1      PRO  53  -8.909  23.469   7.413
  357    HG2  PRO  53           HG2      PRO  53  -6.194  22.223   7.616
  358    HG3  PRO  53           HG1      PRO  53  -7.283  22.751   8.913
  359    HD2  PRO  53           HD2      PRO  53  -7.062  20.162   8.198
  360    HD3  PRO  53           HD1      PRO  53  -8.598  20.858   8.751
  Start of MODEL   14
    1    H1   GLU   1           HT1      GLU   1  -9.556  -2.306  11.111
    2    H2   GLU   1           HT2      GLU   1  -9.242  -3.420  12.378
    3    H3   GLU   1           HT3      GLU   1  -8.121  -2.165  12.036
    4    HA   GLU   1           HA       GLU   1  -9.554  -1.838  14.008
    5    HB2  GLU   1           HB2      GLU   1  -9.365   0.070  11.688
    6    HB3  GLU   1           HB1      GLU   1 -10.085   0.563  13.214
    7    HG2  GLU   1           HG2      GLU   1  -8.036   0.165  14.383
    8    HG3  GLU   1           HG1      GLU   1  -7.303  -0.548  12.948
    9    H    GLN   2           HN       GLN   2 -11.349  -3.372  13.887
   10    HA   GLN   2           HA       GLN   2 -13.581  -3.801  13.970
   11    HB2  GLN   2           HB2      GLN   2 -13.570  -1.298  14.673
   12    HB3  GLN   2           HB1      GLN   2 -14.190  -1.008  13.055
   13    HG2  GLN   2           HG2      GLN   2 -15.700  -3.113  14.209
   14    HG3  GLN   2           HG1      GLN   2 -15.599  -1.799  15.379
   15   HE21  GLN   2          HE21      GLN   2 -15.589   0.405  13.809
   16   HE22  GLN   2          HE22      GLN   2 -17.073   0.526  12.932
   17    H    ALA   3           HN       ALA   3 -13.377  -1.413  11.324
   18    HA   ALA   3           HA       ALA   3 -14.025  -1.512   9.144
   19    HB1  ALA   3           HB1      ALA   3 -12.138  -2.926   8.854
   20    HB2  ALA   3           HB2      ALA   3 -13.470  -3.656   7.958
   21    HB3  ALA   3           HB3      ALA   3 -12.995  -4.315   9.522
   22    HA   PRO   4           HA       PRO   4 -18.209  -3.153  10.106
   23    HB2  PRO   4           HB2      PRO   4 -19.517  -1.217   8.701
   24    HB3  PRO   4           HB1      PRO   4 -18.999  -1.017  10.379
   25    HG2  PRO   4           HG2      PRO   4 -17.690  -0.060   7.863
   26    HG3  PRO   4           HG1      PRO   4 -17.910   0.790   9.404
   27    HD2  PRO   4           HD2      PRO   4 -15.564  -0.352   8.712
   28    HD3  PRO   4           HD1      PRO   4 -16.123  -0.283  10.395
   29    H    GLY   5           HN       GLY   5 -16.648  -2.294   7.096
   30    HA2  GLY   5           HA2      GLY   5 -18.167  -4.433   5.772
   31    HA3  GLY   5           HA1      GLY   5 -18.092  -2.850   5.014
   32    H    THR   6           HN       THR   6 -16.805  -5.840   4.917
   33    HA   THR   6           HA       THR   6 -14.064  -5.032   4.348
   34    HB   THR   6           HB       THR   6 -14.421  -7.085   5.632
   35    HG1  THR   6           HG1      THR   6 -12.616  -7.006   4.248
   36   HG21  THR   6          HG21      THR   6 -16.085  -8.456   5.157
   37   HG22  THR   6          HG22      THR   6 -15.198  -8.954   3.716
   38   HG23  THR   6          HG23      THR   6 -16.381  -7.650   3.617
   39    H    ALA   7           HN       ALA   7 -13.040  -5.412   2.342
   40    HA   ALA   7           HA       ALA   7 -14.569  -6.257   0.056
   41    HB1  ALA   7           HB1      ALA   7 -14.950  -3.663   0.670
   42    HB2  ALA   7           HB2      ALA   7 -14.992  -4.295  -0.975
   43    HB3  ALA   7           HB3      ALA   7 -13.526  -3.532  -0.360
   44    HA   PRO   8           HA       PRO   8 -10.548  -7.254  -1.447
   45    HB2  PRO   8           HB2      PRO   8 -10.855  -7.048  -4.131
   46    HB3  PRO   8           HB1      PRO   8 -11.584  -8.351  -3.184
   47    HG2  PRO   8           HG2      PRO   8 -12.828  -5.822  -4.199
   48    HG3  PRO   8           HG1      PRO   8 -13.482  -7.471  -4.202
   49    HD2  PRO   8           HD2      PRO   8 -14.196  -5.618  -2.357
   50    HD3  PRO   8           HD1      PRO   8 -14.125  -7.354  -1.991
   51    H    CYS   9           HN       CYS   9 -10.160  -4.910  -0.418
   52    HA   CYS   9           HA       CYS   9  -8.914  -3.010  -0.497
   53    HB2  CYS   9           HB2      CYS   9  -8.000  -4.213  -3.116
   54    HB3  CYS   9           HB1      CYS   9  -7.268  -2.797  -2.367
   55    H    SER  10           HN       SER  10  -9.911  -1.127  -0.698
   56    HA   SER  10           HA       SER  10 -10.566  -0.074  -3.299
   57    HB2  SER  10           HB2      SER  10 -12.757  -0.628  -1.286
   58    HB3  SER  10           HB1      SER  10 -12.950   0.385  -2.716
   59    HG   SER  10           HG       SER  10 -12.230  -1.547  -3.911
   60    H    ARG  11           HN       ARG  11 -10.944   0.321   0.209
   61    HA   ARG  11           HA       ARG  11 -10.327   3.183  -0.138
   62    HB2  ARG  11           HB2      ARG  11 -12.584   2.081   1.020
   63    HB3  ARG  11           HB1      ARG  11 -11.571   2.459   2.407
   64    HG2  ARG  11           HG2      ARG  11 -11.431   4.765   1.742
   65    HG3  ARG  11           HG1      ARG  11 -12.296   4.422   0.242
   66    HD2  ARG  11           HD2      ARG  11 -13.993   3.438   2.167
   67    HD3  ARG  11           HD1      ARG  11 -13.317   4.873   2.938
   68    HE   ARG  11           HE       ARG  11 -14.224   5.326   0.249
   69   HH11  ARG  11          HH11      ARG  11 -15.171   5.218   3.606
   70   HH12  ARG  11          HH12      ARG  11 -16.533   6.264   3.384
   71   HH21  ARG  11          HH21      ARG  11 -16.014   6.703  -0.044
   72   HH22  ARG  11          HH22      ARG  11 -17.012   7.108   1.313
   73    H    GLY  12           HN       GLY  12  -8.134   3.131   0.137
   74    HA2  GLY  12           HA2      GLY  12  -6.214   3.277   1.409
   75    HA3  GLY  12           HA1      GLY  12  -7.176   2.884   2.825
   76    H    SER  13           HN       SER  13  -6.519   1.086  -0.177
   77    HA   SER  13           HA       SER  13  -4.995  -0.892   1.309
   78    HB2  SER  13           HB2      SER  13  -7.551  -1.598  -0.149
   79    HB3  SER  13           HB1      SER  13  -6.401  -2.768   0.496
   80    HG   SER  13           HG       SER  13  -7.870  -0.846   1.983
   81    H    SER  14           HN       SER  14  -4.341  -2.731  -0.292
   82    HA   SER  14           HA       SER  14  -4.208  -2.048  -3.052
   83    HB2  SER  14           HB2      SER  14  -2.018  -1.254  -1.250
   84    HB3  SER  14           HB1      SER  14  -1.507  -2.121  -2.698
   85    HG   SER  14           HG       SER  14  -3.289   0.073  -2.796
   86    H    TRP  15           HN       TRP  15  -3.234  -3.675  -4.340
   87    HA   TRP  15           HA       TRP  15  -3.382  -6.295  -3.153
   88    HB2  TRP  15           HB2      TRP  15  -4.306  -6.301  -5.279
   89    HB3  TRP  15           HB1      TRP  15  -3.098  -5.198  -5.923
   90    HD1  TRP  15           HD1      TRP  15  -0.972  -6.242  -7.044
   91    HE1  TRP  15           HE1      TRP  15  -0.279  -8.649  -7.639
   92    HE3  TRP  15           HE3      TRP  15  -4.512  -8.797  -4.380
   93    HZ2  TRP  15           HZ2      TRP  15  -1.124 -11.275  -7.056
   94    HZ3  TRP  15           HZ3      TRP  15  -4.502 -11.252  -4.457
   95    HH2  TRP  15           HH2      TRP  15  -2.841 -12.466  -5.769
   96    H    SER  16           HN       SER  16  -1.644  -7.933  -3.619
   97    HA   SER  16           HA       SER  16   1.029  -6.802  -3.699
   98    HB2  SER  16           HB2      SER  16  -0.073  -7.423  -1.286
   99    HB3  SER  16           HB1      SER  16   0.719  -8.943  -1.701
  100    HG   SER  16           HG       SER  16   2.181  -7.642  -0.619
  101    H    ALA  17           HN       ALA  17   2.556  -8.100  -4.634
  102    HA   ALA  17           HA       ALA  17   1.540 -10.578  -5.836
  103    HB1  ALA  17           HB1      ALA  17   3.467  -8.508  -6.693
  104    HB2  ALA  17           HB2      ALA  17   2.296  -9.430  -7.635
  105    HB3  ALA  17           HB3      ALA  17   3.827 -10.168  -7.165
  106    H    ASP  18           HN       ASP  18   3.748  -9.414  -3.488
  107    HA   ASP  18           HA       ASP  18   5.812 -11.235  -3.513
  108    HB2  ASP  18           HB2      ASP  18   4.612  -9.447  -1.573
  109    HB3  ASP  18           HB1      ASP  18   5.189 -10.921  -0.800
  110    H    LEU  19           HN       LEU  19   2.509 -11.684  -2.442
  111    HA   LEU  19           HA       LEU  19   2.934 -14.556  -2.385
  112    HB2  LEU  19           HB2      LEU  19   1.614 -14.637  -0.178
  113    HB3  LEU  19           HB1      LEU  19   3.325 -14.256  -0.119
  114    HG   LEU  19           HG       LEU  19   2.123 -11.766  -0.320
  115   HD11  LEU  19          HD11      LEU  19   0.057 -13.400   0.370
  116   HD12  LEU  19          HD12      LEU  19   0.164 -11.684   0.761
  117   HD13  LEU  19          HD13      LEU  19   0.655 -12.891   1.949
  118   HD21  LEU  19          HD21      LEU  19   2.683 -12.891   2.371
  119   HD22  LEU  19          HD22      LEU  19   3.186 -11.360   1.655
  120   HD23  LEU  19          HD23      LEU  19   3.996 -12.857   1.195
  121    H    ASP  20           HN       ASP  20   1.407 -12.438  -3.904
  122    HA   ASP  20           HA       ASP  20  -0.679 -12.047  -4.760
  123    HB2  ASP  20           HB2      ASP  20  -0.655 -15.058  -4.494
  124    HB3  ASP  20           HB1      ASP  20  -1.869 -14.168  -5.406
  125    H    LYS  21           HN       LYS  21  -1.426 -10.916  -2.872
  126    HA   LYS  21           HA       LYS  21  -3.918 -11.853  -1.951
  127    HB2  LYS  21           HB2      LYS  21  -1.621 -12.612  -0.367
  128    HB3  LYS  21           HB1      LYS  21  -2.700 -11.579   0.560
  129    HG2  LYS  21           HG2      LYS  21  -4.490 -13.077   0.358
  130    HG3  LYS  21           HG1      LYS  21  -3.706 -13.967  -0.950
  131    HD2  LYS  21           HD2      LYS  21  -2.516 -15.238   0.471
  132    HD3  LYS  21           HD1      LYS  21  -2.158 -13.877   1.536
  133    HE2  LYS  21           HE2      LYS  21  -4.542 -14.049   2.351
  134    HE3  LYS  21           HE1      LYS  21  -4.645 -15.572   1.469
  135    HZ1  LYS  21           HZ1      LYS  21  -3.371 -16.630   2.971
  136    HZ2  LYS  21           HZ2      LYS  21  -3.882 -15.394   4.007
  137    HZ3  LYS  21           HZ3      LYS  21  -2.371 -15.293   3.252
  138    H    CYS  22           HN       CYS  22  -5.121 -10.118  -1.557
  139    HA   CYS  22           HA       CYS  22  -3.954  -7.513  -1.555
  140    HB2  CYS  22           HB2      CYS  22  -6.453  -8.565  -2.149
  141    HB3  CYS  22           HB1      CYS  22  -6.738  -7.619  -0.693
  142    H    MET  23           HN       MET  23  -4.287  -5.884   0.103
  143    HA   MET  23           HA       MET  23  -5.096  -6.552   2.728
  144    HB2  MET  23           HB2      MET  23  -2.975  -7.815   2.677
  145    HB3  MET  23           HB1      MET  23  -2.113  -6.331   2.295
  146    HG2  MET  23           HG2      MET  23  -2.105  -5.643   4.415
  147    HG3  MET  23           HG1      MET  23  -3.775  -6.140   4.685
  148    HE1  MET  23           HE1      MET  23   0.138  -7.997   5.218
  149    HE2  MET  23           HE2      MET  23  -0.473  -7.375   6.751
  150    HE3  MET  23           HE3      MET  23  -0.429  -6.331   5.331
  151    H    ASP  24           HN       ASP  24  -5.422  -4.748   3.936
  152    HA   ASP  24           HA       ASP  24  -5.424  -2.242   2.683
  153    HB2  ASP  24           HB2      ASP  24  -5.839  -1.371   5.037
  154    HB3  ASP  24           HB1      ASP  24  -6.969  -2.588   4.451
  155    H    CYS  25           HN       CYS  25  -4.248  -0.313   3.243
  156    HA   CYS  25           HA       CYS  25  -1.467  -0.641   3.196
  157    HB2  CYS  25           HB2      CYS  25  -2.971   1.843   4.038
  158    HB3  CYS  25           HB1      CYS  25  -1.329   1.766   3.407
  159    H    ALA  26           HN       ALA  26  -3.709  -0.194   5.841
  160    HA   ALA  26           HA       ALA  26  -1.645   0.295   7.795
  161    HB1  ALA  26           HB1      ALA  26  -3.409   0.368   9.408
  162    HB2  ALA  26           HB2      ALA  26  -4.533  -0.404   8.288
  163    HB3  ALA  26           HB3      ALA  26  -3.951   1.231   7.968
  164    H    SER  27           HN       SER  27  -0.266  -1.434   7.876
  165    HA   SER  27           HA       SER  27  -0.959  -3.623   9.483
  166    HB2  SER  27           HB2      SER  27  -1.964  -4.058   7.007
  167    HB3  SER  27           HB1      SER  27  -0.351  -4.741   6.809
  168    HG   SER  27           HG       SER  27  -0.862  -5.889   8.858
  169    H    CYS  28           HN       CYS  28   1.142  -2.631   6.802
  170    HA   CYS  28           HA       CYS  28   3.407  -3.973   7.981
  171    HB2  CYS  28           HB2      CYS  28   4.630  -3.098   5.984
  172    HB3  CYS  28           HB1      CYS  28   3.235  -4.093   5.586
  173    H    ARG  29           HN       ARG  29   2.659  -2.245   9.823
  174    HA   ARG  29           HA       ARG  29   4.212   0.213   9.476
  175    HB2  ARG  29           HB2      ARG  29   1.747  -0.164  10.566
  176    HB3  ARG  29           HB1      ARG  29   2.755  -0.214  12.005
  177    HG2  ARG  29           HG2      ARG  29   3.754   1.966  11.257
  178    HG3  ARG  29           HG1      ARG  29   2.504   2.023  10.013
  179    HD2  ARG  29           HD2      ARG  29   2.205   2.161  12.994
  180    HD3  ARG  29           HD1      ARG  29   1.631   3.291  11.771
  181    HE   ARG  29           HE       ARG  29  -0.193   1.909  11.363
  182   HH11  ARG  29          HH11      ARG  29   1.969   0.441  13.684
  183   HH12  ARG  29          HH12      ARG  29   0.819  -0.749  14.184
  184   HH21  ARG  29          HH21      ARG  29  -1.702   0.342  12.025
  185   HH22  ARG  29          HH22      ARG  29  -1.263  -0.807  13.245
  186    H    ALA  30           HN       ALA  30   4.066  -2.725  11.382
  187    HA   ALA  30           HA       ALA  30   6.281  -1.890  13.070
  188    HB1  ALA  30           HB1      ALA  30   4.460  -3.130  14.095
  189    HB2  ALA  30           HB2      ALA  30   5.961  -4.049  14.189
  190    HB3  ALA  30           HB3      ALA  30   4.738  -4.480  12.994
  191    H    ARG  31           HN       ARG  31   5.656  -3.952  10.320
  192    HA   ARG  31           HA       ARG  31   8.539  -4.366  10.032
  193    HB2  ARG  31           HB2      ARG  31   6.487  -6.574   9.788
  194    HB3  ARG  31           HB1      ARG  31   8.200  -6.727   9.425
  195    HG2  ARG  31           HG2      ARG  31   8.608  -7.252  11.532
  196    HG3  ARG  31           HG1      ARG  31   7.963  -5.694  12.054
  197    HD2  ARG  31           HD2      ARG  31   5.656  -6.830  11.786
  198    HD3  ARG  31           HD1      ARG  31   6.570  -8.337  11.819
  199    HE   ARG  31           HE       ARG  31   7.182  -6.565  13.998
  200   HH11  ARG  31          HH11      ARG  31   5.043  -9.082  12.874
  201   HH12  ARG  31          HH12      ARG  31   4.601  -9.591  14.469
  202   HH21  ARG  31          HH21      ARG  31   6.603  -7.233  16.097
  203   HH22  ARG  31          HH22      ARG  31   5.486  -8.541  16.298
  204    HA   PRO  32           HA       PRO  32   6.618  -2.936   6.085
  205    HB2  PRO  32           HB2      PRO  32   8.716  -1.374   5.354
  206    HB3  PRO  32           HB1      PRO  32   7.430  -0.813   6.429
  207    HG2  PRO  32           HG2      PRO  32  10.161  -1.830   7.114
  208    HG3  PRO  32           HG1      PRO  32   9.285  -0.441   7.783
  209    HD2  PRO  32           HD2      PRO  32   9.432  -2.820   9.064
  210    HD3  PRO  32           HD1      PRO  32   8.015  -1.757   9.188
  211    H    HIS  33           HN       HIS  33   6.785  -4.967   5.117
  212    HA   HIS  33           HA       HIS  33   9.006  -5.274   3.320
  213    HB2  HIS  33           HB2      HIS  33   9.359  -6.466   5.756
  214    HB3  HIS  33           HB1      HIS  33   8.627  -7.772   4.831
  215    HD1  HIS  33           HD1      HIS  33  11.420  -5.247   4.220
  216    HD2  HIS  33           HD2      HIS  33  10.520  -9.258   3.620
  217    HE1  HIS  33           HE1      HIS  33  13.459  -6.237   3.133
  218    HE2  HIS  33           HE2      HIS  33  12.858  -8.646   2.701
  219    H    SER  34           HN       SER  34   6.731  -4.803   2.319
  220    HA   SER  34           HA       SER  34   5.740  -7.350   1.348
  221    HB2  SER  34           HB2      SER  34   4.285  -5.743   3.140
  222    HB3  SER  34           HB1      SER  34   3.544  -5.490   1.559
  223    HG   SER  34           HG       SER  34   3.704  -7.801   3.110
  224    H    ASP  35           HN       ASP  35   3.705  -6.286  -0.265
  225    HA   ASP  35           HA       ASP  35   5.234  -4.636  -2.129
  226    HB2  ASP  35           HB2      ASP  35   3.952  -7.199  -2.506
  227    HB3  ASP  35           HB1      ASP  35   3.300  -6.003  -3.622
  228    H    PHE  36           HN       PHE  36   2.044  -5.381  -0.836
  229    HA   PHE  36           HA       PHE  36   0.552  -3.542  -2.321
  230    HB2  PHE  36           HB2      PHE  36  -1.144  -3.750  -0.601
  231    HB3  PHE  36           HB1      PHE  36  -0.429  -5.327  -0.911
  232    HD1  PHE  36           HD2      PHE  36   1.132  -6.318   0.723
  233    HD2  PHE  36           HD1      PHE  36  -0.964  -2.701   1.519
  234    HE1  PHE  36           HE2      PHE  36   1.618  -6.568   3.122
  235    HE2  PHE  36           HE1      PHE  36  -0.481  -2.944   3.919
  236    HZ   PHE  36           HZ       PHE  36   0.812  -4.880   4.723
  237    H    CYS  37           HN       CYS  37   2.663  -3.093   0.409
  238    HA   CYS  37           HA       CYS  37   1.699  -0.506   1.138
  239    HB2  CYS  37           HB2      CYS  37   4.469  -1.568   1.687
  240    HB3  CYS  37           HB1      CYS  37   3.549  -0.397   2.625
  241    H    LEU  38           HN       LEU  38   4.197  -1.713  -1.019
  242    HA   LEU  38           HA       LEU  38   5.456   0.763  -1.536
  243    HB2  LEU  38           HB2      LEU  38   5.295  -1.401  -3.598
  244    HB3  LEU  38           HB1      LEU  38   6.628  -0.327  -3.227
  245    HG   LEU  38           HG       LEU  38   5.740  -2.757  -1.686
  246   HD11  LEU  38          HD11      LEU  38   7.995  -2.046  -3.459
  247   HD12  LEU  38          HD12      LEU  38   7.183  -3.592  -3.215
  248   HD13  LEU  38          HD13      LEU  38   8.372  -3.027  -2.043
  249   HD21  LEU  38          HD21      LEU  38   7.439  -2.229  -0.037
  250   HD22  LEU  38          HD22      LEU  38   6.243  -0.936  -0.115
  251   HD23  LEU  38          HD23      LEU  38   7.818  -0.727  -0.879
  252    H    GLY  39           HN       GLY  39   2.591  -0.768  -2.789
  253    HA2  GLY  39           HA2      GLY  39   2.338   1.086  -5.005
  254    HA3  GLY  39           HA1      GLY  39   1.197  -0.176  -4.561
  255    H    CYS  40           HN       CYS  40   1.072   0.734  -1.759
  256    HA   CYS  40           HA       CYS  40  -1.076   2.574  -2.056
  257    HB2  CYS  40           HB2      CYS  40  -0.986   0.887  -0.252
  258    HB3  CYS  40           HB1      CYS  40   0.383   1.735   0.459
  259    H    ALA  41           HN       ALA  41   2.248   2.866  -0.871
  260    HA   ALA  41           HA       ALA  41   2.103   5.546  -0.046
  261    HB1  ALA  41           HB1      ALA  41   4.685   4.637  -1.130
  262    HB2  ALA  41           HB2      ALA  41   3.984   3.619   0.129
  263    HB3  ALA  41           HB3      ALA  41   4.290   5.326   0.445
  264    H    ALA  42           HN       ALA  42   4.014   6.994  -1.269
  265    HA   ALA  42           HA       ALA  42   3.822   7.016  -4.111
  266    HB1  ALA  42           HB1      ALA  42   1.781   7.976  -4.193
  267    HB2  ALA  42           HB2      ALA  42   2.698   9.450  -3.879
  268    HB3  ALA  42           HB3      ALA  42   1.894   8.612  -2.552
  269    H    ALA  43           HN       ALA  43   5.238   8.491  -5.060
  270    HA   ALA  43           HA       ALA  43   7.091   9.806  -5.202
  271    HB1  ALA  43           HB1      ALA  43   7.202  11.523  -3.151
  272    HB2  ALA  43           HB2      ALA  43   5.512  11.034  -3.027
  273    HB3  ALA  43           HB3      ALA  43   6.120  11.735  -4.527
  274    HA   PRO  44           HA       PRO  44   9.540   7.095  -2.448
  275    HB2  PRO  44           HB2      PRO  44  11.713   7.033  -4.098
  276    HB3  PRO  44           HB1      PRO  44  10.324   5.955  -4.271
  277    HG2  PRO  44           HG2      PRO  44  10.962   8.475  -5.753
  278    HG3  PRO  44           HG1      PRO  44  10.333   6.939  -6.376
  279    HD2  PRO  44           HD2      PRO  44   8.739   9.067  -5.945
  280    HD3  PRO  44           HD1      PRO  44   8.173   7.403  -5.696
  281    HA   PRO  45           HA       PRO  45  11.392  10.875  -0.714
  282    HB2  PRO  45           HB2      PRO  45  12.152   8.910   1.377
  283    HB3  PRO  45           HB1      PRO  45  11.344  10.473   1.542
  284    HG2  PRO  45           HG2      PRO  45   9.982   8.201   1.824
  285    HG3  PRO  45           HG1      PRO  45   9.261   9.603   1.013
  286    HD2  PRO  45           HD2      PRO  45  10.410   7.108  -0.173
  287    HD3  PRO  45           HD1      PRO  45   8.975   8.032  -0.663
  288    H    ALA  46           HN       ALA  46  13.325  11.569  -1.347
  289    HA   ALA  46           HA       ALA  46  15.524   9.627  -1.564
  290    HB1  ALA  46           HB1      ALA  46  16.102  10.560  -3.508
  291    HB2  ALA  46           HB2      ALA  46  15.962  12.195  -2.863
  292    HB3  ALA  46           HB3      ALA  46  14.529  11.357  -3.459
  293    HA   PRO  47           HA       PRO  47  17.268  11.865   1.915
  294    HB2  PRO  47           HB2      PRO  47  19.572  10.450   2.092
  295    HB3  PRO  47           HB1      PRO  47  18.023   9.829   2.675
  296    HG2  PRO  47           HG2      PRO  47  19.445   9.260   0.101
  297    HG3  PRO  47           HG1      PRO  47  18.614   8.136   1.193
  298    HD2  PRO  47           HD2      PRO  47  17.476   9.072  -1.080
  299    HD3  PRO  47           HD1      PRO  47  16.531   8.679   0.371
  300    H    PHE  48           HN       PHE  48  19.458  12.885   2.390
  301    HA   PHE  48           HA       PHE  48  20.661  13.918  -0.093
  302    HB2  PHE  48           HB2      PHE  48  19.937  15.416   2.427
  303    HB3  PHE  48           HB1      PHE  48  21.011  16.071   1.195
  304    HD1  PHE  48           HD1      PHE  48  19.944  15.758  -1.292
  305    HD2  PHE  48           HD2      PHE  48  17.786  16.176   2.351
  306    HE1  PHE  48           HE1      PHE  48  18.000  16.595  -2.546
  307    HE2  PHE  48           HE2      PHE  48  15.836  17.014   1.103
  308    HZ   PHE  48           HZ       PHE  48  15.943  17.224  -1.348
  309    H    ARG  49           HN       ARG  49  22.865  14.793   0.200
  310    HA   ARG  49           HA       ARG  49  25.031  14.642   0.886
  311    HB2  ARG  49           HB2      ARG  49  23.712  14.991   3.204
