*HEADER    BLOOD CLOTTING, HYDROLASE               19-AUG-03   1Q7J              
*TITLE     STRUCTURAL ANALYSIS OF INTEGRIN ALPHA IIB BETA 3-                     
*TITLE    2 DISINTEGRIN WITH THE AKGDWN MOTIF                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEMORRHAGIC PROTEIN-RHODOSTOMIN;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DISINTEGRIN RHODOSTOMIN;                                   
*COMPND   5 SYNONYM: DISINTEGRIN KISTRIN, PLATELET AGGREGATION                   
*COMPND   6 ACTIVATION INHIBITOR;                                                
*COMPND   7 EC: 3.4.24.-;                                                        
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CALLOSELASMA RHODOSTOMA;                        
*SOURCE   3 ORGANISM_COMMON: MALAYAN PIT VIPER;                                  
*SOURCE   4 GENE: RHOD;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: FUNGI;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: X-33;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PPICZALPHAA                               
*KEYWDS    DISINTEGRIN, INTEGRIN, NMR, RHODOSTOMIN                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    W.J.CHUANG, C.Y.CHEN, J.H.SHIU, Y.C.CHEN                              
*REVDAT   1   21-SEP-04 1Q7J    0                                                

assign ( resid 62 and name hn ) ( resid 61 and name ha ) 1.80 0.00 3.20
assign ( resid 64 and name hn ) ( resid 63 and name ha ) 1.80 0.00 1.00
!assign ( resid 68 and name hn ) ( resid 67 and name ha ) 1.80 0.00 1.00
assign ( resid 68 and name hn ) ( resid 67 and name ha ) 1.80 0.00 3.20
assign ( resid 25 and name hn ) ( resid 24 and name ha2 ) 1.80 0.00 3.20
assign ( resid 29 and name hn ) ( resid 28 and name ha2 ) 1.80 0.00 3.20
assign ( resid 31 and name hn ) ( resid 30 and name ha2 ) 1.80 0.00 1.00
assign ( resid 43 and name hn ) ( resid 42 and name ha2 ) 1.80 0.00 3.20
assign ( resid 25 and name hn ) ( resid 24 and name ha1 ) 1.80 0.00 3.20
assign ( resid 29 and name hn ) ( resid 28 and name ha1 ) 1.80 0.00 3.20
assign ( resid 31 and name hn ) ( resid 30 and name ha1 ) 1.80 0.00 1.00
assign ( resid 2 and name hn ) ( resid 1 and name ha* ) 1.80 0.00 1.00
assign ( resid 51 and name hn ) ( resid 50 and name ha1 ) 1.80 0.00 2.00
assign ( resid 51 and name hn ) ( resid 50 and name ha2 ) 1.80 0.00 2.00
assign ( resid 43 and name hn ) ( resid 42 and name ha1 ) 1.80 0.00 3.20

!remote (i-i+5~~~~~~~~)

 assign ( resid 5 and name hn ) ( resid 20 and name hn ) 2.50 0.00 3.50
 assign ( resid 5 and name hn ) ( resid 21 and name hn ) 2.50 0.00 3.50 
 assign ( resid 6 and name hn ) ( resid 21 and name hn ) 2.50 0.00 3.50
 assign ( resid 15 and name hn ) ( resid 22 and name hn ) 1.80 0.00 3.20
 assign ( resid 20 and name hn ) ( resid 15 and name hn ) 2.50 0.00 3.50
!assign ( resid 22 and name hn ) ( resid 13 and name hn ) 2.50 0.00 3.50
 assign ( resid 22 and name hn ) ( resid 14 and name hn ) 2.50 0.00 3.50
 assign ( resid 26 and name hn ) ( resid 38 and name hn ) 2.50 0.00 3.50
 assign ( resid 27 and name hn ) ( resid 36 and name hn ) 2.50 0.00 3.50
 assign ( resid 27 and name hn ) ( resid 38 and name hn ) 2.50 0.00 3.50
 assign ( resid 33 and name hn ) ( resid 39 and name hn ) 2.50 0.00 3.50
 assign ( resid 34 and name hn ) ( resid 39 and name hn ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 26 and name hn ) 2.50 0.00 3.50
!assign ( resid 41 and name hn ) ( resid 59 and name hn ) 1.80 0.00 1.00
 assign ( resid 42 and name hn ) ( resid 57 and name hn ) 2.50 0.00 3.50
 assign ( resid 43 and name hn ) ( resid 56 and name hn ) 2.50 0.00 3.50
 assign ( resid 43 and name hn ) ( resid 57 and name hn ) 1.80 0.00 3.20
!assign ( resid 45 and name hn ) ( resid 56 and name hn ) 2.50 0.00 3.50
 assign ( resid 48 and name hn ) ( resid 55 and name hn ) 2.50 0.00 3.50
 assign ( resid 48 and name hn ) ( resid 54 and name ha ) 1.80 0.00 3.20
 assign ( resid 48 and name hn ) ( resid 54 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 48 and name hn ) ( resid 54 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 53 and name hb1 ) ( resid 48 and name hb* ) 2.50 0.00 4.50
 assign ( resid 53 and name hb2 ) ( resid 48 and name hb* ) 2.50 0.00 4.50
 assign ( resid 55 and name hn ) ( resid 46 and name hn ) 2.50 0.00 3.50
 assign ( resid 7 and name hn ) ( resid 29 and name hg2 ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 26 and name hg2 ) 1.80 0.00 3.20 
 assign ( resid 38 and name hn ) ( resid 26 and name hg1 ) 1.80 0.00 3.20
 assign ( resid 58 and name hn ) ( resid 65 and name hg* ) 2.50 0.00 4.50
 assign ( resid 13 and name hn ) ( resid 25 and name hb* ) 2.50 0.00 4.50 
 assign ( resid 27 and name hn ) ( resid 21 and name hg ) 1.80 0.00 3.20  
 assign ( resid 28 and name hn ) ( resid 21 and name hg ) 2.50 0.00 3.50
 assign ( resid 29 and name hn ) ( resid 21 and name hg ) 2.50 0.00 3.50  
!assign ( resid 5 and name hn ) ( resid 21 and name hd2* ) 2.50 0.00 4.50 
 assign ( resid 6 and name hn ) ( resid 21 and name hd2* ) 2.50 0.00 4.50
 assign ( resid 13 and name hn ) ( resid 21 and name hd2* ) 2.50 0.00 4.50
 assign ( resid 14 and name hn ) ( resid 21 and name hd2* ) 2.50 0.00 4.50
 assign ( resid 15 and name hn ) ( resid 21 and name hd2* ) 2.50 0.00 4.50
 assign ( resid 27 and name hn ) ( resid 21 and name hd2* ) 1.80 0.00 4.20
 assign ( resid 29 and name hn ) ( resid 21 and name hd2* ) 2.50 0.00 4.00
 assign ( resid 44 and name hn ) ( resid 56 and name hd2 ) 2.50 0.00 3.50
!assign ( resid 5 and name hn ) ( resid 21 and name hd1* ) 2.50 0.00 4.50
 assign ( resid 27 and name hn ) ( resid 21 and name hd1* ) 1.80 0.00 4.20
 assign ( resid 28 and name hn ) ( resid 21 and name hd1* ) 1.80 0.00 4.20
 assign ( resid 29 and name hn ) ( resid 21 and name hd1* ) 2.50 0.00 4.50
 assign ( resid 58 and name hn ) ( resid 65 and name hd1 ) 2.50 0.00 3.50
 assign ( resid 46 and name hn ) ( resid 31 and name hd* ) 2.50 0.00 4.50
!assign ( resid 54 and name hn ) ( resid 44 and name hd* ) 2.50 0.00 4.50
 assign ( resid 62 and name hn ) ( resid 27 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 62 and name hn ) ( resid 27 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 64 and name hn ) ( resid 31 and name hd* ) 1.80 0.00 5.60
 assign ( resid 5 and name hn ) ( resid 19 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 5 and name hn ) ( resid 20 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 6 and name hn ) ( resid 19 and name hb2 ) 2.50 0.00 3.50 
 assign ( resid 22 and name hn ) ( resid 14 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 25 and name hn ) ( resid 36 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 26 and name hn ) ( resid 36 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 26 and name hn ) ( resid 38 and name hb2 ) 2.50 0.00 3.50  
 assign ( resid 28 and name hn ) ( resid 13 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 45 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 63 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 64 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 32 and name hn ) ( resid 64 and name hb2 ) 2.50 0.00 3.50
!assign ( resid 37 and name hn ) ( resid 26 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 26 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 38 and name hn ) ( resid 26 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 39 and name hn ) ( resid 32 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 39 and name hn ) ( resid 33 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 41 and name hn ) ( resid 57 and name hb2 ) 2.50 0.00 3.50 
 assign ( resid 42 and name hn ) ( resid 56 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 43 and name hn ) ( resid 57 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 45 and name hn ) ( resid 56 and name hb* ) 1.80 0.00 4.20 
 assign ( resid 61 and name hn ) ( resid 38 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 64 and name hn ) ( resid 31 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 67 and name hn ) ( resid 66 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 5 and name hn ) ( resid 19 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 5 and name hn ) ( resid 20 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 6 and name hn ) ( resid 19 and name hb1 ) 2.50 0.00 3.50  
 assign ( resid 7 and name hn ) ( resid 29 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 22 and name hn ) ( resid 14 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 25 and name hn ) ( resid 36 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 26 and name hn ) ( resid 36 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 27 and name hn ) ( resid 36 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 31 and name hn ) ( resid 45 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 63 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 64 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 32 and name hn ) ( resid 64 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 33 and name hn ) ( resid 62 and name hb* ) 1.80 0.00 4.20
 assign ( resid 37 and name hn ) ( resid 26 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 43 and name hn ) ( resid 57 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 45 and name hn ) ( resid 56 and name hg* ) 1.80 0.00 4.20
!assign ( resid 58 and name hn ) ( resid 65 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 61 and name hn ) ( resid 38 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 64 and name hn ) ( resid 31 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 15 and name hn ) ( resid 21 and name hb* ) 2.50 0.00 4.50
 assign ( resid 20 and name hn ) ( resid 5 and name hb* ) 2.50 0.00 4.50
 assign ( resid 20 and name hn ) ( resid 14 and name hb* ) 2.50 0.00 4.50
 assign ( resid 20 and name hn ) ( resid 15 and name hb* ) 1.80 0.00 4.20
 assign ( resid 21 and name hn ) ( resid 5 and name hb* ) 1.80 0.00 4.20
 assign ( resid 27 and name hn ) ( resid 21 and name hb* ) 2.50 0.00 4.50
!assign ( resid 27 and name hn ) ( resid 62 and name hb* ) 2.50 0.00 4.50
 assign ( resid 28 and name hn ) ( resid 21 and name hb* ) 2.50 0.00 4.50
 assign ( resid 28 and name hn ) ( resid 62 and name hb* ) 1.80 0.00 4.20
 assign ( resid 29 and name hn ) ( resid 62 and name hb* ) 1.80 0.00 4.20
 assign ( resid 46 and name hn ) ( resid 54 and name hb1 ) 2.50 0.00 4.50
 assign ( resid 46 and name hn ) ( resid 54 and name hb2 ) 2.50 0.00 4.50
 assign ( resid 46 and name hn ) ( resid 55 and name hb2 ) 1.80 0.00 4.20
 assign ( resid 59 and name hn ) ( resid 41 and name hb* ) 1.80 0.00 4.20
 assign ( resid 60 and name hn ) ( resid 41 and name hb* ) 2.50 0.00 4.50
!assign ( resid 68 and name hn ) ( resid 54 and name hb* ) 2.50 0.00 4.50
 assign ( resid 13 and name hn ) ( resid 28 and name ha2 ) 2.50 0.00 3.50 
!assign ( resid 33 and name hn ) ( resid 28 and name ha* ) 2.50 0.00 4.50
 assign ( resid 57 and name hn ) ( resid 42 and name ha* ) 2.50 0.00 4.50
 assign ( resid 5 and name hn ) ( resid 19 and name ha ) 2.50 0.00 3.50  
 assign ( resid 6 and name hn ) ( resid 19 and name ha ) 2.50 0.00 4.50  
 assign ( resid 14 and name hn ) ( resid 21 and name ha ) 2.50 0.00 3.50 
!assign ( resid 20 and name hn ) ( resid 5 and name ha ) 1.80 0.0 3.20
 assign ( resid 20 and name hn ) ( resid 14 and name ha ) 2.50 0.00 3.50
 assign ( resid 21 and name hn ) ( resid 14 and name ha ) 2.50 0.00 3.50
 assign ( resid 22 and name hn ) ( resid 14 and name ha ) 1.80 0.00 1.00 
 assign ( resid 26 and name hn ) ( resid 37 and name ha ) 1.80 0.00 3.20
 assign ( resid 27 and name hn ) ( resid 37 and name ha ) 1.80 0.00 3.20
!assign ( resid 28 and name hn ) ( resid 21 and name ha ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 64 and name ha ) 2.50 0.00 3.50
 assign ( resid 32 and name hn ) ( resid 63 and name ha ) 1.80 0.00 3.20
 assign ( resid 34 and name hn ) ( resid 39 and name ha ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 25 and name ha ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 26 and name ha ) 2.50 0.00 3.50 
!assign ( resid 38 and name hn ) ( resid 27 and name ha ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 33 and name ha ) 2.50 0.00 3.50
 assign ( resid 39 and name hn ) ( resid 33 and name ha ) 1.80 0.00 3.20
 assign ( resid 43 and name hn ) ( resid 57 and name ha ) 1.80 0.00 3.20
 assign ( resid 44 and name hn ) ( resid 56 and name ha ) 2.50 0.00 3.50
 assign ( resid 45 and name hn ) ( resid 56 and name ha ) 1.80 0.00 3.20
 assign ( resid 46 and name hn ) ( resid 54 and name ha ) 2.50 0.00 3.50
 assign ( resid 46 and name hn ) ( resid 55 and name ha ) 2.50 0.00 3.50 
 assign ( resid 46 and name hn ) ( resid 56 and name ha ) 2.50 0.00 3.50
 assign ( resid 55 and name hn ) ( resid 44 and name ha ) 2.50 0.00 3.50
 assign ( resid 55 and name hn ) ( resid 46 and name hb* ) 2.50 0.00 4.50
 assign ( resid 55 and name hn ) ( resid 48 and name hb* ) 2.50 0.00 3.50
 assign ( resid 55 and name hn ) ( resid 44 and name hg1* ) 2.50 0.00 4.00 
 assign ( resid 55 and name hn ) ( resid 44 and name hd1* ) 2.50 0.00 4.00
 assign ( resid 55 and name hn ) ( resid 44 and name hg* ) 2.50 0.00 4.00
 assign ( resid 53 and name hn ) ( resid 48 and name hb* ) 2.50 0.00 4.00
 assign ( resid 56 and name hn ) ( resid 44 and name ha ) 2.50 0.00 3.50
 assign ( resid 57 and name hn ) ( resid 41 and name ha ) 2.50 0.00 3.50
 assign ( resid 57 and name hn ) ( resid 44 and name ha ) 1.80 0.00 3.20
 assign ( resid 58 and name hn ) ( resid 41 and name ha ) 2.50 0.00 3.50
 assign ( resid 58 and name hn ) ( resid 64 and name ha ) 2.50 0.00 3.50
 assign ( resid 60 and name hn ) ( resid 41 and name ha ) 2.50 0.00 3.50
 assign ( resid 64 and name hn ) ( resid 31 and name ha ) 2.50 0.00 3.50
!assign ( resid 64 and name hn ) ( resid 41 and name ha ) 2.50 0.00 3.50
!assign ( resid 67 and name hn ) ( resid 55 and name ha ) 2.50 0.00 3.50
 assign ( resid 28 and name hn ) ( resid 21 and name hd2* ) 1.80 0.00 4.20
 assign ( resid 3 and name ha ) ( resid 20 and name hd* ) 1.80 0 4.20
 assign ( resid 3 and name ha ) ( resid 20 and name hg* ) 1.80 0 2.00 
 assign ( resid 4 and name ha ) ( resid 19 and name ha ) 2.50 0 3.50
 assign ( resid 4 and name ha ) ( resid 19 and name hb1 ) 1.80 0 3.20
 assign ( resid 4 and name ha ) ( resid 19 and name hb2 ) 1.80 0 3.20
 assign ( resid 4 and name ha ) ( resid 20 and name hb1 ) 2.50 0 4.50
 assign ( resid 4 and name ha ) ( resid 20 and name hb2 ) 1.80 0 3.20
 assign ( resid 4 and name ha ) ( resid 20 and name hg* ) 1.80 0 3.20 
 assign ( resid 4 and name hb1 ) ( resid 19 and name hb2 ) 1.80 0 3.20
 assign ( resid 5 and name ha ) ( resid 20 and name hb1 ) 2.50 0 3.50 
 assign ( resid 5 and name ha ) ( resid 21 and name hd2* ) 2.5 0 4.5
!assign ( resid 5 and name ha ) ( resid 21 and name hd1* ) 2.5 0 4.5
 assign ( resid 5 and name hb* ) ( resid 20 and name hb1 ) 1.80 0 2.00 
 assign ( resid 5 and name hb* ) ( resid 21 and name hg ) 2.50 0 4.50
 assign ( resid 5 and name hb* ) ( resid 21 and name hd1* ) 1.80 0 5.20
 assign ( resid 5 and name hb* ) ( resid 21 and name hd2* ) 1.80 0 5.20
 assign ( resid 6 and name ha ) ( resid 28 and name ha1 ) 2.50 0 3.50
 assign ( resid 6 and name ha ) ( resid 28 and name ha2 ) 2.50 0 4.50
 assign ( resid 6 and name ha ) ( resid 14 and name hb* ) 2.50 0 4.50
 assign ( resid 6 and name ha ) ( resid 29 and name hb1 ) 1.80 0 3.20
 assign ( resid 6 and name ha ) ( resid 29 and name hg* ) 1.80 0 4.20
 assign ( resid 6 and name hb2 ) ( resid 21 and name hd2* ) 2.50 0 4.50
!assign ( resid 7 and name ha ) ( resid 19 and name hb2 ) 2.50 0 3.50
 assign ( resid 9 and name ha ) ( resid 16 and name ha ) 1.80 0 3.20  
 assign ( resid 9 and name ha ) ( resid 14 and name hb* ) 2.50 0 4.50 
 assign ( resid 9 and name ha ) ( resid 16 and name hb* ) 1.80 0 4.20 
 assign ( resid 9 and name hb1 ) ( resid 16 and name hb* ) 1.80 0 4.20
 assign ( resid 13 and name ha ) ( resid 36 and name hb1 ) 2.50 0 3.50
 assign ( resid 13 and name ha ) ( resid 21 and name hg ) 2.5 0 3.5
 assign ( resid 13 and name ha ) ( resid 21 and name hb* ) 2.50 0 4.50
 assign ( resid 13 and name ha ) ( resid 21 and name hd1* ) 2.50 0 4.50 
 assign ( resid 13 and name ha ) ( resid 21 and name hd2* ) 1.80 0 4.20
 assign ( resid 13 and name hb1 ) ( resid 29 and name hb1 ) 2.50 0 3.50 
!assign ( resid 13 and name hb1 ) ( resid 29 and name hb2 ) 2.50 0 3.50
 assign ( resid 13 and name hb1 ) ( resid 29 and name hg* ) 2.50 0 4.50
 assign ( resid 13 and name hb1 ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 13 and name hb1 ) ( resid 21 and name hd2* ) 1.80 0 4.20
 assign ( resid 13 and name hb2 ) ( resid 25 and name hb* ) 1.80 0 4.20
 assign ( resid 14 and name ha ) ( resid 22 and name ha ) 1.80 0 3.20  
 assign ( resid 14 and name ha ) ( resid 21 and name ha ) 1.80 0 3.20
 assign ( resid 14 and name ha ) ( resid 6 and name hb1 ) 2.50 0 3.50
 assign ( resid 14 and name ha ) ( resid 22 and name hb* ) 1.80 0 4.20
 assign ( resid 14 and name ha ) ( resid 21 and name hg ) 1.80 0 3.20
 assign ( resid 14 and name ha ) ( resid 21 and name hb* ) 1.80 0 4.20
 assign ( resid 14 and name ha ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 14 and name ha ) ( resid 21 and name hd2* ) 1.80 0 4.20
 assign ( resid 14 and name hb* ) ( resid 21 and name hg ) 2.50 0 4.50
 assign ( resid 14 and name hb* ) ( resid 21 and name hd2* ) 2.50 0 5.50
 assign ( resid 15 and name hb2 ) ( resid 20 and name hb* ) 1.80 0 4.20
 assign ( resid 15 and name hb2 ) ( resid 20 and name hg* ) 2.50 0 4.50
 assign ( resid 15 and name hb2 ) ( resid 21 and name hb* ) 2.50 0 4.50
 assign ( resid 16 and name ha ) ( resid 9 and name hb1 ) 1.80 0 3.20
 assign ( resid 19 and name ha ) ( resid 4 and name hb1 ) 1.80 0 3.20
 assign ( resid 19 and name hb1 ) ( resid 4 and name hb1 ) 1.80 0 3.20
!assign ( resid 19 and name ha ) ( resid 14 and name hb* ) 1.80 0 4.20
 assign ( resid 19 and name hb2 ) ( resid 4 and name hb2 ) 1.80 0 3.20
 assign ( resid 20 and name ha ) ( resid 4 and name hb1 ) 2.50 0 4.50 
 assign ( resid 20 and name ha ) ( resid 5 and name hb* ) 1.80 0 3.20 
 assign ( resid 21 and name ha ) ( resid 15 and name hb1 ) 2.50 0 3.50
 assign ( resid 21 and name ha ) ( resid 15 and name hb2 ) 2.50 0 3.50 
 assign ( resid 21 and name ha ) ( resid 14 and name hb* ) 2.50 0 4.50
 assign ( resid 25 and name ha ) ( resid 36 and name hb1 ) 1.80 0 3.20
 assign ( resid 25 and name ha ) ( resid 36 and name hb2 ) 1.80 0 3.20 
 assign ( resid 25 and name ha ) ( resid 37 and name he* ) 1.80 0 4.20 
!assign ( resid 26 and name ha ) ( resid 21 and name hb* ) 2.50 0 4.50 
 assign ( resid 26 and name ha ) ( resid 21 and name hg ) 2.50 0 3.50
 assign ( resid 27 and name ha ) ( resid 21 and name ha ) 2.50 0 4.00
 assign ( resid 27 and name ha ) ( resid 33 and name hb1 ) 2.50 0 3.50
!assign ( resid 27 and name ha ) ( resid 57 and name hb2 ) 2.50 0 3.50
 assign ( resid 27 and name ha ) ( resid 62 and name hb* ) 1.80 0 4.20
 assign ( resid 27 and name ha ) ( resid 21 and name hb* ) 1.80 0 4.20
 assign ( resid 27 and name ha ) ( resid 21 and name hd1* ) 1.80 0 3.20  
 assign ( resid 27 and name ha ) ( resid 21 and name hd2* ) 1.80 0 2.00  
 assign ( resid 27 and name hb1 ) ( resid 33 and name hb2 ) 1.80 0 3.20
 assign ( resid 27 and name hb1 ) ( resid 62 and name hb* ) 1.80 0 2.00
 assign ( resid 27 and name hb1 ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 27 and name hb1 ) ( resid 21 and name hd2* ) 2.50 0 4.50
 assign ( resid 27 and name hb2 ) ( resid 62 and name hb* ) 1.80 0 2.00
 assign ( resid 27 and name hb2 ) ( resid 21 and name hd1* ) 1.80 0 4.20 
 assign ( resid 27 and name hb2 ) ( resid 21 and name hd2* ) 1.80 0 4.20
 assign ( resid 28 and name ha1 ) ( resid 13 and name hb2 ) 1.80 0 3.20
 assign ( resid 28 and name ha1 ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 28 and name ha1 ) ( resid 21 and name hd2* ) 1.80 0 4.20
 assign ( resid 28 and name ha2 ) ( resid 13 and name hb1 ) 1.80 0 3.20
 assign ( resid 28 and name ha2 ) ( resid 5 and name hb* ) 2.50 0 4.50  
 assign ( resid 28 and name ha2 ) ( resid 13 and name hb2 ) 1.80 0 3.20
 assign ( resid 28 and name ha2 ) ( resid 21 and name hg ) 2.50 0 3.50
 assign ( resid 28 and name ha2 ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 28 and name ha2 ) ( resid 21 and name hd2* ) 1.80 0 4.20
 assign ( resid 30 and name ha1 ) ( resid 62 and name hb* ) 1.80 0 2.00
 assign ( resid 30 and name ha2 ) ( resid 62 and name hb* ) 1.80 0 4.20
 assign ( resid 31 and name ha ) ( resid 64 and name hb2 ) 2.50 0 3.50
!assign ( resid 31 and name ha ) ( resid 47 and name hd* ) 2.50 0 4.50
 assign ( resid 32 and name ha ) ( resid 62 and name ha ) 1.80 0 3.20
 assign ( resid 32 and name ha ) ( resid 39 and name hb1 ) 1.80 0 3.20
 assign ( resid 32 and name ha ) ( resid 39 and name hb2 ) 1.80 0 3.20
 assign ( resid 32 and name ha ) ( resid 43 and name he* ) 2.50 0 4.50
 assign ( resid 32 and name ha ) ( resid 57 and name hb2 ) 2.50 0 3.50
!assign ( resid 32 and name ha ) ( resid 60 and name hg* ) 2.50 0 4.50
 assign ( resid 32 and name hb2 ) ( resid 62 and name hb* ) 1.80 0 4.20 
 assign ( resid 32 and name hb2 ) ( resid 43 and name hg1 ) 2.50 0 3.50
 assign ( resid 33 and name ha ) ( resid 38 and name ha ) 1.80 0 3.20
 assign ( resid 33 and name ha ) ( resid 62 and name ha ) 2.50 0 3.50
 assign ( resid 33 and name ha ) ( resid 39 and name ha ) 2.50 0 3.50 
 assign ( resid 33 and name ha ) ( resid 27 and name hb1 ) 2.50 0 3.50
 assign ( resid 33 and name ha ) ( resid 27 and name hb2 ) 2.50 0 3.50
 assign ( resid 33 and name ha ) ( resid 39 and name hb2 ) 2.50 0 3.50
!assign ( resid 33 and name ha ) ( resid 57 and name hb1 ) 2.50 0 3.50
!assign ( resid 33 and name ha ) ( resid 57 and name hb2 ) 2.50 0 3.50
 assign ( resid 36 and name hb1 ) ( resid 13 and name hb1 ) 1.80 0 3.20
 assign ( resid 36 and name hb1 ) ( resid 13 and name hb2 ) 2.50 0 3.50
 assign ( resid 36 and name hb1 ) ( resid 25 and name hb* ) 1.80 0 2.00
 assign ( resid 36 and name hb1 ) ( resid 21 and name hd2* ) 2.50 0 4.50
 assign ( resid 36 and name hb2 ) ( resid 25 and name hb* ) 1.80 0 2.00
!assign ( resid 36 and name hb2 ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 36 and name hb2 ) ( resid 21 and name hd2* ) 2.50 0 4.50
 assign ( resid 37 and name ha ) ( resid 26 and name ha ) 1.80 0 3.20  
 assign ( resid 37 and name ha ) ( resid 26 and name hb1 ) 1.80 0 3.20
 assign ( resid 37 and name ha ) ( resid 26 and name hb2 ) 1.80 0 3.20
 assign ( resid 38 and name ha ) ( resid 33 and name ha ) 1.80 0 3.20
 assign ( resid 38 and name ha ) ( resid 26 and name hb1 ) 2.50 0 3.50 
 assign ( resid 38 and name ha ) ( resid 26 and name hb2 ) 2.50 0 3.50
 assign ( resid 38 and name hb2 ) ( resid 60 and name hg* ) 2.50 0 4.50
 assign ( resid 39 and name ha ) ( resid 34 and name hg* ) 1.80 0 4.20
 assign ( resid 39 and name ha ) ( resid 34 and name hb1 ) 2.50 0 3.50
 assign ( resid 39 and name ha ) ( resid 34 and name hb2 ) 1.80 0 3.20
!assign ( resid 39 and name ha ) ( resid 62 and name hb* ) 1.80 0 4.20
 assign ( resid 39 and name hb2 ) ( resid 57 and name hb2 ) 1.80 0 3.20
 assign ( resid 39 and name hb2 ) ( resid 32 and name hb2 ) 1.80 0 3.20
 assign ( resid 40 and name ha ) ( resid 59 and name ha1 ) 1.80 0 3.20 
 assign ( resid 41 and name ha ) ( resid 57 and name hb2 ) 1.80 0 3.20
 assign ( resid 42 and name ha1 ) ( resid 56 and name hd1 ) 1.80 0 3.20
 assign ( resid 42 and name ha1 ) ( resid 56 and name hd2 ) 1.80 0 3.20
 assign ( resid 42 and name ha2 ) ( resid 56 and name hb1 ) 1.80 0 3.20
 assign ( resid 42 and name ha2 ) ( resid 56 and name hb2 ) 1.80 0 3.20
 assign ( resid 43 and name ha ) ( resid 57 and name hb2 ) 2.50 0 3.50 
 assign ( resid 44 and name ha ) ( resid 56 and name hd1 ) 1.80 0 3.20
 assign ( resid 44 and name ha ) ( resid 54 and name hb1 ) 2.50 0 3.50
 assign ( resid 44 and name ha ) ( resid 54 and name hb2 ) 2.50 0 3.50
 assign ( resid 45 and name ha ) ( resid 31 and name ha ) 2.50 0 4.50
 assign ( resid 45 and name ha ) ( resid 64 and name hb1 ) 1.80 0 3.20
 assign ( resid 45 and name ha ) ( resid 64 and name hb2 ) 1.80 0 3.20
 assign ( resid 45 and name ha ) ( resid 31 and name hg ) 2.50 0 3.50
 assign ( resid 45 and name ha ) ( resid 31 and name hb1 ) 1.80 0 3.20
 assign ( resid 45 and name ha ) ( resid 31 and name hb2 ) 1.80 0 3.20
 assign ( resid 45 and name ha ) ( resid 31 and name hd* ) 1.80 0 5.60
 assign ( resid 45 and name hb1 ) ( resid 64 and name hb2 ) 1.80 0 3.20
 assign ( resid 45 and name hb1 ) ( resid 31 and name hd* ) 1.80 0 5.60
 assign ( resid 46 and name hd* ) ( resid 55 and name hb1 ) 2.50 0 3.50
 assign ( resid 46 and name hd* ) ( resid 31 and name hd* ) 2.50 0 5.90
 assign ( resid 46 and name hd* ) ( resid 55 and name hb2 ) 2.50 0 3.50
 assign ( resid 47 and name ha ) ( resid 54 and name hb2 ) 2.50 0 3.50
 assign ( resid 47 and name ha ) ( resid 54 and name hb1 ) 1.80 0 3.70
 assign ( resid 52 and name hd1 ) ( resid 68 and name hb1 ) 2.50 0 3.50
 assign ( resid 52 and name hd1 ) ( resid 68 and name hb2 ) 2.50 0 3.50
 assign ( resid 52 and name hz2 ) ( resid 68 and name hb1 ) 2.50 0 4.50
 assign ( resid 52 and name hz2 ) ( resid 68 and name hb2 ) 2.50 0 4.50
 assign ( resid 54 and name ha ) ( resid 48 and name ha ) 1.80 0 3.20
 assign ( resid 54 and name ha ) ( resid 48 and name hb* ) 1.80 0 3.20
 assign ( resid 54 and name ha ) ( resid 47 and name ha ) 2.50 0 4.00
 !assign ( resid 54 and name ha ) ( resid 47 and name hb ) 2.50 0 3.50
 !assign ( resid 54 and name ha ) ( resid 47 and name hg11 ) 2.50 0 3.50
 !assign ( resid 54 and name ha ) ( resid 47 and name hg12 ) 2.50 0 3.50
 assign ( resid 54 and name ha ) ( resid 44 and name hd* ) 1.80 0 4.20
 !assign ( resid 54 and name ha ) ( resid 47 and name hd* ) 2.50 0 4.50
 assign ( resid 54 and name ha ) ( resid 44 and name hg1* ) 2.50 0 4.50
 assign ( resid 54 and name hb1 ) ( resid 44 and name hb* ) 2.50 0 3.50
 assign ( resid 54 and name hb1 ) ( resid 44 and name hg1* ) 2.50 0 3.50
 assign ( resid 54 and name hb2 ) ( resid 44 and name hg1* ) 2.50 0 3.50
 assign ( resid 54 and name hb1 ) ( resid 44 and name hb* ) 2.50 0 3.50
 assign ( resid 54 and name hb2 ) ( resid 48 and name hb* ) 2.50 0 4.50
 assign ( resid 54 and name hb1 ) ( resid 44 and name hd* ) 1.80 0 2.00
 assign ( resid 54 and name hb2 ) ( resid 44 and name hd* ) 1.80 0 2.00
!assign ( resid 55 and name ha ) ( resid 44 and name hd* ) 2.50 0 4.50
 assign ( resid 55 and name ha ) ( resid 66 and name ha ) 2.50 0 4.50  
 assign ( resid 55 and name ha ) ( resid 46 and name hb* ) 1.80 0 4.20
 assign ( resid 55 and name hb1 ) ( resid 46 and name hb* ) 1.80 0 4.20
 assign ( resid 55 and name hb2 ) ( resid 46 and name hb* ) 1.80 0 4.20
!assign ( resid 55 and name hb1 ) ( resid 44 and name hd* ) 2.50 0 4.50
 assign ( resid 56 and name ha ) ( resid 42 and name ha1 ) 2.50 0 3.50
 assign ( resid 56 and name ha ) ( resid 42 and name ha2 ) 2.50 0 3.50
 assign ( resid 56 and name ha ) ( resid 44 and name ha ) 1.80 0 1.00
 assign ( resid 56 and name ha ) ( resid 41 and name ha ) 2.50 0 3.50  
!assign ( resid 56 and name ha ) ( resid 45 and name hb2 ) 2.50 0 3.50
 assign ( resid 56 and name ha ) ( resid 44 and name hg2* ) 1.80 0 4.20
 assign ( resid 56 and name ha ) ( resid 44 and name hd* ) 1.80 0 4.20
 assign ( resid 56 and name hd1 ) ( resid 44 and name hd* ) 1.80 0 4.20
 assign ( resid 57 and name ha ) ( resid 64 and name ha ) 1.80 0 3.20
 assign ( resid 57 and name ha ) ( resid 65 and name hd1 ) 1.80 0 3.20
 assign ( resid 57 and name ha ) ( resid 65 and name hd2 ) 1.80 0 3.20
 assign ( resid 57 and name ha ) ( resid 45 and name hb1 ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 45 and name hb2 ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 65 and name hg1 ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 65 and name hg2 ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 43 and name hg1 ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 41 and name hb* ) 2.50 0 4.50
 assign ( resid 57 and name hb1 ) ( resid 43 and name hg1 ) 1.80 0 3.20
!assign ( resid 57 and name hb1 ) ( resid 31 and name hd* ) 1.80 0 4.20
 assign ( resid 57 and name hb1 ) ( resid 41 and name hb* ) 2.50 0 4.50 
 assign ( resid 57 and name hb2 ) ( resid 43 and name hb* ) 1.80 0 4.20
 assign ( resid 57 and name hb2 ) ( resid 43 and name hg1 ) 1.80 0 3.20
 assign ( resid 57 and name hb2 ) ( resid 43 and name hg2 ) 1.80 0 3.20
 assign ( resid 57 and name hb2 ) ( resid 41 and name hb* ) 2.50 0 4.50
 assign ( resid 58 and name hb) ( resid 41 and name hb* ) 1.80 0 4.20
 assign ( resid 59 and name ha1 ) ( resid 41 and name ha ) 1.80 0 3.20
 assign ( resid 59 and name ha1 ) ( resid 41 and name hb* ) 1.80 0 2.00 
 assign ( resid 62 and name ha ) ( resid 33 and name ha ) 2.50 0 3.50
 assign ( resid 62 and name ha ) ( resid 32 and name ha ) 1.80 0 3.20
 assign ( resid 62 and name ha ) ( resid 32 and name hb1 ) 1.80 0 3.20
 assign ( resid 62 and name ha ) ( resid 32 and name hb2 ) 1.80 0 3.20
!assign ( resid 63 and name ha ) ( resid 31 and name ha ) 2.50 0 3.50
!assign ( resid 61 and name ha ) ( resid 31 and name hd* ) 2.50 0 4.50
!assign ( resid 61 and name ha ) ( resid 31 and name hb1 ) 2.50 0 3.50
 assign ( resid 63 and name ha ) ( resid 31 and name hg ) 1.80 0 3.20
 assign ( resid 63 and name hb1 ) ( resid 31 and name hb1 ) 2.50 0 3.50
 assign ( resid 63 and name hb1 ) ( resid 31 and name hd* ) 2.50 0 5.90
 assign ( resid 64 and name ha ) ( resid 45 and name hb1 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 45 and name hb2 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 31 and name hb2 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 58 and name hg2* ) 2.50 0 4.50
 assign ( resid 64 and name ha ) ( resid 31 and name hd* ) 1.80 0 5.60
 assign ( resid 64 and name ha ) ( resid 57 and name ha ) 1.80 0 3.20
 assign ( resid 64 and name hb2 ) ( resid 31 and name hg ) 1.80 0 3.20
 assign ( resid 64 and name hb2 ) ( resid 31 and name hb1 ) 1.80 0 3.20
 assign ( resid 64 and name hb2 ) ( resid 31 and name hb2 ) 1.80 0 3.20
 assign ( resid 64 and name hb2 ) ( resid 31 and name hd* ) 1.80 0 3.40
 assign ( resid 65 and name hd1 ) ( resid 58 and name hg2* ) 1.80 0 4.20
 assign ( resid 65 and name hd2 ) ( resid 45 and name hb2 ) 2.50 0 3.50
 assign ( resid 65 and name hd2 ) ( resid 58 and name hg2 ) 1.80 0 4.20
 assign ( resid 65 and name hd1 ) ( resid 45 and name hb1 ) 2.50 0 3.50
 assign ( resid 65 and name hd1 ) ( resid 45 and name hb2 ) 2.50 0 3.50
 assign ( resid 26 and name he21 ) ( resid 38 and name he* ) 2.50 0 5.90
 assign ( resid 38 and name hd* ) ( resid 26 and name ha ) 2.50 0 4.50 
 assign ( resid 38 and name hd* ) ( resid 26 and name hg1 ) 2.50 0 5.90
 assign ( resid 38 and name hd* ) ( resid 26 and name hg2 ) 1.80 0 5.60
 assign ( resid 38 and name hd* ) ( resid 26 and name hb1 ) 1.80 0 5.60
 assign ( resid 38 and name hd* ) ( resid 26 and name hb2 ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 26 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name he* ) ( resid 26 and name he21 ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 26 and name hg2 ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 26 and name hb1 ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 26 and name hb2 ) 1.80 0 5.60
 assign ( resid 38 and name hd* ) ( resid 27 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name hd* ) ( resid 27 and name ha ) 2.50 0 4.50 
 assign ( resid 38 and name hd* ) ( resid 27 and name hb1 ) 1.80 0 5.60
 assign ( resid 38 and name hd* ) ( resid 27 and name hb2 ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 27 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name he* ) ( resid 27 and name hb1 ) 1.80 0 3.40
 assign ( resid 38 and name hd* ) ( resid 33 and name ha ) 1.80 0 5.60
 assign ( resid 38 and name hd* ) ( resid 33 and name hb2 ) 2.50 0 5.90
 assign ( resid 38 and name he* ) ( resid 33 and name hb2 ) 2.50 0 5.90
 assign ( resid 38 and name hd* ) ( resid 60 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name hd* ) ( resid 60 and name ha ) 1.80 0 3.40 
 assign ( resid 38 and name he* ) ( resid 60 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name hd* ) ( resid 61 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name hd* ) ( resid 61 and name hb2 ) 2.50 0 5.90
 assign ( resid 38 and name he* ) ( resid 61 and name ha ) 2.50 0 4.50
 assign ( resid 38 and name he* ) ( resid 61 and name hb2 ) 2.50 0 5.90
 assign ( resid 38 and name hd* ) ( resid 62 and name hn ) 1.80 0 5.60
 assign ( resid 38 and name hd* ) ( resid 62 and name ha ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 62 and name hn ) 1.80 0 5.60
 assign ( resid 38 and name he* ) ( resid 62 and name ha ) 1.80 0 5.60
 assign ( resid 67 and name hd* ) ( resid 53 and name hb2 ) 2.50 0 5.90
 assign ( resid 67 and name hd* ) ( resid 53 and name hb1 ) 2.50 0 5.90
 assign ( resid 67 and name he* ) ( resid 53 and name hb2 ) 2.50 0 5.90
 assign ( resid 67 and name he* ) ( resid 53 and name hb1 ) 2.50 0 5.90
!assign ( resid 67 and name hd* ) ( resid 56 and name hn ) 2.50 0 5.90
 assign ( resid 11 and name hd22 ) ( resid 6 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 6 and name hb2 ) 1.80 0 3.20
 assign ( resid 11 and name hd21 ) ( resid 6 and name ha ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 28 and name ha1 ) 1.80 0 3.20
 assign ( resid 11 and name hd22 ) ( resid 28 and name ha2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 28 and name ha2 ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 29 and name hb1 ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 29 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 29 and name hg1 ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 29 and name hg2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 29 and name hg1 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 29 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 29 and name hb1 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 29 and name hg2 ) 2.50 0 3.50
 assign ( resid 26 and name he22 ) ( resid 38 and name hn ) 2.50 0 3.50



!intermediate NOEs  (i-i+1~~~i-i+4)

 assign ( resid 4 and name hn ) ( resid 6 and name hn ) 2.50 0.00 3.50
 assign ( resid 8 and name hn ) ( resid 11 and name hn ) 2.50 0.00 3.50
 assign ( resid 13 and name hn ) ( resid 11 and name hn ) 2.50 0.00 3.50
 assign ( resid 16 and name hn ) ( resid 18 and name hn ) 2.50 0.00 3.50
 assign ( resid 18 and name hn ) ( resid 20 and name hn ) 2.50 0.00 3.50
 assign ( resid 19 and name hn ) ( resid 15 and name hn ) 2.50 0.00 3.50
 assign ( resid 19 and name hn ) ( resid 16 and name hn ) 2.50 0.00 3.50
 assign ( resid 25 and name hn ) ( resid 22 and name hn ) 2.50 0.00 3.50
 assign ( resid 31 and name hn ) ( resid 33 and name hn ) 2.50 0.00 3.50
 assign ( resid 34 and name hn ) ( resid 36 and name hn ) 2.50 0.00 3.50
 assign ( resid 34 and name hn ) ( resid 37 and name hn ) 1.80 0.00 3.20
 assign ( resid 34 and name hn ) ( resid 38 and name hn ) 2.50 0.00 3.50
 assign ( resid 35 and name hn ) ( resid 37 and name hn ) 2.50 0.00 3.50
 assign ( resid 40 and name hn ) ( resid 43 and name hn ) 2.50 0.00 3.50
 assign ( resid 43 and name hn ) ( resid 41 and name hn ) 2.50 0.00 3.50
 assign ( resid 46 and name hn ) ( resid 44 and name hn ) 2.50 0.00 3.50
 assign ( resid 50 and name hn ) ( resid 52 and name hn ) 2.50 0.00 3.50
 assign ( resid 58 and name hn ) ( resid 60 and name hn ) 2.50 0.00 3.50
 assign ( resid 58 and name hn ) ( resid 61 and name hn ) 2.50 0.00 3.50
 assign ( resid 59 and name hn ) ( resid 61 and name hn ) 1.80 0.00 3.20
 assign ( resid 45 and name hn ) ( resid 44 and name hg2* ) 2.50 0.00 4.50
 !assign ( resid 49 and name hn ) ( resid 47 and name hg2* ) 1.80 0.00 4.20
 assign ( resid 27 and name hn ) ( resid 26 and name hg2 ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 37 and name hg2 ) 2.50 0.00 3.50
 assign ( resid 44 and name hn ) ( resid 43 and name hg2 ) 1.80 0.00 3.20
 assign ( resid 13 and name hn ) ( resid 12 and name hg* ) 1.80 0.00 4.20
 assign ( resid 27 and name hn ) ( resid 26 and name hg1 ) 1.80 0.00 3.20
 assign ( resid 38 and name hn ) ( resid 37 and name hg1 ) 2.50 0.00 3.50
 assign ( resid 44 and name hn ) ( resid 43 and name hg1 ) 1.80 0.00 3.20
 assign ( resid 4 and name hn ) ( resid 2 and name hg* ) 2.50 0.00 4.50
 assign ( resid 15 and name hn ) ( resid 18 and name hg2* ) 2.50 0.00 4.50 
 assign ( resid 17 and name hn ) ( resid 18 and name hg2* ) 1.80 0.00 4.20
 assign ( resid 19 and name hn ) ( resid 18 and name hg2* ) 1.80 0.00 4.20
 assign ( resid 21 and name hn ) ( resid 20 and name hg* ) 1.80 0.00 4.20
 assign ( resid 24 and name hn ) ( resid 23 and name hg* ) 2.50 0.00 4.50
 assign ( resid 30 and name hn ) ( resid 29 and name hg* ) 2.50 0.00 4.50
 assign ( resid 36 and name hn ) ( resid 35 and name hg* ) 2.50 0.00 4.50
 assign ( resid 37 and name hn ) ( resid 34 and name hg* ) 1.80 0.00 4.20
 assign ( resid 47 and name hn ) ( resid 46 and name hg1 ) 1.80 0.00 4.20
 assign ( resid 47 and name hg11 ) ( resid 48 and name hb* ) 1.80 0.00 3.70
 !assign ( resid 47 and name hn ) ( resid 43 and name hn ) 1.80 0.00 4.20
 assign ( resid 47 and name hn ) ( resid 46 and name hb* ) 1.80 0.00 4.20
 assign ( resid 47 and name hn ) ( resid 46 and name hg2 ) 1.80 0.00 4.20
 assign ( resid 48 and name hn ) ( resid 46 and name ha ) 2.50 0.00 4.50
 assign ( resid 48 and name hn ) ( resid 47 and name hb ) 1.80 0.00 3.70
 assign ( resid 48 and name hn ) ( resid 47 and name hg11 ) 1.80 0.00 4.20
 assign ( resid 48 and name hn ) ( resid 47 and name hg2* ) 1.80 0.00 3.70
 assign ( resid 48 and name hn ) ( resid 47 and name hd* ) 1.80 0.00 4.20
 assign ( resid 50 and name hn ) ( resid 49 and name hg* ) 2.50 0.00 4.50