  312    HB3  ARG  49           HB1      ARG  49  24.380  13.391   3.495
  313    HG2  ARG  49           HG2      ARG  49  25.891  14.996   4.388
  314    HG3  ARG  49           HG1      ARG  49  26.630  14.304   2.944
  315    HD2  ARG  49           HD2      ARG  49  27.025  16.501   2.516
  316    HD3  ARG  49           HD1      ARG  49  25.417  16.373   1.804
  317    HE   ARG  49           HE       ARG  49  24.909  17.076   4.367
  318   HH11  ARG  49          HH11      ARG  49  26.964  18.411   1.883
  319   HH12  ARG  49          HH12      ARG  49  26.824  20.035   2.465
  320   HH21  ARG  49          HH21      ARG  49  24.723  19.211   5.135
  321   HH22  ARG  49          HH22      ARG  49  25.553  20.490   4.312
  322    H    LEU  50           HN       LEU  50  23.510  11.876   2.550
  323    HA   LEU  50           HA       LEU  50  25.579  10.108   1.605
  324    HB2  LEU  50           HB2      LEU  50  23.808  10.137   3.760
  325    HB3  LEU  50           HB1      LEU  50  23.275   8.788   2.776
  326    HG   LEU  50           HG       LEU  50  26.180   8.891   3.241
  327   HD11  LEU  50          HD11      LEU  50  26.231   8.460   5.492
  328   HD12  LEU  50          HD12      LEU  50  24.547   7.935   5.542
  329   HD13  LEU  50          HD13      LEU  50  24.932   9.651   5.416
  330   HD21  LEU  50          HD21      LEU  50  24.540   6.550   3.957
  331   HD22  LEU  50          HD22      LEU  50  26.015   6.656   2.995
  332   HD23  LEU  50          HD23      LEU  50  24.459   7.062   2.270
  333    H    LEU  51           HN       LEU  51  25.547   8.963  -0.208
  334    HA   LEU  51           HA       LEU  51  24.845   7.963  -2.127
  335    HB2  LEU  51           HB2      LEU  51  23.282   6.921  -0.235
  336    HB3  LEU  51           HB1      LEU  51  22.042   7.750  -1.158
  337    HG   LEU  51           HG       LEU  51  23.695   6.293  -2.979
  338   HD11  LEU  51          HD11      LEU  51  24.336   4.875  -1.134
  339   HD12  LEU  51          HD12      LEU  51  23.222   4.008  -2.192
  340   HD13  LEU  51          HD13      LEU  51  22.648   4.674  -0.663
  341   HD21  LEU  51          HD21      LEU  51  20.839   5.961  -2.070
  342   HD22  LEU  51          HD22      LEU  51  21.550   5.166  -3.474
  343   HD23  LEU  51          HD23      LEU  51  21.413   6.925  -3.432
  344    H    TRP  52           HN       TRP  52  22.983   8.096  -3.860
  345    HA   TRP  52           HA       TRP  52  22.433  10.959  -4.221
  346    HB2  TRP  52           HB2      TRP  52  23.254   8.795  -6.016
  347    HB3  TRP  52           HB1      TRP  52  21.930   9.764  -6.655
  348    HD1  TRP  52           HD1      TRP  52  22.664  11.838  -7.954
  349    HE1  TRP  52           HE1      TRP  52  24.788  13.286  -8.074
  350    HE3  TRP  52           HE3      TRP  52  25.396   9.578  -4.271
  351    HZ2  TRP  52           HZ2      TRP  52  27.292  13.449  -6.779
  352    HZ3  TRP  52           HZ3      TRP  52  27.647  10.441  -3.774
  353    HH2  TRP  52           HH2      TRP  52  28.574  12.335  -5.003
  354    HA   PRO  53           HA       PRO  53  18.073  10.584  -3.762
  355    HB2  PRO  53           HB2      PRO  53  17.879  12.065  -6.342
  356    HB3  PRO  53           HB1      PRO  53  17.125  12.417  -4.782
  357    HG2  PRO  53           HG2      PRO  53  19.213  13.834  -5.630
  358    HG3  PRO  53           HG1      PRO  53  19.052  13.384  -3.922
  359    HD2  PRO  53           HD2      PRO  53  20.831  12.238  -6.026
  360    HD3  PRO  53           HD1      PRO  53  21.140  12.483  -4.296
  Start of MODEL   15
    1    H1   GLU   1           HT1      GLU   1 -12.279 -18.773 -14.470
    2    H2   GLU   1           HT2      GLU   1 -11.830 -19.408 -16.001
    3    H3   GLU   1           HT3      GLU   1 -12.270 -17.757 -15.850
    4    HA   GLU   1           HA       GLU   1  -9.865 -19.122 -14.880
    5    HB2  GLU   1           HB2      GLU   1 -10.550 -16.937 -16.821
    6    HB3  GLU   1           HB1      GLU   1  -8.948 -17.003 -16.101
    7    HG2  GLU   1           HG2      GLU   1  -9.217 -19.555 -16.933
    8    HG3  GLU   1           HG1      GLU   1 -10.177 -18.712 -18.148
    9    H    GLN   2           HN       GLN   2 -11.853 -16.200 -14.617
   10    HA   GLN   2           HA       GLN   2 -10.156 -15.112 -12.535
   11    HB2  GLN   2           HB2      GLN   2 -12.059 -14.069 -14.377
   12    HB3  GLN   2           HB1      GLN   2 -12.625 -13.692 -12.756
   13    HG2  GLN   2           HG2      GLN   2 -11.002 -12.196 -12.399
   14    HG3  GLN   2           HG1      GLN   2  -9.775 -13.184 -13.191
   15   HE21  GLN   2          HE21      GLN   2 -12.507 -11.042 -13.812
   16   HE22  GLN   2          HE22      GLN   2 -11.931 -10.449 -15.328
   17    H    ALA   3           HN       ALA   3 -10.944 -14.562 -10.418
   18    HA   ALA   3           HA       ALA   3 -12.598 -16.662  -9.309
   19    HB1  ALA   3           HB1      ALA   3 -10.917 -16.358  -7.829
   20    HB2  ALA   3           HB2      ALA   3 -12.017 -15.143  -7.175
   21    HB3  ALA   3           HB3      ALA   3 -10.706 -14.657  -8.251
   22    HA   PRO   4           HA       PRO   4 -16.345 -14.338  -9.083
   23    HB2  PRO   4           HB2      PRO   4 -17.517 -15.471  -6.917
   24    HB3  PRO   4           HB1      PRO   4 -17.375 -16.301  -8.470
   25    HG2  PRO   4           HG2      PRO   4 -15.682 -16.571  -6.016
   26    HG3  PRO   4           HG1      PRO   4 -16.310 -17.838  -7.087
   27    HD2  PRO   4           HD2      PRO   4 -13.761 -16.930  -7.236
   28    HD3  PRO   4           HD1      PRO   4 -14.656 -17.508  -8.656
   29    H    GLY   5           HN       GLY   5 -14.284 -14.551  -6.250
   30    HA2  GLY   5           HA2      GLY   5 -15.568 -12.699  -4.591
   31    HA3  GLY   5           HA1      GLY   5 -13.849 -13.062  -4.560
   32    H    THR   6           HN       THR   6 -14.937 -10.514  -4.055
   33    HA   THR   6           HA       THR   6 -13.536  -9.002  -6.104
   34    HB   THR   6           HB       THR   6 -15.617  -7.339  -5.906
   35    HG1  THR   6           HG1      THR   6 -16.778  -8.832  -4.574
   36   HG21  THR   6          HG21      THR   6 -15.071  -7.859  -8.066
   37   HG22  THR   6          HG22      THR   6 -16.643  -8.644  -7.911
   38   HG23  THR   6          HG23      THR   6 -15.165  -9.598  -7.788
   39    H    ALA   7           HN       ALA   7 -12.974  -6.855  -5.434
   40    HA   ALA   7           HA       ALA   7 -13.572  -5.994  -2.752
   41    HB1  ALA   7           HB1      ALA   7 -11.686  -7.748  -2.619
   42    HB2  ALA   7           HB2      ALA   7 -11.483  -6.222  -1.758
   43    HB3  ALA   7           HB3      ALA   7 -10.669  -6.479  -3.302
   44    HA   PRO   8           HA       PRO   8 -12.761  -2.157  -4.821
   45    HB2  PRO   8           HB2      PRO   8 -12.909  -0.474  -2.735
   46    HB3  PRO   8           HB1      PRO   8 -14.335  -1.321  -3.347
   47    HG2  PRO   8           HG2      PRO   8 -12.627  -1.956  -0.972
   48    HG3  PRO   8           HG1      PRO   8 -14.393  -1.998  -1.125
   49    HD2  PRO   8           HD2      PRO   8 -12.790  -4.217  -1.286
   50    HD3  PRO   8           HD1      PRO   8 -14.382  -4.087  -2.058
   51    H    CYS   9           HN       CYS   9 -10.421  -3.462  -4.716
   52    HA   CYS   9           HA       CYS   9  -8.430  -2.325  -3.073
   53    HB2  CYS   9           HB2      CYS   9  -8.236  -3.758  -5.727
   54    HB3  CYS   9           HB1      CYS   9  -6.841  -3.309  -4.751
   55    H    SER  10           HN       SER  10  -6.386  -1.401  -4.448
   56    HA   SER  10           HA       SER  10  -5.482   0.386  -5.531
   57    HB2  SER  10           HB2      SER  10  -8.128   0.742  -6.946
   58    HB3  SER  10           HB1      SER  10  -6.534   1.269  -7.486
   59    HG   SER  10           HG       SER  10  -7.460  -1.401  -7.230
   60    H    ARG  11           HN       ARG  11  -8.910   1.336  -5.223
   61    HA   ARG  11           HA       ARG  11  -8.253   3.944  -4.302
   62    HB2  ARG  11           HB2      ARG  11 -10.911   2.547  -3.993
   63    HB3  ARG  11           HB1      ARG  11 -10.612   4.279  -4.050
   64    HG2  ARG  11           HG2      ARG  11  -9.719   2.757  -6.405
   65    HG3  ARG  11           HG1      ARG  11 -11.463   2.827  -6.146
   66    HD2  ARG  11           HD2      ARG  11 -10.984   4.685  -7.491
   67    HD3  ARG  11           HD1      ARG  11 -11.150   5.341  -5.863
   68    HE   ARG  11           HE       ARG  11  -8.498   4.884  -6.061
   69   HH11  ARG  11          HH11      ARG  11 -10.772   6.572  -8.101
   70   HH12  ARG  11          HH12      ARG  11  -9.596   7.694  -8.698
   71   HH21  ARG  11          HH21      ARG  11  -6.950   6.360  -6.844
   72   HH22  ARG  11          HH22      ARG  11  -7.426   7.574  -7.984
   73    H    GLY  12           HN       GLY  12  -6.752   3.066  -2.591
   74    HA2  GLY  12           HA2      GLY  12  -6.968   3.671  -0.152
   75    HA3  GLY  12           HA1      GLY  12  -8.249   2.469  -0.114
   76    H    SER  13           HN       SER  13  -7.617   0.229  -0.707
   77    HA   SER  13           HA       SER  13  -5.287  -0.531   0.765
   78    HB2  SER  13           HB2      SER  13  -5.994  -2.780   0.423
   79    HB3  SER  13           HB1      SER  13  -7.470  -1.836   0.613
   80    HG   SER  13           HG       SER  13  -6.394  -3.029  -1.684
   81    H    SER  14           HN       SER  14  -4.298  -2.705  -0.661
   82    HA   SER  14           HA       SER  14  -3.466  -1.837  -3.267
   83    HB2  SER  14           HB2      SER  14  -1.796  -1.351  -0.925
   84    HB3  SER  14           HB1      SER  14  -0.969  -2.296  -2.163
   85    HG   SER  14           HG       SER  14  -0.633  -0.209  -2.719
   86    H    TRP  15           HN       TRP  15  -2.558  -3.464  -4.510
   87    HA   TRP  15           HA       TRP  15  -3.144  -6.136  -3.640
   88    HB2  TRP  15           HB2      TRP  15  -3.653  -5.777  -5.892
   89    HB3  TRP  15           HB1      TRP  15  -2.162  -4.893  -6.192
   90    HD1  TRP  15           HD1      TRP  15  -0.240  -6.219  -7.272
   91    HE1  TRP  15           HE1      TRP  15   0.188  -8.697  -7.820
   92    HE3  TRP  15           HE3      TRP  15  -4.246  -8.294  -4.867
   93    HZ2  TRP  15           HZ2      TRP  15  -1.014 -11.195  -7.301
   94    HZ3  TRP  15           HZ3      TRP  15  -4.536 -10.733  -4.945
   95    HH2  TRP  15           HH2      TRP  15  -2.952 -12.154  -6.139
   96    H    SER  16           HN       SER  16  -1.582  -7.915  -3.814
   97    HA   SER  16           HA       SER  16   1.183  -7.129  -3.354
   98    HB2  SER  16           HB2      SER  16  -0.357  -7.745  -1.239
   99    HB3  SER  16           HB1      SER  16   0.164  -9.366  -1.697
  100    HG   SER  16           HG       SER  16   2.109  -8.925  -1.021
  101    H    ALA  17           HN       ALA  17   2.724  -8.573  -4.071
  102    HA   ALA  17           HA       ALA  17   1.679 -10.775  -5.713
  103    HB1  ALA  17           HB1      ALA  17   4.331  -9.347  -5.902
  104    HB2  ALA  17           HB2      ALA  17   2.927  -9.063  -6.932
  105    HB3  ALA  17           HB3      ALA  17   3.759 -10.618  -6.983
  106    H    ASP  18           HN       ASP  18   3.743 -10.014  -3.032
  107    HA   ASP  18           HA       ASP  18   5.406 -12.230  -2.924
  108    HB2  ASP  18           HB2      ASP  18   5.080 -10.084  -1.348
  109    HB3  ASP  18           HB1      ASP  18   4.249 -11.278  -0.356
  110    H    LEU  19           HN       LEU  19   2.013 -11.941  -2.149
  111    HA   LEU  19           HA       LEU  19   1.877 -14.840  -1.847
  112    HB2  LEU  19           HB2      LEU  19   2.034 -13.790   0.426
  113    HB3  LEU  19           HB1      LEU  19   0.533 -12.954   0.087
  114    HG   LEU  19           HG       LEU  19   0.657 -15.246   1.460
  115   HD11  LEU  19          HD11      LEU  19  -1.753 -15.505   0.101
  116   HD12  LEU  19          HD12      LEU  19  -1.370 -13.785   0.021
  117   HD13  LEU  19          HD13      LEU  19  -1.457 -14.599   1.583
  118   HD21  LEU  19          HD21      LEU  19  -0.073 -16.250  -1.273
  119   HD22  LEU  19          HD22      LEU  19   0.236 -17.169   0.199
  120   HD23  LEU  19          HD23      LEU  19   1.569 -16.381  -0.643
  121    H    ASP  20           HN       ASP  20   1.041 -12.595  -3.745
  122    HA   ASP  20           HA       ASP  20  -0.772 -11.939  -4.989
  123    HB2  ASP  20           HB2      ASP  20  -0.678 -14.888  -4.882
  124    HB3  ASP  20           HB1      ASP  20  -2.187 -14.205  -5.479
  125    H    LYS  21           HN       LYS  21  -1.681 -10.729  -3.171
  126    HA   LYS  21           HA       LYS  21  -4.430 -11.298  -2.837
  127    HB2  LYS  21           HB2      LYS  21  -2.644 -12.390  -0.853
  128    HB3  LYS  21           HB1      LYS  21  -3.703 -11.194  -0.120
  129    HG2  LYS  21           HG2      LYS  21  -5.648 -12.392  -1.054
  130    HG3  LYS  21           HG1      LYS  21  -4.551 -13.622  -1.687
  131    HD2  LYS  21           HD2      LYS  21  -3.847 -14.214   0.535
  132    HD3  LYS  21           HD1      LYS  21  -4.767 -12.878   1.228
  133    HE2  LYS  21           HE2      LYS  21  -6.751 -14.107  -0.050
  134    HE3  LYS  21           HE1      LYS  21  -5.696 -15.498   0.193
  135    HZ1  LYS  21           HZ1      LYS  21  -7.464 -14.720   1.987
  136    HZ2  LYS  21           HZ2      LYS  21  -6.154 -13.781   2.502
  137    HZ3  LYS  21           HZ3      LYS  21  -6.006 -15.464   2.416
  138    H    CYS  22           HN       CYS  22  -5.563  -9.507  -2.200
  139    HA   CYS  22           HA       CYS  22  -4.132  -7.025  -2.190
  140    HB2  CYS  22           HB2      CYS  22  -6.624  -7.726  -2.988
  141    HB3  CYS  22           HB1      CYS  22  -6.987  -7.024  -1.416
  142    H    MET  23           HN       MET  23  -4.079  -5.470  -0.532
  143    HA   MET  23           HA       MET  23  -5.021  -6.156   2.097
  144    HB2  MET  23           HB2      MET  23  -2.171  -6.351   1.320
  145    HB3  MET  23           HB1      MET  23  -2.505  -5.550   2.849
  146    HG2  MET  23           HG2      MET  23  -2.362  -7.636   3.657
  147    HG3  MET  23           HG1      MET  23  -4.043  -7.726   3.136
  148    HE1  MET  23           HE1      MET  23  -0.479  -8.917   2.767
  149    HE2  MET  23           HE2      MET  23  -0.761 -10.457   1.956
  150    HE3  MET  23           HE3      MET  23  -1.539 -10.120   3.502
  151    H    ASP  24           HN       ASP  24  -5.237  -4.391   3.444
  152    HA   ASP  24           HA       ASP  24  -5.483  -1.875   2.215
  153    HB2  ASP  24           HB2      ASP  24  -6.414  -2.986   4.529
  154    HB3  ASP  24           HB1      ASP  24  -5.209  -1.861   5.149
  155    H    CYS  25           HN       CYS  25  -4.490   0.106   3.539
  156    HA   CYS  25           HA       CYS  25  -1.687   0.046   2.939
  157    HB2  CYS  25           HB2      CYS  25  -3.634   2.012   3.039
  158    HB3  CYS  25           HB1      CYS  25  -2.620   2.380   4.429
  159    H    ALA  26           HN       ALA  26  -3.555  -0.587   5.728
  160    HA   ALA  26           HA       ALA  26  -1.235  -0.158   7.484
  161    HB1  ALA  26           HB1      ALA  26  -4.117  -0.596   8.256
  162    HB2  ALA  26           HB2      ALA  26  -3.324   0.975   8.136
  163    HB3  ALA  26           HB3      ALA  26  -2.785  -0.196   9.341
  164    H    SER  27           HN       SER  27  -0.019  -1.938   7.579
  165    HA   SER  27           HA       SER  27  -0.948  -4.292   8.796
  166    HB2  SER  27           HB2      SER  27  -1.647  -4.254   6.135
  167    HB3  SER  27           HB1      SER  27  -0.127  -5.147   6.113
  168    HG   SER  27           HG       SER  27  -2.207  -5.755   7.930
  169    H    CYS  28           HN       CYS  28   1.456  -2.871   6.634
  170    HA   CYS  28           HA       CYS  28   3.531  -4.618   7.604
  171    HB2  CYS  28           HB2      CYS  28   5.000  -3.283   6.085
  172    HB3  CYS  28           HB1      CYS  28   3.630  -4.034   5.276
  173    H    ARG  29           HN       ARG  29   2.634  -3.443   9.786
  174    HA   ARG  29           HA       ARG  29   4.358  -1.134  10.337
  175    HB2  ARG  29           HB2      ARG  29   1.738  -1.494  10.937
  176    HB3  ARG  29           HB1      ARG  29   2.483  -2.075  12.418
  177    HG2  ARG  29           HG2      ARG  29   2.303   0.102  12.981
  178    HG3  ARG  29           HG1      ARG  29   3.851   0.195  12.139
  179    HD2  ARG  29           HD2      ARG  29   2.793   0.969  10.138
  180    HD3  ARG  29           HD1      ARG  29   1.189   0.671  10.810
  181    HE   ARG  29           HE       ARG  29   2.336   2.447  12.536
  182   HH11  ARG  29          HH11      ARG  29   1.718   2.408   9.102
  183   HH12  ARG  29          HH12      ARG  29   1.542   4.128   8.988
  184   HH21  ARG  29          HH21      ARG  29   2.103   4.707  12.389
  185   HH22  ARG  29          HH22      ARG  29   1.762   5.433  10.854
  186    H    ALA  30           HN       ALA  30   5.386  -3.841  10.090
  187    HA   ALA  30           HA       ALA  30   7.096  -3.894  12.326
  188    HB1  ALA  30           HB1      ALA  30   4.738  -4.881  13.096
  189    HB2  ALA  30           HB2      ALA  30   6.273  -5.487  13.718
  190    HB3  ALA  30           HB3      ALA  30   5.444  -6.350  12.422
  191    H    ARG  31           HN       ARG  31   5.553  -5.814   9.791
  192    HA   ARG  31           HA       ARG  31   8.151  -7.083   9.236
  193    HB2  ARG  31           HB2      ARG  31   5.333  -8.023   8.984
  194    HB3  ARG  31           HB1      ARG  31   6.511  -8.626   7.827
  195    HG2  ARG  31           HG2      ARG  31   6.653 -10.233   9.437
  196    HG3  ARG  31           HG1      ARG  31   7.909  -9.125   9.991
  197    HD2  ARG  31           HD2      ARG  31   5.685  -8.106  11.202
  198    HD3  ARG  31           HD1      ARG  31   5.342  -9.836  11.214
  199    HE   ARG  31           HE       ARG  31   7.986  -9.286  12.109
  200   HH11  ARG  31          HH11      ARG  31   4.644  -9.241  13.113
  201   HH12  ARG  31          HH12      ARG  31   5.014  -9.446  14.791
  202   HH21  ARG  31          HH21      ARG  31   8.475  -9.556  14.318
  203   HH22  ARG  31          HH22      ARG  31   7.189  -9.626  15.476
  204    HA   PRO  32           HA       PRO  32   7.752  -4.186   5.721
  205    HB2  PRO  32           HB2      PRO  32  10.382  -4.373   5.005
  206    HB3  PRO  32           HB1      PRO  32   9.781  -3.268   6.246
  207    HG2  PRO  32           HG2      PRO  32  11.081  -5.945   6.559
  208    HG3  PRO  32           HG1      PRO  32  11.336  -4.459   7.493
  209    HD2  PRO  32           HD2      PRO  32   9.813  -6.483   8.411
  210    HD3  PRO  32           HD1      PRO  32   9.437  -4.785   8.768
  211    H    HIS  33           HN       HIS  33   9.152  -4.537   3.454
  212    HA   HIS  33           HA       HIS  33   9.280  -5.723   1.522
  213    HB2  HIS  33           HB2      HIS  33   9.754  -7.764   3.604
  214    HB3  HIS  33           HB1      HIS  33   9.236  -8.391   2.044
  215    HD1  HIS  33           HD1      HIS  33  11.912  -6.065   3.421
  216    HD2  HIS  33           HD2      HIS  33  11.264  -8.700   0.275
  217    HE1  HIS  33           HE1      HIS  33  14.097  -6.186   2.185
  218    HE2  HIS  33           HE2      HIS  33  13.654  -7.713   0.232
  219    H    SER  34           HN       SER  34   6.918  -4.769   1.763
  220    HA   SER  34           HA       SER  34   5.102  -6.955   1.099
  221    HB2  SER  34           HB2      SER  34   3.345  -5.147   2.045
  222    HB3  SER  34           HB1      SER  34   4.066  -6.402   3.054
  223    HG   SER  34           HG       SER  34   5.263  -3.862   2.732
  224    H    ASP  35           HN       ASP  35   4.466  -6.805  -0.937
  225    HA   ASP  35           HA       ASP  35   4.934  -4.541  -2.548
  226    HB2  ASP  35           HB2      ASP  35   4.133  -7.232  -2.934
  227    HB3  ASP  35           HB1      ASP  35   2.924  -6.220  -3.718
  228    H    PHE  36           HN       PHE  36   2.253  -5.488  -0.571
  229    HA   PHE  36           HA       PHE  36   0.353  -3.759  -1.870
  230    HB2  PHE  36           HB2      PHE  36  -1.186  -4.430  -0.140
  231    HB3  PHE  36           HB1      PHE  36  -0.309  -5.852  -0.695
  232    HD1  PHE  36           HD2      PHE  36   1.454  -6.845   0.720
  233    HD2  PHE  36           HD1      PHE  36  -1.006  -3.656   2.093
  234    HE1  PHE  36           HE2      PHE  36   2.112  -7.342   3.038
  235    HE2  PHE  36           HE1      PHE  36  -0.353  -4.146   4.413
  236    HZ   PHE  36           HZ       PHE  36   1.208  -5.992   4.889
  237    H    CYS  37           HN       CYS  37   2.960  -3.095   0.029
  238    HA   CYS  37           HA       CYS  37   1.648  -0.794   1.311
  239    HB2  CYS  37           HB2      CYS  37   4.030  -2.450   2.051
  240    HB3  CYS  37           HB1      CYS  37   3.948  -0.774   2.587
  241    H    LEU  38           HN       LEU  38   4.442  -1.785  -0.617
  242    HA   LEU  38           HA       LEU  38   5.593   0.777  -0.878
  243    HB2  LEU  38           HB2      LEU  38   6.806  -0.172  -2.791
  244    HB3  LEU  38           HB1      LEU  38   6.861  -1.218  -1.386
  245    HG   LEU  38           HG       LEU  38   4.882  -2.460  -2.500
  246   HD11  LEU  38          HD11      LEU  38   5.584  -0.494  -4.531
  247   HD12  LEU  38          HD12      LEU  38   4.141  -1.496  -4.370
  248   HD13  LEU  38          HD13      LEU  38   5.588  -2.150  -5.136
  249   HD21  LEU  38          HD21      LEU  38   7.765  -2.537  -3.273
  250   HD22  LEU  38          HD22      LEU  38   6.617  -3.612  -4.071
  251   HD23  LEU  38          HD23      LEU  38   6.825  -3.686  -2.321
  252    H    GLY  39           HN       GLY  39   2.956  -0.810  -2.499
  253    HA2  GLY  39           HA2      GLY  39   2.853   1.138  -4.649
  254    HA3  GLY  39           HA1      GLY  39   1.742  -0.198  -4.394
  255    H    CYS  40           HN       CYS  40   1.409   0.647  -1.538
  256    HA   CYS  40           HA       CYS  40  -0.696   2.595  -2.046
  257    HB2  CYS  40           HB2      CYS  40  -1.134   0.512  -0.737
  258    HB3  CYS  40           HB1      CYS  40  -0.051   1.116   0.512
  259    H    ALA  41           HN       ALA  41   2.238   3.294  -1.940
  260    HA   ALA  41           HA       ALA  41   2.798   4.707   0.424
  261    HB1  ALA  41           HB1      ALA  41   3.934   5.760  -2.087
  262    HB2  ALA  41           HB2      ALA  41   4.245   4.058  -1.745
  263    HB3  ALA  41           HB3      ALA  41   4.733   5.294  -0.585
  264    H    ALA  42           HN       ALA  42   1.788   5.984  -2.754
  265    HA   ALA  42           HA       ALA  42  -0.137   7.749  -1.714
  266    HB1  ALA  42           HB1      ALA  42   0.904   9.724  -1.382
  267    HB2  ALA  42           HB2      ALA  42   2.091   9.436  -2.654