 assign ( resid 51 and name hn ) ( resid 48 and name hb* ) 2.50 0.00 3.50
 assign ( resid 51 and name hn ) ( resid 52 and name he3 ) 2.50 0.00 3.50
 assign ( resid 51 and name hn ) ( resid 52 and name hz3 ) 2.50 0.00 3.50
 assign ( resid 52 and name hn ) ( resid 48 and name hb* ) 1.80 0.00 3.70
 assign ( resid 53 and name hn ) ( resid 52 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 53 and name hn ) ( resid 52 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 54 and name hn ) ( resid 53 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 54 and name hn ) ( resid 53 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 59 and name hn ) ( resid 58 and name hg2* ) 2.50 0.00 4.50
 assign ( resid 60 and name hn ) ( resid 58 and name hg2* ) 2.50 0.00 4.50
 assign ( resid 61 and name hn ) ( resid 58 and name hg2* ) 2.50 0.00 4.50
 assign ( resid 66 and name hn ) ( resid 65 and name hg* ) 2.50 0.00 4.50
 assign ( resid 67 and name hn ) ( resid 66 and name hg* ) 1.80 0.00 4.20
 assign ( resid 68 and name hn ) ( resid 66 and name hg* ) 2.50 0.00 4.50
!assign ( resid 25 and name hn ) ( resid 21 and name hg ) 2.50 0.00 3.50
 assign ( resid 32 and name hn ) ( resid 31 and name hg ) 2.50 0.00 3.50
 assign ( resid 22 and name hn ) ( resid 21 and name hd2* ) 1.80 0.00 4.20
 assign ( resid 57 and name hn ) ( resid 56 and name hd2 ) 2.50 0.00 3.50
 assign ( resid 22 and name hn ) ( resid 21 and name hd1* ) 1.80 0.00 4.20
 assign ( resid 13 and name hn ) ( resid 12 and name hd1 ) 1.80 0.00 3.20
 assign ( resid 13 and name hn ) ( resid 12 and name hd2 ) 1.80 0.00 3.20
 assign ( resid 57 and name hn ) ( resid 56 and name hd1 ) 1.80 0.00 3.20
 assign ( resid 32 and name hn ) ( resid 31 and name hd* ) 2.50 0.00 4.50
 assign ( resid 33 and name hn ) ( resid 31 and name hd* ) 2.50 0.00 4.50
 assign ( resid 38 and name hn ) ( resid 37 and name hd* ) 2.50 0.00 4.50
 assign ( resid 41 and name hn ) ( resid 40 and name hd* ) 1.80 0.00 4.20
 assign ( resid 45 and name hn ) ( resid 44 and name hd* ) 1.80 0.00 4.20
 assign ( resid 46 and name hn ) ( resid 44 and name hd* ) 1.80 0.00 3.20
 assign ( resid 50 and name hn ) ( resid 49 and name hd* ) 2.50 0.00 4.50
 assign ( resid 4 and name hn ) ( resid 3 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 5 and name hn ) ( resid 4 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 6 and name hn ) ( resid 4 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 7 and name hn ) ( resid 6 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 8 and name hn ) ( resid 6 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 8 and name hn ) ( resid 11 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 10 and name hn ) ( resid 8 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 10 and name hn ) ( resid 11 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 11 and name hn ) ( resid 10 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 14 and name hn ) ( resid 13 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 15 and name hn ) ( resid 14 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 16 and name hn ) ( resid 15 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 17 and name hn ) ( resid 15 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 18 and name hn ) ( resid 15 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 19 and name hn ) ( resid 15 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 20 and name hn ) ( resid 19 and name hb2 ) 2.50 0.00 3.50
!assign ( resid 21 and name hn ) ( resid 20 and name hb2 ) 1.80 0.00 1.00
 assign ( resid 28 and name hn ) ( resid 27 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 28 and name hn ) ( resid 29 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 29 and name hn ) ( resid 27 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 29 and name hn ) ( resid 33 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 30 and name hn ) ( resid 29 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 30 and name hn ) ( resid 33 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 32 and name hn ) ( resid 31 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 34 and name hn ) ( resid 33 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 34 and name hn ) ( resid 37 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 35 and name hn ) ( resid 34 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 36 and name hn ) ( resid 35 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 35 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 36 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 37 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 39 and name hn ) ( resid 38 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 40 and name hn ) ( resid 39 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 56 and name hn ) ( resid 55 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 57 and name hn ) ( resid 56 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 58 and name hn ) ( resid 57 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 60 and name hn ) ( resid 61 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 61 and name hn ) ( resid 60 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 62 and name hn ) ( resid 61 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 63 and name hn ) ( resid 61 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 68 and name hn ) ( resid 66 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 68 and name hn ) ( resid 67 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 4 and name hn ) ( resid 3 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 5 and name hn ) ( resid 4 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 6 and name hn ) ( resid 4 and name hb1 ) 1.80 0.00 3.20  
 assign ( resid 7 and name hn ) ( resid 6 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 8 and name hn ) ( resid 6 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 8 and name hn ) ( resid 7 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 8 and name hn ) ( resid 11 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 10 and name hn ) ( resid 8 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 10 and name hn ) ( resid 11 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 11 and name hn ) ( resid 10 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 13 and name hn ) ( resid 12 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 13 and name hn ) ( resid 12 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 13 and name hn ) ( resid 14 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 14 and name hn ) ( resid 12 and name hg* ) 2.50 0.00 4.50 
 assign ( resid 14 and name hn ) ( resid 13 and name hb1 ) 1.80 0.00 3.20
!assign ( resid 14 and name hn ) ( resid 15 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 15 and name hn ) ( resid 14 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 16 and name hn ) ( resid 15 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 18 and name hn ) ( resid 15 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 19 and name hn ) ( resid 15 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 20 and name hn ) ( resid 19 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 21 and name hn ) ( resid 20 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 28 and name hn ) ( resid 27 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 28 and name hn ) ( resid 29 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 29 and name hn ) ( resid 27 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 29 and name hn ) ( resid 33 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 32 and name hn ) ( resid 31 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 32 and name hn ) ( resid 33 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 34 and name hn ) ( resid 33 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 35 and name hn ) ( resid 34 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 36 and name hn ) ( resid 35 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 34 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 35 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 36 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 38 and name hn ) ( resid 37 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 39 and name hn ) ( resid 38 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 40 and name hn ) ( resid 39 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 41 and name hn ) ( resid 40 and name hb* ) 1.80 0.00 2.00
 assign ( resid 55 and name hn ) ( resid 54 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 55 and name hn ) ( resid 54 and name hb2 ) 1.80 0.00 3.20
 assign ( resid 56 and name hn ) ( resid 55 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 57 and name hn ) ( resid 56 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 58 and name hn ) ( resid 57 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 60 and name hn ) ( resid 61 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 61 and name hn ) ( resid 60 and name hb1 ) 1.80 0.00 3.20
!assign ( resid 62 and name hn ) ( resid 61 and name hb1 ) 1.80 0.00 1.00
 assign ( resid 63 and name hn ) ( resid 61 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 64 and name hn ) ( resid 63 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 67 and name hn ) ( resid 66 and name hb1 ) 1.80 0.00 3.20
 assign ( resid 68 and name hn ) ( resid 66 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 6 and name hn ) ( resid 5 and name hb* ) 1.80 0.00 4.20
 assign ( resid 11 and name hn ) ( resid 8 and name hb* ) 1.80 0.00 4.20
 assign ( resid 18 and name hn ) ( resid 17 and name hb* ) 1.80 0.00 2.00
 assign ( resid 22 and name hn ) ( resid 21 and name hb* ) 1.80 0.00 2.00
 assign ( resid 24 and name hn ) ( resid 23 and name hb* ) 1.80 0.00 4.20
 assign ( resid 25 and name hn ) ( resid 21 and name hb* ) 1.80 0.00 4.20
 assign ( resid 25 and name hn ) ( resid 23 and name hb* ) 2.50 0.00 4.50
 assign ( resid 26 and name hn ) ( resid 25 and name hb* ) 1.80 0.00 4.20
 assign ( resid 27 and name hn ) ( resid 26 and name hb* ) 1.80 0.00 4.20
 assign ( resid 42 and name hn ) ( resid 41 and name hb* ) 1.80 0.00 4.20
 assign ( resid 46 and name hn ) ( resid 43 and name hg1 ) 2.50 0.00 4.50
 assign ( resid 46 and name hn ) ( resid 43 and name hg2 ) 2.50 0.00 4.50
 assign ( resid 46 and name hn ) ( resid 45 and name hb1 ) 2.50 0.00 3.50
 assign ( resid 46 and name hn ) ( resid 45 and name hb2 ) 2.50 0.00 3.50
 assign ( resid 49 and name hn ) ( resid 48 and name hb* ) 1.80 0.00 3.70
 assign ( resid 49 and name hn ) ( resid 52 and name hz2 ) 1.80 0.00 3.20
 assign ( resid 49 and name hn ) ( resid 50 and name ha1 ) 2.50 0.00 3.50
 assign ( resid 49 and name hn ) ( resid 50 and name ha2 ) 1.80 0.00 3.20
 assign ( resid 50 and name hn ) ( resid 48 and name ha ) 2.50 0.00 4.50
 assign ( resid 50 and name hn ) ( resid 48 and name hb* ) 2.50 0.00 3.70
 assign ( resid 50 and name hn ) ( resid 49 and name hb1 ) 1.80 0.00 4.203
 assign ( resid 50 and name hn ) ( resid 49 and name hb2 ) 1.80 0.00 4.20
 assign ( resid 52 and name hn ) ( resid 51 and name hb1 ) 2.50 0.00 3.70
 assign ( resid 52 and name hn ) ( resid 51 and name hb2 ) 2.50 0.00 3.70
 assign ( resid 52 and name he1 ) ( resid 53 and name hn ) 2.50 0.00 4.20
 assign ( resid 52 and name he1 ) ( resid 49 and name hn ) 1.80 0.00 3.20
 assign ( resid 52 and name he1 ) ( resid 48 and name ha ) 1.80 0.00 3.20
 assign ( resid 52 and name he1 ) ( resid 48 and name hb* ) 1.80 0.00 3.70
 assign ( resid 52 and name hd1 ) ( resid 48 and name ha ) 1.80 0.00 3.70
 assign ( resid 52 and name hd1 ) ( resid 50 and name ha1 ) 2.50 0.00 4.20
 assign ( resid 52 and name hd1 ) ( resid 51 and name hb1 ) 2.50 0.00 3.20
 assign ( resid 52 and name hd1 ) ( resid 51 and name hb2 ) 2.50 0.00 3.70
 assign ( resid 52 and name hd1 ) ( resid 49 and name hb2 ) 2.50 0.00 3.70
 assign ( resid 52 and name hd1 ) ( resid 49 and name hg* ) 2.50 0.00 4.20
 assign ( resid 52 and name hd1 ) ( resid 48 and name hb* ) 1.80 0.00 3.20
 assign ( resid 52 and name he3 ) ( resid 48 and name hb* ) 2.50 0.00 4.20
 assign ( resid 52 and name he3 ) ( resid 51 and name ha ) 2.50 0.00 4.20
 assign ( resid 52 and name he3 ) ( resid 48 and name hb* ) 2.50 0.00 4.20
 assign ( resid 52 and name he3 ) ( resid 51 and name hb1 ) 2.50 0.00 3.20
 assign ( resid 52 and name he3 ) ( resid 51 and name hb2 ) 2.50 0.00 4.20
 assign ( resid 52 and name he3 ) ( resid 50 and name ha1 ) 2.50 0.00 4.50
 assign ( resid 52 and name hh2 ) ( resid 50 and name ha1 ) 2.50 0.00 3.70
 assign ( resid 52 and name hh2 ) ( resid 50 and name ha2 ) 2.50 0.00 3.20
 assign ( resid 52 and name hh2 ) ( resid 49 and name hb2 ) 2.50 0.00 3.70
 assign ( resid 52 and name hz2 ) ( resid 49 and name ha ) 2.50 0.00 3.20
 assign ( resid 52 and name hz2 ) ( resid 48 and name ha ) 2.50 0.00 4.00
 assign ( resid 52 and name hz2 ) ( resid 50 and name ha1 ) 2.50 0.00 3.70
 assign ( resid 52 and name hz2 ) ( resid 50 and name ha2 ) 2.50 0.00 3.70
 assign ( resid 52 and name hz2 ) ( resid 49 and name hb1 ) 2.50 0.00 3.70
 assign ( resid 52 and name hz2 ) ( resid 49 and name hb2 ) 2.50 0.00 3.70
 assign ( resid 52 and name hz2 ) ( resid 49 and name hg* ) 2.50 0.00 4.50
 assign ( resid 52 and name hz2 ) ( resid 48 and name hb* ) 2.50 0.00 4.50
 assign ( resid 63 and name hn ) ( resid 62 and name hb* ) 1.80 0.00 4.20
 assign ( resid 66 and name hn ) ( resid 65 and name hb* ) 1.80 0.00 4.20
 assign ( resid 66 and name hn ) ( resid 65 and name hb* ) 1.80 0.00 4.20
 assign ( resid 20 and name hn ) ( resid 18 and name hb ) 1.80 0.00 3.20  
 assign ( resid 45 and name hn ) ( resid 44 and name hb ) 1.80 0.00 3.20
 assign ( resid 46 and name hn ) ( resid 44 and name hb ) 2.50 0.00 3.50
 assign ( resid 60 and name hn ) ( resid 58 and name hb ) 1.80 0.00 3.20
 assign ( resid 61 and name hn ) ( resid 58 and name hb ) 2.50 0.00 3.50
!assign ( resid 27 and name hn ) ( resid 28 and name ha2 ) 2.50 0.00 3.50
!assign ( resid 27 and name hn ) ( resid 28 and name ha1 ) 1.80 0.00 3.20
 assign ( resid 61 and name hn ) ( resid 58 and name ha ) 1.80 0.00 3.20 
!assign ( resid 7 and name hn ) ( resid 5 and name ha ) 1.80 0.00 1.00
 assign ( resid 7 and name hn ) ( resid 8 and name ha ) 2.50 0.00 3.50
 assign ( resid 8 and name hn ) ( resid 6 and name ha ) 1.80 0.00 3.20
 assign ( resid 10 and name hn ) ( resid 8 and name ha ) 2.50 0.00 3.50
 assign ( resid 11 and name hn ) ( resid 9 and name ha ) 1.80 0.00 3.20
 assign ( resid 14 and name hn ) ( resid 12 and name ha ) 2.50 0.00 3.50
!assign ( resid 15 and name hn ) ( resid 19 and name ha ) 2.50 0.00 3.50
 assign ( resid 17 and name hn ) ( resid 15 and name ha ) 1.80 0.00 3.20
 assign ( resid 19 and name hn ) ( resid 16 and name ha ) 1.80 0.00 3.20
 assign ( resid 25 and name hn ) ( resid 23 and name ha ) 1.80 0.00 3.20
 assign ( resid 28 and name hn ) ( resid 29 and name ha ) 2.50 0.00 3.50
 assign ( resid 29 and name hn ) ( resid 27 and name ha ) 1.80 0.00 3.20
 assign ( resid 32 and name hn ) ( resid 33 and name ha ) 2.50 0.00 3.50
 assign ( resid 33 and name hn ) ( resid 30 and name ha2 ) 2.50 0.00 3.50
 assign ( resid 33 and name hn ) ( resid 30 and name ha1 ) 1.80 0.00 3.20
 assign ( resid 34 and name hn ) ( resid 35 and name ha ) 2.50 0.00 3.50
!assign ( resid 34 and name hn ) ( resid 36 and name ha ) 2.50 0.00 3.50
 assign ( resid 34 and name hn ) ( resid 38 and name ha ) 2.50 0.00 3.50 
 assign ( resid 36 and name hn ) ( resid 34 and name ha ) 1.80 0.00 3.20
 assign ( resid 37 and name hn ) ( resid 33 and name ha ) 2.50 0.00 3.50
 assign ( resid 37 and name hn ) ( resid 35 and name ha ) 2.50 0.00 3.50
 assign ( resid 39 and name hn ) ( resid 37 and name ha ) 2.50 0.00 3.50
 assign ( resid 43 and name hn ) ( resid 41 and name ha ) 1.80 0.00 3.20
 assign ( resid 43 and name hn ) ( resid 41 and name hb* ) 2.50 0.00 4.50
 assign ( resid 46 and name hn ) ( resid 44 and name ha ) 1.80 0.00 3.20
!assign ( resid 47 and name hn ) ( resid 45 and name ha ) 2.50 0.00 3.50
!assign ( resid 55 and name hn ) ( resid 56 and name ha ) 2.50 0.00 3.50
 assign ( resid 60 and name hn ) ( resid 58 and name ha ) 1.80 0.00 3.20
 assign ( resid 63 and name hn ) ( resid 61 and name ha ) 1.80 0.00 3.20 
 assign ( resid 4 and name ha ) ( resid 3 and name ha ) 2.50 0 3.50
 assign ( resid 6 and name ha ) ( resid 7 and name ha ) 2.50 0 3.50
 assign ( resid 7 and name ha ) ( resid 4 and name hb1 ) 2.50 0 3.50
 assign ( resid 7 and name ha ) ( resid 4 and name hb2 ) 2.50 0 3.50 
!assign ( resid 7 and name ha ) ( resid 6 and name hb1 ) 1.80 0 3.20 
 assign ( resid 8 and name ha ) ( resid 9 and name ha ) 1.80 0 3.20
 assign ( resid 8 and name ha ) ( resid 9 and name hb* ) 1.80 0 4.20
 assign ( resid 8 and name ha ) ( resid 10 and name hb* ) 2.50 0 4.50
 assign ( resid 8 and name hb2 ) ( resid 11 and name hb1 ) 1.80 0 3.20
 assign ( resid 8 and name hb2 ) ( resid 11 and name hb2 ) 1.80 0 3.20
 assign ( resid 8 and name hb2 ) ( resid 10 and name hb* ) 2.50 0 4.50
 assign ( resid 9 and name ha ) ( resid 8 and name ha ) 1.80 0 3.20
 assign ( resid 13 and name ha ) ( resid 14 and name hb* ) 1.80 0 4.20
!assign ( resid 13 and name hb1 ) ( resid 11 and name hb2 ) 2.50 0 3.50
 assign ( resid 14 and name ha ) ( resid 13 and name ha ) 2.50 0 3.50
 assign ( resid 14 and name ha ) ( resid 15 and name ha ) 2.50 0 3.50
 assign ( resid 14 and name ha ) ( resid 15 and name hb1 ) 1.80 0 3.20
 assign ( resid 14 and name ha ) ( resid 15 and name hb2 ) 2.50 0 3.50
 assign ( resid 15 and name ha ) ( resid 14 and name hb* ) 2.50 0 3.50
 assign ( resid 15 and name hb1 ) ( resid 18 and name hg2* ) 1.80 0 4.20
 assign ( resid 15 and name hb2 ) ( resid 18 and name hg2* ) 1.80 0 4.20
 assign ( resid 16 and name ha ) ( resid 14 and name hb* ) 2.50 0 4.50
 assign ( resid 19 and name ha ) ( resid 16 and name ha ) 2.50 0 4.50 
 assign ( resid 20 and name ha ) ( resid 21 and name hd1* ) 2.50 0 4.50 
 assign ( resid 20 and name ha ) ( resid 21 and name hd2* ) 2.50 0 4.50
 assign ( resid 23 and name ha ) ( resid 21 and name hb* ) 2.50 0 4.50
!assign ( resid 23 and name ha ) ( resid 21 and name hd1* ) 2.50 0 4.50
 assign ( resid 23 and name ha ) ( resid 21 and name hd2* ) 2.50 0 4.50
 assign ( resid 23 and name hd2 ) ( resid 22 and name hd1 ) 2.50 0 3.50
 assign ( resid 23 and name hd2 ) ( resid 22 and name hd2 ) 2.50 0 3.50
!assign ( resid 23 and name hd2 ) ( resid 25 and name hb* ) 2.50 0 4.50
 assign ( resid 23 and name hd2 ) ( resid 21 and name hb* ) 1.80 0 4.20
 assign ( resid 24 and name ha2 ) ( resid 25 and name hb* ) 2.50 0 4.50
 assign ( resid 25 and name ha ) ( resid 26 and name hg1 ) 2.50 0 3.50
 assign ( resid 25 and name ha ) ( resid 26 and name ha ) 2.50 0 3.50
 assign ( resid 27 and name ha ) ( resid 28 and name ha2 ) 1.80 0 3.20
 assign ( resid 27 and name hb1 ) ( resid 26 and name hg1 ) 2.50 0 3.50