  268    HB3  ALA  42           HB3      ALA  42   2.299   8.691  -1.070
  269    H    ALA  43           HN       ALA  43   2.362   7.587  -4.249
  270    HA   ALA  43           HA       ALA  43   0.240   8.084  -6.237
  271    HB1  ALA  43           HB1      ALA  43   2.353   9.696  -5.825
  272    HB2  ALA  43           HB2      ALA  43   1.566   9.499  -7.391
  273    HB3  ALA  43           HB3      ALA  43   3.036   8.597  -7.023
  274    HA   PRO  44           HA       PRO  44   1.678   3.816  -7.117
  275    HB2  PRO  44           HB2      PRO  44  -0.673   2.976  -8.171
  276    HB3  PRO  44           HB1      PRO  44  -0.368   3.014  -6.431
  277    HG2  PRO  44           HG2      PRO  44  -1.848   4.979  -8.137
  278    HG3  PRO  44           HG1      PRO  44  -2.277   4.337  -6.540
  279    HD2  PRO  44           HD2      PRO  44  -1.148   6.778  -6.878
  280    HD3  PRO  44           HD1      PRO  44  -0.859   5.780  -5.439
  281    HA   PRO  45           HA       PRO  45   2.847   4.231 -11.349
  282    HB2  PRO  45           HB2      PRO  45   1.789   1.469 -11.733
  283    HB3  PRO  45           HB1      PRO  45   3.378   2.133 -12.135
  284    HG2  PRO  45           HG2      PRO  45   3.069   0.553 -10.016
  285    HG3  PRO  45           HG1      PRO  45   4.151   1.958  -9.955
  286    HD2  PRO  45           HD2      PRO  45   1.429   1.608  -8.782
  287    HD3  PRO  45           HD1      PRO  45   2.827   2.497  -8.146
  288    H    ALA  46           HN       ALA  46   1.740   5.382 -12.788
  289    HA   ALA  46           HA       ALA  46  -0.973   4.490 -13.524
  290    HB1  ALA  46           HB1      ALA  46  -1.559   6.434 -12.527
  291    HB2  ALA  46           HB2      ALA  46  -1.108   7.105 -14.093
  292    HB3  ALA  46           HB3      ALA  46   0.034   7.158 -12.750
  293    HA   PRO  47           HA       PRO  47   1.548   4.080 -17.361
  294    HB2  PRO  47           HB2      PRO  47  -1.014   2.755 -18.104
  295    HB3  PRO  47           HB1      PRO  47   0.648   2.215 -18.363
  296    HG2  PRO  47           HG2      PRO  47  -0.854   1.111 -16.465
  297    HG3  PRO  47           HG1      PRO  47   0.870   1.425 -16.194
  298    HD2  PRO  47           HD2      PRO  47  -1.511   2.914 -15.182
  299    HD3  PRO  47           HD1      PRO  47   0.038   2.582 -14.381
  300    H    PHE  48           HN       PHE  48   0.502   4.271 -19.758
  301    HA   PHE  48           HA       PHE  48  -0.320   6.983 -19.962
  302    HB2  PHE  48           HB2      PHE  48   0.063   4.748 -21.929
  303    HB3  PHE  48           HB1      PHE  48  -0.677   6.261 -22.441
  304    HD1  PHE  48           HD2      PHE  48   0.835   8.261 -20.976
  305    HD2  PHE  48           HD1      PHE  48   2.169   4.690 -22.867
  306    HE1  PHE  48           HE2      PHE  48   3.067   9.254 -21.268
  307    HE2  PHE  48           HE1      PHE  48   4.404   5.675 -23.161
  308    HZ   PHE  48           HZ       PHE  48   4.855   7.961 -22.362
  309    H    ARG  49           HN       ARG  49  -2.295   7.754 -19.667
  310    HA   ARG  49           HA       ARG  49  -4.591   5.977 -20.155
  311    HB2  ARG  49           HB2      ARG  49  -3.999   8.003 -18.089
  312    HB3  ARG  49           HB1      ARG  49  -5.643   8.020 -18.710
  313    HG2  ARG  49           HG2      ARG  49  -4.422   5.441 -17.842
  314    HG3  ARG  49           HG1      ARG  49  -5.040   6.573 -16.638
  315    HD2  ARG  49           HD2      ARG  49  -7.227   6.523 -17.637
  316    HD3  ARG  49           HD1      ARG  49  -6.636   5.544 -18.978
  317    HE   ARG  49           HE       ARG  49  -6.072   4.038 -16.795
  318   HH11  ARG  49          HH11      ARG  49  -8.978   5.566 -17.979
  319   HH12  ARG  49          HH12      ARG  49 -10.032   4.377 -17.292
  320   HH21  ARG  49          HH21      ARG  49  -7.457   2.473 -15.891
  321   HH22  ARG  49          HH22      ARG  49  -9.169   2.620 -16.107
  322    H    LEU  50           HN       LEU  50  -3.676   9.419 -20.314
  323    HA   LEU  50           HA       LEU  50  -5.571   9.730 -22.546
  324    HB2  LEU  50           HB2      LEU  50  -5.821  11.115 -20.401
  325    HB3  LEU  50           HB1      LEU  50  -4.389  11.977 -20.934
  326    HG   LEU  50           HG       LEU  50  -5.832  12.246 -23.155
  327   HD11  LEU  50          HD11      LEU  50  -7.998  12.361 -21.094
  328   HD12  LEU  50          HD12      LEU  50  -7.671  10.873 -21.982
  329   HD13  LEU  50          HD13      LEU  50  -8.131  12.337 -22.853
  330   HD21  LEU  50          HD21      LEU  50  -6.699  14.401 -22.141
  331   HD22  LEU  50          HD22      LEU  50  -4.958  14.135 -22.052
  332   HD23  LEU  50          HD23      LEU  50  -5.964  13.869 -20.629
  333    H    LEU  51           HN       LEU  51  -4.673   9.814 -24.488
  334    HA   LEU  51           HA       LEU  51  -1.849  10.345 -24.796
  335    HB2  LEU  51           HB2      LEU  51  -4.038   9.307 -26.501
  336    HB3  LEU  51           HB1      LEU  51  -2.724  10.123 -27.328
  337    HG   LEU  51           HG       LEU  51  -1.423   8.388 -25.598
  338   HD11  LEU  51          HD11      LEU  51  -3.300   6.583 -26.968
  339   HD12  LEU  51          HD12      LEU  51  -3.944   7.439 -25.566
  340   HD13  LEU  51          HD13      LEU  51  -2.508   6.427 -25.400
  341   HD21  LEU  51          HD21      LEU  51  -0.442   8.511 -27.637
  342   HD22  LEU  51          HD22      LEU  51  -1.981   8.551 -28.498
  343   HD23  LEU  51          HD23      LEU  51  -1.349   7.020 -27.894
  344    H    TRP  52           HN       TRP  52  -1.069  11.867 -26.465
  345    HA   TRP  52           HA       TRP  52  -2.815  14.176 -26.899
  346    HB2  TRP  52           HB2      TRP  52  -0.130  14.230 -25.528
  347    HB3  TRP  52           HB1      TRP  52  -0.825  15.659 -26.286
  348    HD1  TRP  52           HD1      TRP  52  -1.407  13.259 -23.343
  349    HE1  TRP  52           HE1      TRP  52  -2.938  14.426 -21.633
  350    HE3  TRP  52           HE3      TRP  52  -2.567  17.455 -26.024
  351    HZ2  TRP  52           HZ2      TRP  52  -4.437  16.810 -21.447
  352    HZ3  TRP  52           HZ3      TRP  52  -4.056  19.129 -25.008
  353    HH2  TRP  52           HH2      TRP  52  -4.972  18.813 -22.767
  354    HA   PRO  53           HA       PRO  53  -1.009  14.197 -30.919
  355    HB2  PRO  53           HB2      PRO  53  -1.120  16.834 -31.557
  356    HB3  PRO  53           HB1      PRO  53  -2.550  15.799 -31.504
  357    HG2  PRO  53           HG2      PRO  53  -1.525  17.718 -29.449
  358    HG3  PRO  53           HG1      PRO  53  -3.189  17.454 -30.001
  359    HD2  PRO  53           HD2      PRO  53  -2.240  16.405 -27.693
  360    HD3  PRO  53           HD1      PRO  53  -3.460  15.579 -28.683
  Start of MODEL   16
    1    H1   GLU   1           HT1      GLU   1 -27.140   2.137  -0.743
    2    H2   GLU   1           HT2      GLU   1 -25.764   2.717   0.102
    3    H3   GLU   1           HT3      GLU   1 -26.664   1.397   0.728
    4    HA   GLU   1           HA       GLU   1 -25.143   1.422  -1.792
    5    HB2  GLU   1           HB2      GLU   1 -24.433   0.952   0.981
    6    HB3  GLU   1           HB1      GLU   1 -24.136  -0.478   0.001
    7    HG2  GLU   1           HG2      GLU   1 -23.201   2.077  -1.128
    8    HG3  GLU   1           HG1      GLU   1 -22.368   1.512   0.320
    9    H    GLN   2           HN       GLN   2 -24.642  -1.046  -2.227
   10    HA   GLN   2           HA       GLN   2 -27.244  -2.319  -2.492
   11    HB2  GLN   2           HB2      GLN   2 -24.553  -2.747  -3.748
   12    HB3  GLN   2           HB1      GLN   2 -25.786  -3.995  -3.853
   13    HG2  GLN   2           HG2      GLN   2 -27.277  -2.021  -4.708
   14    HG3  GLN   2           HG1      GLN   2 -25.719  -1.283  -5.077
   15   HE21  GLN   2          HE21      GLN   2 -28.121  -2.854  -6.469
   16   HE22  GLN   2          HE22      GLN   2 -27.277  -3.757  -7.677
   17    H    ALA   3           HN       ALA   3 -27.181  -4.814  -2.326
   18    HA   ALA   3           HA       ALA   3 -26.638  -5.466   0.384
   19    HB1  ALA   3           HB1      ALA   3 -27.139  -7.872  -0.686
   20    HB2  ALA   3           HB2      ALA   3 -27.809  -6.843  -1.952
   21    HB3  ALA   3           HB3      ALA   3 -28.403  -6.706  -0.297
   22    HA   PRO   4           HA       PRO   4 -23.185  -8.354  -1.320
   23    HB2  PRO   4           HB2      PRO   4 -22.538  -8.195  -3.947
   24    HB3  PRO   4           HB1      PRO   4 -23.795  -9.275  -3.336
   25    HG2  PRO   4           HG2      PRO   4 -24.070  -6.588  -4.626
   26    HG3  PRO   4           HG1      PRO   4 -25.024  -8.059  -4.891
   27    HD2  PRO   4           HD2      PRO   4 -25.886  -6.017  -3.331
   28    HD3  PRO   4           HD1      PRO   4 -26.313  -7.710  -3.013
   29    H    GLY   5           HN       GLY   5 -20.923  -7.980  -2.563
   30    HA2  GLY   5           HA2      GLY   5 -19.670  -5.870  -3.383
   31    HA3  GLY   5           HA1      GLY   5 -20.130  -5.251  -1.803
   32    H    THR   6           HN       THR   6 -18.085  -7.469  -3.540
   33    HA   THR   6           HA       THR   6 -16.462  -7.781  -1.105
   34    HB   THR   6           HB       THR   6 -17.523  -9.898  -1.396
   35    HG1  THR   6           HG1      THR   6 -15.567 -10.551  -0.976
   36   HG21  THR   6          HG21      THR   6 -16.549 -10.033  -4.233
   37   HG22  THR   6          HG22      THR   6 -18.185  -9.543  -3.789
   38   HG23  THR   6          HG23      THR   6 -17.609 -11.161  -3.387
   39    H    ALA   7           HN       ALA   7 -14.209  -8.716  -1.783
   40    HA   ALA   7           HA       ALA   7 -12.217  -8.351  -2.816
   41    HB1  ALA   7           HB1      ALA   7 -13.940  -7.862  -5.243
   42    HB2  ALA   7           HB2      ALA   7 -13.287  -9.416  -4.727
   43    HB3  ALA   7           HB3      ALA   7 -12.198  -8.134  -5.254
   44    HA   PRO   8           HA       PRO   8 -13.022  -3.708  -2.658
   45    HB2  PRO   8           HB2      PRO   8 -12.360  -3.189  -0.110
   46    HB3  PRO   8           HB1      PRO   8 -13.984  -3.728  -0.554
   47    HG2  PRO   8           HG2      PRO   8 -11.712  -5.304   0.592
   48    HG3  PRO   8           HG1      PRO   8 -13.433  -5.354   1.014
   49    HD2  PRO   8           HD2      PRO   8 -12.215  -7.172  -0.635
   50    HD3  PRO   8           HD1      PRO   8 -13.940  -6.765  -0.717
   51    H    CYS   9           HN       CYS   9 -10.918  -4.790  -3.902
   52    HA   CYS   9           HA       CYS   9  -8.431  -4.339  -2.590
   53    HB2  CYS   9           HB2      CYS   9  -9.305  -5.115  -5.323
   54    HB3  CYS   9           HB1      CYS   9  -7.696  -4.420  -5.160
   55    H    SER  10           HN       SER  10  -9.737  -2.769  -5.512
   56    HA   SER  10           HA       SER  10  -8.020  -0.576  -5.464
   57    HB2  SER  10           HB2      SER  10 -10.580  -1.231  -6.809
   58    HB3  SER  10           HB1      SER  10 -10.159   0.479  -6.725
   59    HG   SER  10           HG       SER  10  -8.340   0.098  -7.879
   60    H    ARG  11           HN       ARG  11  -8.361   1.618  -4.885
   61    HA   ARG  11           HA       ARG  11  -8.929   3.298  -3.462
   62    HB2  ARG  11           HB2      ARG  11 -11.559   1.842  -3.652
   63    HB3  ARG  11           HB1      ARG  11 -11.371   3.300  -2.687
   64    HG2  ARG  11           HG2      ARG  11 -10.322   4.140  -5.019
   65    HG3  ARG  11           HG1      ARG  11 -11.498   2.961  -5.605
   66    HD2  ARG  11           HD2      ARG  11 -12.968   4.278  -3.747
   67    HD3  ARG  11           HD1      ARG  11 -11.910   5.571  -4.309
   68    HE   ARG  11           HE       ARG  11 -14.051   4.332  -5.763
   69   HH11  ARG  11          HH11      ARG  11 -11.026   6.047  -6.062
   70   HH12  ARG  11          HH12      ARG  11 -11.380   6.648  -7.646
   71   HH21  ARG  11          HH21      ARG  11 -14.518   5.121  -7.847
   72   HH22  ARG  11          HH22      ARG  11 -13.363   6.124  -8.660
   73    H    GLY  12           HN       GLY  12  -7.684   3.053  -1.687
   74    HA2  GLY  12           HA2      GLY  12  -7.763   2.922   0.713
   75    HA3  GLY  12           HA1      GLY  12  -8.886   1.580   0.561
   76    H    SER  13           HN       SER  13  -8.120  -0.472   0.460
   77    HA   SER  13           HA       SER  13  -5.565  -1.039   1.418
   78    HB2  SER  13           HB2      SER  13  -7.121  -3.009  -0.242
   79    HB3  SER  13           HB1      SER  13  -6.111  -3.310   1.172
   80    HG   SER  13           HG       SER  13  -7.794  -3.007   2.378
   81    H    SER  14           HN       SER  14  -4.455  -3.026  -0.101
   82    HA   SER  14           HA       SER  14  -3.983  -2.060  -2.769
   83    HB2  SER  14           HB2      SER  14  -1.855  -1.936  -0.635
   84    HB3  SER  14           HB1      SER  14  -1.468  -1.973  -2.356
   85    HG   SER  14           HG       SER  14  -2.855   0.006  -0.895
   86    H    TRP  15           HN       TRP  15  -3.132  -3.594  -4.133
   87    HA   TRP  15           HA       TRP  15  -3.450  -6.302  -3.373
   88    HB2  TRP  15           HB2      TRP  15  -3.888  -5.893  -5.627
   89    HB3  TRP  15           HB1      TRP  15  -2.461  -4.886  -5.827
   90    HD1  TRP  15           HD1      TRP  15  -0.279  -6.042  -6.668
   91    HE1  TRP  15           HE1      TRP  15   0.306  -8.436  -7.408
   92    HE3  TRP  15           HE3      TRP  15  -4.496  -8.445  -5.060
   93    HZ2  TRP  15           HZ2      TRP  15  -0.866 -11.001  -7.321
   94    HZ3  TRP  15           HZ3      TRP  15  -4.686 -10.869  -5.429
   95    HH2  TRP  15           HH2      TRP  15  -2.906 -12.120  -6.537
   96    H    SER  16           HN       SER  16  -1.740  -7.980  -3.678
   97    HA   SER  16           HA       SER  16   0.952  -7.084  -3.083
   98    HB2  SER  16           HB2      SER  16  -0.080  -9.324  -1.410
   99    HB3  SER  16           HB1      SER  16   1.165  -8.131  -1.043
  100    HG   SER  16           HG       SER  16  -1.635  -7.666  -1.126
  101    H    ALA  17           HN       ALA  17   2.236  -8.054  -4.493
  102    HA   ALA  17           HA       ALA  17   1.405 -10.494  -5.812
  103    HB1  ALA  17           HB1      ALA  17   3.643 -10.127  -7.027
  104    HB2  ALA  17           HB2      ALA  17   3.665  -8.566  -6.208
  105    HB3  ALA  17           HB3      ALA  17   2.342  -8.968  -7.302
  106    H    ASP  18           HN       ASP  18   3.523  -9.546  -3.251
  107    HA   ASP  18           HA       ASP  18   5.434 -11.544  -3.258
  108    HB2  ASP  18           HB2      ASP  18   4.187  -9.841  -1.170
  109    HB3  ASP  18           HB1      ASP  18   5.077 -11.254  -0.612
  110    H    LEU  19           HN       LEU  19   2.055 -11.737  -2.460
  111    HA   LEU  19           HA       LEU  19   2.277 -14.623  -2.261
  112    HB2  LEU  19           HB2      LEU  19   0.775 -14.540  -0.174
  113    HB3  LEU  19           HB1      LEU  19   2.497 -14.278   0.017
  114    HG   LEU  19           HG       LEU  19   1.584 -11.718  -0.319
  115   HD11  LEU  19          HD11      LEU  19  -0.509 -11.407   0.385
  116   HD12  LEU  19          HD12      LEU  19  -0.336 -12.567   1.701
  117   HD13  LEU  19          HD13      LEU  19  -0.733 -13.129   0.078
  118   HD21  LEU  19          HD21      LEU  19   3.178 -12.303   1.342
  119   HD22  LEU  19          HD22      LEU  19   2.020 -13.332   2.183
  120   HD23  LEU  19          HD23      LEU  19   1.804 -11.582   2.179
  121    H    ASP  20           HN       ASP  20   1.028 -12.484  -3.981
  122    HA   ASP  20           HA       ASP  20  -0.948 -12.001  -5.032
  123    HB2  ASP  20           HB2      ASP  20  -1.406 -14.962  -4.622
  124    HB3  ASP  20           HB1      ASP  20  -2.093 -13.953  -5.891
  125    H    LYS  21           HN       LYS  21  -1.769 -10.744  -3.242
  126    HA   LYS  21           HA       LYS  21  -4.403 -11.418  -2.551
  127    HB2  LYS  21           HB2      LYS  21  -2.405 -12.484  -0.790
  128    HB3  LYS  21           HB1      LYS  21  -3.338 -11.268   0.070
  129    HG2  LYS  21           HG2      LYS  21  -5.041 -12.661   0.306
  130    HG3  LYS  21           HG1      LYS  21  -5.096 -12.965  -1.432
  131    HD2  LYS  21           HD2      LYS  21  -4.063 -14.942  -1.224
  132    HD3  LYS  21           HD1      LYS  21  -2.866 -14.296  -0.101
  133    HE2  LYS  21           HE2      LYS  21  -5.556 -14.531   1.027
  134    HE3  LYS  21           HE1      LYS  21  -4.847 -16.071   0.540
  135    HZ1  LYS  21           HZ1      LYS  21  -4.118 -15.821   2.699
  136    HZ2  LYS  21           HZ2      LYS  21  -3.893 -14.150   2.559
  137    HZ3  LYS  21           HZ3      LYS  21  -2.803 -15.214   1.824
  138    H    CYS  22           HN       CYS  22  -5.494  -9.713  -1.493
  139    HA   CYS  22           HA       CYS  22  -4.093  -7.175  -1.690
  140    HB2  CYS  22           HB2      CYS  22  -6.843  -8.068  -1.910
  141    HB3  CYS  22           HB1      CYS  22  -6.711  -6.680  -0.837
  142    H    MET  23           HN       MET  23  -3.720  -5.780  -0.014
  143    HA   MET  23           HA       MET  23  -4.557  -6.568   2.655
  144    HB2  MET  23           HB2      MET  23  -2.241  -7.437   2.194
  145    HB3  MET  23           HB1      MET  23  -1.718  -5.767   2.031
  146    HG2  MET  23           HG2      MET  23  -1.213  -5.986   4.201
  147    HG3  MET  23           HG1      MET  23  -2.928  -5.646   4.429
  148    HE1  MET  23           HE1      MET  23  -2.410  -7.072   7.045
  149    HE2  MET  23           HE2      MET  23  -0.814  -6.985   6.302
  150    HE3  MET  23           HE3      MET  23  -1.422  -8.525   6.906
  151    H    ASP  24           HN       ASP  24  -5.106  -4.899   3.958
  152    HA   ASP  24           HA       ASP  24  -5.537  -2.360   2.844
  153    HB2  ASP  24           HB2      ASP  24  -6.452  -3.658   5.056
  154    HB3  ASP  24           HB1      ASP  24  -5.368  -2.478   5.786
  155    H    CYS  25           HN       CYS  25  -4.693  -0.294   3.698
  156    HA   CYS  25           HA       CYS  25  -1.834  -0.288   3.590
  157    HB2  CYS  25           HB2      CYS  25  -3.690   1.502   2.831
  158    HB3  CYS  25           HB1      CYS  25  -3.282   2.171   4.408
  159    H    ALA  26           HN       ALA  26  -4.237  -0.053   6.109
  160    HA   ALA  26           HA       ALA  26  -2.411   0.897   8.115
  161    HB1  ALA  26           HB1      ALA  26  -4.960  -0.462   8.837
  162    HB2  ALA  26           HB2      ALA  26  -5.031   1.076   7.978
  163    HB3  ALA  26           HB3      ALA  26  -4.207   0.972   9.534
  164    H    SER  27           HN       SER  27  -0.926  -0.980   7.296
  165    HA   SER  27           HA       SER  27  -0.608  -2.785   9.414
  166    HB2  SER  27           HB2      SER  27  -2.625  -3.690   7.861
  167    HB3  SER  27           HB1      SER  27  -1.254  -4.420   7.025
  168    HG   SER  27           HG       SER  27  -1.914  -5.831   8.611
  169    H    CYS  28           HN       CYS  28   1.249  -1.247   8.573
  170    HA   CYS  28           HA       CYS  28   3.053  -2.961   7.064
  171    HB2  CYS  28           HB2      CYS  28   1.961  -0.852   5.828
  172    HB3  CYS  28           HB1      CYS  28   3.316  -0.043   6.609
  173    H    ARG  29           HN       ARG  29   3.041  -2.860   9.794
  174    HA   ARG  29           HA       ARG  29   4.660  -0.930  11.001
  175    HB2  ARG  29           HB2      ARG  29   4.265  -3.851  11.669
  176    HB3  ARG  29           HB1      ARG  29   5.140  -2.728  12.700
  177    HG2  ARG  29           HG2      ARG  29   3.164  -1.418  13.053
  178    HG3  ARG  29           HG1      ARG  29   2.269  -2.375  11.872
  179    HD2  ARG  29           HD2      ARG  29   2.428  -4.332  13.275
  180    HD3  ARG  29           HD1      ARG  29   3.456  -3.470  14.418
  181    HE   ARG  29           HE       ARG  29   1.183  -1.979  14.327
  182   HH11  ARG  29          HH11      ARG  29   1.858  -5.345  14.957
  183   HH12  ARG  29          HH12      ARG  29   0.509  -5.545  16.023
  184   HH21  ARG  29          HH21      ARG  29  -0.593  -2.241  15.729
  185   HH22  ARG  29          HH22      ARG  29  -0.884  -3.784  16.461
  186    H    ALA  30           HN       ALA  30   5.447  -3.722   9.076
  187    HA   ALA  30           HA       ALA  30   8.258  -3.708   9.683
  188    HB1  ALA  30           HB1      ALA  30   7.025  -5.751   9.022
  189    HB2  ALA  30           HB2      ALA  30   8.428  -5.428   8.001
  190    HB3  ALA  30           HB3      ALA  30   6.805  -5.056   7.416
  191    H    ARG  31           HN       ARG  31   6.167  -2.119   7.463
  192    HA   ARG  31           HA       ARG  31   6.444  -0.717   5.749
  193    HB2  ARG  31           HB2      ARG  31   7.561   0.448   7.696
  194    HB3  ARG  31           HB1      ARG  31   9.089   0.021   6.971
  195    HG2  ARG  31           HG2      ARG  31   8.553   2.244   6.314
  196    HG3  ARG  31           HG1      ARG  31   8.356   1.204   4.899
  197    HD2  ARG  31           HD2      ARG  31   6.333   2.139   4.702
  198    HD3  ARG  31           HD1      ARG  31   5.875   1.103   6.057
  199    HE   ARG  31           HE       ARG  31   5.770   2.957   7.395
  200   HH11  ARG  31          HH11      ARG  31   7.480   3.782   4.466
  201   HH12  ARG  31          HH12      ARG  31   7.520   5.477   4.819
  202   HH21  ARG  31          HH21      ARG  31   5.823   5.186   7.861
  203   HH22  ARG  31          HH22      ARG  31   6.581   6.274   6.747
  204    HA   PRO  32           HA       PRO  32   9.902  -1.837   2.850
  205    HB2  PRO  32           HB2      PRO  32  12.426  -2.381   3.683
  206    HB3  PRO  32           HB1      PRO  32  11.852  -0.738   3.376
  207    HG2  PRO  32           HG2      PRO  32  12.100  -2.202   5.976
  208    HG3  PRO  32           HG1      PRO  32  12.557  -0.533   5.586
  209    HD2  PRO  32           HD2      PRO  32  10.271  -1.121   6.870
  210    HD3  PRO  32           HD1      PRO  32  10.385   0.231   5.728
  211    H    HIS  33           HN       HIS  33   8.340  -3.710   3.384
  212    HA   HIS  33           HA       HIS  33   9.718  -6.142   3.001
  213    HB2  HIS  33           HB2      HIS  33   9.382  -5.394   5.724
  214    HB3  HIS  33           HB1      HIS  33   8.287  -6.735   5.408
  215    HD1  HIS  33           HD1      HIS  33  11.575  -6.520   3.636
  216    HD2  HIS  33           HD2      HIS  33   9.868  -8.536   6.844
  217    HE1  HIS  33           HE1      HIS  33  13.213  -8.329   4.242
  218    HE2  HIS  33           HE2      HIS  33  12.202  -9.476   6.244
  219    H    SER  34           HN       SER  34   7.664  -4.756   1.693
  220    HA   SER  34           HA       SER  34   5.775  -6.838   1.346
  221    HB2  SER  34           HB2      SER  34   4.995  -4.480   3.005
  222    HB3  SER  34           HB1      SER  34   3.804  -5.152   1.891
  223    HG   SER  34           HG       SER  34   5.109  -6.433   4.049
  224    H    ASP  35           HN       ASP  35   4.947  -6.749  -0.660
  225    HA   ASP  35           HA       ASP  35   5.815  -4.681  -2.414
  226    HB2  ASP  35           HB2      ASP  35   5.481  -7.181  -2.944
  227    HB3  ASP  35           HB1      ASP  35   3.776  -6.775  -3.122
  228    H    PHE  36           HN       PHE  36   2.832  -5.446  -0.763
  229    HA   PHE  36           HA       PHE  36   1.113  -3.807  -2.293
  230    HB2  PHE  36           HB2      PHE  36  -0.460  -4.030  -0.460
  231    HB3  PHE  36           HB1      PHE  36   0.322  -5.579  -0.752
  232    HD1  PHE  36           HD2      PHE  36   0.472  -2.579   1.432
  233    HD2  PHE  36           HD1      PHE  36   1.352  -6.719   0.987
  234    HE1  PHE  36           HE2      PHE  36   1.114  -2.693   3.804
  235    HE2  PHE  36           HE1      PHE  36   1.994  -6.841   3.360
  236    HZ   PHE  36           HZ       PHE  36   1.875  -4.826   4.772
  237    H    CYS  37           HN       CYS  37   3.235  -3.161   0.420
  238    HA   CYS  37           HA       CYS  37   2.212  -0.589   1.042
  239    HB2  CYS  37           HB2      CYS  37   4.079  -2.299   2.163
  240    HB3  CYS  37           HB1      CYS  37   5.059  -0.951   1.598
  241    H    LEU  38           HN       LEU  38   4.548  -1.775  -1.268
  242    HA   LEU  38           HA       LEU  38   5.838   0.632  -1.896
  243    HB2  LEU  38           HB2      LEU  38   6.179  -1.900  -2.670
  244    HB3  LEU  38           HB1      LEU  38   5.294  -1.322  -4.068
  245    HG   LEU  38           HG       LEU  38   7.547   0.386  -3.238
  246   HD11  LEU  38          HD11      LEU  38   8.131  -2.215  -3.027
  247   HD12  LEU  38          HD12      LEU  38   9.280  -1.017  -3.624
  248   HD13  LEU  38          HD13      LEU  38   8.369  -2.008  -4.762
  249   HD21  LEU  38          HD21      LEU  38   6.204  -0.535  -5.715
  250   HD22  LEU  38          HD22      LEU  38   7.901  -0.071  -5.831
  251   HD23  LEU  38          HD23      LEU  38   6.712   1.084  -5.232
  252    H    GLY  39           HN       GLY  39   2.729  -0.648  -2.837
  253    HA2  GLY  39           HA2      GLY  39   2.350   1.361  -4.901
  254    HA3  GLY  39           HA1      GLY  39   1.196   0.124  -4.423
  255    H    CYS  40           HN       CYS  40   1.044   0.637  -1.683
  256    HA   CYS  40           HA       CYS  40  -0.773   2.829  -1.678
  257    HB2  CYS  40           HB2      CYS  40  -0.773   0.676  -0.218
  258    HB3  CYS  40           HB1      CYS  40   0.315   1.582   0.827
  259    H    ALA  41           HN       ALA  41   2.590   2.466  -0.896
  260    HA   ALA  41           HA       ALA  41   2.985   4.630   0.814
  261    HB1  ALA  41           HB1      ALA  41   5.318   4.593   0.045
  262    HB2  ALA  41           HB2      ALA  41   4.854   3.524  -1.278
  263    HB3  ALA  41           HB3      ALA  41   4.710   2.975   0.391
  264    H    ALA  42           HN       ALA  42   2.916   4.504  -2.724
  265    HA   ALA  42           HA       ALA  42   2.640   6.120  -4.301
  266    HB1  ALA  42           HB1      ALA  42   0.748   7.073  -3.528
  267    HB2  ALA  42           HB2      ALA  42   1.822   8.428  -3.178
  268    HB3  ALA  42           HB3      ALA  42   1.393   7.290  -1.901
  269    H    ALA  43           HN       ALA  43   3.559   8.287  -1.645
  270    HA   ALA  43           HA       ALA  43   6.286   8.496  -2.475
  271    HB1  ALA  43           HB1      ALA  43   5.839   9.877  -4.211
  272    HB2  ALA  43           HB2      ALA  43   5.803  11.092  -2.933
  273    HB3  ALA  43           HB3      ALA  43   4.296  10.404  -3.538
  274    HA   PRO  44           HA       PRO  44   5.389   9.816   1.868
  275    HB2  PRO  44           HB2      PRO  44   7.349   8.351   3.015
  276    HB3  PRO  44           HB1      PRO  44   5.763   7.674   2.628
  277    HG2  PRO  44           HG2      PRO  44   8.337   7.458   1.113
  278    HG3  PRO  44           HG1      PRO  44   7.133   6.202   1.458
  279    HD2  PRO  44           HD2      PRO  44   7.279   7.491  -0.929
  280    HD3  PRO  44           HD1      PRO  44   5.757   6.873  -0.258
  281    HA   PRO  45           HA       PRO  45   8.557  12.907   1.935
  282    HB2  PRO  45           HB2      PRO  45   8.577  13.554   4.567
  283    HB3  PRO  45           HB1      PRO  45   7.263  14.016   3.479
  284    HG2  PRO  45           HG2      PRO  45   7.404  11.741   5.420
  285    HG3  PRO  45           HG1      PRO  45   6.063  12.857   5.099
  286    HD2  PRO  45           HD2      PRO  45   6.161  10.352   4.067
  287    HD3  PRO  45           HD1      PRO  45   5.392  11.708   3.217
  288    H    ALA  46           HN       ALA  46  10.710  13.327   2.621
  289    HA   ALA  46           HA       ALA  46  12.017  11.318   4.284
  290    HB1  ALA  46           HB1      ALA  46  13.465  11.900   1.784
  291    HB2  ALA  46           HB2      ALA  46  12.029  10.889   1.629
  292    HB3  ALA  46           HB3      ALA  46  13.338  10.401   2.703
  293    HA   PRO  47           HA       PRO  47  14.241  14.779   5.886
  294    HB2  PRO  47           HB2      PRO  47  16.607  12.978   5.922
  295    HB3  PRO  47           HB1      PRO  47  15.876  13.903   7.238
  296    HG2  PRO  47           HG2      PRO  47  15.553  11.263   7.082
  297    HG3  PRO  47           HG1      PRO  47  14.229  12.316   7.615
  298    HD2  PRO  47           HD2      PRO  47  14.643  10.973   4.977
  299    HD3  PRO  47           HD1      PRO  47  13.140  11.244   5.883
  300    H    PHE  48           HN       PHE  48  15.525  16.408   5.141
  301    HA   PHE  48           HA       PHE  48  16.603  16.087   2.451
  302    HB2  PHE  48           HB2      PHE  48  15.120  18.015   3.001
  303    HB3  PHE  48           HB1      PHE  48  16.348  18.599   4.119
  304    HD1  PHE  48           HD2      PHE  48  15.994  17.567   0.553
  305    HD2  PHE  48           HD1      PHE  48  17.848  20.166   3.367
  306    HE1  PHE  48           HE2      PHE  48  17.086  18.777  -1.291
  307    HE2  PHE  48           HE1      PHE  48  18.943  21.381   1.529
  308    HZ   PHE  48           HZ       PHE  48  18.564  20.687  -0.804
  309    H    ARG  49           HN       ARG  49  18.479  14.898   2.867
  310    HA   ARG  49           HA       ARG  49  20.714  14.641   3.197
  311    HB2  ARG  49           HB2      ARG  49  20.374  17.565   3.156
  312    HB3  ARG  49           HB1      ARG  49  21.814  17.011   3.999
  313    HG2  ARG  49           HG2      ARG  49  22.847  16.475   2.101
  314    HG3  ARG  49           HG1      ARG  49  21.418  15.671   1.448
  315    HD2  ARG  49           HD2      ARG  49  20.696  17.533   0.369
  316    HD3  ARG  49           HD1      ARG  49  21.338  18.626   1.596
  317    HE   ARG  49           HE       ARG  49  22.618  17.833  -0.809
  318   HH11  ARG  49          HH11      ARG  49  23.255  18.630   2.528
  319   HH12  ARG  49          HH12      ARG  49  24.874  19.163   2.222
  320   HH21  ARG  49          HH21      ARG  49  24.748  18.532  -1.214
  321   HH22  ARG  49          HH22      ARG  49  25.722  19.107   0.098
  322    H    LEU  50           HN       LEU  50  19.834  17.129   5.599
  323    HA   LEU  50           HA       LEU  50  19.897  17.140   7.870
  324    HB2  LEU  50           HB2      LEU  50  19.055  14.553   7.193
  325    HB3  LEU  50           HB1      LEU  50  20.302  14.329   8.402
  326    HG   LEU  50           HG       LEU  50  17.827  16.026   8.729
  327   HD11  LEU  50          HD11      LEU  50  17.003  13.898   8.913
  328   HD12  LEU  50          HD12      LEU  50  17.515  14.188  10.576
  329   HD13  LEU  50          HD13      LEU  50  18.530  13.236   9.493
  330   HD21  LEU  50          HD21      LEU  50  18.606  16.750  10.721
  331   HD22  LEU  50          HD22      LEU  50  20.172  16.475   9.959
  332   HD23  LEU  50          HD23      LEU  50  19.492  15.260  11.041
  333    H    LEU  51           HN       LEU  51  21.922  14.277   7.253
  334    HA   LEU  51           HA       LEU  51  24.244  15.803   8.223
  335    HB2  LEU  51           HB2      LEU  51  24.999  13.715   9.380
  336    HB3  LEU  51           HB1      LEU  51  23.587  14.481  10.084
  337    HG   LEU  51           HG       LEU  51  22.274  12.768   8.590
  338   HD11  LEU  51          HD11      LEU  51  25.021  11.569   8.788
  339   HD12  LEU  51          HD12      LEU  51  24.026  11.800   7.351
  340   HD13  LEU  51          HD13      LEU  51  23.571  10.593   8.553
  341   HD21  LEU  51          HD21      LEU  51  22.796  12.956  11.218
  342   HD22  LEU  51          HD22      LEU  51  23.557  11.404  10.869
  343   HD23  LEU  51          HD23      LEU  51  21.849  11.649  10.505
  344    H    TRP  52           HN       TRP  52  26.301  14.313   7.871
  345    HA   TRP  52           HA       TRP  52  26.416  12.471   5.793
  346    HB2  TRP  52           HB2      TRP  52  25.941  15.094   4.828
  347    HB3  TRP  52           HB1      TRP  52  27.611  14.698   4.432
  348    HD1  TRP  52           HD1      TRP  52  24.523  14.650   2.753
  349    HE1  TRP  52           HE1      TRP  52  24.337  12.766   1.009
  350    HE3  TRP  52           HE3      TRP  52  28.369  11.684   4.348
  351    HZ2  TRP  52           HZ2      TRP  52  25.648  10.343   0.392
  352    HZ3  TRP  52           HZ3      TRP  52  28.837   9.601   3.126
  353    HH2  TRP  52           HH2      TRP  52  27.504   8.945   1.190
  354    HA   PRO  53           HA       PRO  53  30.859  14.533   6.514
  355    HB2  PRO  53           HB2      PRO  53  30.088  16.011   8.985
  356    HB3  PRO  53           HB1      PRO  53  31.263  16.441   7.737
  357    HG2  PRO  53           HG2      PRO  53  28.895  17.650   7.838
  358    HG3  PRO  53           HG1      PRO  53  29.632  17.220   6.283
  359    HD2  PRO  53           HD2      PRO  53  27.387  15.909   7.747
  360    HD3  PRO  53           HD1      PRO  53  27.625  16.123   6.002
  Start of MODEL   17
    1    H1   GLU   1           HT1      GLU   1   6.044  -0.236 -24.056
    2    H2   GLU   1           HT2      GLU   1   4.794   0.836 -23.573
    3    H3   GLU   1           HT3      GLU   1   4.702   0.032 -25.087
    4    HA   GLU   1           HA       GLU   1   3.267  -1.114 -23.745
    5    HB2  GLU   1           HB2      GLU   1   5.953  -2.307 -24.191
    6    HB3  GLU   1           HB1      GLU   1   4.845  -3.209 -23.168
    7    HG2  GLU   1           HG2      GLU   1   3.854  -2.206 -25.782
    8    HG3  GLU   1           HG1      GLU   1   4.946  -3.590 -25.766
    9    H    GLN   2           HN       GLN   2   2.712  -2.125 -21.742
   10    HA   GLN   2           HA       GLN   2   4.369  -2.011 -19.447
   11    HB2  GLN   2           HB2      GLN   2   3.019  -0.296 -18.202
   12    HB3  GLN   2           HB1      GLN   2   4.030   0.353 -19.486
   13    HG2  GLN   2           HG2      GLN   2   2.233   1.407 -20.230
   14    HG3  GLN   2           HG1      GLN   2   1.613  -0.165 -20.730
   15   HE21  GLN   2          HE21      GLN   2   1.861   1.837 -17.809
   16   HE22  GLN   2          HE22      GLN   2   0.270   1.491 -17.230
   17    H    ALA   3           HN       ALA   3   3.298  -2.794 -17.527
   18    HA   ALA   3           HA       ALA   3   1.259  -4.712 -18.151
   19    HB1  ALA   3           HB1      ALA   3   2.959  -5.379 -16.619
   20    HB2  ALA   3           HB2      ALA   3   1.446  -5.282 -15.718
   21    HB3  ALA   3           HB3      ALA   3   2.642  -3.994 -15.573
   22    HA   PRO   4           HA       PRO   4  -2.227  -2.193 -17.064
   23    HB2  PRO   4           HB2      PRO   4  -4.090  -4.120 -16.753
   24    HB3  PRO   4           HB1      PRO   4  -3.452  -3.671 -18.340
   25    HG2  PRO   4           HG2      PRO   4  -2.717  -5.984 -16.588
   26    HG3  PRO   4           HG1      PRO   4  -2.979  -5.947 -18.341
   27    HD2  PRO   4           HD2      PRO   4  -0.505  -5.910 -17.203
   28    HD3  PRO   4           HD1      PRO   4  -0.867  -5.148 -18.765
   29    H    GLY   5           HN       GLY   5  -1.729  -5.120 -15.087
   30    HA2  GLY   5           HA2      GLY   5  -1.758  -5.411 -12.807
   31    HA3  GLY   5           HA1      GLY   5  -1.641  -3.664 -12.653
   32    H    THR   6           HN       THR   6  -4.022  -6.144 -13.597
   33    HA   THR   6           HA       THR   6  -6.056  -4.587 -12.140
   34    HB   THR   6           HB       THR   6  -6.756  -6.569 -14.279
   35    HG1  THR   6           HG1      THR   6  -6.040  -5.314 -15.780
   36   HG21  THR   6          HG21      THR   6  -8.804  -5.741 -14.134
   37   HG22  THR   6          HG22      THR   6  -8.219  -4.080 -14.206
   38   HG23  THR   6          HG23      THR   6  -8.277  -4.929 -12.661
   39    H    ALA   7           HN       ALA   7  -6.722  -5.507 -10.324
   40    HA   ALA   7           HA       ALA   7  -6.958  -8.429 -10.211
   41    HB1  ALA   7           HB1      ALA   7  -4.914  -8.144  -9.108
   42    HB2  ALA   7           HB2      ALA   7  -6.100  -8.257  -7.808
   43    HB3  ALA   7           HB3      ALA   7  -5.461  -6.684  -8.284
   44    HA   PRO   8           HA       PRO   8 -10.879  -7.711  -8.333
   45    HB2  PRO   8           HB2      PRO   8 -10.405  -9.906  -6.432
   46    HB3  PRO   8           HB1      PRO   8 -11.592  -9.786  -7.732
   47    HG2  PRO   8           HG2      PRO   8  -9.479 -11.438  -7.890
   48    HG3  PRO   8           HG1      PRO   8 -10.140 -10.618  -9.317
   49    HD2  PRO   8           HD2      PRO   8  -7.719  -9.935  -7.687
   50    HD3  PRO   8           HD1      PRO   8  -7.933  -9.915  -9.451
   51    H    CYS   9           HN       CYS   9  -9.568  -5.761  -7.366
   52    HA   CYS   9           HA       CYS   9 -10.330  -5.580  -4.622
   53    HB2  CYS   9           HB2      CYS   9  -7.727  -6.472  -5.108
   54    HB3  CYS   9           HB1      CYS   9  -7.549  -4.765  -4.718
   55    H    SER  10           HN       SER  10 -11.362  -3.699  -4.677
   56    HA   SER  10           HA       SER  10  -9.944  -1.304  -5.443
   57    HB2  SER  10           HB2      SER  10 -11.057  -2.294  -7.556
   58    HB3  SER  10           HB1      SER  10 -12.578  -1.787  -6.820
   59    HG   SER  10           HG       SER  10 -11.858  -0.123  -8.105
   60    H    ARG  11           HN       ARG  11 -10.221  -0.568  -3.367
   61    HA   ARG  11           HA       ARG  11 -12.737   0.652  -2.774
   62    HB2  ARG  11           HB2      ARG  11 -12.741  -1.893  -1.981
   63    HB3  ARG  11           HB1      ARG  11 -11.892  -1.204  -0.603
   64    HG2  ARG  11           HG2      ARG  11 -13.715   0.013   0.086
   65    HG3  ARG  11           HG1      ARG  11 -14.433   0.050  -1.525
   66    HD2  ARG  11           HD2      ARG  11 -15.770  -1.414  -0.240
   67    HD3  ARG  11           HD1      ARG  11 -14.790  -2.436  -1.291
   68    HE   ARG  11           HE       ARG  11 -13.363  -2.234   1.041
   69   HH11  ARG  11          HH11      ARG  11 -16.566  -3.315   0.171
   70   HH12  ARG  11          HH12      ARG  11 -16.659  -4.472   1.456
   71   HH21  ARG  11          HH21      ARG  11 -13.485  -3.754   2.731
   72   HH22  ARG  11          HH22      ARG  11 -14.911  -4.721   2.910
   73    H    GLY  12           HN       GLY  12 -10.013  -0.574  -0.817
   74    HA2  GLY  12           HA2      GLY  12  -8.825   2.019  -0.578
   75    HA3  GLY  12           HA1      GLY  12  -9.723   1.577   0.865
   76    H    SER  13           HN       SER  13  -8.069  -0.786  -1.116
   77    HA   SER  13           HA       SER  13  -5.853  -0.904   0.787
   78    HB2  SER  13           HB2      SER  13  -7.450  -3.357   0.032
   79    HB3  SER  13           HB1      SER  13  -6.108  -3.269   1.174
   80    HG   SER  13           HG       SER  13  -8.751  -2.366   1.449
   81    H    SER  14           HN       SER  14  -3.970  -1.878  -0.018
   82    HA   SER  14           HA       SER  14  -3.728  -1.764  -2.874
   83    HB2  SER  14           HB2      SER  14  -1.273  -2.406  -2.222
   84    HB3  SER  14           HB1      SER  14  -1.886  -0.795  -1.850
   85    HG   SER  14           HG       SER  14  -2.143  -2.875   0.027
   86    H    TRP  15           HN       TRP  15  -1.996  -3.549  -3.689
   87    HA   TRP  15           HA       TRP  15  -3.178  -6.168  -3.035
   88    HB2  TRP  15           HB2      TRP  15  -3.900  -5.699  -5.227
   89    HB3  TRP  15           HB1      TRP  15  -2.363  -4.972  -5.675
   90    HD1  TRP  15           HD1      TRP  15  -0.808  -6.460  -7.059
   91    HE1  TRP  15           HE1      TRP  15  -0.655  -8.972  -7.591
   92    HE3  TRP  15           HE3      TRP  15  -4.499  -8.180  -3.966
   93    HZ2  TRP  15           HZ2      TRP  15  -1.929 -11.361  -6.804
   94    HZ3  TRP  15           HZ3      TRP  15  -4.972 -10.591  -3.919
   95    HH2  TRP  15           HH2      TRP  15  -3.711 -12.149  -5.311
   96    H    SER  16           HN       SER  16  -1.737  -8.023  -3.324
   97    HA   SER  16           HA       SER  16   1.097  -7.381  -3.239
   98    HB2  SER  16           HB2      SER  16   0.243  -9.481  -1.347
   99    HB3  SER  16           HB1      SER  16   1.479  -8.238  -1.167
  100    HG   SER  16           HG       SER  16  -1.327  -7.867  -0.952
  101    H    ALA  17           HN       ALA  17   2.313  -8.716  -4.424
  102    HA   ALA  17           HA       ALA  17   1.004 -11.034  -5.630
  103    HB1  ALA  17           HB1      ALA  17   2.294 -10.713  -7.453
  104    HB2  ALA  17           HB2      ALA  17   3.719 -10.289  -6.505
  105    HB3  ALA  17           HB3      ALA  17   2.457  -9.089  -6.787
  106    H    ASP  18           HN       ASP  18   3.409 -10.240  -3.298
  107    HA   ASP  18           HA       ASP  18   5.143 -12.380  -3.371
  108    HB2  ASP  18           HB2      ASP  18   4.288 -10.429  -1.390
  109    HB3  ASP  18           HB1      ASP  18   4.687 -11.976  -0.650
  110    H    LEU  19           HN       LEU  19   1.840 -12.264  -2.228
  111    HA   LEU  19           HA       LEU  19   1.780 -15.167  -2.140
  112    HB2  LEU  19           HB2      LEU  19   0.488 -14.987   0.082
  113    HB3  LEU  19           HB1      LEU  19   2.240 -14.920   0.115
  114    HG   LEU  19           HG       LEU  19   1.476 -12.255  -0.113
  115   HD11  LEU  19          HD11      LEU  19  -0.384 -11.823   1.066
  116   HD12  LEU  19          HD12      LEU  19  -0.085 -13.126   2.216
  117   HD13  LEU  19          HD13      LEU  19  -0.814 -13.481   0.650
  118   HD21  LEU  19          HD21      LEU  19   1.973 -12.470   2.509
  119   HD22  LEU  19          HD22      LEU  19   3.235 -12.548   1.280
  120   HD23  LEU  19          HD23      LEU  19   2.584 -14.034   1.971
  121    H    ASP  20           HN       ASP  20   0.610 -12.842  -3.674
  122    HA   ASP  20           HA       ASP  20  -1.395 -12.113  -4.508
  123    HB2  ASP  20           HB2      ASP  20  -1.955 -15.070  -4.200
  124    HB3  ASP  20           HB1      ASP  20  -2.886 -13.965  -5.208
  125    H    LYS  21           HN       LYS  21  -1.941 -10.861  -2.629
  126    HA   LYS  21           HA       LYS  21  -4.537 -11.409  -1.666
  127    HB2  LYS  21           HB2      LYS  21  -2.265 -12.271  -0.004
  128    HB3  LYS  21           HB1      LYS  21  -3.451 -11.282   0.838
  129    HG2  LYS  21           HG2      LYS  21  -5.143 -12.954  -0.298
  130    HG3  LYS  21           HG1      LYS  21  -3.722 -14.001  -0.322
  131    HD2  LYS  21           HD2      LYS  21  -3.464 -13.785   2.066
  132    HD3  LYS  21           HD1      LYS  21  -4.774 -12.604   2.137
  133    HE2  LYS  21           HE2      LYS  21  -6.003 -14.416   2.685
  134    HE3  LYS  21           HE1      LYS  21  -6.053 -14.639   0.936
  135    HZ1  LYS  21           HZ1      LYS  21  -5.315 -16.677   1.505
  136    HZ2  LYS  21           HZ2      LYS  21  -4.625 -16.162   2.961
  137    HZ3  LYS  21           HZ3      LYS  21  -3.805 -15.913   1.503
  138    H    CYS  22           HN       CYS  22  -5.481  -9.509  -1.296
  139    HA   CYS  22           HA       CYS  22  -4.148  -7.074  -1.575
  140    HB2  CYS  22           HB2      CYS  22  -6.797  -7.561  -0.198
  141    HB3  CYS  22           HB1      CYS  22  -6.232  -6.028  -0.851
  142    H    MET  23           HN       MET  23  -4.198  -5.282   0.099
  143    HA   MET  23           HA       MET  23  -4.034  -6.019   2.850
  144    HB2  MET  23           HB2      MET  23  -1.673  -6.261   1.296
  145    HB3  MET  23           HB1      MET  23  -1.471  -4.857   2.334
  146    HG2  MET  23           HG2      MET  23  -1.375  -6.089   4.215
  147    HG3  MET  23           HG1      MET  23  -2.545  -7.271   3.633
  148    HE1  MET  23           HE1      MET  23   0.451  -7.120   5.127
  149    HE2  MET  23           HE2      MET  23   1.387  -8.486   4.518
  150    HE3  MET  23           HE3      MET  23  -0.223  -8.749   5.191
  151    H    ASP  24           HN       ASP  24  -4.656  -4.329   4.019
  152    HA   ASP  24           HA       ASP  24  -5.298  -1.857   2.874
  153    HB2  ASP  24           HB2      ASP  24  -6.047  -3.034   5.132
  154    HB3  ASP  24           HB1      ASP  24  -4.773  -2.022   5.807
  155    H    CYS  25           HN       CYS  25  -4.386   0.212   3.132
  156    HA   CYS  25           HA       CYS  25  -1.640   0.402   2.747
  157    HB2  CYS  25           HB2      CYS  25  -3.818   2.160   2.726
  158    HB3  CYS  25           HB1      CYS  25  -2.705   2.832   3.912
  159    H    ALA  26           HN       ALA  26  -3.491   0.353   5.693
  160    HA   ALA  26           HA       ALA  26  -1.243   1.224   7.314
  161    HB1  ALA  26           HB1      ALA  26  -4.024   0.345   8.074
  162    HB2  ALA  26           HB2      ALA  26  -3.430   2.002   7.957
  163    HB3  ALA  26           HB3      ALA  26  -2.804   0.926   9.208
  164    H    SER  27           HN       SER  27  -2.011  -1.618   5.854
  165    HA   SER  27           HA       SER  27  -1.697  -3.519   7.905
  166    HB2  SER  27           HB2      SER  27  -2.459  -3.758   5.384
  167    HB3  SER  27           HB1      SER  27  -0.752  -4.123   5.137
  168    HG   SER  27           HG       SER  27  -1.076  -5.683   6.928
  169    H    CYS  28           HN       CYS  28   0.555  -1.423   6.443
  170    HA   CYS  28           HA       CYS  28   2.853  -3.085   6.926
  171    HB2  CYS  28           HB2      CYS  28   2.342  -0.453   5.668
  172    HB3  CYS  28           HB1      CYS  28   3.929  -0.672   6.399
  173    H    ARG  29           HN       ARG  29   1.665  -2.985   9.274
  174    HA   ARG  29           HA       ARG  29   2.835  -0.812  10.842
  175    HB2  ARG  29           HB2      ARG  29   0.391  -2.005  11.004
  176    HB3  ARG  29           HB1      ARG  29   1.281  -2.898  12.230
  177    HG2  ARG  29           HG2      ARG  29   1.967  -0.633  13.158
  178    HG3  ARG  29           HG1      ARG  29   0.723   0.046  12.106