 assign ( resid 27 and name hb1 ) ( resid 26 and name hb1 ) 2.50 0 3.50
 assign ( resid 27 and name hb1 ) ( resid 26 and name hb2 ) 2.50 0 3.50
 assign ( resid 28 and name ha2 ) ( resid 29 and name hb1 ) 2.50 0 3.50
 assign ( resid 28 and name ha2 ) ( resid 29 and name hb2 ) 2.50 0 3.50
 assign ( resid 28 and name ha2 ) ( resid 29 and name hg* ) 2.50 0 4.50
 assign ( resid 29 and name ha ) ( resid 33 and name hb1 ) 2.50 0 3.50 
 assign ( resid 29 and name ha ) ( resid 33 and name hb2 ) 2.50 0 3.50
 assign ( resid 30 and name ha1 ) ( resid 31 and name hb2 ) 2.50 0 3.50
 assign ( resid 30 and name ha1 ) ( resid 31 and name hd* ) 1.80 0 5.60
 assign ( resid 30 and name ha2 ) ( resid 33 and name hb1 ) 2.50 0 3.50 
 assign ( resid 32 and name ha ) ( resid 31 and name ha ) 2.50 0 3.50
 assign ( resid 32 and name ha ) ( resid 31 and name hd* ) 2.50 0 4.50
 assign ( resid 33 and name ha ) ( resid 34 and name hb1 ) 2.50 0 3.50
 assign ( resid 33 and name ha ) ( resid 34 and name hb2 ) 2.50 0 3.50
 assign ( resid 33 and name ha ) ( resid 34 and name hg* ) 2.50 0 4.50
 assign ( resid 34 and name ha ) ( resid 33 and name ha ) 2.50 0 3.50
 assign ( resid 38 and name ha ) ( resid 37 and name ha ) 2.50 0 3.50
 assign ( resid 38 and name ha ) ( resid 39 and name ha ) 1.80 0 3.20
 assign ( resid 39 and name hb1 ) ( resid 43 and name he* ) 2.50 0 4.50
 assign ( resid 39 and name hb2 ) ( resid 43 and name hd* ) 1.80 0 4.20
 assign ( resid 39 and name hb2 ) ( resid 43 and name hg1 ) 1.80 0 3.20
 assign ( resid 39 and name hb2 ) ( resid 43 and name hg2 ) 2.50 0 3.50
 assign ( resid 40 and name ha ) ( resid 41 and name ha ) 1.80 0 3.20
!assign ( resid 40 and name ha ) ( resid 37 and name he* ) 2.50 0 4.50
 assign ( resid 40 and name ha ) ( resid 38 and name hb2 ) 2.50 0 3.50
 assign ( resid 40 and name ha ) ( resid 41 and name hb* ) 1.80 0 4.20
 assign ( resid 42 and name ha2 ) ( resid 41 and name hb* ) 2.50 0 4.50
 assign ( resid 44 and name ha ) ( resid 42 and name ha2 ) 2.50 0 3.50 
 assign ( resid 44 and name ha ) ( resid 45 and name hb2 ) 2.50 0 3.50
 assign ( resid 45 and name ha ) ( resid 46 and name ha ) 1.80 0 3.20
 assign ( resid 45 and name ha ) ( resid 44 and name ha ) 1.80 0 3.20
 assign ( resid 45 and name ha ) ( resid 43 and name hg1 ) 2.50 0 3.50
 assign ( resid 45 and name ha ) ( resid 43 and name hg2 ) 2.50 0 3.50
 assign ( resid 45 and name ha ) ( resid 44 and name hd* ) 1.80 0 4.20
 assign ( resid 46 and name hn ) ( resid 47 and name ha ) 2.50 0 4.50
 assign ( resid 46 and name hn ) ( resid 44 and name hg1* ) 2.50 0 4.50
 assign ( resid 46 and name ha ) ( resid 44 and name ha ) 1.80 0 4.20
 assign ( resid 46 and name ha ) ( resid 47 and name hg2* ) 1.80 0 4.20
 assign ( resid 46 and name ha ) ( resid 47 and name hd* ) 2.50 0 4.50
 assign ( resid 49 and name ha ) ( resid 47 and name hg2* ) 2.5 0 4.5
 assign ( resid 49 and name ha ) ( resid 47 and name hd* ) 2.50 0 4.50
!assign ( resid 49 and name ha ) ( resid 50 and name ha1 ) 2.50 0 3.50
!assign ( resid 49 and name hd* ) ( resid 47 and name hg2* ) 2.50 0 5.50
!assign ( resid 49 and name hd* ) ( resid 47 and name hd* ) 2.50 0 5.50
!assign ( resid 49 and name hd* ) ( resid 48 and name hb* ) 2.50 0 4.50
!assign ( resid 49 and name hg* ) ( resid 48 and name hb* ) 2.50 0 4.50
!assign ( resid 50 and name ha2 ) ( resid 51 and name hb2 ) 2.50 0 4.50
 assign ( resid 51 and name ha ) ( resid 50 and name ha1 ) 2.50 0 4.50
 !assign ( resid 51 and name ha ) ( resid 48 and name hb* ) 2.50 0 4.50
 !assign ( resid 51 and name hb1 ) ( resid 47 and name hb ) 2.50 0 4.50
 assign ( resid 52 and name ha ) ( resid 48 and name hb* ) 2.50 0 4.00
 assign ( resid 52 and name hb1 ) ( resid 48 and name hb* ) 2.50 0 4.00
 assign ( resid 52 and name hb2 ) ( resid 48 and name hb* ) 2.50 0 4.00
!assign ( resid 54 and name hb1 ) ( resid 56 and name hg* ) 2.50 0 4.50
 assign ( resid 56 and name ha ) ( resid 57 and name ha ) 2.50 0 3.50
 assign ( resid 56 and name ha ) ( resid 57 and name hb2 ) 2.50 0 3.50
!assign ( resid 56 and name ha ) ( resid 54 and name hb1 ) 2.50 0 3.50
!assign ( resid 56 and name ha ) ( resid 54 and name hb2 ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 56 and name ha ) 2.50 0 3.50
 assign ( resid 57 and name ha ) ( resid 58 and name hg2* ) 1.80 0 4.20
 assign ( resid 58 and name hb ) ( resid 60 and name hb* ) 1.80 0 4.20 
 assign ( resid 58 and name hb ) ( resid 60 and name hg* ) 1.80 0 4.20
!assign ( resid 59 and name ha1 ) ( resid 57 and name hb2 ) 1.80 0 3.20
 assign ( resid 59 and name ha1 ) ( resid 60 and name hg* ) 1.80 0 4.20
 assign ( resid 63 and name ha ) ( resid 64 and name hb1 ) 2.50 0 3.50
 assign ( resid 63 and name ha ) ( resid 64 and name hb2 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 65 and name ha ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 65 and name hd1 ) 1.80 0 1.00
 assign ( resid 64 and name ha ) ( resid 65 and name hd2 ) 1.80 0 1.00
 assign ( resid 64 and name ha ) ( resid 63 and name hb1 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 63 and name hb2 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 65 and name hb1 ) 2.50 0 3.50
 assign ( resid 64 and name ha ) ( resid 65 and name hb2 ) 1.80 0 3.20
 assign ( resid 64 and name ha ) ( resid 65 and name hg1 ) 1.80 0 3.20
 assign ( resid 64 and name ha ) ( resid 65 and name hg2 ) 1.80 0 3.20
 assign ( resid 65 and name ha ) ( resid 63 and name hb1 ) 2.50 0 3.50
 assign ( resid 65 and name ha ) ( resid 63 and name hb2 ) 2.50 0 3.50
 assign ( resid 65 and name hd1 ) ( resid 64 and name hb1 ) 2.50 0 3.50
 assign ( resid 65 and name hd1 ) ( resid 64 and name hb2 ) 2.50 0 3.50
 assign ( resid 65 and name ha ) ( resid 64 and name ha ) 2.50 0 3.50
 assign ( resid 65 and name hd2 ) ( resid 64 and name hb1 ) 2.50 0 3.50 
 assign ( resid 65 and name hd2 ) ( resid 64 and name hb2 ) 2.50 0 3.50
 assign ( resid 38 and name hd* ) ( resid 34 and name hn ) 2.50 0 4.50
 assign ( resid 38 and name hd* ) ( resid 37 and name ha ) 2.50 0 4.50
 assign ( resid 67 and name hd* ) ( resid 66 and name ha ) 2.50 0 4.50
 assign ( resid 67 and name hd* ) ( resid 67 and name hn ) 1.80 0 5.60
 assign ( resid 67 and name hd* ) ( resid 68 and name hn ) 1.80 0 5.60
 assign ( resid 11 and name hd22 ) ( resid 8 and name hn ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 8 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 8 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 8 and name hn ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 13 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd22 ) ( resid 13 and name hn ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 13 and name hb2 ) 2.50 0 3.50
 assign ( resid 11 and name hd21 ) ( resid 13 and name hn ) 2.50 0 3.50
!assign ( resid 22 and name hh* ) ( resid 21 and name hb* ) 2.50 0 3.50



!disulfide bonds
assign (resid 4 and name sg) (resid 19 and name sg) 2.02 0.1 0.1
assign (resid 6 and name sg) (resid 14 and name sg) 2.02 0.1 0.1
assign (resid 13 and name sg) (resid 36 and name sg) 2.02 0.1 0.1
assign (resid 27 and name sg) (resid 33 and name sg) 2.02 0.1 0.1
assign (resid 32 and name sg) (resid 57 and name sg) 2.02 0.1 0.1
assign (resid 45 and name sg) (resid 64 and name sg) 2.02 0.1 0.1

!H-bond
!assign ( resid 13 and name hn ) ( resid 22 and name o ) 2.0 0.5 0.5
assign ( resid 22 and name hn ) ( resid 13 and name o ) 2.0 0.5 0.5
assign ( resid 15 and name hn ) ( resid 20 and name o ) 2.0 0.5 0.5
assign ( resid 20 and name hn ) ( resid 15 and name o ) 2.0 0.5 0.5

assign ( resid 34 and name hn ) ( resid 37 and name o ) 2.0 0.5 0.5
assign ( resid 37 and name hn ) ( resid 34 and name o ) 2.0 0.5 0.5
assign ( resid 39 and name hn ) ( resid 32 and name o ) 2.0 0.5 0.5

assign ( resid 45 and name hn ) ( resid 55 and name o ) 2.0 0.5 0.5
assign ( resid 57 and name hn ) ( resid 43 and name o ) 2.0 0.5 0.5
assign ( resid 43 and name hn ) ( resid 57 and name o ) 2.0 0.5 0.5

! intra-residue NOEs

  assign ( resid 24 and name hn ) ( resid 24 and name ha2 ) 1.80 0.00 3.20
  assign ( resid 28 and name hn ) ( resid 28 and name ha2 ) 1.80 0.00 3.20
  assign ( resid 30 and name hn ) ( resid 30 and name ha2 ) 1.80 0.00 1.00
  assign ( resid 42 and name hn ) ( resid 42 and name ha2 ) 1.80 0.00 3.20
  assign ( resid 24 and name hn ) ( resid 24 and name ha1 ) 1.80 0.00 3.20
  assign ( resid 28 and name hn ) ( resid 28 and name ha1 ) 1.80 0.00 3.20
  assign ( resid 30 and name hn ) ( resid 30 and name ha1 ) 1.80 0.00 3.20
  assign ( resid 42 and name hn ) ( resid 42 and name ha1 ) 1.80 0.00 1.00
  assign ( resid 50 and name hn ) ( resid 50 and name ha1 ) 1.80 0.00 1.00
  assign ( resid 50 and name hn ) ( resid 50 and name ha2 ) 1.80 0.00 1.00
  assign ( resid 59 and name hn ) ( resid 59 and name ha* ) 1.80 0.00 1.00
  assign ( resid 4 and name hn ) ( resid 4 and name ha ) 1.80 0.00 3.20
  assign ( resid 5 and name hn ) ( resid 5 and name ha ) 1.80 0.00 3.20
  assign ( resid 6 and name hn ) ( resid 6 and name ha ) 1.80 0.00 3.20
  assign ( resid 7 and name hn ) ( resid 7 and name ha ) 1.80 0.00 3.20
  assign ( resid 8 and name hn ) ( resid 8 and name ha ) 1.80 0.00 3.20
  assign ( resid 10 and name hn ) ( resid 10 and name ha ) 1.80 0.00 3.20
  assign ( resid 11 and name hn ) ( resid 11 and name ha ) 1.80 0.00 1.00
  assign ( resid 13 and name hn ) ( resid 13 and name ha ) 1.80 0.00 3.20
  assign ( resid 14 and name hn ) ( resid 14 and name ha ) 1.80 0.00 3.20
  assign ( resid 15 and name hn ) ( resid 15 and name ha ) 1.80 0.00 3.20
  assign ( resid 16 and name hn ) ( resid 16 and name ha ) 1.80 0.00 1.00
  assign ( resid 18 and name hn ) ( resid 18 and name ha ) 1.80 0.00 3.20
  assign ( resid 19 and name hn ) ( resid 19 and name ha ) 1.80 0.00 1.00
  assign ( resid 20 and name hn ) ( resid 20 and name ha ) 1.80 0.00 3.20
  assign ( resid 21 and name hn ) ( resid 21 and name ha ) 1.80 0.00 3.20
  assign ( resid 25 and name hn ) ( resid 25 and name ha ) 1.80 0.00 1.00
  assign ( resid 27 and name hn ) ( resid 27 and name ha ) 1.80 0.00 1.00
  assign ( resid 29 and name hn ) ( resid 29 and name ha ) 1.80 0.00 3.20
  assign ( resid 31 and name hn ) ( resid 31 and name ha ) 1.80 0.00 3.20
  assign ( resid 32 and name hn ) ( resid 32 and name ha ) 1.80 0.00 3.20
  assign ( resid 33 and name hn ) ( resid 31 and name ha ) 2.50 0.00 3.50
  assign ( resid 33 and name hn ) ( resid 33 and name ha ) 1.80 0.00 3.20
  assign ( resid 34 and name hn ) ( resid 34 and name ha ) 1.80 0.00 3.20
  assign ( resid 35 and name hn ) ( resid 35 and name ha ) 1.80 0.00 1.00
  assign ( resid 36 and name hn ) ( resid 36 and name ha ) 1.80 0.00 1.00
  assign ( resid 37 and name hn ) ( resid 37 and name ha ) 1.80 0.00 3.20
  assign ( resid 38 and name hn ) ( resid 38 and name ha ) 1.80 0.00 3.20
  assign ( resid 39 and name hn ) ( resid 39 and name ha ) 1.80 0.00 3.20
  assign ( resid 40 and name hn ) ( resid 40 and name ha ) 1.80 0.00 1.00
  assign ( resid 41 and name hn ) ( resid 41 and name ha ) 1.80 0.00 3.20
  assign ( resid 43 and name hn ) ( resid 43 and name ha ) 1.80 0.00 1.00
 !assign ( resid 44 and name hn ) ( resid 44 and name ha ) 1.80 0.00 1.00
  assign ( resid 45 and name hn ) ( resid 45 and name ha ) 1.80 0.00 3.20
  assign ( resid 46 and name hn ) ( resid 46 and name ha ) 1.80 0.00 3.20
  assign ( resid 47 and name hn ) ( resid 47 and name ha ) 1.80 0.00 3.20
  assign ( resid 48 and name hn ) ( resid 48 and name ha ) 1.80 0.00 1.00
  assign ( resid 49 and name hn ) ( resid 49 and name ha ) 1.80 0.00 2.00
  assign ( resid 51 and name hn ) ( resid 51 and name ha ) 1.80 0.00 1.00
  assign ( resid 52 and name hn ) ( resid 52 and name ha ) 1.80 0.00 3.20
  assign ( resid 52 and name hn ) ( resid 52 and name he3 ) 2.50 0.00 3.50
  assign ( resid 52 and name hn ) ( resid 52 and name hd1 ) 2.50 0.00 3.50
  assign ( resid 54 and name hn ) ( resid 54 and name ha ) 1.80 0.00 3.20
  assign ( resid 55 and name hn ) ( resid 55 and name ha ) 1.80 0.00 3.20
  assign ( resid 56 and name hn ) ( resid 56 and name ha ) 1.80 0.00 3.20
  assign ( resid 57 and name hn ) ( resid 57 and name ha ) 1.80 0.00 3.20
  assign ( resid 58 and name hn ) ( resid 58 and name ha ) 1.80 0.00 3.20
  assign ( resid 60 and name hn ) ( resid 60 and name ha ) 1.80 0.00 3.20
  assign ( resid 61 and name hn ) ( resid 61 and name ha ) 1.80 0.00 3.20
  assign ( resid 62 and name hn ) ( resid 62 and name ha ) 1.80 0.00 3.20
  assign ( resid 63 and name hn ) ( resid 63 and name ha ) 1.80 0.00 3.20
  assign ( resid 64 and name hn ) ( resid 64 and name ha ) 1.80 0.00 3.20
  assign ( resid 66 and name hn ) ( resid 66 and name ha ) 1.80 0.00 1.00
  assign ( resid 67 and name hn ) ( resid 67 and name ha ) 1.80 0.00 1.00
  assign ( resid 68 and name hn ) ( resid 68 and name ha ) 1.80 0.00 3.20
  assign ( resid 3 and name ha ) ( resid 3 and name hb1 ) 1.80 0 1.00
  assign ( resid 3 and name ha ) ( resid 3 and name hb2 ) 1.80 0 1.00
  assign ( resid 4 and name ha ) ( resid 4 and name hb1 ) 1.80 0 1.00
  assign ( resid 4 and name ha ) ( resid 4 and name hb2 ) 1.80 0 3.20
  assign ( resid 5 and name ha ) ( resid 5 and name hb* ) 1.80 0 3.20
  assign ( resid 6 and name ha ) ( resid 6 and name hb1 ) 1.80 0 1.00
  assign ( resid 6 and name ha ) ( resid 6 and name hb2 ) 1.80 0 3.20
  assign ( resid 7 and name ha ) ( resid 7 and name hb1 ) 1.80 0 1.00
  assign ( resid 7 and name ha ) ( resid 7 and name hb2 ) 1.80 0 1.00
  assign ( resid 8 and name ha ) ( resid 8 and name hb1 ) 1.80 0 1.00
  assign ( resid 8 and name ha ) ( resid 8 and name hb2 ) 1.80 0 1.00
  assign ( resid 9 and name ha ) ( resid 9 and name hb1 ) 1.80 0 1.00
  assign ( resid 10 and name ha ) ( resid 10 and name hb* ) 1.80 0 1.00
  assign ( resid 12 and name ha ) ( resid 12 and name hb1 ) 1.80 0 1.00
  assign ( resid 13 and name ha ) ( resid 13 and name hb1 ) 1.80 0 1.00
  assign ( resid 13 and name ha ) ( resid 13 and name hb2 ) 1.80 0 3.20
  assign ( resid 15 and name ha ) ( resid 15 and name hb1 ) 1.80 0 1.00
  assign ( resid 15 and name ha ) ( resid 15 and name hb2 ) 1.80 0 1.00
  assign ( resid 16 and name ha ) ( resid 16 and name hb* ) 1.80 0 1.00
  assign ( resid 17 and name ha ) ( resid 17 and name hb* ) 1.80 0 1.00
  assign ( resid 18 and name ha ) ( resid 18 and name hb ) 1.80 0 1.00
  assign ( resid 19 and name ha ) ( resid 19 and name hb1 ) 1.80 0 1.00
  assign ( resid 19 and name ha ) ( resid 19 and name hb2 ) 1.80 0 1.00
  assign ( resid 20 and name ha ) ( resid 20 and name hb1 ) 1.80 0 1.00
  assign ( resid 20 and name ha ) ( resid 20 and name hb2 ) 1.80 0 3.20
  assign ( resid 21 and name ha ) ( resid 21 and name hb* ) 1.80 0 4.20
  assign ( resid 23 and name ha ) ( resid 23 and name hb1 ) 1.80 0 1.00
  assign ( resid 23 and name ha ) ( resid 23 and name hb2 ) 1.80 0 1.00
  assign ( resid 25 and name ha ) ( resid 25 and name hb* ) 1.80 0 2.00
  assign ( resid 26 and name ha ) ( resid 26 and name hb1 ) 1.80 0 3.20
  assign ( resid 26 and name ha ) ( resid 26 and name hb2 ) 1.80 0 1.00
  assign ( resid 27 and name ha ) ( resid 27 and name hb1 ) 1.80 0 1.00
  assign ( resid 27 and name ha ) ( resid 27 and name hb2 ) 1.80 0 1.00
  assign ( resid 29 and name ha ) ( resid 29 and name hb1 ) 1.80 0 3.20
  assign ( resid 29 and name ha ) ( resid 29 and name hb2 ) 1.80 0 3.20
  assign ( resid 31 and name ha ) ( resid 31 and name hb1 ) 1.80 0 1.00
  assign ( resid 31 and name ha ) ( resid 31 and name hb2 ) 1.80 0 1.00
  assign ( resid 31 and name ha ) ( resid 31 and name hb1 ) 1.80 0 1.00
  assign ( resid 31 and name ha ) ( resid 31 and name hb2 ) 1.80 0 1.00
  assign ( resid 33 and name ha ) ( resid 33 and name hb1 ) 1.80 0 3.20
  assign ( resid 33 and name ha ) ( resid 33 and name hb2 ) 1.80 0 3.20
  assign ( resid 34 and name ha ) ( resid 34 and name hb1 ) 1.80 0 1.00
  assign ( resid 34 and name ha ) ( resid 34 and name hb2 ) 1.80 0 1.00
  assign ( resid 36 and name hb1 ) ( resid 36 and name hb2 ) 1.80 0 1.00
  assign ( resid 37 and name ha ) ( resid 37 and name hb1 ) 1.80 0 3.20
  assign ( resid 37 and name ha ) ( resid 37 and name hb2 ) 1.80 0 3.20
  assign ( resid 38 and name ha ) ( resid 38 and name hb1 ) 1.80 0 3.20
  assign ( resid 38 and name ha ) ( resid 38 and name hb2 ) 1.80 0 3.20
  assign ( resid 39 and name ha ) ( resid 39 and name hb1 ) 1.80 0 1.00
  assign ( resid 39 and name ha ) ( resid 39 and name hb2 ) 1.80 0 1.00
  assign ( resid 40 and name ha ) ( resid 40 and name hb1 ) 1.80 0 1.00
  assign ( resid 40 and name ha ) ( resid 40 and name hb2 ) 1.80 0 1.00
  assign ( resid 41 and name ha ) ( resid 41 and name hb* ) 1.80 0 1.00
  assign ( resid 43 and name ha ) ( resid 43 and name hb* ) 1.80 0 2.00
  assign ( resid 44 and name ha ) ( resid 44 and name hb ) 1.80 0 1.00
  assign ( resid 45 and name ha ) ( resid 45 and name hb1 ) 1.80 0 1.00
  assign ( resid 45 and name ha ) ( resid 45 and name hb2 ) 1.80 0 1.00
  assign ( resid 46 and name ha ) ( resid 46 and name hb* ) 1.80 0 2.00
  assign ( resid 47 and name ha ) ( resid 47 and name hb ) 1.80 0 1.00
  assign ( resid 48 and name ha ) ( resid 48 and name hb* ) 1.80 0 1.00
  assign ( resid 49 and name ha ) ( resid 49 and name hb1 ) 1.80 0 1.00
  assign ( resid 49 and name ha ) ( resid 49 and name hb2 ) 1.80 0 1.00
  assign ( resid 51 and name ha ) ( resid 51 and name hb1 ) 1.80 0 1.00
  assign ( resid 51 and name ha ) ( resid 51 and name hb2 ) 1.80 0 1.00
  assign ( resid 52 and name ha ) ( resid 52 and name hb1 ) 1.80 0 3.20
  assign ( resid 52 and name ha ) ( resid 52 and name hb2 ) 1.80 0 3.20
  assign ( resid 53 and name ha ) ( resid 53 and name hb1 ) 1.80 0 2.00
  assign ( resid 53 and name ha ) ( resid 53 and name hb2 ) 1.80 0 2.00
  assign ( resid 54 and name ha ) ( resid 54 and name hb1 ) 1.80 0 1.00
  assign ( resid 54 and name ha ) ( resid 54 and name hb2 ) 1.80 0 1.00
  assign ( resid 55 and name ha ) ( resid 55 and name hb1 ) 1.80 0 1.00
  assign ( resid 55 and name ha ) ( resid 55 and name hb2 ) 1.80 0 1.00
  assign ( resid 56 and name ha ) ( resid 56 and name hb1 ) 1.80 0 3.20
  assign ( resid 56 and name ha ) ( resid 56 and name hb2 ) 1.80 0 1.00
  assign ( resid 57 and name ha ) ( resid 57 and name hb1 ) 1.80 0 3.20
  assign ( resid 57 and name ha ) ( resid 57 and name hb2 ) 1.80 0 3.20
  assign ( resid 61 and name ha ) ( resid 61 and name hb2 ) 1.80 0 1.00
  assign ( resid 62 and name ha ) ( resid 62 and name hb* ) 1.80 0 1.00
  assign ( resid 63 and name ha ) ( resid 63 and name hb1 ) 1.80 0 1.00
  assign ( resid 63 and name ha ) ( resid 63 and name hb2 ) 1.80 0 1.00
  assign ( resid 64 and name ha ) ( resid 64 and name hb1 ) 1.80 0 3.20
  assign ( resid 64 and name ha ) ( resid 64 and name hb2 ) 1.80 0 3.20
  assign ( resid 65 and name ha ) ( resid 65 and name hb1 ) 1.80 0 1.00
  assign ( resid 65 and name ha ) ( resid 65 and name hb2 ) 1.80 0 3.20
  assign ( resid 67 and name ha ) ( resid 67 and name hb1 ) 1.80 0 1.00
  assign ( resid 67 and name ha ) ( resid 67 and name hb2 ) 1.80 0 1.00
  assign ( resid 68 and name ha ) ( resid 68 and name hb1 ) 1.80 0 3.20
  assign ( resid 68 and name ha ) ( resid 68 and name hb2 ) 1.80 0 3.20


restraints 
 
  dihedral 

reset
assign (resid 2 and name c) (resid 3 and name n) (resid 3 and name ca) (resid 3 and name c) 1.0 -120.0 60.0 2
assign (resid 3 and name c) (resid 4 and name n) (resid 4 and name ca) (resid 4 and name c) 1.0 -120.0 60.0 2
!assign (resid 4 and name c) (resid 5 and name n) (resid 5 and name ca) (resid 5 and name c) 1.0 -120.0 60.0 2
!assign (resid 5 and name c) (resid 6 and name n) (resid 6 and name ca) (resid 6 and name c) 1.0 -120.0 40.0 2
!assign (resid 8 and name c) (resid 9 and name n) (resid 9 and name ca) (resid 9 and name c) 1.0 -120.0 40.0 2
assign (resid 9 and name c) (resid 10 and name n) (resid 10 and name ca) (resid 10 and name c) 1.0 -120.0 40.0 2
assign (resid 10 and name c) (resid 11 and name n) (resid 11 and name ca) (resid 11 and name c) 1.0 -120.0 60.0 2
!assign (resid 11 and name c) (resid 12 and name n) (resid 12 and name ca) (resid 12 and name c) 1.0 -120.0 60.0 2
!assign (resid 12 and name c) (resid 13 and name n) (resid 13 and name ca) (resid 13 and name c) 1.0 -120.0 60.0 2
!assign (resid 13 and name c) (resid 14 and name n) (resid 14 and name ca) (resid 14 and name c) 1.0 -120.0 60.0 2
!assign (resid 14 and name c) (resid 15 and name n) (resid 15 and name ca) (resid 15 and name c) 1.0 -120.0 60.0 2
assign (resid 15 and name c) (resid 16 and name n) (resid 16 and name ca) (resid 16 and name c) 1.0 -120.0 60.0 2
assign (resid 16 and name c) (resid 17 and name n) (resid 17 and name ca) (resid 17 and name c) 1.0 -120.0 60.0 2
assign (resid 17 and name c) (resid 18 and name n) (resid 18 and name ca) (resid 18 and name c) 1.0 -120.0 60.0 2
!assign (resid 18 and name c) (resid 19 and name n) (resid 19 and name ca) (resid 19 and name c) 1.0 -120.0 60.0 2
assign (resid 19 and name c) (resid 20 and name n) (resid 20 and name ca) (resid 20 and name c) 1.0 -120.0 60.0 2
!assign (resid 20 and name c) (resid 21 and name n) (resid 21 and name ca) (resid 21 and name c) 1.0 -60.0 40.0 2
assign (resid 23 and name c) (resid 24 and name n) (resid 24 and name ca) (resid 24 and name c) 1.0 -120.0 60.0 2
assign (resid 24 and name c) (resid 25 and name n) (resid 25 and name ca) (resid 25 and name c) 1.0 -120.0 60.0 2
assign (resid 25 and name c) (resid 26 and name n) (resid 26 and name ca) (resid 26 and name c) 1.0 -120.0 60.0 2
assign (resid 26 and name c) (resid 27 and name n) (resid 27 and name ca) (resid 27 and name c) 1.0 -120.0 60.0 2
!assign (resid 27 and name c) (resid 28 and name n) (resid 28 and name ca) (resid 28 and name c) 1.0 -120.0 40.0 2
assign (resid 28 and name c) (resid 29 and name n) (resid 29 and name ca) (resid 29 and name c) 1.0 -120.0 60.0 2
assign (resid 29 and name c) (resid 30 and name n) (resid 30 and name ca) (resid 30 and name c) 1.0 -120.0 60.0 2
assign (resid 30 and name c) (resid 31 and name n) (resid 31 and name ca) (resid 31 and name c) 1.0 -120.0 60.0 2
assign (resid 31 and name c) (resid 32 and name n) (resid 32 and name ca) (resid 32 and name c) 1.0 -120.0 40.0 2
assign (resid 32 and name c) (resid 33 and name n) (resid 33 and name ca) (resid 33 and name c) 1.0 -120.0 40.0 2
assign (resid 33 and name c) (resid 34 and name n) (resid 34 and name ca) (resid 34 and name c) 1.0 -120.0 60.0 2
assign (resid 34 and name c) (resid 35 and name n) (resid 35 and name ca) (resid 35 and name c) 1.0 -120.0 60.0 2
!assign (resid 35 and name c) (resid 36 and name n) (resid 36 and name ca) (resid 36 and name c) 1.0 -120.0 60.0 2
assign (resid 36 and name c) (resid 37 and name n) (resid 37 and name ca) (resid 37 and name c) 1.0 -120.0 40.0 2
!assign (resid 37 and name c) (resid 38 and name n) (resid 38 and name ca) (resid 38 and name c) 1.0 -120.0 40.0 2
!assign (resid 38 and name c) (resid 39 and name n) (resid 39 and name ca) (resid 39 and name c) 1.0 -120.0 60.0 2
assign (resid 39 and name c) (resid 40 and name n) (resid 40 and name ca) (resid 40 and name c) 1.0 -60.0 40.0 2
assign (resid 40 and name c) (resid 41 and name n) (resid 41 and name ca) (resid 41 and name c) 1.0 -60.0 40.0 2
!assign (resid 41 and name c) (resid 42 and name n) (resid 42 and name ca) (resid 42 and name c) 1.0 -120.0 40.0 2
assign (resid 42 and name c) (resid 43 and name n) (resid 43 and name ca) (resid 43 and name c) 1.0 -120.0 40.0 2
assign (resid 43 and name c) (resid 44 and name n) (resid 44 and name ca) (resid 44 and name c) 1.0 -120.0 40.0 2
assign (resid 44 and name c) (resid 45 and name n) (resid 45 and name ca) (resid 45 and name c) 1.0 -120.0 40.0 2
assign (resid 45 and name c) (resid 46 and name n) (resid 46 and name ca) (resid 46 and name c) 1.0 -120.0 60.0 2
assign (resid 46 and name c) (resid 47 and name n) (resid 47 and name ca) (resid 47 and name c) 1.0 -120.0 60.0 2
assign (resid 48 and name c) (resid 49 and name n) (resid 49 and name ca) (resid 49 and name c) 1.0 -120.0 60.0 2
assign (resid 49 and name c) (resid 50 and name n) (resid 50 and name ca) (resid 50 and name c) 1.0 -120.0 60.0 2
!assign (resid 51 and name c) (resid 52 and name n) (resid 52 and name ca) (resid 52 and name c) 1.0 -120.0 60.0 2
assign (resid 53 and name c) (resid 54 and name n) (resid 54 and name ca) (resid 54 and name c) 1.0 -120.0 60.0 2
assign (resid 54 and name c) (resid 55 and name n) (resid 55 and name ca) (resid 55 and name c) 1.0 -120.0 40.0 2
!assign (resid 56 and name c) (resid 57 and name n) (resid 57 and name ca) (resid 57 and name c) 1.0 -120.0 60.0 2
assign (resid 57 and name c) (resid 58 and name n) (resid 58 and name ca) (resid 58 and name c) 1.0 -120.0 60.0 2
assign (resid 58 and name c) (resid 59 and name n) (resid 59 and name ca) (resid 59 and name c) 1.0 -120.0 60.0 2
assign (resid 59 and name c) (resid 60 and name n) (resid 60 and name ca) (resid 60 and name c) 1.0 -120.0 40.0 2
assign (resid 60 and name c) (resid 61 and name n) (resid 61 and name ca) (resid 61 and name c) 1.0 -120.0 60.0 2
assign (resid 61 and name c) (resid 62 and name n) (resid 62 and name ca) (resid 62 and name c) 1.0 -120.0 60.0 2
assign (resid 62 and name c) (resid 63 and name n) (resid 63 and name ca) (resid 63 and name c) 1.0 -120.0 60.0 2
assign (resid 63 and name c) (resid 64 and name n) (resid 64 and name ca) (resid 64 and name c) 1.0 -120.0 60.0 2
assign (resid 65 and name c) (resid 66 and name n) (resid 66 and name ca) (resid 66 and name c) 1.0 -120.0 60.0 2
assign (resid 66 and name c) (resid 67 and name n) (resid 67 and name ca) (resid 67 and name c) 1.0 -120.0 60.0 2
assign (resid 67 and name c) (resid 68 and name n) (resid 68 and name ca) (resid 68 and name c) 1.0 -120.0 40.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1  10.400  -4.036  -3.597
    2   2H    GLY   1          2HT       GLY   1  10.643  -4.215  -1.925
    3   3H    GLY   1          3HT       GLY   1  10.916  -5.525  -2.971
    4   1HA   GLY   1          1HA       GLY   1  12.941  -4.813  -3.597
    5   2HA   GLY   1          2HA       GLY   1  12.439  -3.122  -3.549
    6    H    LYS   2           H        LYS   2  13.148  -1.939  -1.830
    7    HA   LYS   2           HA       LYS   2  14.546  -3.360   0.349
    8   1HB   LYS   2          2HB       LYS   2  14.455  -0.516  -0.611
    9   2HB   LYS   2          1HB       LYS   2  15.042  -0.879   1.013
   10   1HG   LYS   2          2HG       LYS   2  16.829  -0.807  -0.801
   11   2HG   LYS   2          1HG       LYS   2  16.790  -2.281   0.167
   12   1HD   LYS   2          2HD       LYS   2  15.552  -3.452  -1.566
   13   2HD   LYS   2          1HD       LYS   2  15.409  -1.970  -2.513
   14   1HE   LYS   2          2HE       LYS   2  18.181  -2.563  -1.805
   15   2HE   LYS   2          1HE       LYS   2  17.440  -3.857  -2.746
   16   1HZ   LYS   2          1HZ       LYS   2  18.467  -2.111  -4.123
   17   2HZ   LYS   2          2HZ       LYS   2  17.362  -0.986  -3.491
   18   3HZ   LYS   2          3HZ       LYS   2  16.808  -2.294  -4.423
   19    H    GLU   3           H        GLU   3  13.106  -0.308   1.069
   20    HA   GLU   3           HA       GLU   3  10.962  -1.659   2.635
   21   1HB   GLU   3          2HB       GLU   3  11.473  -0.345   4.597
   22   2HB   GLU   3          1HB       GLU   3  12.963  -1.137   4.082
   23   1HG   GLU   3          2HG       GLU   3  13.318   1.062   2.685
   24   2HG   GLU   3          1HG       GLU   3  12.179   1.752   3.842
   25    H    CYS   4           H        CYS   4  10.717  -0.273   0.149
   26    HA   CYS   4           HA       CYS   4   9.006   1.977   1.080
   27   1HB   CYS   4          2HB       CYS   4  10.756   2.045  -1.397
   28   2HB   CYS   4          1HB       CYS   4   9.660   3.320  -0.872
   29    H    ASP   5           H        ASP   5   7.081   2.251  -0.157
   30    HA   ASP   5           HA       ASP   5   6.509   0.029  -2.064
   31   1HB   ASP   5          2HB       ASP   5   5.248   0.115   0.181
   32   2HB   ASP   5          1HB       ASP   5   4.435   1.540  -0.468
   33    H    CYS   6           H        CYS   6   6.707   3.437  -1.615
   34    HA   CYS   6           HA       CYS   6   5.480   3.801  -4.317
   35   1HB   CYS   6          2HB       CYS   6   4.402   5.806  -3.653
   36   2HB   CYS   6          1HB       CYS   6   4.075   4.675  -2.344
   37    H    SER   7           H        SER   7   6.268   5.932  -5.320
   38    HA   SER   7           HA       SER   7   9.148   6.320  -4.607
   39   1HB   SER   7          2HB       SER   7   9.534   6.825  -6.979
   40   2HB   SER   7          1HB       SER   7   8.790   5.236  -6.814
   41    HG   SER   7           HG       SER   7   7.782   6.531  -8.424
   42    H    SER   8           H        SER   8   6.121   7.781  -4.635
   43    HA   SER   8           HA       SER   8   7.341  10.498  -4.859
   44   1HB   SER   8          2HB       SER   8   4.636  10.927  -4.936
   45   2HB   SER   8          1HB       SER   8   5.652  10.750  -6.363
   46    HG   SER   8           HG       SER   8   4.385   9.111  -6.744
   47    HA   PRO   9           HA       PRO   9   6.483  10.797  -0.520
   48   1HB   PRO   9          2HB       PRO   9   7.116  13.458  -0.270
   49   2HB   PRO   9          1HB       PRO   9   8.330  12.174  -0.403
   50   1HG   PRO   9          2HG       PRO   9   7.476  14.169  -2.448
   51   2HG   PRO   9          1HG       PRO   9   9.022  13.321  -2.285
   52   1HD   PRO   9          2HD       PRO   9   6.954  12.674  -4.112
   53   2HD   PRO   9          1HD       PRO   9   8.361  11.663  -3.721
   54    H    GLU  10           H        GLU  10   5.056  12.973  -2.905
   55    HA   GLU  10           HA       GLU  10   3.078  14.036  -1.022
   56   1HB   GLU  10          2HB       GLU  10   3.950  15.360  -2.964
   57   2HB   GLU  10          1HB       GLU  10   3.139  14.229  -4.048
   58   1HG   GLU  10          2HG       GLU  10   1.722  16.197  -3.689
   59   2HG   GLU  10          1HG       GLU  10   0.971  14.776  -2.962
   60    H    ASN  11           H        ASN  11   3.371  11.219  -2.948
   61    HA   ASN  11           HA       ASN  11   0.662  10.759  -3.663
   62   1HB   ASN  11          2HB       ASN  11   2.649   9.417  -4.438
   63   2HB   ASN  11          1HB       ASN  11   2.671   8.646  -2.852
   64   1HD2  ASN  11          1HD2      ASN  11   1.911   7.644  -5.709
   65   2HD2  ASN  11          2HD2      ASN  11   0.415   6.881  -5.467
   66    HA   PRO  12           HA       PRO  12  -0.893  10.145   0.482
   67   1HB   PRO  12          2HB       PRO  12  -3.519   9.884  -0.277
   68   2HB   PRO  12          1HB       PRO  12  -2.692  11.446  -0.139
   69   1HG   PRO  12          2HG       PRO  12  -3.468   9.947  -2.593
   70   2HG   PRO  12          1HG       PRO  12  -3.208  11.686  -2.376
   71   1HD   PRO  12          2HD       PRO  12  -1.386   9.845  -3.552
   72   2HD   PRO  12          1HD       PRO  12  -1.039  11.526  -3.091
   73    H    CYS  13           H        CYS  13   0.276   7.846  -0.824
   74    HA   CYS  13           HA       CYS  13  -1.551   5.746   0.202
   75   1HB   CYS  13          2HB       CYS  13  -0.436   5.860  -2.602
   76   2HB   CYS  13          1HB       CYS  13  -0.953   4.352  -1.859
   77    H    CYS  14           H        CYS  14   1.043   6.985   1.057
   78    HA   CYS  14           HA       CYS  14   2.323   4.519   1.789
   79   1HB   CYS  14          2HB       CYS  14   4.400   4.700   0.578
   80   2HB   CYS  14          1HB       CYS  14   3.082   4.727  -0.592
   81    H    ASP  15           H        ASP  15   2.913   4.965   3.804
   82    HA   ASP  15           HA       ASP  15   3.133   7.455   5.024
   83   1HB   ASP  15          2HB       ASP  15   3.263   5.028   5.997
   84   2HB   ASP  15          1HB       ASP  15   4.994   5.266   5.811
   85    H    ALA  16           H        ALA  16   4.455   9.135   4.508
   86    HA   ALA  16           HA       ALA  16   6.782   8.852   2.866
   87   1HB   ALA  16          1HB       ALA  16   7.147  11.209   3.281
   88   2HB   ALA  16          2HB       ALA  16   6.119  11.160   4.713
   89   3HB   ALA  16          3HB       ALA  16   5.410  10.951   3.111
   90    H    ALA  17           H        ALA  17   6.269   8.760   6.325
   91    HA   ALA  17           HA       ALA  17   8.952   9.254   7.172
   92   1HB   ALA  17          1HB       ALA  17   7.426   7.251   8.720
   93   2HB   ALA  17          2HB       ALA  17   6.589   8.781   8.459
   94   3HB   ALA  17          3HB       ALA  17   8.164   8.762   9.253
   95    H    THR  18           H        THR  18   7.267   6.162   6.513
   96    HA   THR  18           HA       THR  18   9.940   4.840   6.447
   97    HB   THR  18           HB       THR  18   8.868   2.818   6.971
   98    HG1  THR  18           HG1      THR  18   6.878   2.353   6.346
   99   1HG2  THR  18          1HG2      THR  18   8.729   4.385   8.854
  100   2HG2  THR  18          2HG2      THR  18   7.313   3.334   8.828
  101   3HG2  THR  18          3HG2      THR  18   7.189   4.995   8.247
  102    H    CYS  19           H        CYS  19   8.564   6.504   4.298
  103    HA   CYS  19           HA       CYS  19   8.001   6.348   2.005
  104   1HB   CYS  19          2HB       CYS  19   9.837   5.496   0.704
  105   2HB   CYS  19          1HB       CYS  19  10.524   6.214   2.158
  106    H    LYS  20           H        LYS  20   6.732   4.166   3.730
  107    HA   LYS  20           HA       LYS  20   6.528   2.077   1.600
  108   1HB   LYS  20          2HB       LYS  20   6.345   1.981   4.583
  109   2HB   LYS  20          1HB       LYS  20   5.381   0.836   3.649
  110   1HG   LYS  20          2HG       LYS  20   7.607   0.401   2.349
  111   2HG   LYS  20          1HG       LYS  20   8.375   1.126   3.762
  112   1HD   LYS  20          2HD       LYS  20   6.961  -0.516   5.154
  113   2HD   LYS  20          1HD       LYS  20   6.672  -1.363   3.635
  114   1HE   LYS  20          2HE       LYS  20   9.260  -1.268   3.358
  115   2HE   LYS  20          1HE       LYS  20   9.273  -0.946   5.091
  116   1HZ   LYS  20          1HZ       LYS  20   8.036  -3.288   3.748
  117   2HZ   LYS  20          2HZ       LYS  20   7.954  -2.966   5.414
  118   3HZ   LYS  20          3HZ       LYS  20   9.451  -3.299   4.683
  119    H    LEU  21           H        LEU  21   4.235   0.984   1.707
  120    HA   LEU  21           HA       LEU  21   2.296   2.907   0.914
  121   1HB   LEU  21          2HB       LEU  21   2.317   0.020   1.480
  122   2HB   LEU  21          1HB       LEU  21   0.766   0.802   1.776
  123    HG   LEU  21           HG       LEU  21   2.282   1.278  -0.794
  124   1HD1  LEU  21          1HD1      LEU  21   1.681  -1.221  -0.179
  125   2HD1  LEU  21          2HD1      LEU  21   1.357  -0.597  -1.796
  126   3HD1  LEU  21          3HD1      LEU  21   0.052  -0.707  -0.616
  127   1HD2  LEU  21          1HD2      LEU  21  -0.634   1.176  -0.822
  128   2HD2  LEU  21          2HD2      LEU  21   0.442   2.466  -1.360
  129   3HD2  LEU  21          3HD2      LEU  21  -0.028   2.361   0.336
  130    H    ARG  22           H        ARG  22   0.173   3.228   2.001
  131    HA   ARG  22           HA       ARG  22   0.607   3.750   4.884
  132   1HB   ARG  22          2HB       ARG  22  -0.771   5.116   2.816
  133   2HB   ARG  22          1HB       ARG  22  -2.007   4.519   3.924
  134   1HG   ARG  22          2HG       ARG  22  -1.394   6.614   4.832
  135   2HG   ARG  22          1HG       ARG  22  -0.495   5.447   5.804
  136   1HD   ARG  22          2HD       ARG  22   1.512   6.167   5.026
  137   2HD   ARG  22          1HD       ARG  22   0.921   6.302   3.370
  138    HE   ARG  22           HE       ARG  22   0.916   8.443   5.384
  139   1HH1  ARG  22          1HH2      ARG  22   1.580   8.424   2.334
  140   2HH1  ARG  22          2HH2      ARG  22   0.294   9.423   1.746
  141   1HH2  ARG  22          1HH1      ARG  22  -1.561   9.214   4.667
  142   2HH2  ARG  22          2HH1      ARG  22  -1.484   9.871   3.066
  143    HA   PRO  23           HA       PRO  23  -1.539  -0.041   5.763
  144   1HB   PRO  23          2HB       PRO  23  -2.006   0.514   8.432
  145   2HB   PRO  23          1HB       PRO  23  -0.471  -0.098   7.791
  146   1HG   PRO  23          2HG       PRO  23  -1.203   2.715   8.566
  147   2HG   PRO  23          1HG       PRO  23   0.350   1.872   8.736
  148   1HD   PRO  23          2HD       PRO  23  -0.139   3.683   6.708
  149   2HD   PRO  23          1HD       PRO  23   0.994   2.332   6.550
  150    H    GLY  24           H        GLY  24  -3.299   0.694   4.384
  151   1HA   GLY  24          2HA       GLY  24  -5.847   0.688   5.608
  152   2HA   GLY  24          1HA       GLY  24  -5.456   2.364   5.194
  153    H    ALA  25           H        ALA  25  -3.883   1.853   2.928
  154    HA   ALA  25           HA       ALA  25  -5.943   1.186   0.944
  155   1HB   ALA  25          1HB       ALA  25  -4.350   2.167  -0.656
  156   2HB   ALA  25          2HB       ALA  25  -3.140   2.288   0.618
  157   3HB   ALA  25          3HB       ALA  25  -4.608   3.260   0.703
  158    H    GLN  26           H        GLN  26  -4.155   0.360  -1.123
  159    HA   GLN  26           HA       GLN  26  -2.733  -2.005  -0.100
  160   1HB   GLN  26          2HB       GLN  26  -5.420  -2.179  -1.075
  161   2HB   GLN  26          1HB       GLN  26  -4.351  -3.014  -2.202
  162   1HG   GLN  26          2HG       GLN  26  -4.085  -4.720  -0.756
  163   2HG   GLN  26          1HG       GLN  26  -3.568  -3.607   0.511
  164   1HE2  GLN  26          1HE2      GLN  26  -6.136  -5.666  -0.498
  165   2HE2  GLN  26          2HE2      GLN  26  -7.280  -5.175   0.655
  166    H    CYS  27           H        CYS  27  -2.324   0.531  -1.773