  179    HD2  ARG  29           HD2      ARG  29  -0.382  -0.256  14.132
  180    HD3  ARG  29           HD1      ARG  29  -0.844  -1.676  13.195
  181    HE   ARG  29           HE       ARG  29   1.470  -2.150  14.796
  182   HH11  ARG  29          HH11      ARG  29  -2.013  -1.967  14.891
  183   HH12  ARG  29          HH12      ARG  29  -2.157  -3.025  16.253
  184   HH21  ARG  29          HH21      ARG  29   1.283  -3.542  16.590
  185   HH22  ARG  29          HH22      ARG  29  -0.285  -3.920  17.219
  186    H    ALA  30           HN       ALA  30   4.671  -2.608   9.740
  187    HA   ALA  30           HA       ALA  30   6.128  -3.366  12.049
  188    HB1  ALA  30           HB1      ALA  30   5.037  -5.320  12.388
  189    HB2  ALA  30           HB2      ALA  30   6.146  -5.883  11.137
  190    HB3  ALA  30           HB3      ALA  30   4.493  -5.435  10.714
  191    H    ARG  31           HN       ARG  31   5.663  -4.051   8.592
  192    HA   ARG  31           HA       ARG  31   8.508  -3.458   8.179
  193    HB2  ARG  31           HB2      ARG  31   7.130  -5.990   7.659
  194    HB3  ARG  31           HB1      ARG  31   7.997  -5.369   6.260
  195    HG2  ARG  31           HG2      ARG  31   9.612  -6.648   7.257
  196    HG3  ARG  31           HG1      ARG  31   9.950  -5.068   7.966
  197    HD2  ARG  31           HD2      ARG  31   8.436  -5.775   9.880
  198    HD3  ARG  31           HD1      ARG  31   8.519  -7.402   9.208
  199    HE   ARG  31           HE       ARG  31  10.614  -7.601  10.087
  200   HH11  ARG  31          HH11      ARG  31   9.816  -4.209   9.904
  201   HH12  ARG  31          HH12      ARG  31  11.245  -3.699  10.738
  202   HH21  ARG  31          HH21      ARG  31  12.493  -6.933  11.186
  203   HH22  ARG  31          HH22      ARG  31  12.765  -5.246  11.466
  204    HA   PRO  32           HA       PRO  32   5.989  -1.039   5.205
  205    HB2  PRO  32           HB2      PRO  32   7.426   1.228   5.361
  206    HB3  PRO  32           HB1      PRO  32   6.220   0.802   6.582
  207    HG2  PRO  32           HG2      PRO  32   9.198   0.502   6.674
  208    HG3  PRO  32           HG1      PRO  32   8.092   1.073   7.936
  209    HD2  PRO  32           HD2      PRO  32   9.094  -1.470   7.839
  210    HD3  PRO  32           HD1      PRO  32   7.536  -1.057   8.580
  211    H    HIS  33           HN       HIS  33   7.446  -2.943   4.106
  212    HA   HIS  33           HA       HIS  33   8.639  -1.676   1.845
  213    HB2  HIS  33           HB2      HIS  33  10.365  -2.541   4.019
  214    HB3  HIS  33           HB1      HIS  33  10.758  -3.364   2.513
  215    HD1  HIS  33           HD1      HIS  33  11.720  -0.510   4.318
  216    HD2  HIS  33           HD2      HIS  33  10.883  -1.216   0.310
  217    HE1  HIS  33           HE1      HIS  33  12.833   1.362   3.060
  218    HE2  HIS  33           HE2      HIS  33  12.259   0.949   0.641
  219    H    SER  34           HN       SER  34   6.551  -3.143   1.606
  220    HA   SER  34           HA       SER  34   7.474  -5.758   0.704
  221    HB2  SER  34           HB2      SER  34   5.515  -5.228   2.655
  222    HB3  SER  34           HB1      SER  34   4.635  -5.741   1.215
  223    HG   SER  34           HG       SER  34   5.169  -7.669   1.851
  224    H    ASP  35           HN       ASP  35   5.096  -6.497  -0.575
  225    HA   ASP  35           HA       ASP  35   5.381  -5.078  -3.030
  226    HB2  ASP  35           HB2      ASP  35   4.738  -7.614  -2.508
  227    HB3  ASP  35           HB1      ASP  35   3.109  -6.956  -2.628
  228    H    PHE  36           HN       PHE  36   2.644  -5.570  -0.804
  229    HA   PHE  36           HA       PHE  36   0.898  -3.795  -2.119
  230    HB2  PHE  36           HB2      PHE  36  -0.452  -3.892  -0.078
  231    HB3  PHE  36           HB1      PHE  36   0.110  -5.496  -0.535
  232    HD1  PHE  36           HD1      PHE  36   1.922  -6.581   0.744
  233    HD2  PHE  36           HD2      PHE  36   0.192  -2.891   1.972
  234    HE1  PHE  36           HE1      PHE  36   2.864  -6.893   2.995
  235    HE2  PHE  36           HE2      PHE  36   1.132  -3.196   4.225
  236    HZ   PHE  36           HZ       PHE  36   2.470  -5.198   4.739
  237    H    CYS  37           HN       CYS  37   3.468  -3.284   0.154
  238    HA   CYS  37           HA       CYS  37   2.650  -0.627   0.888
  239    HB2  CYS  37           HB2      CYS  37   4.502  -2.508   1.856
  240    HB3  CYS  37           HB1      CYS  37   5.463  -1.135   1.319
  241    H    LEU  38           HN       LEU  38   4.705  -2.092  -1.528
  242    HA   LEU  38           HA       LEU  38   6.179   0.162  -2.306
  243    HB2  LEU  38           HB2      LEU  38   6.622  -2.195  -2.997
  244    HB3  LEU  38           HB1      LEU  38   5.242  -2.097  -4.073
  245    HG   LEU  38           HG       LEU  38   7.357  -0.035  -4.390
  246   HD11  LEU  38          HD11      LEU  38   8.972  -1.368  -5.225
  247   HD12  LEU  38          HD12      LEU  38   7.825  -2.551  -5.853
  248   HD13  LEU  38          HD13      LEU  38   8.249  -2.557  -4.141
  249   HD21  LEU  38          HD21      LEU  38   5.084  -0.573  -5.717
  250   HD22  LEU  38          HD22      LEU  38   6.216  -1.556  -6.647
  251   HD23  LEU  38          HD23      LEU  38   6.494   0.177  -6.467
  252    H    GLY  39           HN       GLY  39   2.919  -0.857  -3.051
  253    HA2  GLY  39           HA2      GLY  39   2.637   1.313  -5.007
  254    HA3  GLY  39           HA1      GLY  39   1.493   0.003  -4.751
  255    H    CYS  40           HN       CYS  40   1.606   0.354  -1.815
  256    HA   CYS  40           HA       CYS  40  -0.275   2.588  -1.674
  257    HB2  CYS  40           HB2      CYS  40  -0.465   0.061  -0.693
  258    HB3  CYS  40           HB1      CYS  40   0.151   0.912   0.719
  259    H    ALA  41           HN       ALA  41   2.748   2.800  -1.691
  260    HA   ALA  41           HA       ALA  41   3.503   3.661   0.918
  261    HB1  ALA  41           HB1      ALA  41   5.500   4.617  -0.355
  262    HB2  ALA  41           HB2      ALA  41   4.793   3.862  -1.783
  263    HB3  ALA  41           HB3      ALA  41   5.266   2.870  -0.403
  264    H    ALA  42           HN       ALA  42   2.286   5.228  -1.977
  265    HA   ALA  42           HA       ALA  42   2.654   7.880  -0.838
  266    HB1  ALA  42           HB1      ALA  42   3.053   8.092  -3.063
  267    HB2  ALA  42           HB2      ALA  42   1.315   8.393  -3.083
  268    HB3  ALA  42           HB3      ALA  42   1.937   6.797  -3.500
  269    H    ALA  43           HN       ALA  43   1.201   7.290   1.000
  270    HA   ALA  43           HA       ALA  43  -1.299   8.530   0.720
  271    HB1  ALA  43           HB1      ALA  43  -2.521   6.233   1.386
  272    HB2  ALA  43           HB2      ALA  43  -1.268   5.607   0.314
  273    HB3  ALA  43           HB3      ALA  43  -2.402   6.826  -0.270
  274    HA   PRO  44           HA       PRO  44   0.461   7.808   5.022
  275    HB2  PRO  44           HB2      PRO  44   0.593  10.730   5.147
  276    HB3  PRO  44           HB1      PRO  44   1.863   9.542   5.442
  277    HG2  PRO  44           HG2      PRO  44   1.868  11.149   3.274
  278    HG3  PRO  44           HG1      PRO  44   2.519   9.500   3.236
  279    HD2  PRO  44           HD2      PRO  44  -0.126  10.517   2.261
  280    HD3  PRO  44           HD1      PRO  44   0.983   9.354   1.502
  281    HA   PRO  45           HA       PRO  45  -3.870   8.661   6.130
  282    HB2  PRO  45           HB2      PRO  45  -3.171   7.050   8.495
  283    HB3  PRO  45           HB1      PRO  45  -4.443   6.793   7.298
  284    HG2  PRO  45           HG2      PRO  45  -2.265   5.226   7.399
  285    HG3  PRO  45           HG1      PRO  45  -3.045   5.646   5.862
  286    HD2  PRO  45           HD2      PRO  45  -0.568   6.783   7.105
  287    HD3  PRO  45           HD1      PRO  45  -0.888   6.369   5.408
  288    H    ALA  46           HN       ALA  46  -4.761   9.058   8.567
  289    HA   ALA  46           HA       ALA  46  -2.979  10.546  10.250
  290    HB1  ALA  46           HB1      ALA  46  -3.598  12.071   8.254
  291    HB2  ALA  46           HB2      ALA  46  -3.703  12.720   9.890
  292    HB3  ALA  46           HB3      ALA  46  -5.165  12.203   9.051
  293    HA   PRO  47           HA       PRO  47  -6.803   8.507  12.133
  294    HB2  PRO  47           HB2      PRO  47  -4.685   7.934  14.144
  295    HB3  PRO  47           HB1      PRO  47  -5.964   6.883  13.525
  296    HG2  PRO  47           HG2      PRO  47  -3.443   6.563  12.732
  297    HG3  PRO  47           HG1      PRO  47  -4.788   6.368  11.593
  298    HD2  PRO  47           HD2      PRO  47  -2.878   8.645  11.903
  299    HD3  PRO  47           HD1      PRO  47  -3.592   7.962  10.427
  300    H    PHE  48           HN       PHE  48  -8.077   9.516  13.583
  301    HA   PHE  48           HA       PHE  48  -8.835  11.088  15.040
  302    HB2  PHE  48           HB2      PHE  48  -6.042  10.788  16.161
  303    HB3  PHE  48           HB1      PHE  48  -7.355  11.640  16.966
  304    HD1  PHE  48           HD1      PHE  48  -9.633   9.882  16.502
  305    HD2  PHE  48           HD2      PHE  48  -5.597   8.929  17.452
  306    HE1  PHE  48           HE1      PHE  48 -10.376   7.770  17.522
  307    HE2  PHE  48           HE2      PHE  48  -6.332   6.815  18.474
  308    HZ   PHE  48           HZ       PHE  48  -8.725   6.233  18.510
  309    H    ARG  49           HN       ARG  49  -8.257  13.353  16.013
  310    HA   ARG  49           HA       ARG  49  -6.529  14.895  14.240
  311    HB2  ARG  49           HB2      ARG  49  -8.864  14.825  13.262
  312    HB3  ARG  49           HB1      ARG  49  -9.402  15.708  14.684
  313    HG2  ARG  49           HG2      ARG  49  -7.399  17.306  13.918
  314    HG3  ARG  49           HG1      ARG  49  -7.846  16.628  12.352
  315    HD2  ARG  49           HD2      ARG  49  -9.692  17.871  12.255
  316    HD3  ARG  49           HD1      ARG  49 -10.182  17.382  13.876
  317    HE   ARG  49           HE       ARG  49  -8.203  19.214  14.288
  318   HH11  ARG  49          HH11      ARG  49 -11.231  19.221  12.551
  319   HH12  ARG  49          HH12      ARG  49 -11.507  20.914  12.789
  320   HH21  ARG  49          HH21      ARG  49  -8.566  21.441  14.601
  321   HH22  ARG  49          HH22      ARG  49  -9.995  22.174  13.953
  322    H    LEU  50           HN       LEU  50  -6.418  14.147  17.038
  323    HA   LEU  50           HA       LEU  50  -6.561  16.830  18.249
  324    HB2  LEU  50           HB2      LEU  50  -7.852  14.474  19.086
  325    HB3  LEU  50           HB1      LEU  50  -6.543  14.730  20.222
  326    HG   LEU  50           HG       LEU  50  -8.262  17.069  19.590
  327   HD11  LEU  50          HD11      LEU  50  -9.708  16.145  21.585
  328   HD12  LEU  50          HD12      LEU  50  -9.205  14.588  20.929
  329   HD13  LEU  50          HD13      LEU  50 -10.085  15.729  19.914
  330   HD21  LEU  50          HD21      LEU  50  -7.970  17.158  22.190
  331   HD22  LEU  50          HD22      LEU  50  -6.642  17.617  21.124
  332   HD23  LEU  50          HD23      LEU  50  -6.659  16.022  21.875
  333    H    LEU  51           HN       LEU  51  -5.011  17.114  20.085
  334    HA   LEU  51           HA       LEU  51  -2.447  15.853  19.394
  335    HB2  LEU  51           HB2      LEU  51  -3.222  18.557  20.355
  336    HB3  LEU  51           HB1      LEU  51  -1.676  17.924  20.887
  337    HG   LEU  51           HG       LEU  51  -1.530  19.367  18.869
  338   HD11  LEU  51          HD11      LEU  51  -0.666  16.497  18.759
  339   HD12  LEU  51          HD12      LEU  51   0.286  17.927  19.156
  340   HD13  LEU  51          HD13      LEU  51  -0.230  17.647  17.493
  341   HD21  LEU  51          HD21      LEU  51  -2.643  18.965  16.947
  342   HD22  LEU  51          HD22      LEU  51  -3.775  18.151  18.028
  343   HD23  LEU  51          HD23      LEU  51  -2.570  17.214  17.143
  344    H    TRP  52           HN       TRP  52  -0.878  15.979  21.399
  345    HA   TRP  52           HA       TRP  52  -0.304  15.084  23.408
  346    HB2  TRP  52           HB2      TRP  52  -3.036  16.165  24.087
  347    HB3  TRP  52           HB1      TRP  52  -1.998  15.402  25.286
  348    HD1  TRP  52           HD1      TRP  52  -2.586  18.660  23.528
  349    HE1  TRP  52           HE1      TRP  52  -0.866  20.402  24.326
  350    HE3  TRP  52           HE3      TRP  52   0.584  15.563  26.078
  351    HZ2  TRP  52           HZ2      TRP  52   1.519  20.455  25.836
  352    HZ3  TRP  52           HZ3      TRP  52   2.561  16.539  27.170
  353    HH2  TRP  52           HH2      TRP  52   3.018  18.933  27.051
  354    HA   PRO  53           HA       PRO  53  -1.879  10.932  22.442
  355    HB2  PRO  53           HB2      PRO  53   0.108  10.364  24.594
  356    HB3  PRO  53           HB1      PRO  53  -0.118   9.567  23.033
  357    HG2  PRO  53           HG2      PRO  53   1.895  11.265  23.405
  358    HG3  PRO  53           HG1      PRO  53   1.006  11.233  21.871
  359    HD2  PRO  53           HD2      PRO  53   0.868  13.206  24.102
  360    HD3  PRO  53           HD1      PRO  53   0.707  13.464  22.354
  Start of MODEL   18
    1    H1   GLU   1           HT1      GLU   1   0.751   4.704  20.781
    2    H2   GLU   1           HT2      GLU   1   0.383   3.511  19.602
    3    H3   GLU   1           HT3      GLU   1   1.956   4.194  19.673
    4    HA   GLU   1           HA       GLU   1   2.446   3.157  21.661
    5    HB2  GLU   1           HB2      GLU   1  -0.523   2.677  21.715
    6    HB3  GLU   1           HB1      GLU   1   0.566   1.700  22.692
    7    HG2  GLU   1           HG2      GLU   1   0.570   4.696  22.820
    8    HG3  GLU   1           HG1      GLU   1  -0.520   3.713  23.797
    9    H    GLN   2           HN       GLN   2  -0.049   1.559  19.668
   10    HA   GLN   2           HA       GLN   2   1.959  -0.424  18.872
   11    HB2  GLN   2           HB2      GLN   2   0.243  -2.218  19.103
   12    HB3  GLN   2           HB1      GLN   2   0.738  -1.511  20.635
   13    HG2  GLN   2           HG2      GLN   2  -1.454   0.000  19.796
   14    HG3  GLN   2           HG1      GLN   2  -1.874  -1.677  19.452
   15   HE21  GLN   2          HE21      GLN   2  -1.046   0.624  21.930
   16   HE22  GLN   2          HE22      GLN   2  -1.577  -0.326  23.271
   17    H    ALA   3           HN       ALA   3   1.449  -1.554  16.898
   18    HA   ALA   3           HA       ALA   3  -0.792  -0.824  15.299
   19    HB1  ALA   3           HB1      ALA   3   1.675   0.147  13.993
   20    HB2  ALA   3           HB2      ALA   3   1.025   1.145  15.294
   21    HB3  ALA   3           HB3      ALA   3   0.022   0.755  13.896
   22    HA   PRO   4           HA       PRO   4   1.677  -4.686  14.212
   23    HB2  PRO   4           HB2      PRO   4  -0.282  -6.479  14.770
   24    HB3  PRO   4           HB1      PRO   4   0.881  -5.922  15.979
   25    HG2  PRO   4           HG2      PRO   4  -1.936  -5.024  15.504
   26    HG3  PRO   4           HG1      PRO   4  -1.111  -5.356  17.039
   27    HD2  PRO   4           HD2      PRO   4  -1.468  -2.845  16.089
   28    HD3  PRO   4           HD1      PRO   4  -0.055  -3.307  17.060
   29    H    GLY   5           HN       GLY   5  -1.815  -4.128  13.729
   30    HA2  GLY   5           HA2      GLY   5  -1.440  -4.322  10.852
   31    HA3  GLY   5           HA1      GLY   5  -2.442  -5.575  11.570
   32    H    THR   6           HN       THR   6  -3.853  -4.388   9.857
   33    HA   THR   6           HA       THR   6  -5.341  -2.263  11.243
   34    HB   THR   6           HB       THR   6  -4.967  -2.656   8.273
   35    HG1  THR   6           HG1      THR   6  -3.851  -0.708   8.418
   36   HG21  THR   6          HG21      THR   6  -6.080  -0.119   9.056
   37   HG22  THR   6          HG22      THR   6  -7.138  -1.456   9.510
   38   HG23  THR   6          HG23      THR   6  -6.629  -1.266   7.832
   39    H    ALA   7           HN       ALA   7  -6.090  -4.198   8.407
   40    HA   ALA   7           HA       ALA   7  -8.079  -5.755   9.791
   41    HB1  ALA   7           HB1      ALA   7  -9.751  -4.802   7.889
   42    HB2  ALA   7           HB2      ALA   7  -8.818  -3.353   8.265
   43    HB3  ALA   7           HB3      ALA   7  -9.687  -4.200   9.545
   44    HA   PRO   8           HA       PRO   8  -7.376  -8.526   6.435
   45    HB2  PRO   8           HB2      PRO   8  -9.743  -9.776   6.118
   46    HB3  PRO   8           HB1      PRO   8  -8.745 -10.004   7.560
   47    HG2  PRO   8           HG2      PRO   8 -11.147  -8.261   7.174
   48    HG3  PRO   8           HG1      PRO   8 -10.729  -9.300   8.547
   49    HD2  PRO   8           HD2      PRO   8 -10.322  -6.602   8.529
   50    HD3  PRO   8           HD1      PRO   8  -9.326  -7.732   9.465
   51    H    CYS   9           HN       CYS   9  -7.299  -6.340   5.142
   52    HA   CYS   9           HA       CYS   9  -7.579  -5.402   3.085
   53    HB2  CYS   9           HB2      CYS   9  -8.008  -7.952   2.525
   54    HB3  CYS   9           HB1      CYS   9  -9.660  -7.395   2.291
   55    H    SER  10           HN       SER  10  -8.596  -3.525   3.016
   56    HA   SER  10           HA       SER  10 -11.448  -3.429   3.740
   57    HB2  SER  10           HB2      SER  10  -9.501  -2.074   4.971
   58    HB3  SER  10           HB1      SER  10  -9.811  -0.940   3.656
   59    HG   SER  10           HG       SER  10 -11.092  -0.634   5.612
   60    H    ARG  11           HN       ARG  11 -11.968  -0.850   2.734
   61    HA   ARG  11           HA       ARG  11 -12.128  -1.467  -0.115
   62    HB2  ARG  11           HB2      ARG  11 -14.150  -0.796   1.267
   63    HB3  ARG  11           HB1      ARG  11 -13.458   0.820   1.334
   64    HG2  ARG  11           HG2      ARG  11 -13.408   0.165  -1.361
   65    HG3  ARG  11           HG1      ARG  11 -14.948  -0.470  -0.780
   66    HD2  ARG  11           HD2      ARG  11 -15.660   1.633  -1.166
   67    HD3  ARG  11           HD1      ARG  11 -14.945   1.945   0.416
   68    HE   ARG  11           HE       ARG  11 -13.105   2.260  -1.772
   69   HH11  ARG  11          HH11      ARG  11 -15.539   3.835   0.172
   70   HH12  ARG  11          HH12      ARG  11 -14.939   5.429  -0.145
   71   HH21  ARG  11          HH21      ARG  11 -12.315   4.354  -2.189
   72   HH22  ARG  11          HH22      ARG  11 -13.110   5.724  -1.488
   73    H    GLY  12           HN       GLY  12  -9.644  -0.484   1.199
   74    HA2  GLY  12           HA2      GLY  12  -9.005   1.530  -0.772
   75    HA3  GLY  12           HA1      GLY  12  -8.968   2.113   0.886
   76    H    SER  13           HN       SER  13  -8.125  -1.170   0.097
   77    HA   SER  13           HA       SER  13  -5.411  -0.674   1.049
   78    HB2  SER  13           HB2      SER  13  -6.706  -3.333   0.415
   79    HB3  SER  13           HB1      SER  13  -5.253  -3.052   1.370
   80    HG   SER  13           HG       SER  13  -6.668  -1.843   2.825
   81    H    SER  14           HN       SER  14  -4.070  -2.777  -0.173
   82    HA   SER  14           HA       SER  14  -4.268  -2.287  -3.028
   83    HB2  SER  14           HB2      SER  14  -2.279  -1.115  -1.388
   84    HB3  SER  14           HB1      SER  14  -1.486  -2.374  -2.334
   85    HG   SER  14           HG       SER  14  -1.654  -1.140  -4.014
   86    H    TRP  15           HN       TRP  15  -3.421  -3.924  -4.343
   87    HA   TRP  15           HA       TRP  15  -3.448  -6.530  -3.143
   88    HB2  TRP  15           HB2      TRP  15  -4.453  -6.564  -5.229
   89    HB3  TRP  15           HB1      TRP  15  -3.294  -5.439  -5.924
   90    HD1  TRP  15           HD1      TRP  15  -1.166  -6.444  -7.093
   91    HE1  TRP  15           HE1      TRP  15  -0.462  -8.836  -7.726
   92    HE3  TRP  15           HE3      TRP  15  -4.613  -9.058  -4.366
   93    HZ2  TRP  15           HZ2      TRP  15  -1.263 -11.475  -7.143
   94    HZ3  TRP  15           HZ3      TRP  15  -4.578 -11.513  -4.464
   95    HH2  TRP  15           HH2      TRP  15  -2.936 -12.697  -5.825
   96    H    SER  16           HN       SER  16  -1.716  -8.151  -3.660
   97    HA   SER  16           HA       SER  16   0.942  -7.018  -3.903
   98    HB2  SER  16           HB2      SER  16   1.383  -8.833  -1.905
   99    HB3  SER  16           HB1      SER  16   1.209  -7.096  -1.659
  100    HG   SER  16           HG       SER  16  -1.020  -7.458  -1.284
  101    H    ALA  17           HN       ALA  17   2.434  -8.370  -4.826
  102    HA   ALA  17           HA       ALA  17   1.358 -10.861  -5.923
  103    HB1  ALA  17           HB1      ALA  17   2.227  -9.385  -7.582
  104    HB2  ALA  17           HB2      ALA  17   3.346 -10.740  -7.437
  105    HB3  ALA  17           HB3      ALA  17   3.740  -9.188  -6.697
  106    H    ASP  18           HN       ASP  18   3.624  -9.710  -3.603
  107    HA   ASP  18           HA       ASP  18   5.529 -11.718  -3.536
  108    HB2  ASP  18           HB2      ASP  18   5.655 -11.179  -1.049
  109    HB3  ASP  18           HB1      ASP  18   5.876  -9.827  -2.153
  110    H    LEU  19           HN       LEU  19   2.253 -11.699  -2.269
  111    HA   LEU  19           HA       LEU  19   2.480 -14.583  -1.822
  112    HB2  LEU  19           HB2      LEU  19   2.742 -13.326   0.341
  113    HB3  LEU  19           HB1      LEU  19   1.113 -12.722   0.121
  114    HG   LEU  19           HG       LEU  19   1.698 -14.864   1.619
  115   HD11  LEU  19          HD11      LEU  19  -0.784 -15.547   0.603
  116   HD12  LEU  19          HD12      LEU  19  -0.658 -13.812   0.311
  117   HD13  LEU  19          HD13      LEU  19  -0.456 -14.449   1.943
  118   HD21  LEU  19          HD21      LEU  19   1.114 -15.986  -1.120
  119   HD22  LEU  19          HD22      LEU  19   1.051 -16.906   0.385
  120   HD23  LEU  19          HD23      LEU  19   2.580 -16.221  -0.167
  121    H    ASP  20           HN       ASP  20   1.190 -12.605  -3.761
  122    HA   ASP  20           HA       ASP  20  -0.783 -12.301  -4.877
  123    HB2  ASP  20           HB2      ASP  20  -0.837 -15.249  -4.233
  124    HB3  ASP  20           HB1      ASP  20  -1.992 -14.485  -5.320
  125    H    LYS  21           HN       LYS  21  -1.490 -10.976  -2.976
  126    HA   LYS  21           HA       LYS  21  -4.161 -11.668  -2.308
  127    HB2  LYS  21           HB2      LYS  21  -3.999 -11.868   0.060
  128    HB3  LYS  21           HB1      LYS  21  -2.836 -12.992  -0.625
  129    HG2  LYS  21           HG2      LYS  21  -1.414 -12.100   0.847
  130    HG3  LYS  21           HG1      LYS  21  -1.306 -10.765  -0.300
  131    HD2  LYS  21           HD2      LYS  21  -2.386  -9.356   1.071
  132    HD3  LYS  21           HD1      LYS  21  -3.589 -10.568   1.515
  133    HE2  LYS  21           HE2      LYS  21  -0.779 -10.591   2.589