  167    HA   CYS  27           HA       CYS  27  -0.330  -0.491  -3.508
  168   1HB   CYS  27          2HB       CYS  27  -1.294  -0.326  -5.686
  169   2HB   CYS  27          1HB       CYS  27  -2.442  -1.267  -4.736
  170    H    GLY  28           H        GLY  28   1.060   1.188  -3.732
  171   1HA   GLY  28          2HA       GLY  28  -0.027   3.922  -3.311
  172   2HA   GLY  28          1HA       GLY  28   1.647   3.451  -3.042
  173    H    GLU  29           H        GLU  29   1.217   1.906  -5.768
  174    HA   GLU  29           HA       GLU  29   0.866   3.897  -7.775
  175   1HB   GLU  29          2HB       GLU  29   3.159   4.460  -8.324
  176   2HB   GLU  29          1HB       GLU  29   2.881   4.837  -6.620
  177   1HG   GLU  29          2HG       GLU  29   4.697   3.573  -6.178
  178   2HG   GLU  29          1HG       GLU  29   3.693   2.178  -6.574
  179    H    GLY  30           H        GLY  30   0.469   2.732  -9.574
  180   1HA   GLY  30          2HA       GLY  30   2.164   0.703 -10.622
  181   2HA   GLY  30          1HA       GLY  30   0.837  -0.074  -9.757
  182    H    LEU  31           H        LEU  31   0.888  -0.560 -12.419
  183    HA   LEU  31           HA       LEU  31  -0.514   1.413 -13.992
  184   1HB   LEU  31          2HB       LEU  31   0.551  -1.243 -14.378
  185   2HB   LEU  31          1HB       LEU  31  -1.009  -1.060 -15.167
  186    HG   LEU  31           HG       LEU  31   1.362   0.800 -15.485
  187   1HD1  LEU  31          1HD1      LEU  31   0.201  -1.417 -17.161
  188   2HD1  LEU  31          2HD1      LEU  31   1.885  -1.131 -16.726
  189   3HD1  LEU  31          3HD1      LEU  31   1.093  -0.093 -17.912
  190   1HD2  LEU  31          1HD2      LEU  31  -0.905   0.924 -17.367
  191   2HD2  LEU  31          2HD2      LEU  31  -0.008   2.236 -16.601
  192   3HD2  LEU  31          3HD2      LEU  31  -1.305   1.423 -15.723
  193    H    CYS  32           H        CYS  32  -1.496  -1.065 -11.771
  194    HA   CYS  32           HA       CYS  32  -4.345  -0.458 -12.449
  195   1HB   CYS  32          2HB       CYS  32  -3.535  -3.082 -11.226
  196   2HB   CYS  32          1HB       CYS  32  -4.958  -2.700 -12.194
  197    H    CYS  33           H        CYS  33  -2.800   0.993 -10.558
  198    HA   CYS  33           HA       CYS  33  -3.711  -0.069  -7.927
  199   1HB   CYS  33          2HB       CYS  33  -1.422   0.573  -7.836
  200   2HB   CYS  33          1HB       CYS  33  -1.719   2.060  -8.732
  201    H    GLU  34           H        GLU  34  -5.818   0.530  -7.603
  202    HA   GLU  34           HA       GLU  34  -6.979   2.949  -8.657
  203   1HB   GLU  34          2HB       GLU  34  -7.925   0.623  -7.433
  204   2HB   GLU  34          1HB       GLU  34  -8.334   1.917  -6.311
  205   1HG   GLU  34          2HG       GLU  34 -10.176   2.003  -7.716
  206   2HG   GLU  34          1HG       GLU  34  -9.109   3.152  -8.524
  207    H    GLN  35           H        GLN  35  -8.229   4.342  -6.755
  208    HA   GLN  35           HA       GLN  35  -6.208   5.946  -5.577
  209   1HB   GLN  35          2HB       GLN  35  -9.043   5.690  -4.544
  210   2HB   GLN  35          1HB       GLN  35  -7.984   7.098  -4.442
  211   1HG   GLN  35          2HG       GLN  35  -8.096   6.449  -7.177
  212   2HG   GLN  35          1HG       GLN  35  -9.754   6.308  -6.594
  213   1HE2  GLN  35          1HE2      GLN  35  -8.084   8.507  -8.164
  214   2HE2  GLN  35          2HE2      GLN  35  -8.558   9.939  -7.387
  215    H    CYS  36           H        CYS  36  -4.779   4.544  -4.422
  216    HA   CYS  36           HA       CYS  36  -4.008   3.379  -2.531
  217   1HB   CYS  36          2HB       CYS  36  -6.033   5.289  -1.575
  218   2HB   CYS  36          1HB       CYS  36  -5.813   3.900  -0.520
  219    H    LYS  37           H        LYS  37  -5.573   1.831  -4.275
  220    HA   LYS  37           HA       LYS  37  -6.590  -0.176  -2.398
  221   1HB   LYS  37          2HB       LYS  37  -8.452   1.624  -3.109
  222   2HB   LYS  37          1HB       LYS  37  -8.570   0.550  -4.504
  223   1HG   LYS  37          2HG       LYS  37  -9.156  -1.311  -3.171
  224   2HG   LYS  37          1HG       LYS  37  -8.580  -0.540  -1.693
  225   1HD   LYS  37          2HD       LYS  37 -10.671   0.994  -3.073
  226   2HD   LYS  37          1HD       LYS  37 -11.208  -0.592  -2.519
  227   1HE   LYS  37          2HE       LYS  37  -9.967   0.085  -0.298
  228   2HE   LYS  37          1HE       LYS  37 -10.182   1.725  -0.911
  229   1HZ   LYS  37          1HZ       LYS  37 -12.216   1.613  -0.062
  230   2HZ   LYS  37          2HZ       LYS  37 -12.111  -0.061   0.206
  231   3HZ   LYS  37          3HZ       LYS  37 -12.602   0.531  -1.309
  232    H    PHE  38           H        PHE  38  -6.521  -2.239  -3.316
  233    HA   PHE  38           HA       PHE  38  -4.959  -2.591  -5.698
  234   1HB   PHE  38          2HB       PHE  38  -6.466  -4.364  -3.836
  235   2HB   PHE  38          1HB       PHE  38  -6.103  -5.010  -5.435
  236    HD1  PHE  38           HD1      PHE  38  -4.974  -5.492  -2.405
  237    HD2  PHE  38           HD2      PHE  38  -3.503  -3.701  -6.021
  238    HE1  PHE  38           HE1      PHE  38  -2.648  -5.966  -1.692
  239    HE2  PHE  38           HE2      PHE  38  -1.176  -4.173  -5.307
  240    HZ   PHE  38           HZ       PHE  38  -0.747  -5.305  -3.142
  241    H    SER  39           H        SER  39  -5.715  -2.151  -7.732
  242    HA   SER  39           HA       SER  39  -8.398  -1.743  -8.463
  243   1HB   SER  39          2HB       SER  39  -7.671  -2.176 -10.789
  244   2HB   SER  39          1HB       SER  39  -6.507  -1.165  -9.939
  245    HG   SER  39           HG       SER  39  -6.325  -3.991 -10.124
  246    H    ARG  40           H        ARG  40  -9.749  -3.250  -9.879
  247    HA   ARG  40           HA       ARG  40  -9.678  -5.937  -8.679
  248   1HB   ARG  40          2HB       ARG  40 -11.758  -4.154  -9.641
  249   2HB   ARG  40          1HB       ARG  40 -11.946  -5.789 -10.274
  250   1HG   ARG  40          2HG       ARG  40 -11.245  -6.138  -7.583
  251   2HG   ARG  40          1HG       ARG  40 -12.396  -4.802  -7.576
  252   1HD   ARG  40          2HD       ARG  40 -13.892  -6.236  -9.053
  253   2HD   ARG  40          1HD       ARG  40 -12.799  -7.579  -8.712
  254    HE   ARG  40           HE       ARG  40 -13.901  -6.166  -6.363
  255   1HH1  ARG  40          1HH2      ARG  40 -14.356  -8.643  -8.702
  256   2HH1  ARG  40          2HH2      ARG  40 -15.094  -9.748  -7.590
  257   1HH2  ARG  40          1HH1      ARG  40 -14.697  -7.668  -4.845
  258   2HH2  ARG  40          2HH1      ARG  40 -15.288  -9.196  -5.408
  259    H    ALA  41           H        ALA  41  -9.746  -7.840 -10.029
  260    HA   ALA  41           HA       ALA  41  -8.035  -7.887 -12.235
  261   1HB   ALA  41          1HB       ALA  41 -10.062  -9.693 -11.112
  262   2HB   ALA  41          2HB       ALA  41  -8.463 -10.064 -11.755
  263   3HB   ALA  41          3HB       ALA  41  -9.836  -9.894 -12.849
  264    H    GLY  42           H        GLY  42  -8.857  -8.589 -14.550
  265   1HA   GLY  42          2HA       GLY  42  -9.995  -7.958 -16.501
  266   2HA   GLY  42          1HA       GLY  42 -11.328  -7.455 -15.472
  267    H    LYS  43           H        LYS  43  -8.116  -6.170 -14.910
  268    HA   LYS  43           HA       LYS  43  -9.172  -3.506 -15.667
  269   1HB   LYS  43          2HB       LYS  43  -8.264  -3.533 -13.459
  270   2HB   LYS  43          1HB       LYS  43  -6.813  -4.372 -14.000
  271   1HG   LYS  43          2HG       LYS  43  -6.200  -2.066 -13.731
  272   2HG   LYS  43          1HG       LYS  43  -6.327  -2.345 -15.465
  273   1HD   LYS  43          2HD       LYS  43  -8.299  -1.140 -15.660
  274   2HD   LYS  43          1HD       LYS  43  -8.768  -1.439 -13.986
  275   1HE   LYS  43          2HE       LYS  43  -7.708   0.419 -13.254
  276   2HE   LYS  43          1HE       LYS  43  -6.262   0.058 -14.197
  277   1HZ   LYS  43          1HZ       LYS  43  -8.005   2.054 -14.723
  278   2HZ   LYS  43          2HZ       LYS  43  -8.526   0.841 -15.793
  279   3HZ   LYS  43          3HZ       LYS  43  -6.919   1.390 -15.844
  280    H    ILE  44           H        ILE  44  -8.573  -2.632 -17.599
  281    HA   ILE  44           HA       ILE  44  -6.514  -3.931 -19.201
  282    HB   ILE  44           HB       ILE  44  -8.381  -3.053 -20.396
  283   1HG1  ILE  44          2HG1      ILE  44  -7.314  -1.205 -21.789
  284   2HG1  ILE  44          1HG1      ILE  44  -5.943  -1.273 -20.682
  285   1HG2  ILE  44          1HG2      ILE  44  -8.177  -0.981 -18.401
  286   2HG2  ILE  44          2HG2      ILE  44  -9.529  -1.366 -19.465
  287   3HG2  ILE  44          3HG2      ILE  44  -8.265  -0.262 -20.008
  288   1HD1  ILE  44          1HD1      ILE  44  -6.929  -3.840 -21.858
  289   2HD1  ILE  44          2HD1      ILE  44  -5.291  -3.375 -21.397
  290   3HD1  ILE  44          3HD1      ILE  44  -5.996  -2.757 -22.891
  291    H    CYS  45           H        CYS  45  -4.535  -3.656 -18.170
  292    HA   CYS  45           HA       CYS  45  -3.637  -1.043 -17.209
  293   1HB   CYS  45          2HB       CYS  45  -1.450  -2.278 -16.908
  294   2HB   CYS  45          1HB       CYS  45  -2.817  -2.990 -16.060
  295    H    ARG  46           H        ARG  46  -3.516  -2.805 -20.203
  296    HA   ARG  46           HA       ARG  46  -2.307  -0.523 -21.546
  297   1HB   ARG  46          2HB       ARG  46  -0.496  -2.318 -20.454
  298   2HB   ARG  46          1HB       ARG  46  -0.646  -2.864 -22.125
  299   1HG   ARG  46          2HG       ARG  46  -0.435  -0.286 -22.662
  300   2HG   ARG  46          1HG       ARG  46   0.333  -0.233 -21.075
  301   1HD   ARG  46          2HD       ARG  46   1.509  -2.444 -22.253
  302   2HD   ARG  46          1HD       ARG  46   1.352  -1.315 -23.600
  303    HE   ARG  46           HE       ARG  46   2.457  -0.108 -21.174
  304   1HH1  ARG  46          1HH2      ARG  46   2.883   0.059 -24.357
  305   2HH1  ARG  46          2HH2      ARG  46   4.589  -0.236 -24.395
  306   1HH2  ARG  46          1HH1      ARG  46   4.746  -1.304 -21.098
  307   2HH2  ARG  46          2HH1      ARG  46   5.644  -1.008 -22.549
  308    H    ILE  47           H        ILE  47  -2.430  -0.735 -23.848
  309    HA   ILE  47           HA       ILE  47  -4.329  -2.860 -24.691
  310    HB   ILE  47           HB       ILE  47  -4.772  -0.364 -25.080
  311   1HG1  ILE  47          2HG1      ILE  47  -4.707  -1.852 -27.687
  312   2HG1  ILE  47          1HG1      ILE  47  -5.700  -2.468 -26.365
  313   1HG2  ILE  47          1HG2      ILE  47  -2.345  -0.012 -25.853
  314   2HG2  ILE  47          2HG2      ILE  47  -3.604   0.752 -26.823
  315   3HG2  ILE  47          3HG2      ILE  47  -2.848  -0.742 -27.378
  316   1HD1  ILE  47          1HD1      ILE  47  -7.232  -0.829 -26.624
  317   2HD1  ILE  47          2HD1      ILE  47  -6.443  -0.485 -28.164
  318   3HD1  ILE  47          3HD1      ILE  47  -5.987   0.417 -26.719
  319    H    ALA  48           H        ALA  48  -3.888  -4.126 -26.572
  320    HA   ALA  48           HA       ALA  48  -1.203  -4.980 -26.897
  321   1HB   ALA  48          1HB       ALA  48  -3.347  -6.219 -27.547
  322   2HB   ALA  48          2HB       ALA  48  -2.003  -6.341 -28.682
  323   3HB   ALA  48          3HB       ALA  48  -3.341  -5.243 -29.016
  324    H    LYS  49           H        LYS  49  -1.013  -5.018 -29.804
  325    HA   LYS  49           HA       LYS  49  -0.614  -2.132 -30.412
  326   1HB   LYS  49          2HB       LYS  49   1.386  -4.309 -30.944
  327   2HB   LYS  49          1HB       LYS  49   1.589  -2.604 -31.328
  328   1HG   LYS  49          2HG       LYS  49   0.857  -2.807 -28.575
  329   2HG   LYS  49          1HG       LYS  49   2.172  -3.946 -28.869
  330   1HD   LYS  49          2HD       LYS  49   3.684  -2.291 -29.278
  331   2HD   LYS  49          1HD       LYS  49   2.511  -1.302 -30.148
  332   1HE   LYS  49          2HE       LYS  49   1.490  -1.162 -27.635
  333   2HE   LYS  49          1HE       LYS  49   3.209  -1.309 -27.268
  334   1HZ   LYS  49          1HZ       LYS  49   1.985   0.991 -27.890
  335   2HZ   LYS  49          2HZ       LYS  49   2.573   0.522 -29.413
  336   3HZ   LYS  49          3HZ       LYS  49   3.643   0.707 -28.106
  337    H    GLY  50           H        GLY  50  -2.733  -3.836 -31.338
  338   1HA   GLY  50          2HA       GLY  50  -2.640  -3.324 -34.128
  339   2HA   GLY  50          1HA       GLY  50  -2.220  -5.015 -33.870
  340    H    ASP  51           H        ASP  51  -3.810  -6.424 -33.011
  341    HA   ASP  51           HA       ASP  51  -6.446  -5.479 -32.274
  342   1HB   ASP  51          2HB       ASP  51  -5.921  -5.927 -35.031
  343   2HB   ASP  51          1HB       ASP  51  -6.943  -7.244 -34.459
  344    H    TRP  52           H        TRP  52  -6.274  -6.813 -30.456
  345    HA   TRP  52           HA       TRP  52  -6.975  -9.563 -30.725
  346   1HB   TRP  52          2HB       TRP  52  -4.531 -10.114 -29.541
  347   2HB   TRP  52          1HB       TRP  52  -4.955 -10.475 -31.211
  348    HD1  TRP  52           HD1      TRP  52  -4.010  -7.119 -29.522
  349    HE1  TRP  52           HE1      TRP  52  -2.106  -6.049 -30.878
  350    HE3  TRP  52           HE3      TRP  52  -3.274 -10.754 -33.034
  351    HZ2  TRP  52           HZ2      TRP  52  -0.480  -6.645 -33.142
  352    HZ3  TRP  52           HZ3      TRP  52  -1.540 -10.472 -34.782
  353    HH2  TRP  52           HH2      TRP  52  -0.144  -8.421 -34.841
  354    H    ASN  53           H        ASN  53  -5.905 -10.628 -28.385
  355    HA   ASN  53           HA       ASN  53  -7.539  -9.548 -26.371
  356   1HB   ASN  53          2HB       ASN  53  -5.186 -11.372 -26.423
  357   2HB   ASN  53          1HB       ASN  53  -5.615 -10.674 -24.862
  358   1HD2  ASN  53          1HD2      ASN  53  -6.026 -13.492 -26.224
  359   2HD2  ASN  53          2HD2      ASN  53  -7.650 -13.837 -25.875
  360    H    ASP  54           H        ASP  54  -6.888  -8.398 -24.374
  361    HA   ASP  54           HA       ASP  54  -4.681  -6.443 -24.894
  362   1HB   ASP  54          2HB       ASP  54  -6.107  -5.009 -23.235
  363   2HB   ASP  54          1HB       ASP  54  -6.628  -5.132 -24.915
  364    H    ASP  55           H        ASP  55  -4.038  -5.412 -22.630
  365    HA   ASP  55           HA       ASP  55  -3.216  -7.682 -20.951
  366   1HB   ASP  55          2HB       ASP  55  -1.802  -5.600 -21.697
  367   2HB   ASP  55          1HB       ASP  55  -2.583  -4.845 -20.315
  368    H    ARG  56           H        ARG  56  -4.247  -8.238 -19.096
  369    HA   ARG  56           HA       ARG  56  -6.154  -6.265 -17.895
  370   1HB   ARG  56          2HB       ARG  56  -6.695  -8.786 -18.954
  371   2HB   ARG  56          1HB       ARG  56  -6.624  -9.060 -17.213
  372   1HG   ARG  56          2HG       ARG  56  -8.906  -8.442 -17.942
  373   2HG   ARG  56          1HG       ARG  56  -8.229  -7.242 -16.841
  374   1HD   ARG  56          2HD       ARG  56  -9.395  -6.364 -18.966
  375   2HD   ARG  56          1HD       ARG  56  -7.800  -5.712 -18.596
  376    HE   ARG  56           HE       ARG  56  -7.071  -6.655 -20.619
  377   1HH1  ARG  56          1HH1      ARG  56 -10.260  -7.301 -20.654
  378   2HH1  ARG  56          2HH1      ARG  56 -10.169  -8.855 -21.414
  379   1HH2  ARG  56          1HH2      ARG  56  -6.733  -9.126 -21.049
  380   2HH2  ARG  56          2HH2      ARG  56  -8.173  -9.888 -21.637
  381    H    CYS  57           H        CYS  57  -6.180  -6.155 -15.593
  382    HA   CYS  57           HA       CYS  57  -3.731  -7.240 -14.311
  383   1HB   CYS  57          2HB       CYS  57  -5.702  -5.402 -12.962
  384   2HB   CYS  57          1HB       CYS  57  -3.979  -5.587 -12.653
  385    H    THR  58           H        THR  58  -4.047  -8.210 -12.114
  386    HA   THR  58           HA       THR  58  -6.346 -10.040 -12.152
  387    HB   THR  58           HB       THR  58  -5.201 -11.254 -10.462
  388    HG1  THR  58           HG1      THR  58  -4.118  -8.743  -9.925
  389   1HG2  THR  58          1HG2      THR  58  -4.023 -10.856 -12.799
  390   2HG2  THR  58          2HG2      THR  58  -3.193 -11.736 -11.517
  391   3HG2  THR  58          3HG2      THR  58  -2.818 -10.038 -11.806
  392    H    GLY  59           H        GLY  59  -6.870 -10.401  -9.462
  393   1HA   GLY  59          2HA       GLY  59  -8.185  -7.813  -8.787
  394   2HA   GLY  59          1HA       GLY  59  -8.734  -9.397  -8.238
  395    H    GLN  60           H        GLN  60  -5.352  -9.097  -8.116
  396    HA   GLN  60           HA       GLN  60  -5.373  -8.060  -5.335
  397   1HB   GLN  60          2HB       GLN  60  -4.411 -10.803  -6.182
  398   2HB   GLN  60          1HB       GLN  60  -3.894 -10.035  -4.681
  399   1HG   GLN  60          2HG       GLN  60  -6.259  -9.820  -3.982
  400   2HG   GLN  60          1HG       GLN  60  -6.763 -10.621  -5.472
  401   1HE2  GLN  60          1HE2      GLN  60  -6.072 -11.230  -2.238
  402   2HE2  GLN  60          2HE2      GLN  60  -5.723 -12.887  -2.352
  403    H    SER  61           H        SER  61  -4.166  -7.678  -8.276
  404    HA   SER  61           HA       SER  61  -1.371  -7.217  -7.309
  405   1HB   SER  61          2HB       SER  61  -0.597  -8.036  -9.273
  406   2HB   SER  61          1HB       SER  61  -2.218  -8.679  -9.507
  407    HG   SER  61           HG       SER  61  -2.719  -6.972 -10.768
  408    H    ALA  62           H        ALA  62  -0.307  -5.300  -8.478
  409    HA   ALA  62           HA       ALA  62  -2.297  -3.150  -9.051
  410   1HB   ALA  62          1HB       ALA  62  -1.712  -2.559  -6.865
  411   2HB   ALA  62          2HB       ALA  62  -0.552  -1.632  -7.818
  412   3HB   ALA  62          3HB       ALA  62  -0.056  -3.139  -7.046
  413    H    ASP  63           H        ASP  63   0.186  -4.918 -10.238
  414    HA   ASP  63           HA       ASP  63   1.270  -2.630 -11.826
  415   1HB   ASP  63          2HB       ASP  63   2.628  -5.280 -11.562
  416   2HB   ASP  63          1HB       ASP  63   3.334  -3.729 -11.990
  417    H    CYS  64           H        CYS  64   2.315  -3.901 -13.978
  418    HA   CYS  64           HA       CYS  64   0.276  -5.773 -15.023
  419   1HB   CYS  64          2HB       CYS  64  -0.672  -3.630 -15.634
  420   2HB   CYS  64          1HB       CYS  64   0.877  -3.077 -16.269
  421    HA   PRO  65           HA       PRO  65   4.010  -7.319 -16.769
  422   1HB   PRO  65          2HB       PRO  65   2.812  -9.536 -17.841
  423   2HB   PRO  65          1HB       PRO  65   3.260  -9.408 -16.140
  424   1HG   PRO  65          2HG       PRO  65   0.574  -9.306 -17.407
  425   2HG   PRO  65          1HG       PRO  65   1.014  -9.733 -15.745
  426   1HD   PRO  65          2HD       PRO  65  -0.058  -7.255 -16.620
  427   2HD   PRO  65          1HD       PRO  65   0.625  -7.606 -15.019
  428    H    ARG  66           H        ARG  66   3.838  -8.831 -19.211
  429    HA   ARG  66           HA       ARG  66   2.678  -6.898 -21.128
  430   1HB   ARG  66          2HB       ARG  66   5.186  -6.558 -20.761
  431   2HB   ARG  66          1HB       ARG  66   5.405  -8.137 -21.514
  432   1HG   ARG  66          2HG       ARG  66   5.096  -7.278 -23.576
  433   2HG   ARG  66          1HG       ARG  66   3.603  -6.481 -23.078
  434   1HD   ARG  66          2HD       ARG  66   4.750  -4.544 -22.336
  435   2HD   ARG  66          1HD       ARG  66   6.308  -5.372 -22.323
  436    HE   ARG  66           HE       ARG  66   6.406  -5.151 -24.720
  437   1HH1  ARG  66          1HH1      ARG  66   3.155  -4.843 -23.929
  438   2HH1  ARG  66          2HH1      ARG  66   2.826  -3.555 -25.039
  439   1HH2  ARG  66          1HH2      ARG  66   6.155  -3.081 -25.887
  440   2HH2  ARG  66          2HH2      ARG  66   4.524  -2.557 -26.148
  441    H    TYR  67           H        TYR  67   1.995  -7.862 -23.111
  442    HA   TYR  67           HA       TYR  67   2.459 -10.724 -23.511
  443   1HB   TYR  67          2HB       TYR  67   0.386 -10.269 -21.965
  444   2HB   TYR  67          1HB       TYR  67  -0.385  -9.852 -23.490
  445    HD1  TYR  67           HD1      TYR  67   1.559 -12.554 -21.801
  446    HD2  TYR  67           HD2      TYR  67  -1.163 -11.521 -24.959
  447    HE1  TYR  67           HE1      TYR  67   1.244 -14.959 -22.317
  448    HE2  TYR  67           HE2      TYR  67  -1.477 -13.926 -25.476
  449    HH   TYR  67           HH       TYR  67  -1.246 -16.137 -24.138
  450    H    HIS  68           HN       HIS  68   2.664  -7.908 -24.852
  451    HA   HIS  68           HA       HIS  68   2.067  -8.915 -27.536
  452   1HB   HIS  68          2HB       HIS  68   0.169  -7.237 -26.172
  453   2HB   HIS  68          1HB       HIS  68   0.859  -6.347 -27.528
  454    HD1  HIS  68           HD1      HIS  68  -1.537  -9.003 -26.718
  455    HD2  HIS  68           HD2      HIS  68   0.613  -7.812 -30.085
  456    HE1  HIS  68           HE1      HIS  68  -2.625 -10.140 -28.704
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1  12.723  -8.447  -7.647
    2   2H    GLY   1          2HT       GLY   1  13.387  -8.853  -6.137
    3   3H    GLY   1          3HT       GLY   1  13.860  -7.420  -6.920
    4   1HA   GLY   1          1HA       GLY   1  11.368  -6.816  -6.794
    5   2HA   GLY   1          2HA       GLY   1  11.347  -8.034  -5.518
    6    H    LYS   2           H        LYS   2  10.924  -5.197  -5.139
    7    HA   LYS   2           HA       LYS   2  13.206  -4.661  -3.297
    8   1HB   LYS   2          2HB       LYS   2  12.608  -3.185  -5.646
    9   2HB   LYS   2          1HB       LYS   2  12.110  -2.186  -4.279
   10   1HG   LYS   2          2HG       LYS   2  14.334  -2.535  -3.235
   11   2HG   LYS   2          1HG       LYS   2  14.831  -3.475  -4.644
   12   1HD   LYS   2          2HD       LYS   2  13.684  -0.920  -5.429
   13   2HD   LYS   2          1HD       LYS   2  15.055  -0.703  -4.340
   14   1HE   LYS   2          2HE       LYS   2  16.537  -1.389  -5.903
   15   2HE   LYS   2          1HE       LYS   2  15.536  -2.768  -6.359
   16   1HZ   LYS   2          1HZ       LYS   2  14.119  -0.685  -7.305
   17   2HZ   LYS   2          2HZ       LYS   2  15.200  -1.617  -8.227
   18   3HZ   LYS   2          3HZ       LYS   2  15.709  -0.145  -7.546
   19    H    GLU   3           H        GLU   3  12.423  -2.610  -1.874
   20    HA   GLU   3           HA       GLU   3   9.629  -3.244  -1.003
   21   1HB   GLU   3          2HB       GLU   3  12.067  -3.355   0.447
   22   2HB   GLU   3          1HB       GLU   3  11.133  -2.003   1.083
   23   1HG   GLU   3          2HG       GLU   3  10.029  -3.574   2.290
   24   2HG   GLU   3          1HG       GLU   3   9.205  -3.944   0.775
   25    H    CYS   4           H        CYS   4   9.281  -1.466  -2.743
   26    HA   CYS   4           HA       CYS   4   9.081   1.093  -1.295
   27   1HB   CYS   4          2HB       CYS   4  11.177   1.119  -2.696
   28   2HB   CYS   4          1HB       CYS   4  10.122   1.030  -4.084
   29    H    ASP   5           H        ASP   5   6.901  -0.037  -1.321
   30    HA   ASP   5           HA       ASP   5   5.207  -0.546  -3.376
   31   1HB   ASP   5          2HB       ASP   5   4.720  -0.226  -0.830
   32   2HB   ASP   5          1HB       ASP   5   4.281   1.417  -1.294
   33    H    CYS   6           H        CYS   6   6.357   2.675  -2.463
   34    HA   CYS   6           HA       CYS   6   5.612   3.653  -5.153
   35   1HB   CYS   6          2HB       CYS   6   4.778   5.295  -2.768
   36   2HB   CYS   6          1HB       CYS   6   4.245   5.434  -4.441
   37    H    SER   7           H        SER   7   6.986   5.321  -5.835
   38    HA   SER   7           HA       SER   7   9.147   6.036  -3.899
   39   1HB   SER   7          2HB       SER   7  10.670   6.092  -5.678
   40   2HB   SER   7          1HB       SER   7   9.621   4.752  -6.128
   41    HG   SER   7           HG       SER   7  10.036   7.118  -7.371
   42    H    SER   8           H        SER   8   6.381   7.303  -5.024
   43    HA   SER   8           HA       SER   8   7.368   9.958  -5.789
   44   1HB   SER   8          2HB       SER   8   4.971   8.534  -6.154
   45   2HB   SER   8          1HB       SER   8   4.568   9.896  -5.117
   46    HG   SER   8           HG       SER   8   5.285   9.837  -7.753
   47    HA   PRO   9           HA       PRO   9   7.455  11.175  -1.495
   48   1HB   PRO   9          2HB       PRO   9   8.424  13.702  -1.968
   49   2HB   PRO   9          1HB       PRO   9   9.442  12.251  -1.961
   50   1HG   PRO   9          2HG       PRO   9   8.490  13.865  -4.280
   51   2HG   PRO   9          1HG       PRO   9   9.933  12.848  -4.139
   52   1HD   PRO   9          2HD       PRO   9   7.524  12.146  -5.456
   53   2HD   PRO   9          1HD       PRO   9   8.850  11.040  -5.035
   54    H    GLU  10           H        GLU  10   5.251  11.983  -3.771
   55    HA   GLU  10           HA       GLU  10   3.980  14.064  -2.035
   56   1HB   GLU  10          2HB       GLU  10   4.662  14.272  -4.735
   57   2HB   GLU  10          1HB       GLU  10   2.931  13.926  -4.753
   58   1HG   GLU  10          2HG       GLU  10   2.912  15.744  -2.806
   59   2HG   GLU  10          1HG       GLU  10   4.384  16.279  -3.617
   60    H    ASN  11           H        ASN  11   3.846  10.963  -2.283
   61    HA   ASN  11           HA       ASN  11   0.918  10.756  -2.673
   62   1HB   ASN  11          2HB       ASN  11   3.037   9.167  -3.623
   63   2HB   ASN  11          1HB       ASN  11   2.248   8.210  -2.370
   64   1HD2  ASN  11          1HD2      ASN  11   2.126   7.748  -5.314
   65   2HD2  ASN  11          2HD2      ASN  11   0.484   7.845  -5.735
   66    HA   PRO  12           HA       PRO  12   0.897  10.310   1.777
   67   1HB   PRO  12          2HB       PRO  12  -1.842  10.212   2.002
   68   2HB   PRO  12          1HB       PRO  12  -0.929  11.717   1.802
   69   1HG   PRO  12          2HG       PRO  12  -2.598  10.259  -0.190
   70   2HG   PRO  12          1HG       PRO  12  -2.193  11.982  -0.113
   71   1HD   PRO  12          2HD       PRO  12  -1.000  10.066  -1.828
   72   2HD   PRO  12          1HD       PRO  12  -0.401  11.708  -1.515
   73    H    CYS  13           H        CYS  13  -0.307   8.133  -0.600
   74    HA   CYS  13           HA       CYS  13  -1.071   6.052   1.356
   75   1HB   CYS  13          2HB       CYS  13  -1.810   6.625  -1.284
   76   2HB   CYS  13          1HB       CYS  13  -0.848   5.152  -1.383
   77    H    CYS  14           H        CYS  14   1.797   7.149   0.894
   78    HA   CYS  14           HA       CYS  14   3.048   4.546   1.182
   79   1HB   CYS  14          2HB       CYS  14   3.137   5.981  -1.416
   80   2HB   CYS  14          1HB       CYS  14   4.658   5.293  -0.845
   81    H    ASP  15           H        ASP  15   4.855   4.755   2.407
   82    HA   ASP  15           HA       ASP  15   5.668   7.383   3.325
   83   1HB   ASP  15          2HB       ASP  15   5.723   5.060   4.549
   84   2HB   ASP  15          1HB       ASP  15   7.295   4.928   3.772
   85    H    ALA  16           H        ALA  16   7.298   8.635   2.504
   86    HA   ALA  16           HA       ALA  16   8.643   7.756   0.080
   87   1HB   ALA  16          1HB       ALA  16   8.062  10.029   0.021
   88   2HB   ALA  16          2HB       ALA  16   9.785  10.075   0.397
   89   3HB   ALA  16          3HB       ALA  16   8.595  10.301   1.681
   90    H    ALA  17           H        ALA  17   9.329   7.579   3.415
   91    HA   ALA  17           HA       ALA  17  12.265   7.451   2.935
   92   1HB   ALA  17          1HB       ALA  17  10.588   8.207   5.177
   93   2HB   ALA  17          2HB       ALA  17  12.322   8.446   4.959
   94   3HB   ALA  17          3HB       ALA  17  11.720   6.941   5.651
   95    H    THR  18           H        THR  18   9.640   5.553   4.430
   96    HA   THR  18           HA       THR  18  11.308   3.169   4.597
   97    HB   THR  18           HB       THR  18   8.687   4.039   5.513
   98    HG1  THR  18           HG1      THR  18   9.300   2.856   7.220
   99   1HG2  THR  18          1HG2      THR  18   7.639   1.796   5.560
  100   2HG2  THR  18          2HG2      THR  18   8.945   1.178   4.549
  101   3HG2  THR  18          3HG2      THR  18   7.833   2.390   3.910
  102    H    CYS  19           H        CYS  19   9.878   4.714   2.038
  103    HA   CYS  19           HA       CYS  19   9.086   4.005  -0.063
  104   1HB   CYS  19          2HB       CYS  19  11.562   2.668   0.574
  105   2HB   CYS  19          1HB       CYS  19  10.577   1.670  -0.478
  106    H    LYS  20           H        LYS  20   6.976   3.421   0.823
  107    HA   LYS  20           HA       LYS  20   6.100   0.858   0.029
  108   1HB   LYS  20          2HB       LYS  20   7.121   0.994   2.793
  109   2HB   LYS  20          1HB       LYS  20   5.516   0.281   2.626
  110   1HG   LYS  20          2HG       LYS  20   7.111  -0.765   0.514
  111   2HG   LYS  20          1HG       LYS  20   8.054  -0.906   1.999
  112   1HD   LYS  20          2HD       LYS  20   5.833  -1.807   3.036
  113   2HD   LYS  20          1HD       LYS  20   5.357  -2.082   1.360
  114   1HE   LYS  20          2HE       LYS  20   7.357  -3.454   0.992
  115   2HE   LYS  20          1HE       LYS  20   7.891  -3.145   2.644
  116   1HZ   LYS  20          1HZ       LYS  20   6.804  -5.244   2.597
  117   2HZ   LYS  20          2HZ       LYS  20   5.451  -4.603   1.793
  118   3HZ   LYS  20          3HZ       LYS  20   5.775  -4.160   3.401
  119    H    LEU  21           H        LEU  21   3.912   0.458   1.741
  120    HA   LEU  21           HA       LEU  21   2.319   2.841   1.054
  121   1HB   LEU  21          2HB       LEU  21   1.731   0.030   1.900
  122   2HB   LEU  21          1HB       LEU  21   0.503   1.261   2.194
  123    HG   LEU  21           HG       LEU  21   1.808   1.092  -0.507
  124   1HD1  LEU  21          1HD1      LEU  21   0.567  -0.712  -1.197
  125   2HD1  LEU  21          2HD1      LEU  21  -0.740  -0.375  -0.061
  126   3HD1  LEU  21          3HD1      LEU  21   0.736  -1.162   0.500
  127   1HD2  LEU  21          1HD2      LEU  21   0.256   2.651  -0.966
  128   2HD2  LEU  21          2HD2      LEU  21  -0.249   2.610   0.724
  129   3HD2  LEU  21          3HD2      LEU  21  -1.027   1.554  -0.455
  130    H    ARG  22           H        ARG  22   1.656   4.350   2.534
  131    HA   ARG  22           HA       ARG  22   2.698   4.163   5.260
  132   1HB   ARG  22          2HB       ARG  22   1.856   6.251   3.520
  133   2HB   ARG  22          1HB       ARG  22   0.851   6.335   4.967
  134   1HG   ARG  22          2HG       ARG  22   2.931   6.222   6.356
  135   2HG   ARG  22          1HG       ARG  22   3.881   6.302   4.872
  136   1HD   ARG  22          2HD       ARG  22   3.569   8.530   4.685
  137   2HD   ARG  22          1HD       ARG  22   1.837   8.383   4.980
  138    HE   ARG  22           HE       ARG  22   2.229   8.873   7.259
  139   1HH1  ARG  22          1HH2      ARG  22   5.136   8.052   5.581
  140   2HH1  ARG  22          2HH2      ARG  22   6.173   8.510   6.889
  141   1HH2  ARG  22          1HH1      ARG  22   3.571   9.468   8.973
  142   2HH2  ARG  22          2HH1      ARG  22   5.289   9.309   8.809
  143    HA   PRO  23           HA       PRO  23  -1.942   4.019   6.370
  144   1HB   PRO  23          2HB       PRO  23  -3.756   3.906   4.308
  145   2HB   PRO  23          1HB       PRO  23  -3.180   5.421   5.025
  146   1HG   PRO  23          2HG       PRO  23  -2.449   4.181   2.409
  147   2HG   PRO  23          1HG       PRO  23  -2.457   5.890   2.878
  148   1HD   PRO  23          2HD       PRO  23  -0.169   4.251   2.694
  149   2HD   PRO  23          1HD       PRO  23  -0.258   5.824   3.512
  150    H    GLY  24           H        GLY  24  -4.012   2.375   5.533
  151   1HA   GLY  24          2HA       GLY  24  -2.625  -0.243   5.322
  152   2HA   GLY  24          1HA       GLY  24  -4.279  -0.004   5.884
  153    H    ALA  25           H        ALA  25  -3.419   1.787   3.082
  154    HA   ALA  25           HA       ALA  25  -5.434   0.620   1.467
  155   1HB   ALA  25          1HB       ALA  25  -4.517   1.896  -0.347
  156   2HB   ALA  25          2HB       ALA  25  -2.930   1.959   0.419
  157   3HB   ALA  25          3HB       ALA  25  -4.280   2.859   1.112
  158    H    GLN  26           H        GLN  26  -4.458  -0.166  -0.929
  159    HA   GLN  26           HA       GLN  26  -2.894  -2.610  -0.228
  160   1HB   GLN  26          2HB       GLN  26  -5.275  -2.148  -1.811
  161   2HB   GLN  26          1HB       GLN  26  -4.042  -3.003  -2.739
  162   1HG   GLN  26          2HG       GLN  26  -5.285  -4.698  -1.607
  163   2HG   GLN  26          1HG       GLN  26  -3.777  -4.521  -0.709
  164   1HE2  GLN  26          1HE2      GLN  26  -5.162  -5.460   1.134
  165   2HE2  GLN  26          2HE2      GLN  26  -6.093  -4.376   2.049
  166    H    CYS  27           H        CYS  27  -2.867   0.278  -2.054
  167    HA   CYS  27           HA       CYS  27  -0.177  -0.138  -2.943
  168   1HB   CYS  27          2HB       CYS  27  -1.053  -1.571  -4.622
  169   2HB   CYS  27          1HB       CYS  27  -2.383  -0.472  -4.945
  170    H    GLY  28           H        GLY  28   0.743   1.851  -3.545
  171   1HA   GLY  28          2HA       GLY  28  -1.080   4.183  -3.283
  172   2HA   GLY  28          1HA       GLY  28   0.669   4.231  -3.088
  173    H    GLU  29           H        GLU  29   0.800   2.484  -5.625
  174    HA   GLU  29           HA       GLU  29  -0.247   4.124  -7.756
  175   1HB   GLU  29          2HB       GLU  29   1.899   5.067  -8.517
  176   2HB   GLU  29          1HB       GLU  29   1.479   5.664  -6.915
  177   1HG   GLU  29          2HG       GLU  29   3.497   4.947  -6.217
  178   2HG   GLU  29          1HG       GLU  29   2.906   3.300  -6.440
  179    H    GLY  30           H        GLY  30  -0.275   2.879  -9.584
  180   1HA   GLY  30          2HA       GLY  30   1.807   1.112 -10.399
  181   2HA   GLY  30          1HA       GLY  30   0.567   0.175  -9.567
  182    H    LEU  31           H        LEU  31   0.913  -0.440 -12.177
  183    HA   LEU  31           HA       LEU  31  -0.549   1.114 -14.067
  184   1HB   LEU  31          2HB       LEU  31   0.655  -1.510 -13.956
  185   2HB   LEU  31          1HB       LEU  31  -0.846  -1.534 -14.870
  186    HG   LEU  31           HG       LEU  31   1.279  -0.987 -16.194
  187   1HD1  LEU  31          1HD1      LEU  31   0.041   0.294 -17.666
  188   2HD1  LEU  31          2HD1      LEU  31  -0.607   1.324 -16.390
  189   3HD1  LEU  31          3HD1      LEU  31  -1.258  -0.297 -16.630
  190   1HD2  LEU  31          1HD2      LEU  31   1.132   1.835 -15.476
  191   2HD2  LEU  31          2HD2      LEU  31   2.547   0.788 -15.602
  192   3HD2  LEU  31          3HD2      LEU  31   1.619   0.842 -14.103
  193    H    CYS  32           H        CYS  32  -1.623  -0.792 -11.431
  194    HA   CYS  32           HA       CYS  32  -4.425  -0.359 -12.289
  195   1HB   CYS  32          2HB       CYS  32  -3.700  -3.077 -11.234
  196   2HB   CYS  32          1HB       CYS  32  -5.086  -2.597 -12.214
  197    H    CYS  33           H        CYS  33  -3.353   1.129 -10.346
  198    HA   CYS  33           HA       CYS  33  -4.161  -0.199  -7.791
  199   1HB   CYS  33          2HB       CYS  33  -2.252   2.096  -8.305
  200   2HB   CYS  33          1HB       CYS  33  -2.792   1.616  -6.696
  201    H    GLU  34           H        GLU  34  -6.281   0.357  -7.492
  202    HA   GLU  34           HA       GLU  34  -7.468   2.799  -8.416
  203   1HB   GLU  34          2HB       GLU  34  -8.388   0.429  -7.309
  204   2HB   GLU  34          1HB       GLU  34  -8.754   1.633  -6.078
  205   1HG   GLU  34          2HG       GLU  34 -10.332   2.646  -7.360
  206   2HG   GLU  34          1HG       GLU  34  -9.358   2.506  -8.824
  207    H    GLN  35           H        GLN  35  -8.738   4.062  -6.401
  208    HA   GLN  35           HA       GLN  35  -6.746   5.706  -5.236
  209   1HB   GLN  35          2HB       GLN  35  -8.562   6.612  -3.845
  210   2HB   GLN  35          1HB       GLN  35  -9.110   6.394  -5.508
  211   1HG   GLN  35          2HG       GLN  35  -9.674   3.942  -4.390
  212   2HG   GLN  35          1HG       GLN  35 -10.004   5.044  -3.053
  213   1HE2  GLN  35          1HE2      GLN  35 -12.277   3.933  -3.896
  214   2HE2  GLN  35          2HE2      GLN  35 -13.164   4.944  -4.931
  215    H    CYS  36           H        CYS  36  -5.208   4.312  -4.207
  216    HA   CYS  36           HA       CYS  36  -4.301   3.117  -2.407
  217   1HB   CYS  36          2HB       CYS  36  -6.615   4.547  -1.083
  218   2HB   CYS  36          1HB       CYS  36  -5.459   3.568  -0.179
  219    H    LYS  37           H        LYS  37  -6.037   1.663  -4.132
  220    HA   LYS  37           HA       LYS  37  -6.720  -0.550  -2.345
  221   1HB   LYS  37          2HB       LYS  37  -8.738   1.170  -2.559
  222   2HB   LYS  37          1HB       LYS  37  -8.981   0.339  -4.096
  223   1HG   LYS  37          2HG       LYS  37 -10.269  -0.966  -2.648
  224   2HG   LYS  37          1HG       LYS  37  -8.735  -1.837  -2.644
  225   1HD   LYS  37          2HD       LYS  37  -9.500  -1.570  -0.345
  226   2HD   LYS  37          1HD       LYS  37  -8.069  -0.570  -0.597
  227   1HE   LYS  37          2HE       LYS  37  -9.216   1.309  -0.126