  134    HE3  LYS  21           HE1      LYS  21  -2.090  -9.717   3.378
  135    HZ1  LYS  21           HZ1      LYS  21  -3.275 -11.746   3.700
  136    HZ2  LYS  21           HZ2      LYS  21  -1.700 -11.978   4.270
  137    HZ3  LYS  21           HZ3      LYS  21  -2.161 -12.623   2.776
  138    H    CYS  22           HN       CYS  22  -4.997  -9.967  -0.591
  139    HA   CYS  22           HA       CYS  22  -3.848  -7.371  -1.381
  140    HB2  CYS  22           HB2      CYS  22  -6.064  -6.415  -1.199
  141    HB3  CYS  22           HB1      CYS  22  -6.133  -7.820  -2.258
  142    H    MET  23           HN       MET  23  -3.650  -5.747   0.176
  143    HA   MET  23           HA       MET  23  -4.505  -6.103   2.865
  144    HB2  MET  23           HB2      MET  23  -2.617  -7.670   2.862
  145    HB3  MET  23           HB1      MET  23  -1.552  -6.392   2.294
  146    HG2  MET  23           HG2      MET  23  -1.065  -6.162   4.463
  147    HG3  MET  23           HG1      MET  23  -2.566  -5.239   4.514
  148    HE1  MET  23           HE1      MET  23  -2.726  -6.774   7.819
  149    HE2  MET  23           HE2      MET  23  -1.550  -5.875   6.861
  150    HE3  MET  23           HE3      MET  23  -1.235  -7.555   7.294
  151    H    ASP  24           HN       ASP  24  -4.606  -4.190   3.899
  152    HA   ASP  24           HA       ASP  24  -4.264  -1.795   2.517
  153    HB2  ASP  24           HB2      ASP  24  -5.579  -2.403   4.733
  154    HB3  ASP  24           HB1      ASP  24  -4.116  -1.791   5.500
  155    H    CYS  25           HN       CYS  25  -2.784  -0.072   2.788
  156    HA   CYS  25           HA       CYS  25  -0.064  -0.988   3.201
  157    HB2  CYS  25           HB2      CYS  25   0.509   1.353   2.418
  158    HB3  CYS  25           HB1      CYS  25  -0.350   0.342   1.263
  159    H    ALA  26           HN       ALA  26  -2.370   1.186   4.705
  160    HA   ALA  26           HA       ALA  26  -0.804   2.665   6.396
  161    HB1  ALA  26           HB1      ALA  26  -3.567   1.627   6.523
  162    HB2  ALA  26           HB2      ALA  26  -2.966   3.281   6.642
  163    HB3  ALA  26           HB3      ALA  26  -2.871   2.205   8.036
  164    H    SER  27           HN       SER  27  -1.490  -0.740   6.567
  165    HA   SER  27           HA       SER  27  -0.878  -1.239   9.249
  166    HB2  SER  27           HB2      SER  27  -0.865  -2.875   6.749
  167    HB3  SER  27           HB1      SER  27  -0.100  -3.542   8.191
  168    HG   SER  27           HG       SER  27  -2.468  -3.918   7.803
  169    H    CYS  28           HN       CYS  28   1.225  -0.994   6.414
  170    HA   CYS  28           HA       CYS  28   3.567  -1.592   7.983
  171    HB2  CYS  28           HB2      CYS  28   4.803  -1.450   5.916
  172    HB3  CYS  28           HB1      CYS  28   3.343  -2.392   5.640
  173    H    ARG  29           HN       ARG  29   2.516   0.504   9.185
  174    HA   ARG  29           HA       ARG  29   3.765   2.929   8.131
  175    HB2  ARG  29           HB2      ARG  29   1.388   2.947   8.946
  176    HB3  ARG  29           HB1      ARG  29   2.000   2.639  10.566
  177    HG2  ARG  29           HG2      ARG  29   2.672   4.759  10.859
  178    HG3  ARG  29           HG1      ARG  29   3.225   4.926   9.191
  179    HD2  ARG  29           HD2      ARG  29   0.893   5.163   8.459
  180    HD3  ARG  29           HD1      ARG  29   0.360   5.028  10.133
  181    HE   ARG  29           HE       ARG  29   1.506   7.335   8.855
  182   HH11  ARG  29          HH11      ARG  29   0.938   5.735  11.905
  183   HH12  ARG  29          HH12      ARG  29   1.034   7.194  12.831
  184   HH21  ARG  29          HH21      ARG  29   1.636   9.255  10.073
  185   HH22  ARG  29          HH22      ARG  29   1.432   9.193  11.792
  186    H    ALA  30           HN       ALA  30   5.460   0.853   9.100
  187    HA   ALA  30           HA       ALA  30   7.129   2.357  10.830
  188    HB1  ALA  30           HB1      ALA  30   7.075   0.979  12.809
  189    HB2  ALA  30           HB2      ALA  30   5.869  -0.081  12.080
  190    HB3  ALA  30           HB3      ALA  30   5.452   1.586  12.478
  191    H    ARG  31           HN       ARG  31   6.287  -0.864   9.636
  192    HA   ARG  31           HA       ARG  31   9.141  -1.311   9.066
  193    HB2  ARG  31           HB2      ARG  31   7.277  -2.946  10.600
  194    HB3  ARG  31           HB1      ARG  31   8.027  -3.845   9.288
  195    HG2  ARG  31           HG2      ARG  31   9.461  -4.200  11.068
  196    HG3  ARG  31           HG1      ARG  31  10.242  -2.890  10.180
  197    HD2  ARG  31           HD2      ARG  31   8.789  -1.399  11.804
  198    HD3  ARG  31           HD1      ARG  31   8.848  -2.847  12.809
  199    HE   ARG  31           HE       ARG  31  10.997  -1.023  12.270
  200   HH11  ARG  31          HH11      ARG  31  10.200  -4.305  13.151
  201   HH12  ARG  31          HH12      ARG  31  11.720  -4.598  13.927
  202   HH21  ARG  31          HH21      ARG  31  12.997  -1.407  13.290
  203   HH22  ARG  31          HH22      ARG  31  13.307  -2.953  14.007
  204    HA   PRO  32           HA       PRO  32   6.836  -1.476   5.079
  205    HB2  PRO  32           HB2      PRO  32   8.951  -0.618   3.586
  206    HB3  PRO  32           HB1      PRO  32   7.820   0.477   4.390
  207    HG2  PRO  32           HG2      PRO  32  10.538  -0.418   5.269
  208    HG3  PRO  32           HG1      PRO  32   9.817   1.201   5.332
  209    HD2  PRO  32           HD2      PRO  32   9.956  -0.395   7.502
  210    HD3  PRO  32           HD1      PRO  32   8.604   0.724   7.238
  211    H    HIS  33           HN       HIS  33   6.637  -3.578   4.569
  212    HA   HIS  33           HA       HIS  33   8.804  -4.889   3.210
  213    HB2  HIS  33           HB2      HIS  33   7.894  -5.797   5.924
  214    HB3  HIS  33           HB1      HIS  33   8.483  -6.969   4.749
  215    HD1  HIS  33           HD1      HIS  33  10.811  -5.252   3.579
  216    HD2  HIS  33           HD2      HIS  33  10.037  -5.787   7.627
  217    HE1  HIS  33           HE1      HIS  33  12.997  -4.821   4.745
  218    HE2  HIS  33           HE2      HIS  33  12.483  -5.065   7.199
  219    H    SER  34           HN       SER  34   6.702  -4.233   1.908
  220    HA   SER  34           HA       SER  34   5.459  -6.683   1.181
  221    HB2  SER  34           HB2      SER  34   3.118  -5.297   1.546
  222    HB3  SER  34           HB1      SER  34   3.721  -6.562   2.618
  223    HG   SER  34           HG       SER  34   4.090  -3.762   2.886
  224    H    ASP  35           HN       ASP  35   4.621  -6.615  -0.865
  225    HA   ASP  35           HA       ASP  35   5.405  -4.456  -2.515
  226    HB2  ASP  35           HB2      ASP  35   5.314  -6.797  -3.298
  227    HB3  ASP  35           HB1      ASP  35   3.559  -6.763  -3.159
  228    H    PHE  36           HN       PHE  36   2.305  -5.486  -1.179
  229    HA   PHE  36           HA       PHE  36   0.645  -3.789  -2.648
  230    HB2  PHE  36           HB2      PHE  36  -0.996  -4.093  -0.851
  231    HB3  PHE  36           HB1      PHE  36  -0.229  -5.617  -1.283
  232    HD1  PHE  36           HD1      PHE  36  -0.105  -2.859   1.199
  233    HD2  PHE  36           HD2      PHE  36   0.767  -6.936   0.348
  234    HE1  PHE  36           HE1      PHE  36   0.476  -3.224   3.561
  235    HE2  PHE  36           HE2      PHE  36   1.351  -7.308   2.710
  236    HZ   PHE  36           HZ       PHE  36   1.204  -5.450   4.320
  237    H    CYS  37           HN       CYS  37   2.864  -3.062  -0.117
  238    HA   CYS  37           HA       CYS  37   1.614  -0.565   0.614
  239    HB2  CYS  37           HB2      CYS  37   4.152  -1.970   1.370
  240    HB3  CYS  37           HB1      CYS  37   3.975  -0.256   1.727
  241    H    LEU  38           HN       LEU  38   4.277  -1.635  -1.425
  242    HA   LEU  38           HA       LEU  38   5.284   0.935  -2.040
  243    HB2  LEU  38           HB2      LEU  38   6.020  -1.673  -2.583
  244    HB3  LEU  38           HB1      LEU  38   5.580  -1.050  -4.162
  245    HG   LEU  38           HG       LEU  38   7.502   0.411  -2.369
  246   HD11  LEU  38          HD11      LEU  38   9.328  -0.718  -3.295
  247   HD12  LEU  38          HD12      LEU  38   8.343  -1.468  -4.551
  248   HD13  LEU  38          HD13      LEU  38   8.187  -1.997  -2.876
  249   HD21  LEU  38          HD21      LEU  38   7.729   0.489  -5.296
  250   HD22  LEU  38          HD22      LEU  38   7.836   1.790  -4.111
  251   HD23  LEU  38          HD23      LEU  38   6.259   1.206  -4.639
  252    H    GLY  39           HN       GLY  39   2.617  -0.937  -3.254
  253    HA2  GLY  39           HA2      GLY  39   2.277   0.740  -5.603
  254    HA3  GLY  39           HA1      GLY  39   1.260  -0.611  -5.127
  255    H    CYS  40           HN       CYS  40   1.025   0.513  -2.369
  256    HA   CYS  40           HA       CYS  40  -1.394   1.890  -2.703
  257    HB2  CYS  40           HB2      CYS  40  -0.406   0.626  -0.642
  258    HB3  CYS  40           HB1      CYS  40   0.264   2.198  -0.223
  259    H    ALA  41           HN       ALA  41   1.895   3.003  -2.536
  260    HA   ALA  41           HA       ALA  41   1.497   5.677  -1.834
  261    HB1  ALA  41           HB1      ALA  41   3.660   4.125  -2.474
  262    HB2  ALA  41           HB2      ALA  41   3.702   5.862  -2.166
  263    HB3  ALA  41           HB3      ALA  41   3.597   5.262  -3.821
  264    H    ALA  42           HN       ALA  42   0.317   7.177  -2.803
  265    HA   ALA  42           HA       ALA  42   0.070   7.097  -5.741
  266    HB1  ALA  42           HB1      ALA  42  -1.962   7.555  -3.620
  267    HB2  ALA  42           HB2      ALA  42  -2.091   6.671  -5.141
  268    HB3  ALA  42           HB3      ALA  42  -2.127   8.434  -5.140
  269    H    ALA  43           HN       ALA  43   0.184   9.181  -2.880
  270    HA   ALA  43           HA       ALA  43   0.868  11.331  -2.576
  271    HB1  ALA  43           HB1      ALA  43   2.323  11.239  -5.188
  272    HB2  ALA  43           HB2      ALA  43   2.864  10.251  -3.832
  273    HB3  ALA  43           HB3      ALA  43   2.793  12.006  -3.670
  274    HA   PRO  44           HA       PRO  44  -2.497  12.636  -5.619
  275    HB2  PRO  44           HB2      PRO  44  -3.508  13.823  -3.095
  276    HB3  PRO  44           HB1      PRO  44  -4.375  12.930  -4.347
  277    HG2  PRO  44           HG2      PRO  44  -3.815  11.805  -1.989
  278    HG3  PRO  44           HG1      PRO  44  -3.760  10.870  -3.495
  279    HD2  PRO  44           HD2      PRO  44  -1.514  11.981  -1.867
  280    HD3  PRO  44           HD1      PRO  44  -1.617  10.443  -2.748
  281    HA   PRO  45           HA       PRO  45  -1.474  17.116  -3.720
  282    HB2  PRO  45           HB2      PRO  45   1.120  16.272  -2.508
  283    HB3  PRO  45           HB1      PRO  45  -0.024  17.508  -1.972
  284    HG2  PRO  45           HG2      PRO  45   0.113  15.162  -0.727
  285    HG3  PRO  45           HG1      PRO  45  -1.450  15.956  -1.000
  286    HD2  PRO  45           HD2      PRO  45  -0.235  13.622  -2.405
  287    HD3  PRO  45           HD1      PRO  45  -1.935  13.947  -2.015
  288    H    ALA  46           HN       ALA  46   0.246  18.612  -4.497
  289    HA   ALA  46           HA       ALA  46   1.960  17.387  -6.550
  290    HB1  ALA  46           HB1      ALA  46   1.292  18.876  -8.206
  291    HB2  ALA  46           HB2      ALA  46   0.573  19.994  -7.047
  292    HB3  ALA  46           HB3      ALA  46  -0.222  18.460  -7.401
  293    HA   PRO  47           HA       PRO  47   4.753  19.981  -4.068
  294    HB2  PRO  47           HB2      PRO  47   7.041  18.888  -5.061
  295    HB3  PRO  47           HB1      PRO  47   6.102  18.152  -3.758
  296    HG2  PRO  47           HG2      PRO  47   6.122  17.501  -6.679
  297    HG3  PRO  47           HG1      PRO  47   6.111  16.402  -5.287
  298    HD2  PRO  47           HD2      PRO  47   3.879  16.964  -6.698
  299    HD3  PRO  47           HD1      PRO  47   3.840  16.648  -4.952
  300    H    PHE  48           HN       PHE  48   6.642  21.379  -4.681
  301    HA   PHE  48           HA       PHE  48   6.229  22.468  -7.386
  302    HB2  PHE  48           HB2      PHE  48   6.684  23.728  -4.737
  303    HB3  PHE  48           HB1      PHE  48   7.464  24.494  -6.118
  304    HD1  PHE  48           HD2      PHE  48   5.872  24.830  -8.207
  305    HD2  PHE  48           HD1      PHE  48   4.566  24.402  -4.180
  306    HE1  PHE  48           HE2      PHE  48   3.760  25.957  -8.776
  307    HE2  PHE  48           HE1      PHE  48   2.451  25.527  -4.741
  308    HZ   PHE  48           HZ       PHE  48   2.047  26.308  -7.042
  309    H    ARG  49           HN       ARG  49   7.760  20.914  -8.224
  310    HA   ARG  49           HA       ARG  49   9.807  20.306  -9.004
  311    HB2  ARG  49           HB2      ARG  49  10.837  22.941  -7.967
  312    HB3  ARG  49           HB1      ARG  49  11.443  22.000  -9.323
  313    HG2  ARG  49           HG2      ARG  49   9.410  22.477 -10.578
  314    HG3  ARG  49           HG1      ARG  49   8.778  23.399  -9.214
  315    HD2  ARG  49           HD2      ARG  49  11.336  24.044 -10.676
  316    HD3  ARG  49           HD1      ARG  49   9.779  24.805 -11.005
  317    HE   ARG  49           HE       ARG  49  10.127  25.205  -8.348
  318   HH11  ARG  49          HH11      ARG  49  12.103  25.850 -11.151
  319   HH12  ARG  49          HH12      ARG  49  12.875  27.229 -10.444
  320   HH21  ARG  49          HH21      ARG  49  11.141  27.019  -7.417
  321   HH22  ARG  49          HH22      ARG  49  12.330  27.892  -8.324
  322    H    LEU  50           HN       LEU  50  10.222  18.618  -7.611
  323    HA   LEU  50           HA       LEU  50  11.711  19.231  -5.156
  324    HB2  LEU  50           HB2      LEU  50   9.696  17.825  -4.941
  325    HB3  LEU  50           HB1      LEU  50  10.411  16.650  -6.027
  326    HG   LEU  50           HG       LEU  50  12.150  17.238  -3.769
  327   HD11  LEU  50          HD11      LEU  50   9.811  15.667  -2.895
  328   HD12  LEU  50          HD12      LEU  50   9.591  17.415  -2.987
  329   HD13  LEU  50          HD13      LEU  50  10.870  16.739  -1.979
  330   HD21  LEU  50          HD21      LEU  50  10.944  14.573  -4.240
  331   HD22  LEU  50          HD22      LEU  50  12.618  15.020  -3.916
  332   HD23  LEU  50          HD23      LEU  50  11.941  15.252  -5.527
  333    H    LEU  51           HN       LEU  51  12.762  19.200  -7.980
  334    HA   LEU  51           HA       LEU  51  15.281  18.106  -7.464
  335    HB2  LEU  51           HB2      LEU  51  13.381  16.164  -8.246
  336    HB3  LEU  51           HB1      LEU  51  14.438  16.412  -9.623
  337    HG   LEU  51           HG       LEU  51  15.911  16.130  -7.119
  338   HD11  LEU  51          HD11      LEU  51  14.343  13.748  -8.088
  339   HD12  LEU  51          HD12      LEU  51  13.961  14.672  -6.636
  340   HD13  LEU  51          HD13      LEU  51  15.489  13.798  -6.749
  341   HD21  LEU  51          HD21      LEU  51  16.476  15.907  -9.740
  342   HD22  LEU  51          HD22      LEU  51  16.211  14.210  -9.336
  343   HD23  LEU  51          HD23      LEU  51  17.428  15.144  -8.466
  344    H    TRP  52           HN       TRP  52  16.662  18.039  -9.476
  345    HA   TRP  52           HA       TRP  52  17.507  19.097 -11.303
  346    HB2  TRP  52           HB2      TRP  52  14.584  19.199 -12.071
  347    HB3  TRP  52           HB1      TRP  52  15.908  19.622 -13.152
  348    HD1  TRP  52           HD1      TRP  52  13.685  16.918 -12.779
  349    HE1  TRP  52           HE1      TRP  52  14.713  14.657 -13.458
  350    HE3  TRP  52           HE3      TRP  52  18.631  18.211 -12.694
  351    HZ2  TRP  52           HZ2      TRP  52  17.279  13.567 -13.898
  352    HZ3  TRP  52           HZ3      TRP  52  20.308  16.501 -13.255
  353    HH2  TRP  52           HH2      TRP  52  19.644  14.227 -13.845
  354    HA   PRO  53           HA       PRO  53  16.782  23.244  -9.460
  355    HB2  PRO  53           HB2      PRO  53  19.383  24.015  -9.610
  356    HB3  PRO  53           HB1      PRO  53  18.739  23.056  -8.273
  357    HG2  PRO  53           HG2      PRO  53  20.269  22.158 -10.685
  358    HG3  PRO  53           HG1      PRO  53  20.450  21.654  -8.995
  359    HD2  PRO  53           HD2      PRO  53  19.120  20.162 -10.816
  360    HD3  PRO  53           HD1      PRO  53  18.658  20.204  -9.102
  Start of MODEL   19
    1    H1   GLU   1           HT1      GLU   1  -4.089  -0.195 -15.044
    2    H2   GLU   1           HT2      GLU   1  -3.688   1.353 -14.417
    3    H3   GLU   1           HT3      GLU   1  -5.068   1.160 -15.420
    4    HA   GLU   1           HA       GLU   1  -4.768  -0.252 -12.870
    5    HB2  GLU   1           HB2      GLU   1  -6.157   1.582 -11.911
    6    HB3  GLU   1           HB1      GLU   1  -4.542   2.099 -12.374
    7    HG2  GLU   1           HG2      GLU   1  -5.608   2.866 -14.562
    8    HG3  GLU   1           HG1      GLU   1  -7.149   2.674 -13.729
    9    H    GLN   2           HN       GLN   2  -6.958  -0.739 -12.006
   10    HA   GLN   2           HA       GLN   2  -8.910  -1.146 -14.176
   11    HB2  GLN   2           HB2      GLN   2  -8.555  -3.037 -11.858
   12    HB3  GLN   2           HB1      GLN   2  -9.447  -3.303 -13.350
   13    HG2  GLN   2           HG2      GLN   2  -7.665  -4.218 -14.275
   14    HG3  GLN   2           HG1      GLN   2  -6.748  -2.735 -14.021
   15   HE21  GLN   2          HE21      GLN   2  -5.166  -2.717 -12.548
   16   HE22  GLN   2          HE22      GLN   2  -4.789  -4.023 -11.484
   17    H    ALA   3           HN       ALA   3  -9.877   0.857 -13.451
   18    HA   ALA   3           HA       ALA   3 -11.044   0.906 -10.796
   19    HB1  ALA   3           HB1      ALA   3 -11.907   2.994 -12.642
   20    HB2  ALA   3           HB2      ALA   3 -10.154   2.873 -12.486
   21    HB3  ALA   3           HB3      ALA   3 -11.152   3.123 -11.053
   22    HA   PRO   4           HA       PRO   4 -15.060   0.892 -13.626
   23    HB2  PRO   4           HB2      PRO   4 -13.955  -0.551 -15.971
   24    HB3  PRO   4           HB1      PRO   4 -15.105   0.788 -15.914
   25    HG2  PRO   4           HG2      PRO   4 -12.584   1.179 -16.694
   26    HG3  PRO   4           HG1      PRO   4 -13.437   2.385 -15.711
   27    HD2  PRO   4           HD2      PRO   4 -11.372   0.382 -14.888
   28    HD3  PRO   4           HD1      PRO   4 -11.587   2.064 -14.361
   29    H    GLY   5           HN       GLY   5 -16.253  -0.641 -12.696
   30    HA2  GLY   5           HA2      GLY   5 -17.014  -2.990 -12.990
   31    HA3  GLY   5           HA1      GLY   5 -15.319  -3.441 -12.887
   32    H    THR   6           HN       THR   6 -15.420  -4.726 -11.100
   33    HA   THR   6           HA       THR   6 -16.474  -3.529  -8.634
   34    HB   THR   6           HB       THR   6 -17.503  -5.651  -9.178
   35    HG1  THR   6           HG1      THR   6 -17.262  -5.490  -7.021
   36   HG21  THR   6          HG21      THR   6 -14.746  -6.852  -9.121
   37   HG22  THR   6          HG22      THR   6 -15.739  -6.624 -10.561
   38   HG23  THR   6          HG23      THR   6 -16.268  -7.726  -9.290
   39    H    ALA   7           HN       ALA   7 -13.614  -4.658 -10.182
   40    HA   ALA   7           HA       ALA   7 -11.418  -4.604  -9.600
   41    HB1  ALA   7           HB1      ALA   7 -12.195  -2.959  -7.207
   42    HB2  ALA   7           HB2      ALA   7 -12.120  -2.293  -8.838
   43    HB3  ALA   7           HB3      ALA   7 -10.668  -2.955  -8.089
   44    HA   PRO   8           HA       PRO   8 -11.318  -8.020  -6.723
   45    HB2  PRO   8           HB2      PRO   8  -8.721  -8.687  -7.028
   46    HB3  PRO   8           HB1      PRO   8  -9.936  -9.037  -8.263
   47    HG2  PRO   8           HG2      PRO   8  -7.954  -6.795  -8.137
   48    HG3  PRO   8           HG1      PRO   8  -8.414  -7.805  -9.520
   49    HD2  PRO   8           HD2      PRO   8  -9.401  -5.303  -9.118
   50    HD3  PRO   8           HD1      PRO   8 -10.314  -6.582  -9.942
   51    H    CYS   9           HN       CYS   9 -11.518  -5.869  -5.252
   52    HA   CYS   9           HA       CYS   9  -9.883  -6.328  -3.018
   53    HB2  CYS   9           HB2      CYS   9  -8.504  -4.867  -4.867
   54    HB3  CYS   9           HB1      CYS   9  -9.233  -3.593  -3.895
   55    H    SER  10           HN       SER  10 -11.352  -3.471  -4.578
   56    HA   SER  10           HA       SER  10 -12.989  -2.045  -3.905
   57    HB2  SER  10           HB2      SER  10 -13.827  -4.477  -2.315
   58    HB3  SER  10           HB1      SER  10 -14.788  -3.003  -2.424
   59    HG   SER  10           HG       SER  10 -14.839  -3.318  -4.701
   60    H    ARG  11           HN       ARG  11 -14.038  -1.072  -1.816
   61    HA   ARG  11           HA       ARG  11 -13.780   0.020   0.163
   62    HB2  ARG  11           HB2      ARG  11 -13.221  -2.360   0.946
   63    HB3  ARG  11           HB1      ARG  11 -11.537  -1.862   0.864
   64    HG2  ARG  11           HG2      ARG  11 -13.367  -0.099   2.370
   65    HG3  ARG  11           HG1      ARG  11 -13.009  -1.674   3.079
   66    HD2  ARG  11           HD2      ARG  11 -10.595  -1.187   2.838
   67    HD3  ARG  11           HD1      ARG  11 -11.006   0.418   2.233
   68    HE   ARG  11           HE       ARG  11 -11.376   1.081   4.384
   69   HH11  ARG  11          HH11      ARG  11 -11.457  -2.406   4.275
   70   HH12  ARG  11          HH12      ARG  11 -11.568  -2.581   5.994
   71   HH21  ARG  11          HH21      ARG  11 -11.521   0.852   6.646
   72   HH22  ARG  11          HH22      ARG  11 -11.604  -0.733   7.340
   73    H    GLY  12           HN       GLY  12 -10.453  -1.051  -0.581
   74    HA2  GLY  12           HA2      GLY  12  -9.282   0.963  -1.813
   75    HA3  GLY  12           HA1      GLY  12  -9.554   1.712  -0.247
   76    H    SER  13           HN       SER  13  -8.593  -1.612  -1.053
   77    HA   SER  13           HA       SER  13  -6.224  -1.229   0.646
   78    HB2  SER  13           HB2      SER  13  -7.127  -3.953  -0.170
   79    HB3  SER  13           HB1      SER  13  -6.391  -3.417   1.341
   80    HG   SER  13           HG       SER  13  -8.305  -2.920   2.112
   81    H    SER  14           HN       SER  14  -4.211  -2.124  -0.017
   82    HA   SER  14           HA       SER  14  -3.827  -1.996  -2.874
   83    HB2  SER  14           HB2      SER  14  -1.362  -2.194  -2.162
   84    HB3  SER  14           HB1      SER  14  -2.228  -0.730  -1.702
   85    HG   SER  14           HG       SER  14  -2.335  -1.422   0.361
   86    H    TRP  15           HN       TRP  15  -2.975  -3.619  -4.148
   87    HA   TRP  15           HA       TRP  15  -3.525  -6.300  -3.285
   88    HB2  TRP  15           HB2      TRP  15  -4.058  -5.928  -5.534
   89    HB3  TRP  15           HB1      TRP  15  -2.571  -5.042  -5.842
   90    HD1  TRP  15           HD1      TRP  15  -0.621  -6.369  -6.889
   91    HE1  TRP  15           HE1      TRP  15  -0.208  -8.842  -7.468
   92    HE3  TRP  15           HE3      TRP  15  -4.688  -8.438  -4.583
   93    HZ2  TRP  15           HZ2      TRP  15  -1.442 -11.335  -7.007
   94    HZ3  TRP  15           HZ3      TRP  15  -5.000 -10.874  -4.702
   95    HH2  TRP  15           HH2      TRP  15  -3.409 -12.292  -5.891
   96    H    SER  16           HN       SER  16  -1.931  -8.068  -3.502
   97    HA   SER  16           HA       SER  16   0.829  -7.248  -3.099
   98    HB2  SER  16           HB2      SER  16  -0.130  -9.423  -1.325
   99    HB3  SER  16           HB1      SER  16   1.071  -8.166  -1.021
  100    HG   SER  16           HG       SER  16  -1.749  -7.839  -1.048
  101    H    ALA  17           HN       ALA  17   2.002  -8.287  -4.555
  102    HA   ALA  17           HA       ALA  17   1.048 -10.757  -5.732
  103    HB1  ALA  17           HB1      ALA  17   2.364  -8.661  -6.792
  104    HB2  ALA  17           HB2      ALA  17   2.380 -10.280  -7.490
  105    HB3  ALA  17           HB3      ALA  17   3.717  -9.746  -6.472
  106    H    ASP  18           HN       ASP  18   3.327  -9.756  -3.334
  107    HA   ASP  18           HA       ASP  18   5.182 -11.817  -3.379
  108    HB2  ASP  18           HB2      ASP  18   4.355  -9.767  -1.525
  109    HB3  ASP  18           HB1      ASP  18   4.702 -11.260  -0.660
  110    H    LEU  19           HN       LEU  19   1.882 -11.803  -2.251
  111    HA   LEU  19           HA       LEU  19   2.026 -14.692  -1.898
  112    HB2  LEU  19           HB2      LEU  19   0.746 -14.553   0.229
  113    HB3  LEU  19           HB1      LEU  19   2.386 -13.941   0.341
  114    HG   LEU  19           HG       LEU  19   0.461 -11.845  -0.294
  115   HD11  LEU  19          HD11      LEU  19  -0.987 -11.947   1.423
  116   HD12  LEU  19          HD12      LEU  19   0.192 -12.672   2.516
  117   HD13  LEU  19          HD13      LEU  19  -0.653 -13.677   1.338
  118   HD21  LEU  19          HD21      LEU  19   2.438 -10.976   0.405
  119   HD22  LEU  19          HD22      LEU  19   2.773 -12.322   1.494
  120   HD23  LEU  19          HD23      LEU  19   1.627 -11.069   1.969
  121    H    ASP  20           HN       ASP  20   0.768 -12.594  -3.702
  122    HA   ASP  20           HA       ASP  20  -1.245 -12.103  -4.687
  123    HB2  ASP  20           HB2      ASP  20  -1.106 -15.075  -4.403
  124    HB3  ASP  20           HB1      ASP  20  -2.568 -14.353  -5.067
  125    H    LYS  21           HN       LYS  21  -2.031 -10.859  -2.864
  126    HA   LYS  21           HA       LYS  21  -4.647 -11.555  -2.127
  127    HB2  LYS  21           HB2      LYS  21  -2.519 -12.420  -0.292
  128    HB3  LYS  21           HB1      LYS  21  -3.798 -11.489   0.476
  129    HG2  LYS  21           HG2      LYS  21  -5.291 -13.189  -0.959
  130    HG3  LYS  21           HG1      LYS  21  -3.862 -14.191  -0.700
  131    HD2  LYS  21           HD2      LYS  21  -4.877 -14.719   1.239
  132    HD3  LYS  21           HD1      LYS  21  -4.229 -13.170   1.784
  133    HE2  LYS  21           HE2      LYS  21  -6.514 -13.173   2.383
  134    HE3  LYS  21           HE1      LYS  21  -6.378 -12.127   0.969
  135    HZ1  LYS  21           HZ1      LYS  21  -6.930 -14.331  -0.282
  136    HZ2  LYS  21           HZ2      LYS  21  -8.168 -13.404   0.402
  137    HZ3  LYS  21           HZ3      LYS  21  -7.603 -14.781   1.205
  138    H    CYS  22           HN       CYS  22  -5.711  -9.722  -1.707
  139    HA   CYS  22           HA       CYS  22  -4.469  -7.223  -1.804
  140    HB2  CYS  22           HB2      CYS  22  -7.197  -8.215  -1.200
  141    HB3  CYS  22           HB1      CYS  22  -6.815  -6.594  -0.632
  142    H    MET  23           HN       MET  23  -4.535  -5.521  -0.123
  143    HA   MET  23           HA       MET  23  -4.701  -6.220   2.622
  144    HB2  MET  23           HB2      MET  23  -2.320  -6.970   1.477
  145    HB3  MET  23           HB1      MET  23  -1.936  -5.379   2.121
  146    HG2  MET  23           HG2      MET  23  -2.377  -6.026   4.313
  147    HG3  MET  23           HG1      MET  23  -3.292  -7.446   3.808
  148    HE1  MET  23           HE1      MET  23  -0.089  -8.757   5.754
  149    HE2  MET  23           HE2      MET  23  -1.763  -8.233   5.932
  150    HE3  MET  23           HE3      MET  23  -0.463  -7.042   5.925
  151    H    ASP  24           HN       ASP  24  -4.986  -4.437   3.848
  152    HA   ASP  24           HA       ASP  24  -5.459  -1.960   2.652
  153    HB2  ASP  24           HB2      ASP  24  -5.511  -3.067   5.338
  154    HB3  ASP  24           HB1      ASP  24  -4.951  -1.398   5.339
  155    H    CYS  25           HN       CYS  25  -4.371   0.066   2.915
  156    HA   CYS  25           HA       CYS  25  -1.663   0.011   2.252
  157    HB2  CYS  25           HB2      CYS  25  -3.122   1.891   1.693
  158    HB3  CYS  25           HB1      CYS  25  -3.280   2.295   3.399
  159    H    ALA  26           HN       ALA  26  -3.176  -0.152   5.337
  160    HA   ALA  26           HA       ALA  26  -1.161   0.955   6.948
  161    HB1  ALA  26           HB1      ALA  26  -3.616   0.165   7.476
  162    HB2  ALA  26           HB2      ALA  26  -2.379   0.188   8.733
  163    HB3  ALA  26           HB3      ALA  26  -2.799  -1.329   7.936
  164    H    SER  27           HN       SER  27  -0.953  -1.524   8.683
  165    HA   SER  27           HA       SER  27   0.443  -3.290   9.021
  166    HB2  SER  27           HB2      SER  27  -0.419  -3.698   6.451
  167    HB3  SER  27           HB1      SER  27   1.331  -3.636   6.239
  168    HG   SER  27           HG       SER  27   1.350  -5.180   8.083
  169    H    CYS  28           HN       CYS  28   1.860  -1.535   6.254
  170    HA   CYS  28           HA       CYS  28   4.448  -1.573   7.511
  171    HB2  CYS  28           HB2      CYS  28   3.542  -0.360   4.897
  172    HB3  CYS  28           HB1      CYS  28   5.213  -0.465   5.436
  173    H    ARG  29           HN       ARG  29   2.948  -0.219   9.212
  174    HA   ARG  29           HA       ARG  29   2.981   2.615   8.650
  175    HB2  ARG  29           HB2      ARG  29   1.173   1.521   9.977
  176    HB3  ARG  29           HB1      ARG  29   2.348   1.202  11.245
  177    HG2  ARG  29           HG2      ARG  29   0.925   3.182  11.669
  178    HG3  ARG  29           HG1      ARG  29   2.651   3.543  11.641
  179    HD2  ARG  29           HD2      ARG  29   2.494   4.473   9.447
  180    HD3  ARG  29           HD1      ARG  29   0.834   3.907   9.267
  181    HE   ARG  29           HE       ARG  29   0.693   5.527  11.423
  182   HH11  ARG  29          HH11      ARG  29   1.983   5.954   8.208
  183   HH12  ARG  29          HH12      ARG  29   1.661   7.654   8.170
  184   HH21  ARG  29          HH21      ARG  29   0.269   7.764  11.374
  185   HH22  ARG  29          HH22      ARG  29   0.690   8.684   9.968
  186    H    ALA  30           HN       ALA  30   5.382   0.541   9.403
  187    HA   ALA  30           HA       ALA  30   7.043   2.659  10.453
  188    HB1  ALA  30           HB1      ALA  30   7.255   0.212  12.087
  189    HB2  ALA  30           HB2      ALA  30   5.819   1.202  12.350
  190    HB3  ALA  30           HB3      ALA  30   7.423   1.906  12.547
  191    H    ARG  31           HN       ARG  31   6.851  -0.838   9.808
  192    HA   ARG  31           HA       ARG  31   9.587  -0.711   8.730
  193    HB2  ARG  31           HB2      ARG  31   8.034  -2.826  10.129
  194    HB3  ARG  31           HB1      ARG  31   9.168  -3.347   8.890
  195    HG2  ARG  31           HG2      ARG  31  10.870  -3.107  10.283
  196    HG3  ARG  31           HG1      ARG  31  10.435  -1.422  10.583
  197    HD2  ARG  31           HD2      ARG  31  10.208  -2.229  12.699
  198    HD3  ARG  31           HD1      ARG  31   8.584  -2.568  12.100
  199    HE   ARG  31           HE       ARG  31   9.947  -4.829  11.509
  200   HH11  ARG  31          HH11      ARG  31   9.547  -2.978  14.441
  201   HH12  ARG  31          HH12      ARG  31   9.698  -4.355  15.480
  202   HH21  ARG  31          HH21      ARG  31  10.146  -6.641  12.874
  203   HH22  ARG  31          HH22      ARG  31  10.039  -6.435  14.590
  204    HA   PRO  32           HA       PRO  32   6.985  -1.201   4.966
  205    HB2  PRO  32           HB2      PRO  32   8.537   0.313   3.356
  206    HB3  PRO  32           HB1      PRO  32   7.340   1.018   4.449
  207    HG2  PRO  32           HG2      PRO  32  10.301   0.750   4.801
  208    HG3  PRO  32           HG1      PRO  32   9.253   2.134   5.163
  209    HD2  PRO  32           HD2      PRO  32  10.125   0.393   7.065
  210    HD3  PRO  32           HD1      PRO  32   8.577   1.253   7.176
  211    H    HIS  33           HN       HIS  33   7.351  -3.286   4.399
  212    HA   HIS  33           HA       HIS  33   9.609  -3.832   2.685
  213    HB2  HIS  33           HB2      HIS  33  10.226  -4.319   5.189
  214    HB3  HIS  33           HB1      HIS  33   9.246  -5.762   4.949
  215    HD1  HIS  33           HD1      HIS  33  11.674  -4.225   2.475
  216    HD2  HIS  33           HD2      HIS  33  11.182  -7.669   4.746
  217    HE1  HIS  33           HE1      HIS  33  13.513  -5.779   1.747
  218    HE2  HIS  33           HE2      HIS  33  13.140  -7.890   3.071
  219    H    SER  34           HN       SER  34   7.287  -3.744   1.634
  220    HA   SER  34           HA       SER  34   6.619  -6.474   1.037
  221    HB2  SER  34           HB2      SER  34   5.064  -5.088   2.920
  222    HB3  SER  34           HB1      SER  34   4.127  -5.056   1.427
  223    HG   SER  34           HG       SER  34   4.071  -7.238   1.401
  224    H    ASP  35           HN       ASP  35   4.253  -5.934  -0.376
  225    HA   ASP  35           HA       ASP  35   5.253  -4.203  -2.504
  226    HB2  ASP  35           HB2      ASP  35   4.014  -6.885  -2.544
  227    HB3  ASP  35           HB1      ASP  35   3.482  -5.776  -3.805
  228    H    PHE  36           HN       PHE  36   2.373  -5.285  -0.782
  229    HA   PHE  36           HA       PHE  36   0.506  -3.668  -2.122
  230    HB2  PHE  36           HB2      PHE  36  -0.960  -4.079  -0.213
  231    HB3  PHE  36           HB1      PHE  36  -0.129  -5.557  -0.678
  232    HD1  PHE  36           HD1      PHE  36  -0.460  -2.966   1.874
  233    HD2  PHE  36           HD2      PHE  36   1.547  -6.547   0.755
  234    HE1  PHE  36           HE1      PHE  36   0.343  -3.232   4.184
  235    HE2  PHE  36           HE2      PHE  36   2.353  -6.821   3.063
  236    HZ   PHE  36           HZ       PHE  36   1.752  -5.162   4.781
  237    H    CYS  37           HN       CYS  37   2.334  -3.100   0.874
  238    HA   CYS  37           HA       CYS  37   1.266  -0.453   1.188
  239    HB2  CYS  37           HB2      CYS  37   2.853  -0.270   3.060
  240    HB3  CYS  37           HB1      CYS  37   1.912  -1.756   3.149
  241    H    LEU  38           HN       LEU  38   4.039  -1.880  -0.339
  242    HA   LEU  38           HA       LEU  38   5.677   0.414  -0.475
  243    HB2  LEU  38           HB2      LEU  38   6.477  -1.881  -0.879
  244    HB3  LEU  38           HB1      LEU  38   5.546  -1.937  -2.363
  245    HG   LEU  38           HG       LEU  38   7.378   0.340  -2.246
  246   HD11  LEU  38          HD11      LEU  38   8.365  -2.388  -1.689
  247   HD12  LEU  38          HD12      LEU  38   9.050  -0.821  -1.261
  248   HD13  LEU  38          HD13      LEU  38   9.251  -1.454  -2.895
  249   HD21  LEU  38          HD21      LEU  38   7.568  -0.049  -4.486
  250   HD22  LEU  38          HD22      LEU  38   6.017  -0.832  -4.187
  251   HD23  LEU  38          HD23      LEU  38   7.486  -1.801  -4.302
  252    H    GLY  39           HN       GLY  39   2.759  -0.349  -2.062
  253    HA2  GLY  39           HA2      GLY  39   3.324   1.648  -4.160
  254    HA3  GLY  39           HA1      GLY  39   2.151   0.352  -4.317
  255    H    CYS  40           HN       CYS  40   1.159   0.786  -1.558
  256    HA   CYS  40           HA       CYS  40  -0.941   2.550  -2.167
  257    HB2  CYS  40           HB2      CYS  40  -1.793   2.065  -0.051
  258    HB3  CYS  40           HB1      CYS  40  -0.827   0.641  -0.415
  259    H    ALA  41           HN       ALA  41   2.123   3.026  -0.548
  260    HA   ALA  41           HA       ALA  41   1.697   5.451   0.722
  261    HB1  ALA  41           HB1      ALA  41   3.756   4.738   1.278
  262    HB2  ALA  41           HB2      ALA  41   4.264   5.721  -0.095
  263    HB3  ALA  41           HB3      ALA  41   4.034   3.983  -0.291
  264    H    ALA  42           HN       ALA  42   3.576   5.299  -2.289
  265    HA   ALA  42           HA       ALA  42   1.936   7.045  -3.773
  266    HB1  ALA  42           HB1      ALA  42   2.927   9.130  -3.555
  267    HB2  ALA  42           HB2      ALA  42   4.395   8.468  -2.834
  268    HB3  ALA  42           HB3      ALA  42   2.905   8.538  -1.894
  269    H    ALA  43           HN       ALA  43   2.477   6.890  -5.863
  270    HA   ALA  43           HA       ALA  43   4.670   5.248  -6.638
  271    HB1  ALA  43           HB1      ALA  43   2.695   6.866  -8.233
  272    HB2  ALA  43           HB2      ALA  43   2.681   5.127  -7.934
  273    HB3  ALA  43           HB3      ALA  43   3.926   5.834  -8.963
  274    HA   PRO  44           HA       PRO  44   7.653   8.613  -6.724
  275    HB2  PRO  44           HB2      PRO  44   9.717   7.138  -7.728
  276    HB3  PRO  44           HB1      PRO  44   9.248   7.125  -6.025
  277    HG2  PRO  44           HG2      PRO  44   8.576   5.172  -8.191
  278    HG3  PRO  44           HG1      PRO  44   9.059   4.861  -6.513
  279    HD2  PRO  44           HD2      PRO  44   6.487   4.731  -7.306
  280    HD3  PRO  44           HD1      PRO  44   6.945   5.303  -5.689
  281    HA   PRO  45           HA       PRO  45   6.779   9.438 -11.114
  282    HB2  PRO  45           HB2      PRO  45   7.351  12.099 -10.976
  283    HB3  PRO  45           HB1      PRO  45   5.791  11.415 -10.503
  284    HG2  PRO  45           HG2      PRO  45   8.114  12.206  -8.788
  285    HG3  PRO  45           HG1      PRO  45   6.381  12.482  -8.524
  286    HD2  PRO  45           HD2      PRO  45   7.732  10.505  -7.276
  287    HD3  PRO  45           HD1      PRO  45   6.030  10.334  -7.750
  288    H    ALA  46           HN       ALA  46   8.163  11.199 -12.570
  289    HA   ALA  46           HA       ALA  46  10.709   9.927 -12.869
  290    HB1  ALA  46           HB1      ALA  46  10.752  10.854 -14.930
  291    HB2  ALA  46           HB2      ALA  46  10.172  12.419 -14.359
  292    HB3  ALA  46           HB3      ALA  46   9.035  11.096 -14.612
  293    HA   PRO  47           HA       PRO  47  13.324  12.607 -10.547
  294    HB2  PRO  47           HB2      PRO  47  15.536  12.736 -12.142
  295    HB3  PRO  47           HB1      PRO  47  15.121  11.324 -11.166
  296    HG2  PRO  47           HG2      PRO  47  14.649  11.818 -14.079
  297    HG3  PRO  47           HG1      PRO  47  15.218  10.345 -13.271
  298    HD2  PRO  47           HD2      PRO  47  12.663  10.641 -14.079
  299    HD3  PRO  47           HD1      PRO  47  13.090   9.733 -12.614
  300    H    PHE  48           HN       PHE  48  15.167  14.447 -11.331
  301    HA   PHE  48           HA       PHE  48  15.463  16.591 -12.021
  302    HB2  PHE  48           HB2      PHE  48  13.732  15.472 -14.158
  303    HB3  PHE  48           HB1      PHE  48  13.832  17.226 -14.060
  304    HD1  PHE  48           HD1      PHE  48  16.257  14.406 -13.714
  305    HD2  PHE  48           HD2      PHE  48  15.302  18.117 -15.564
  306    HE1  PHE  48           HE1      PHE  48  18.395  14.345 -14.931
  307    HE2  PHE  48           HE2      PHE  48  17.438  18.062 -16.785
  308    HZ   PHE  48           HZ       PHE  48  18.987  16.174 -16.470
  309    H    ARG  49           HN       ARG  49  11.985  16.171 -12.675
  310    HA   ARG  49           HA       ARG  49  10.136  17.137 -11.762
  311    HB2  ARG  49           HB2      ARG  49  11.894  18.099  -9.506
  312    HB3  ARG  49           HB1      ARG  49  10.150  17.876  -9.485
  313    HG2  ARG  49           HG2      ARG  49  10.598  15.417  -9.886
  314    HG3  ARG  49           HG1      ARG  49  12.290  15.772  -9.528
  315    HD2  ARG  49           HD2      ARG  49  11.499  16.781  -7.359
  316    HD3  ARG  49           HD1      ARG  49   9.907  16.112  -7.718
  317    HE   ARG  49           HE       ARG  49  10.686  14.031  -7.156
  318   HH11  ARG  49          HH11      ARG  49  13.397  16.193  -7.547
  319   HH12  ARG  49          HH12      ARG  49  14.548  15.064  -6.914
  320   HH21  ARG  49          HH21      ARG  49  12.198  12.546  -6.324
  321   HH22  ARG  49          HH22      ARG  49  13.869  12.994  -6.221
  322    H    LEU  50           HN       LEU  50  12.757  19.355 -10.790
  323    HA   LEU  50           HA       LEU  50  11.483  21.427 -12.451
  324    HB2  LEU  50           HB2      LEU  50  12.466  21.564  -9.628
  325    HB3  LEU  50           HB1      LEU  50  12.501  23.003 -10.629
  326    HG   LEU  50           HG       LEU  50   9.931  21.534 -10.536
  327   HD11  LEU  50          HD11      LEU  50   9.298  22.183  -8.401
  328   HD12  LEU  50          HD12      LEU  50  10.624  23.337  -8.250
  329   HD13  LEU  50          HD13      LEU  50  10.947  21.606  -8.164
  330   HD21  LEU  50          HD21      LEU  50   9.048  23.812 -10.526
  331   HD22  LEU  50          HD22      LEU  50  10.201  23.578 -11.839
  332   HD23  LEU  50          HD23      LEU  50  10.685  24.450 -10.385
  333    H    LEU  51           HN       LEU  51  14.496  20.833 -10.628
  334    HA   LEU  51           HA       LEU  51  16.166  20.859 -12.886
  335    HB2  LEU  51           HB2      LEU  51  15.397  23.456 -11.896
  336    HB3  LEU  51           HB1      LEU  51  17.127  23.227 -11.716
  337    HG   LEU  51           HG       LEU  51  15.712  22.735 -14.327
  338   HD11  LEU  51          HD11      LEU  51  16.937  25.077 -14.747
  339   HD12  LEU  51          HD12      LEU  51  16.498  25.279 -13.051
  340   HD13  LEU  51          HD13      LEU  51  15.249  24.945 -14.250
  341   HD21  LEU  51          HD21      LEU  51  18.205  23.503 -14.940
  342   HD22  LEU  51          HD22      LEU  51  17.756  21.822 -14.648
  343   HD23  LEU  51          HD23      LEU  51  18.504  22.770 -13.363
  344    H    TRP  52           HN       TRP  52  18.475  20.883 -12.308
  345    HA   TRP  52           HA       TRP  52  18.870  20.052  -9.507
  346    HB2  TRP  52           HB2      TRP  52  20.169  19.066 -12.047
  347    HB3  TRP  52           HB1      TRP  52  20.808  18.706 -10.446
  348    HD1  TRP  52           HD1      TRP  52  18.694  17.210 -12.974
  349    HE1  TRP  52           HE1      TRP  52  17.181  15.377 -11.987
  350    HE3  TRP  52           HE3      TRP  52  19.208  18.316  -8.009
  351    HZ2  TRP  52           HZ2      TRP  52  16.319  14.515  -9.441
  352    HZ3  TRP  52           HZ3      TRP  52  18.007  16.940  -6.363
  353    HH2  TRP  52           HH2      TRP  52  16.591  15.078  -7.066
  354    HA   PRO  53           HA       PRO  53  21.943  23.081  -8.665
  355    HB2  PRO  53           HB2      PRO  53  23.908  20.870  -8.269
  356    HB3  PRO  53           HB1      PRO  53  23.497  22.216  -7.199
  357    HG2  PRO  53           HG2      PRO  53  22.597  19.763  -6.697
  358    HG3  PRO  53           HG1      PRO  53  21.572  21.183  -6.421
  359    HD2  PRO  53           HD2      PRO  53  21.476  19.173  -8.622
  360    HD3  PRO  53           HD1      PRO  53  20.150  20.046  -7.829
  Start of MODEL   20
    1    H1   GLU   1           HT1      GLU   1 -12.733 -14.180  12.993
    2    H2   GLU   1           HT2      GLU   1 -14.445 -14.238  12.898
    3    H3   GLU   1           HT3      GLU   1 -13.541 -13.463  11.663
    4    HA   GLU   1           HA       GLU   1 -12.449 -15.668  11.302
    5    HB2  GLU   1           HB2      GLU   1 -14.795 -16.377  13.059
    6    HB3  GLU   1           HB1      GLU   1 -14.056 -17.545  11.972
    7    HG2  GLU   1           HG2      GLU   1 -11.910 -17.236  13.119
    8    HG3  GLU   1           HG1      GLU   1 -12.680 -16.099  14.225
    9    H    GLN   2           HN       GLN   2 -13.021 -14.434   9.373
   10    HA   GLN   2           HA       GLN   2 -15.705 -14.933   8.320
   11    HB2  GLN   2           HB2      GLN   2 -15.030 -13.361   6.517
   12    HB3  GLN   2           HB1      GLN   2 -14.947 -12.652   8.123
   13    HG2  GLN   2           HG2      GLN   2 -12.419 -13.798   7.535
   14    HG3  GLN   2           HG1      GLN   2 -12.921 -12.823   6.154
   15   HE21  GLN   2          HE21      GLN   2 -11.724 -11.043   6.343
   16   HE22  GLN   2          HE22      GLN   2 -11.673 -10.018   7.733
   17    H    ALA   3           HN       ALA   3 -15.952 -15.705   6.110
   18    HA   ALA   3           HA       ALA   3 -14.123 -17.896   5.575
   19    HB1  ALA   3           HB1      ALA   3 -16.853 -17.612   5.342
   20    HB2  ALA   3           HB2      ALA   3 -15.887 -18.932   4.684
   21    HB3  ALA   3           HB3      ALA   3 -16.295 -17.549   3.670
   22    HA   PRO   4           HA       PRO   4 -14.098 -15.385   1.303
   23    HB2  PRO   4           HB2      PRO   4 -14.478 -12.704   2.547
   24    HB3  PRO   4           HB1      PRO   4 -15.029 -13.306   0.980
   25    HG2  PRO   4           HG2      PRO   4 -16.734 -13.037   3.006
   26    HG3  PRO   4           HG1      PRO   4 -16.847 -14.417   1.898
   27    HD2  PRO   4           HD2      PRO   4 -15.791 -14.304   4.686
   28    HD3  PRO   4           HD1      PRO   4 -16.683 -15.601   3.868
   29    H    GLY   5           HN       GLY   5 -12.517 -13.441   0.677
   30    HA2  GLY   5           HA2      GLY   5 -10.427 -13.043   2.664
   31    HA3  GLY   5           HA1      GLY   5  -9.981 -14.013   1.269
   32    H    THR   6           HN       THR   6 -11.302 -12.704  -0.762
   33    HA   THR   6           HA       THR   6  -9.679 -10.301  -0.979
   34    HB   THR   6           HB       THR   6 -11.476 -11.437  -3.112
   35    HG1  THR   6           HG1      THR   6 -10.263 -13.145  -2.970
   36   HG21  THR   6          HG21      THR   6  -9.144 -10.615  -4.279
   37   HG22  THR   6          HG22      THR   6  -9.403  -9.401  -3.026
   38   HG23  THR   6          HG23      THR   6 -10.654  -9.705  -4.233
   39    H    ALA   7           HN       ALA   7 -12.794 -11.035   0.001
   40    HA   ALA   7           HA       ALA   7 -14.248  -8.890  -1.156
   41    HB1  ALA   7           HB1      ALA   7 -15.757 -10.359  -0.366
   42    HB2  ALA   7           HB2      ALA   7 -15.621  -9.396   1.105
   43    HB3  ALA   7           HB3      ALA   7 -14.708 -10.895   0.946
   44    HA   PRO   8           HA       PRO   8 -13.556  -6.580   3.020
   45    HB2  PRO   8           HB2      PRO   8 -11.745  -7.608   4.766
   46    HB3  PRO   8           HB1      PRO   8 -13.459  -8.037   4.791
   47    HG2  PRO   8           HG2      PRO   8 -11.149  -9.529   3.606
   48    HG3  PRO   8           HG1      PRO   8 -12.513 -10.148   4.556
   49    HD2  PRO   8           HD2      PRO   8 -12.417 -10.343   1.862
   50    HD3  PRO   8           HD1      PRO   8 -13.943 -10.136   2.746
   51    H    CYS   9           HN       CYS   9 -12.283  -6.103   0.718
   52    HA   CYS   9           HA       CYS   9 -10.140  -4.463   1.428
   53    HB2  CYS   9           HB2      CYS   9  -8.257  -5.650   0.340
   54    HB3  CYS   9           HB1      CYS   9  -8.858  -6.497   1.761
   55    H    SER  10           HN       SER  10 -11.901  -3.429   0.098
   56    HA   SER  10           HA       SER  10 -10.944  -3.168  -2.622
   57    HB2  SER  10           HB2      SER  10 -12.813  -5.016  -2.433
   58    HB3  SER  10           HB1      SER  10 -13.892  -3.624  -2.354
   59    HG   SER  10           HG       SER  10 -12.976  -4.698  -4.508
   60    H    ARG  11           HN       ARG  11 -10.798  -1.382  -0.521
   61    HA   ARG  11           HA       ARG  11 -12.562   0.755  -1.490
   62    HB2  ARG  11           HB2      ARG  11 -12.366  -0.313   1.247
   63    HB3  ARG  11           HB1      ARG  11 -12.260   1.438   1.138
   64    HG2  ARG  11           HG2      ARG  11 -14.434   0.127  -0.381
   65    HG3  ARG  11           HG1      ARG  11 -14.570   0.145   1.377
   66    HD2  ARG  11           HD2      ARG  11 -15.046   2.327   1.418
   67    HD3  ARG  11           HD1      ARG  11 -13.749   2.714   0.289
   68    HE   ARG  11           HE       ARG  11 -15.757   1.542  -1.205
   69   HH11  ARG  11          HH11      ARG  11 -15.390   4.376   0.799
   70   HH12  ARG  11          HH12      ARG  11 -16.557   5.303  -0.082
   71   HH21  ARG  11          HH21      ARG  11 -17.291   2.760  -2.365
   72   HH22  ARG  11          HH22      ARG  11 -17.638   4.386  -1.877
   73    H    GLY  12           HN       GLY  12  -9.805   0.147   0.697
   74    HA2  GLY  12           HA2      GLY  12  -8.278   2.179  -0.754
   75    HA3  GLY  12           HA1      GLY  12  -8.529   2.429   0.967
   76    H    SER  13           HN       SER  13  -8.117  -0.757  -0.398
   77    HA   SER  13           HA       SER  13  -5.673  -1.064   1.168
   78    HB2  SER  13           HB2      SER  13  -6.013  -3.415   1.012
   79    HB3  SER  13           HB1      SER  13  -7.608  -2.716   1.289
   80    HG   SER  13           HG       SER  13  -8.211  -3.278  -0.670
   81    H    SER  14           HN       SER  14  -4.467  -3.146  -0.233
   82    HA   SER  14           HA       SER  14  -3.987  -2.306  -2.937
   83    HB2  SER  14           HB2      SER  14  -1.931  -1.908  -0.774
   84    HB3  SER  14           HB1      SER  14  -1.468  -2.105  -2.463
   85    HG   SER  14           HG       SER  14  -2.919  -0.309  -2.898
   86    H    TRP  15           HN       TRP  15  -3.614  -4.037  -4.144
   87    HA   TRP  15           HA       TRP  15  -3.547  -6.631  -3.120
   88    HB2  TRP  15           HB2      TRP  15  -4.287  -6.462  -5.330
   89    HB3  TRP  15           HB1      TRP  15  -2.942  -5.433  -5.806
   90    HD1  TRP  15           HD1      TRP  15  -0.886  -6.588  -6.881
   91    HE1  TRP  15           HE1      TRP  15  -0.259  -9.026  -7.415
   92    HE3  TRP  15           HE3      TRP  15  -4.618  -8.971  -4.323
   93    HZ2  TRP  15           HZ2      TRP  15  -1.218 -11.612  -6.829
   94    HZ3  TRP  15           HZ3      TRP  15  -4.692 -11.428  -4.364
   95    HH2  TRP  15           HH2      TRP  15  -3.026 -12.722  -5.591
   96    H    SER  16           HN       SER  16  -1.800  -8.249  -3.430
   97    HA   SER  16           HA       SER  16   0.889  -7.171  -3.315
   98    HB2  SER  16           HB2      SER  16   0.378  -9.255  -1.294
   99    HB3  SER  16           HB1      SER  16   1.366  -7.798  -1.186
  100    HG   SER  16           HG       SER  16  -1.457  -7.972  -0.962
  101    H    ALA  17           HN       ALA  17   2.240  -8.334  -4.513
  102    HA   ALA  17           HA       ALA  17   1.333 -10.895  -5.561
  103    HB1  ALA  17           HB1      ALA  17   3.722  -9.213  -6.309
  104    HB2  ALA  17           HB2      ALA  17   2.166  -9.238  -7.138
  105    HB3  ALA  17           HB3      ALA  17   3.190 -10.674  -7.141
  106    H    ASP  18           HN       ASP  18   3.563  -9.646  -3.248
  107    HA   ASP  18           HA       ASP  18   5.555 -11.563  -3.191
  108    HB2  ASP  18           HB2      ASP  18   4.835  -9.412  -1.614
  109    HB3  ASP  18           HB1      ASP  18   4.668 -10.778  -0.516
  110    H    LEU  19           HN       LEU  19   2.249 -11.773  -2.090
  111    HA   LEU  19           HA       LEU  19   2.595 -14.632  -1.687
  112    HB2  LEU  19           HB2      LEU  19   0.933 -13.920   0.439
  113    HB3  LEU  19           HB1      LEU  19   2.570 -14.537   0.534
  114    HG   LEU  19           HG       LEU  19   3.414 -12.197   0.482
  115   HD11  LEU  19          HD11      LEU  19   1.365 -10.616   1.246
  116   HD12  LEU  19          HD12      LEU  19   0.547 -11.670   0.094
  117   HD13  LEU  19          HD13      LEU  19   1.954 -10.737  -0.411
  118   HD21  LEU  19          HD21      LEU  19   3.434 -12.858   2.643
  119   HD22  LEU  19          HD22      LEU  19   1.741 -13.354   2.622
  120   HD23  LEU  19          HD23      LEU  19   2.158 -11.648   2.787
  121    H    ASP  20           HN       ASP  20   1.173 -12.663  -3.497
  122    HA   ASP  20           HA       ASP  20  -0.876 -12.328  -4.466
  123    HB2  ASP  20           HB2      ASP  20  -0.223 -15.142  -4.365
  124    HB3  ASP  20           HB1      ASP  20  -1.969 -14.914  -4.389
  125    H    LYS  21           HN       LYS  21  -1.727 -11.068  -2.691
  126    HA   LYS  21           HA       LYS  21  -4.286 -11.863  -1.907
  127    HB2  LYS  21           HB2      LYS  21  -3.994 -12.139   0.518
  128    HB3  LYS  21           HB1      LYS  21  -3.168 -13.400  -0.385
  129    HG2  LYS  21           HG2      LYS  21  -1.129 -12.754   0.315
  130    HG3  LYS  21           HG1      LYS  21  -1.542 -11.039   0.291
  131    HD2  LYS  21           HD2      LYS  21  -2.919 -11.433   2.348
  132    HD3  LYS  21           HD1      LYS  21  -2.254 -13.067   2.404
  133    HE2  LYS  21           HE2      LYS  21   0.041 -11.900   2.329
  134    HE3  LYS  21           HE1      LYS  21  -0.848 -10.445   2.777
  135    HZ1  LYS  21           HZ1      LYS  21   0.091 -11.699   4.681
  136    HZ2  LYS  21           HZ2      LYS  21  -0.949 -12.982   4.315
  137    HZ3  LYS  21           HZ3      LYS  21  -1.585 -11.483   4.774
  138    H    CYS  22           HN       CYS  22  -5.445 -10.108  -1.355
  139    HA   CYS  22           HA       CYS  22  -4.301  -7.547  -1.549
  140    HB2  CYS  22           HB2      CYS  22  -6.517  -6.714  -0.878
  141    HB3  CYS  22           HB1      CYS  22  -6.644  -7.972  -2.101
  142    H    MET  23           HN       MET  23  -4.358  -5.845   0.098
  143    HA   MET  23           HA       MET  23  -4.475  -6.544   2.859
  144    HB2  MET  23           HB2      MET  23  -2.034  -7.035   1.596
  145    HB3  MET  23           HB1      MET  23  -1.799  -5.508   2.435
  146    HG2  MET  23           HG2      MET  23  -3.114  -7.615   4.004
  147    HG3  MET  23           HG1      MET  23  -1.441  -7.935   3.551
  148    HE1  MET  23           HE1      MET  23  -0.498  -6.838   7.009
  149    HE2  MET  23           HE2      MET  23   0.307  -7.403   5.545
  150    HE3  MET  23           HE3      MET  23  -1.179  -8.182   6.091
  151    H    ASP  24           HN       ASP  24  -5.154  -4.809   3.921
  152    HA   ASP  24           HA       ASP  24  -5.527  -2.322   2.682
  153    HB2  ASP  24           HB2      ASP  24  -5.757  -3.326   5.490
  154    HB3  ASP  24           HB1      ASP  24  -5.833  -1.592   5.196
  155    H    CYS  25           HN       CYS  25  -4.684  -0.224   3.491
  156    HA   CYS  25           HA       CYS  25  -1.847  -0.189   3.331
  157    HB2  CYS  25           HB2      CYS  25  -3.832   1.635   2.843
  158    HB3  CYS  25           HB1      CYS  25  -3.140   2.254   4.337
  159    H    ALA  26           HN       ALA  26  -4.138  -0.086   5.959
  160    HA   ALA  26           HA       ALA  26  -2.312   0.844   7.945
  161    HB1  ALA  26           HB1      ALA  26  -5.068  -0.225   7.907
  162    HB2  ALA  26           HB2      ALA  26  -4.417   1.215   8.691
  163    HB3  ALA  26           HB3      ALA  26  -4.176  -0.373   9.421
  164    H    SER  27           HN       SER  27  -0.512  -0.585   7.420
  165    HA   SER  27           HA       SER  27  -0.384  -2.790   9.206
  166    HB2  SER  27           HB2      SER  27   0.022  -3.564   6.325
  167    HB3  SER  27           HB1      SER  27  -0.185  -4.612   7.728
  168    HG   SER  27           HG       SER  27  -2.362  -3.821   7.843
  169    H    CYS  28           HN       CYS  28   1.046  -1.187   6.404
  170    HA   CYS  28           HA       CYS  28   3.697  -1.679   7.520
  171    HB2  CYS  28           HB2      CYS  28   4.585  -1.253   5.294
  172    HB3  CYS  28           HB1      CYS  28   3.341  -2.496   5.219
  173    H    ARG  29           HN       ARG  29   2.472   0.201   8.908
  174    HA   ARG  29           HA       ARG  29   3.158   2.805   7.764
  175    HB2  ARG  29           HB2      ARG  29   1.896   3.764   9.608
  176    HB3  ARG  29           HB1      ARG  29   0.933   2.541   8.791
  177    HG2  ARG  29           HG2      ARG  29   1.928   0.981  10.660
  178    HG3  ARG  29           HG1      ARG  29   2.125   2.514  11.511
  179    HD2  ARG  29           HD2      ARG  29  -0.399   2.793  10.614
  180    HD3  ARG  29           HD1      ARG  29  -0.329   1.040  10.789
  181    HE   ARG  29           HE       ARG  29   0.672   2.383  13.097
  182   HH11  ARG  29          HH11      ARG  29  -2.263   1.408  11.479
  183   HH12  ARG  29          HH12      ARG  29  -3.197   1.355  12.935
  184   HH21  ARG  29          HH21      ARG  29  -0.555   2.313  15.014
  185   HH22  ARG  29          HH22      ARG  29  -2.229   1.870  14.943
  186    H    ALA  30           HN       ALA  30   5.302   1.095   8.445
  187    HA   ALA  30           HA       ALA  30   6.904   2.838   9.964
  188    HB1  ALA  30           HB1      ALA  30   5.342   1.521  11.672
  189    HB2  ALA  30           HB2      ALA  30   7.007   1.957  12.055
  190    HB3  ALA  30           HB3      ALA  30   6.627   0.325  11.508
  191    H    ARG  31           HN       ARG  31   6.407  -0.531   8.994
  192    HA   ARG  31           HA       ARG  31   9.250  -0.641   8.221
  193    HB2  ARG  31           HB2      ARG  31   7.477  -2.928   9.096
  194    HB3  ARG  31           HB1      ARG  31   9.153  -3.071   8.587
  195    HG2  ARG  31           HG2      ARG  31   9.897  -2.565  10.613
  196    HG3  ARG  31           HG1      ARG  31   8.877  -1.128  10.700
  197    HD2  ARG  31           HD2      ARG  31   7.661  -2.171  12.241
  198    HD3  ARG  31           HD1      ARG  31   7.131  -3.291  10.987
  199    HE   ARG  31           HE       ARG  31   9.016  -3.809  13.095
  200   HH11  ARG  31          HH11      ARG  31   7.950  -4.760   9.911
  201   HH12  ARG  31          HH12      ARG  31   8.580  -6.367  10.044
  202   HH21  ARG  31          HH21      ARG  31   9.846  -5.922  13.271
  203   HH22  ARG  31          HH22      ARG  31   9.655  -7.028  11.952
  204    HA   PRO  32           HA       PRO  32   6.855  -0.968   4.303
  205    HB2  PRO  32           HB2      PRO  32   8.770   0.198   2.769
  206    HB3  PRO  32           HB1      PRO  32   7.575   1.125   3.683
  207    HG2  PRO  32           HG2      PRO  32  10.418   0.494   4.378
  208    HG3  PRO  32           HG1      PRO  32   9.538   2.024   4.548
  209    HD2  PRO  32           HD2      PRO  32   9.959   0.355   6.634
  210    HD3  PRO  32           HD1      PRO  32   8.500   1.357   6.496
  211    H    HIS  33           HN       HIS  33   6.952  -3.144   3.949
  212    HA   HIS  33           HA       HIS  33   9.132  -4.110   2.336
  213    HB2  HIS  33           HB2      HIS  33   9.382  -4.497   5.063
  214    HB3  HIS  33           HB1      HIS  33   8.685  -6.015   4.512
  215    HD1  HIS  33           HD1      HIS  33  11.646  -3.767   3.745
  216    HD2  HIS  33           HD2      HIS  33  10.490  -7.747   3.445
  217    HE1  HIS  33           HE1      HIS  33  13.692  -5.006   2.970
  218    HE2  HIS  33           HE2      HIS  33  12.993  -7.425   2.881
  219    H    SER  34           HN       SER  34   6.860  -3.855   1.243
  220    HA   SER  34           HA       SER  34   5.949  -6.480   0.682
  221    HB2  SER  34           HB2      SER  34   4.138  -4.662   2.274
  222    HB3  SER  34           HB1      SER  34   3.533  -6.013   1.316
  223    HG   SER  34           HG       SER  34   4.973  -6.015   3.692
  224    H    ASP  35           HN       ASP  35   4.782  -6.587  -1.217
  225    HA   ASP  35           HA       ASP  35   5.154  -4.565  -3.090
  226    HB2  ASP  35           HB2      ASP  35   4.425  -7.156  -3.248
  227    HB3  ASP  35           HB1      ASP  35   2.865  -6.393  -3.541
  228    H    PHE  36           HN       PHE  36   2.277  -5.370  -1.176
  229    HA   PHE  36           HA       PHE  36   0.522  -3.541  -2.366
  230    HB2  PHE  36           HB2      PHE  36  -0.852  -3.793  -0.373
  231    HB3  PHE  36           HB1      PHE  36  -0.203  -5.355  -0.857
  232    HD1  PHE  36           HD1      PHE  36   0.486  -2.514   1.450
  233    HD2  PHE  36           HD2      PHE  36   0.829  -6.692   0.714
  234    HE1  PHE  36           HE1      PHE  36   1.380  -2.837   3.720
  235    HE2  PHE  36           HE2      PHE  36   1.723  -7.022   2.982
  236    HZ   PHE  36           HZ       PHE  36   1.999  -5.093   4.488
  237    H    CYS  37           HN       CYS  37   3.065  -3.089  -0.045
  238    HA   CYS  37           HA       CYS  37   2.178  -0.496   0.822
  239    HB2  CYS  37           HB2      CYS  37   3.734  -2.227   2.036
  240    HB3  CYS  37           HB1      CYS  37   5.007  -1.436   1.114
  241    H    LEU  38           HN       LEU  38   4.458  -1.758  -1.542
  242    HA   LEU  38           HA       LEU  38   5.782   0.612  -2.196
  243    HB2  LEU  38           HB2      LEU  38   6.386  -1.712  -2.931
  244    HB3  LEU  38           HB1      LEU  38   5.086  -1.617  -4.104
  245    HG   LEU  38           HG       LEU  38   6.515   0.653  -4.669
  246   HD11  LEU  38          HD11      LEU  38   8.878  -0.456  -4.917
  247   HD12  LEU  38          HD12      LEU  38   8.344  -1.397  -3.524
  248   HD13  LEU  38          HD13      LEU  38   8.415   0.362  -3.425
  249   HD21  LEU  38          HD21      LEU  38   7.027  -2.055  -5.886
  250   HD22  LEU  38          HD22      LEU  38   7.181  -0.478  -6.661
  251   HD23  LEU  38          HD23      LEU  38   5.589  -1.086  -6.209
  252    H    GLY  39           HN       GLY  39   2.618  -0.560  -3.082
  253    HA2  GLY  39           HA2      GLY  39   2.293   1.538  -5.092
  254    HA3  GLY  39           HA1      GLY  39   1.154   0.245  -4.747
  255    H    CYS  40           HN       CYS  40   0.974   0.603  -1.942
  256    HA   CYS  40           HA       CYS  40  -0.903   2.770  -1.883
  257    HB2  CYS  40           HB2      CYS  40  -1.019   0.498  -0.638
  258    HB3  CYS  40           HB1      CYS  40   0.026   1.271   0.550
  259    H    ALA  41           HN       ALA  41   2.071   2.059  -0.049
  260    HA   ALA  41           HA       ALA  41   2.200   4.511   1.301
  261    HB1  ALA  41           HB1      ALA  41   3.644   2.177   1.330
  262    HB2  ALA  41           HB2      ALA  41   4.020   3.632   2.253
  263    HB3  ALA  41           HB3      ALA  41   4.804   3.346   0.700
  264    H    ALA  42           HN       ALA  42   4.538   5.725   0.932
  265    HA   ALA  42           HA       ALA  42   5.624   7.309  -0.281
  266    HB1  ALA  42           HB1      ALA  42   4.932   5.414  -2.514
  267    HB2  ALA  42           HB2      ALA  42   6.461   5.559  -1.649
  268    HB3  ALA  42           HB3      ALA  42   5.936   6.847  -2.733
  269    H    ALA  43           HN       ALA  43   3.361   6.570  -2.895
  270    HA   ALA  43           HA       ALA  43   1.881   7.892  -4.016
  271    HB1  ALA  43           HB1      ALA  43   1.075   9.147  -1.431
  272    HB2  ALA  43           HB2      ALA  43   0.806   7.423  -1.686
  273    HB3  ALA  43           HB3      ALA  43   0.074   8.600  -2.776
  274    HA   PRO  44           HA       PRO  44   4.697  11.658  -3.479
  275    HB2  PRO  44           HB2      PRO  44   5.968  11.451  -5.872
  276    HB3  PRO  44           HB1      PRO  44   6.559  10.678  -4.396
  277    HG2  PRO  44           HG2      PRO  44   4.983   9.498  -6.650
  278    HG3  PRO  44           HG1      PRO  44   6.376   8.822  -5.786
  279    HD2  PRO  44           HD2      PRO  44   3.837   8.064  -5.251
  280    HD3  PRO  44           HD1      PRO  44   5.090   8.134  -3.996
  281    HA   PRO  45           HA       PRO  45   1.943  14.218  -5.797
  282    HB2  PRO  45           HB2      PRO  45   4.240  15.994  -6.372
  283    HB3  PRO  45           HB1      PRO  45   2.730  16.345  -5.527
  284    HG2  PRO  45           HG2      PRO  45   5.043  16.119  -4.203
  285    HG3  PRO  45           HG1      PRO  45   3.517  15.541  -3.508
  286    HD2  PRO  45           HD2      PRO  45   5.733  13.984  -4.779
  287    HD3  PRO  45           HD1      PRO  45   4.744  13.587  -3.358
  288    H    ALA  46           HN       ALA  46   5.116  14.577  -7.389
  289    HA   ALA  46           HA       ALA  46   3.876  13.640  -9.892
  290    HB1  ALA  46           HB1      ALA  46   5.708  15.343 -10.855
  291    HB2  ALA  46           HB2      ALA  46   5.324  16.154  -9.337
  292    HB3  ALA  46           HB3      ALA  46   4.045  15.812 -10.501
  293    HA   PRO  47           HA       PRO  47   7.718  11.198  -9.054
  294    HB2  PRO  47           HB2      PRO  47   6.661   8.764  -9.503
  295    HB3  PRO  47           HB1      PRO  47   6.481   9.589  -7.950
  296    HG2  PRO  47           HG2      PRO  47   4.535   9.369 -10.215
  297    HG3  PRO  47           HG1      PRO  47   4.246   9.210  -8.472
  298    HD2  PRO  47           HD2      PRO  47   3.717  11.486  -9.883
  299    HD3  PRO  47           HD1      PRO  47   4.134  11.479  -8.158
  300    H    PHE  48           HN       PHE  48   8.309   9.074 -10.564
  301    HA   PHE  48           HA       PHE  48   7.719   9.709 -13.353
  302    HB2  PHE  48           HB2      PHE  48  10.147  10.452 -12.075
  303    HB3  PHE  48           HB1      PHE  48  10.516   9.130 -13.176
  304    HD1  PHE  48           HD2      PHE  48   8.586  12.321 -13.112
  305    HD2  PHE  48           HD1      PHE  48  11.021   9.646 -15.353
  306    HE1  PHE  48           HE2      PHE  48   8.573  13.898 -15.000
  307    HE2  PHE  48           HE1      PHE  48  11.012  11.219 -17.246
  308    HZ   PHE  48           HZ       PHE  48   9.787  13.348 -17.071
  309    H    ARG  49           HN       ARG  49   6.988   7.865 -14.164
  310    HA   ARG  49           HA       ARG  49   6.788   5.667 -14.710
  311    HB2  ARG  49           HB2      ARG  49   9.696   5.924 -14.096
  312    HB3  ARG  49           HB1      ARG  49   9.027   4.308 -14.280
  313    HG2  ARG  49           HG2      ARG  49   8.010   5.422 -16.478
  314    HG3  ARG  49           HG1      ARG  49   9.445   6.431 -16.292
  315    HD2  ARG  49           HD2      ARG  49   9.931   3.565 -15.933
  316    HD3  ARG  49           HD1      ARG  49   9.375   4.008 -17.547
  317    HE   ARG  49           HE       ARG  49  11.946   4.472 -16.465
  318   HH11  ARG  49          HH11      ARG  49   9.526   5.954 -18.497
  319   HH12  ARG  49          HH12      ARG  49  10.674   6.890 -19.396
  320   HH21  ARG  49          HH21      ARG  49  13.457   5.703 -17.644
  321   HH22  ARG  49          HH22      ARG  49  12.905   6.747 -18.911
  322    H    LEU  50           HN       LEU  50   5.311   5.661 -12.833
  323    HA   LEU  50           HA       LEU  50   6.126   4.717 -10.296
  324    HB2  LEU  50           HB2      LEU  50   3.500   4.953 -11.712
  325    HB3  LEU  50           HB1      LEU  50   3.591   4.073 -10.197
  326    HG   LEU  50           HG       LEU  50   4.620   6.887 -10.413
  327   HD11  LEU  50          HD11      LEU  50   1.803   5.938 -10.223
  328   HD12  LEU  50          HD12      LEU  50   2.470   7.334 -11.070
  329   HD13  LEU  50          HD13      LEU  50   2.291   7.370  -9.316
  330   HD21  LEU  50          HD21      LEU  50   4.257   6.910  -8.032
  331   HD22  LEU  50          HD22      LEU  50   5.223   5.496  -8.456
  332   HD23  LEU  50          HD23      LEU  50   3.506   5.315  -8.095
  333    H    LEU  51           HN       LEU  51   6.314   2.708  -9.463
  334    HA   LEU  51           HA       LEU  51   6.602   0.453  -9.391
  335    HB2  LEU  51           HB2      LEU  51   4.398   0.287 -11.434
  336    HB3  LEU  51           HB1      LEU  51   4.851  -0.918 -10.243
  337    HG   LEU  51           HG       LEU  51   4.003   1.695  -9.156
  338   HD11  LEU  51          HD11      LEU  51   2.485   0.879 -11.202
  339   HD12  LEU  51          HD12      LEU  51   1.828   1.668  -9.768
  340   HD13  LEU  51          HD13      LEU  51   1.775  -0.090  -9.911
  341   HD21  LEU  51          HD21      LEU  51   2.804  -0.858  -8.305
  342   HD22  LEU  51          HD22      LEU  51   3.465   0.465  -7.346
  343   HD23  LEU  51          HD23      LEU  51   4.547  -0.713  -8.087
  344    H    TRP  52           HN       TRP  52   6.775  -1.588 -10.957
  345    HA   TRP  52           HA       TRP  52   7.482  -1.386 -13.593
  346    HB2  TRP  52           HB2      TRP  52  10.093  -1.545 -13.190
  347    HB3  TRP  52           HB1      TRP  52   9.292   0.005 -13.409
  348    HD1  TRP  52           HD1      TRP  52  11.173   1.278 -12.019
  349    HE1  TRP  52           HE1      TRP  52  11.652   1.443  -9.497
  350    HE3  TRP  52           HE3      TRP  52   8.294  -2.614 -10.389
  351    HZ2  TRP  52           HZ2      TRP  52  10.910   0.099  -7.128
  352    HZ3  TRP  52           HZ3      TRP  52   8.236  -3.113  -7.980
  353    HH2  TRP  52           HH2      TRP  52   9.517  -1.782  -6.384
  354    HA   PRO  53           HA       PRO  53   7.370  -5.575 -11.420
  355    HB2  PRO  53           HB2      PRO  53   5.677  -6.013 -13.830
  356    HB3  PRO  53           HB1      PRO  53   5.436  -6.567 -12.170
  357    HG2  PRO  53           HG2      PRO  53   4.000  -4.551 -13.149
  358    HG3  PRO  53           HG1      PRO  53   4.581  -4.525 -11.473
  359    HD2  PRO  53           HD2      PRO  53   5.600  -3.045 -13.857
  360    HD3  PRO  53           HD1      PRO  53   5.490  -2.522 -12.164