  228   2HE   LYS  37          1HE       LYS  37 -10.471   0.896  -1.296
  229   1HZ   LYS  37          1HZ       LYS  37 -11.678   0.781   0.603
  230   2HZ   LYS  37          2HZ       LYS  37 -10.349   0.360   1.574
  231   3HZ   LYS  37          3HZ       LYS  37 -11.094  -0.811   0.594
  232    H    PHE  38           H        PHE  38  -6.218  -2.395  -3.434
  233    HA   PHE  38           HA       PHE  38  -5.062  -2.537  -5.941
  234   1HB   PHE  38          2HB       PHE  38  -6.537  -4.485  -4.251
  235   2HB   PHE  38          1HB       PHE  38  -6.323  -4.926  -5.943
  236    HD1  PHE  38           HD1      PHE  38  -3.738  -3.689  -6.600
  237    HD2  PHE  38           HD2      PHE  38  -4.971  -5.795  -3.067
  238    HE1  PHE  38           HE1      PHE  38  -1.383  -4.317  -6.151
  239    HE2  PHE  38           HE2      PHE  38  -2.615  -6.420  -2.618
  240    HZ   PHE  38           HZ       PHE  38  -0.820  -5.682  -4.160
  241    H    SER  39           H        SER  39  -5.802  -2.048  -7.949
  242    HA   SER  39           HA       SER  39  -8.425  -1.265  -8.573
  243   1HB   SER  39          2HB       SER  39  -7.821  -1.532 -10.897
  244   2HB   SER  39          1HB       SER  39  -6.377  -0.997 -10.044
  245    HG   SER  39           HG       SER  39  -5.812  -3.258  -9.899
  246    H    ARG  40           H        ARG  40  -9.780  -2.657 -10.305
  247    HA   ARG  40           HA       ARG  40 -10.287  -5.216  -8.944
  248   1HB   ARG  40          2HB       ARG  40 -11.890  -3.291 -10.449
  249   2HB   ARG  40          1HB       ARG  40 -12.246  -4.967 -10.855
  250   1HG   ARG  40          2HG       ARG  40 -12.706  -5.503  -8.552
  251   2HG   ARG  40          1HG       ARG  40 -12.107  -3.934  -8.012
  252   1HD   ARG  40          2HD       ARG  40 -13.946  -2.934  -9.539
  253   2HD   ARG  40          1HD       ARG  40 -14.642  -4.554  -9.525
  254    HE   ARG  40           HE       ARG  40 -15.176  -4.268  -7.213
  255   1HH1  ARG  40          1HH2      ARG  40 -15.479  -1.391  -8.381
  256   2HH1  ARG  40          2HH2      ARG  40 -14.762  -0.473  -7.100
  257   1HH2  ARG  40          1HH1      ARG  40 -13.278  -3.225  -5.599
  258   2HH2  ARG  40          2HH1      ARG  40 -13.516  -1.511  -5.525
  259    H    ALA  41           H        ALA  41 -10.047  -7.205  -9.986
  260    HA   ALA  41           HA       ALA  41  -8.209  -7.556 -12.051
  261   1HB   ALA  41          1HB       ALA  41  -9.504  -9.311 -10.558
  262   2HB   ALA  41          2HB       ALA  41  -8.895  -9.788 -12.143
  263   3HB   ALA  41          3HB       ALA  41 -10.598  -9.376 -11.939
  264    H    GLY  42           H        GLY  42  -8.768  -8.422 -14.337
  265   1HA   GLY  42          2HA       GLY  42  -9.789  -8.039 -16.421
  266   2HA   GLY  42          1HA       GLY  42 -11.204  -7.473 -15.550
  267    H    LYS  43           H        LYS  43  -8.030  -6.131 -14.905
  268    HA   LYS  43           HA       LYS  43  -9.038  -3.540 -15.941
  269   1HB   LYS  43          2HB       LYS  43  -8.338  -3.418 -13.645
  270   2HB   LYS  43          1HB       LYS  43  -6.814  -4.218 -14.015
  271   1HG   LYS  43          2HG       LYS  43  -6.267  -1.909 -13.877
  272   2HG   LYS  43          1HG       LYS  43  -6.352  -2.246 -15.604
  273   1HD   LYS  43          2HD       LYS  43  -7.951  -0.683 -15.829
  274   2HD   LYS  43          1HD       LYS  43  -8.984  -1.585 -14.719
  275   1HE   LYS  43          2HE       LYS  43  -8.604  -0.125 -13.040
  276   2HE   LYS  43          1HE       LYS  43  -6.863  -0.153 -13.316
  277   1HZ   LYS  43          1HZ       LYS  43  -8.888   1.484 -14.734
  278   2HZ   LYS  43          2HZ       LYS  43  -7.279   1.331 -15.257
  279   3HZ   LYS  43          3HZ       LYS  43  -7.622   2.035 -13.749
  280    H    ILE  44           H        ILE  44  -8.214  -2.738 -17.811
  281    HA   ILE  44           HA       ILE  44  -6.080  -4.177 -19.172
  282    HB   ILE  44           HB       ILE  44  -7.847  -3.305 -20.529
  283   1HG1  ILE  44          2HG1      ILE  44  -6.581  -1.600 -21.956
  284   2HG1  ILE  44          1HG1      ILE  44  -5.280  -1.716 -20.770
  285   1HG2  ILE  44          1HG2      ILE  44  -7.447  -0.969 -18.776
  286   2HG2  ILE  44          2HG2      ILE  44  -8.920  -1.571 -19.536
  287   3HG2  ILE  44          3HG2      ILE  44  -7.792  -0.579 -20.460
  288   1HD1  ILE  44          1HD1      ILE  44  -5.736  -3.433 -22.952
  289   2HD1  ILE  44          2HD1      ILE  44  -6.192  -4.357 -21.520
  290   3HD1  ILE  44          3HD1      ILE  44  -4.574  -3.665 -21.646
  291    H    CYS  45           H        CYS  45  -4.138  -3.911 -18.106
  292    HA   CYS  45           HA       CYS  45  -3.251  -1.295 -17.138
  293   1HB   CYS  45          2HB       CYS  45  -1.129  -2.516 -16.656
  294   2HB   CYS  45          1HB       CYS  45  -2.542  -3.311 -15.966
  295    H    ARG  46           H        ARG  46  -3.254  -2.894 -20.150
  296    HA   ARG  46           HA       ARG  46  -1.518  -0.785 -21.259
  297   1HB   ARG  46          2HB       ARG  46  -0.263  -3.069 -20.587
  298   2HB   ARG  46          1HB       ARG  46  -0.853  -3.537 -22.182
  299   1HG   ARG  46          2HG       ARG  46   0.784  -2.341 -23.148
  300   2HG   ARG  46          1HG       ARG  46   0.182  -0.879 -22.367
  301   1HD   ARG  46          2HD       ARG  46   1.815  -0.914 -20.796
  302   2HD   ARG  46          1HD       ARG  46   1.647  -2.651 -20.541
  303    HE   ARG  46           HE       ARG  46   3.518  -1.355 -22.388
  304   1HH1  ARG  46          1HH2      ARG  46   2.847  -4.097 -20.622
  305   2HH1  ARG  46          2HH2      ARG  46   3.469  -5.225 -21.780
  306   1HH2  ARG  46          1HH1      ARG  46   3.873  -2.847 -24.273
  307   2HH2  ARG  46          2HH1      ARG  46   4.048  -4.518 -23.848
  308    H    ILE  47           H        ILE  47  -1.305  -2.588 -23.741
  309    HA   ILE  47           HA       ILE  47  -4.027  -3.051 -24.613
  310    HB   ILE  47           HB       ILE  47  -3.993  -0.569 -24.651
  311   1HG1  ILE  47          2HG1      ILE  47  -3.901  -1.812 -27.420
  312   2HG1  ILE  47          1HG1      ILE  47  -5.295  -1.857 -26.341
  313   1HG2  ILE  47          1HG2      ILE  47  -2.216   0.588 -25.428
  314   2HG2  ILE  47          2HG2      ILE  47  -2.190  -0.337 -26.930
  315   3HG2  ILE  47          3HG2      ILE  47  -1.356  -0.949 -25.502
  316   1HD1  ILE  47          1HD1      ILE  47  -4.934   0.763 -26.283
  317   2HD1  ILE  47          2HD1      ILE  47  -5.809   0.013 -27.618
  318   3HD1  ILE  47          3HD1      ILE  47  -4.117   0.468 -27.817
  319    H    ALA  48           H        ALA  48  -3.877  -4.576 -26.197
  320    HA   ALA  48           HA       ALA  48  -1.323  -5.421 -27.195
  321   1HB   ALA  48          1HB       ALA  48  -3.568  -6.281 -28.836
  322   2HB   ALA  48          2HB       ALA  48  -3.908  -6.481 -27.117
  323   3HB   ALA  48          3HB       ALA  48  -2.488  -7.246 -27.831
  324    H    LYS  49           H        LYS  49  -0.854  -5.561 -29.601
  325    HA   LYS  49           HA       LYS  49  -1.704  -3.045 -30.947
  326   1HB   LYS  49          2HB       LYS  49   0.825  -4.529 -31.513
  327   2HB   LYS  49          1HB       LYS  49   0.433  -2.867 -31.934
  328   1HG   LYS  49          2HG       LYS  49   0.166  -3.216 -29.090
  329   2HG   LYS  49          1HG       LYS  49   1.756  -3.788 -29.599
  330   1HD   LYS  49          2HD       LYS  49   1.350  -1.426 -31.054
  331   2HD   LYS  49          1HD       LYS  49   0.758  -1.064 -29.432
  332   1HE   LYS  49          2HE       LYS  49   3.173  -2.557 -29.155
  333   2HE   LYS  49          1HE       LYS  49   3.471  -1.265 -30.319
  334   1HZ   LYS  49          1HZ       LYS  49   2.006  -0.061 -28.372
  335   2HZ   LYS  49          2HZ       LYS  49   3.692   0.042 -28.551
  336   3HZ   LYS  49          3HZ       LYS  49   3.016  -1.105 -27.495
  337    H    GLY  50           H        GLY  50  -0.345  -6.181 -31.804
  338   1HA   GLY  50          2HA       GLY  50  -1.391  -6.222 -34.453
  339   2HA   GLY  50          1HA       GLY  50  -0.841  -7.643 -33.571
  340    H    ASP  51           H        ASP  51  -2.422  -9.132 -33.355
  341    HA   ASP  51           HA       ASP  51  -5.201  -8.193 -32.926
  342   1HB   ASP  51          2HB       ASP  51  -4.172  -9.767 -35.073
  343   2HB   ASP  51          1HB       ASP  51  -5.242 -10.776 -34.100
  344    H    TRP  52           H        TRP  52  -5.587  -8.670 -30.802
  345    HA   TRP  52           HA       TRP  52  -5.891 -11.278 -29.828
  346   1HB   TRP  52          2HB       TRP  52  -3.743 -11.091 -28.218
  347   2HB   TRP  52          1HB       TRP  52  -3.677 -11.920 -29.772
  348    HD1  TRP  52           HD1      TRP  52  -3.740  -8.109 -29.275
  349    HE1  TRP  52           HE1      TRP  52  -1.589  -7.118 -30.285
  350    HE3  TRP  52           HE3      TRP  52  -1.288 -12.410 -30.523
  351    HZ2  TRP  52           HZ2      TRP  52   0.852  -8.026 -31.462
  352    HZ3  TRP  52           HZ3      TRP  52   0.948 -12.317 -31.587
  353    HH2  TRP  52           HH2      TRP  52   2.020 -10.132 -32.059
  354    H    ASN  53           H        ASN  53  -5.886 -11.273 -27.301
  355    HA   ASN  53           HA       ASN  53  -7.468  -9.045 -26.430
  356   1HB   ASN  53          2HB       ASN  53  -7.141 -10.077 -24.138
  357   2HB   ASN  53          1HB       ASN  53  -7.784 -11.176 -25.358
  358   1HD2  ASN  53          1HD2      ASN  53  -4.678 -10.203 -23.824
  359   2HD2  ASN  53          2HD2      ASN  53  -3.931 -11.713 -24.029
  360    H    ASP  54           H        ASP  54  -6.725  -7.989 -24.172
  361    HA   ASP  54           HA       ASP  54  -4.022  -6.824 -24.676
  362   1HB   ASP  54          2HB       ASP  54  -6.098  -5.525 -22.978
  363   2HB   ASP  54          1HB       ASP  54  -4.785  -4.776 -23.876
  364    H    ASP  55           H        ASP  55  -3.324  -5.744 -22.352
  365    HA   ASP  55           HA       ASP  55  -2.881  -8.061 -20.637
  366   1HB   ASP  55          2HB       ASP  55  -2.121  -5.185 -20.199
  367   2HB   ASP  55          1HB       ASP  55  -1.481  -6.566 -19.319
  368    H    ARG  56           H        ARG  56  -3.805  -8.436 -18.628
  369    HA   ARG  56           HA       ARG  56  -5.934  -6.519 -17.735
  370   1HB   ARG  56          2HB       ARG  56  -6.310  -9.101 -18.668
  371   2HB   ARG  56          1HB       ARG  56  -6.241  -9.325 -16.922
  372   1HG   ARG  56          2HG       ARG  56  -8.536  -8.898 -17.502
  373   2HG   ARG  56          1HG       ARG  56  -7.916  -7.457 -16.699
  374   1HD   ARG  56          2HD       ARG  56  -9.229  -6.917 -18.747
  375   2HD   ARG  56          1HD       ARG  56  -7.558  -6.365 -18.850
  376    HE   ARG  56           HE       ARG  56  -7.620  -8.946 -19.984
  377   1HH1  ARG  56          1HH2      ARG  56  -6.631  -6.600 -21.503
  378   2HH1  ARG  56          2HH2      ARG  56  -7.803  -6.445 -22.769
  379   1HH2  ARG  56          1HH1      ARG  56 -10.169  -8.423 -21.182
  380   2HH2  ARG  56          2HH1      ARG  56  -9.805  -7.479 -22.589
  381    H    CYS  57           H        CYS  57  -6.107  -6.264 -15.462
  382    HA   CYS  57           HA       CYS  57  -3.708  -7.173 -13.960
  383   1HB   CYS  57          2HB       CYS  57  -5.774  -5.253 -12.897
  384   2HB   CYS  57          1HB       CYS  57  -4.069  -5.383 -12.474
  385    H    THR  58           H        THR  58  -4.026  -8.248 -11.935
  386    HA   THR  58           HA       THR  58  -6.400  -9.953 -11.894
  387    HB   THR  58           HB       THR  58  -5.278 -11.177 -10.201
  388    HG1  THR  58           HG1      THR  58  -3.252  -9.935  -9.382
  389   1HG2  THR  58          1HG2      THR  58  -3.139  -9.885 -11.919
  390   2HG2  THR  58          2HG2      THR  58  -4.120 -11.276 -12.373
  391   3HG2  THR  58          3HG2      THR  58  -2.970 -11.405 -11.044
  392    H    GLY  59           H        GLY  59  -7.273 -10.280  -9.454
  393   1HA   GLY  59          2HA       GLY  59  -8.693  -7.859  -8.821
  394   2HA   GLY  59          1HA       GLY  59  -8.696  -9.329  -7.847
  395    H    GLN  60           H        GLN  60  -5.641  -9.177  -7.800
  396    HA   GLN  60           HA       GLN  60  -5.363  -6.881  -5.904
  397   1HB   GLN  60          2HB       GLN  60  -3.888  -9.428  -5.363
  398   2HB   GLN  60          1HB       GLN  60  -4.460  -8.205  -4.231
  399   1HG   GLN  60          2HG       GLN  60  -6.202  -9.565  -3.795
  400   2HG   GLN  60          1HG       GLN  60  -6.791  -9.212  -5.419
  401   1HE2  GLN  60          1HE2      GLN  60  -7.265 -11.137  -6.485
  402   2HE2  GLN  60          2HE2      GLN  60  -6.349 -12.562  -6.382
  403    H    SER  61           H        SER  61  -4.548  -6.741  -8.570
  404    HA   SER  61           HA       SER  61  -1.586  -7.109  -8.381
  405   1HB   SER  61          2HB       SER  61  -2.585  -8.360 -10.235
  406   2HB   SER  61          1HB       SER  61  -3.373  -6.898 -10.822
  407    HG   SER  61           HG       SER  61  -0.570  -7.267 -10.527
  408    H    ALA  62           H        ALA  62  -0.493  -5.241  -8.060
  409    HA   ALA  62           HA       ALA  62  -1.831  -2.668  -8.686
  410   1HB   ALA  62          1HB       ALA  62   0.412  -1.836  -7.554
  411   2HB   ALA  62          2HB       ALA  62   0.488  -3.500  -6.975
  412   3HB   ALA  62          3HB       ALA  62  -0.894  -2.487  -6.563
  413    H    ASP  63           H        ASP  63   0.805  -4.704  -9.748
  414    HA   ASP  63           HA       ASP  63   1.707  -2.576 -11.623
  415   1HB   ASP  63          2HB       ASP  63   3.035  -5.217 -11.104
  416   2HB   ASP  63          1HB       ASP  63   3.738  -3.800 -11.872
  417    H    CYS  64           H        CYS  64   2.624  -3.883 -13.756
  418    HA   CYS  64           HA       CYS  64   0.499  -5.775 -14.623
  419   1HB   CYS  64          2HB       CYS  64  -0.318  -3.696 -15.468
  420   2HB   CYS  64          1HB       CYS  64   1.285  -3.199 -16.002
  421    HA   PRO  65           HA       PRO  65   4.241  -7.659 -16.072
  422   1HB   PRO  65          2HB       PRO  65   3.033 -10.079 -16.492
  423   2HB   PRO  65          1HB       PRO  65   3.601  -9.547 -14.909
  424   1HG   PRO  65          2HG       PRO  65   0.828  -9.792 -15.939
  425   2HG   PRO  65          1HG       PRO  65   1.404  -9.781 -14.263
  426   1HD   PRO  65          2HD       PRO  65   0.197  -7.614 -15.659
  427   2HD   PRO  65          1HD       PRO  65   0.971  -7.548 -14.062
  428    H    ARG  66           H        ARG  66   4.902  -8.497 -18.195
  429    HA   ARG  66           HA       ARG  66   3.591  -7.304 -20.415
  430   1HB   ARG  66          2HB       ARG  66   5.519  -9.646 -20.359
  431   2HB   ARG  66          1HB       ARG  66   5.076  -8.733 -21.803
  432   1HG   ARG  66          2HG       ARG  66   5.972  -6.679 -20.810
  433   2HG   ARG  66          1HG       ARG  66   6.371  -7.550 -19.329
  434   1HD   ARG  66          2HD       ARG  66   7.649  -9.131 -21.083
  435   2HD   ARG  66          1HD       ARG  66   7.714  -7.619 -21.988
  436    HE   ARG  66           HE       ARG  66   9.361  -6.920 -20.471
  437   1HH1  ARG  66          1HH1      ARG  66   7.631  -6.649 -18.117
  438   2HH1  ARG  66          2HH1      ARG  66   8.291  -7.800 -17.003
  439   1HH2  ARG  66          1HH2      ARG  66  10.062  -9.531 -19.431
  440   2HH2  ARG  66          2HH2      ARG  66   9.667  -9.432 -17.747
  441    H    TYR  67           H        TYR  67   3.188  -9.094 -22.399
  442    HA   TYR  67           HA       TYR  67   1.722 -11.443 -21.640
  443   1HB   TYR  67          2HB       TYR  67   0.296  -9.048 -21.318
  444   2HB   TYR  67          1HB       TYR  67  -0.279  -9.737 -22.834
  445    HD1  TYR  67           HD1      TYR  67  -0.450 -12.492 -22.645
  446    HD2  TYR  67           HD2      TYR  67  -0.951  -9.657 -19.455
  447    HE1  TYR  67           HE1      TYR  67  -1.804 -14.145 -21.387
  448    HE2  TYR  67           HE2      TYR  67  -2.303 -11.312 -18.197
  449    HH   TYR  67           HH       TYR  67  -2.336 -14.513 -18.821
  450    H    HIS  68           HN       HIS  68   2.215  -8.884 -24.036
  451    HA   HIS  68           HA       HIS  68   2.542 -10.978 -26.101
  452   1HB   HIS  68          2HB       HIS  68   0.418  -8.850 -26.109
  453   2HB   HIS  68          1HB       HIS  68   1.109  -9.401 -27.636
  454    HD1  HIS  68           HD1      HIS  68   0.269 -11.589 -28.549
  455    HD2  HIS  68           HD2      HIS  68  -0.785 -11.057 -24.550
  456    HE1  HIS  68           HE1      HIS  68  -1.286 -13.498 -27.958
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1  14.317   2.073  -7.751
    2   2H    GLY   1          2HT       GLY   1  15.727   2.239  -6.817
    3   3H    GLY   1          3HT       GLY   1  15.053   3.593  -7.593
    4   1HA   GLY   1          1HA       GLY   1  14.542   3.641  -5.239
    5   2HA   GLY   1          2HA       GLY   1  13.079   3.438  -6.202
    6    H    LYS   2           H        LYS   2  13.786   2.541  -3.395
    7    HA   LYS   2           HA       LYS   2  12.810  -0.230  -3.723
    8   1HB   LYS   2          2HB       LYS   2  15.424  -0.044  -3.462
    9   2HB   LYS   2          1HB       LYS   2  15.026   0.235  -1.767
   10   1HG   LYS   2          2HG       LYS   2  13.561  -1.869  -1.930
   11   2HG   LYS   2          1HG       LYS   2  14.392  -2.191  -3.453
   12   1HD   LYS   2          2HD       LYS   2  16.070  -1.539  -1.069
   13   2HD   LYS   2          1HD       LYS   2  15.325  -3.137  -1.139
   14   1HE   LYS   2          2HE       LYS   2  16.990  -3.781  -2.510
   15   2HE   LYS   2          1HE       LYS   2  16.348  -2.672  -3.722
   16   1HZ   LYS   2          1HZ       LYS   2  18.741  -2.340  -3.057
   17   2HZ   LYS   2          2HZ       LYS   2  18.164  -1.782  -1.560
   18   3HZ   LYS   2          3HZ       LYS   2  17.755  -0.962  -2.991
   19    H    GLU   3           H        GLU   3  14.085   1.676  -1.046
   20    HA   GLU   3           HA       GLU   3  11.759   1.001   0.596
   21   1HB   GLU   3          2HB       GLU   3  14.396   2.224   1.015
   22   2HB   GLU   3          1HB       GLU   3  13.120   2.865   2.046
   23   1HG   GLU   3          2HG       GLU   3  13.117  -0.075   1.772
   24   2HG   GLU   3          1HG       GLU   3  14.539   0.581   2.585
   25    H    CYS   4           H        CYS   4  10.316   2.126  -1.063
   26    HA   CYS   4           HA       CYS   4   9.374   4.628  -0.040
   27   1HB   CYS   4          2HB       CYS   4  11.307   4.709  -2.296
   28   2HB   CYS   4          1HB       CYS   4   9.885   5.723  -2.449
   29    H    ASP   5           H        ASP   5   7.808   2.616  -0.340
   30    HA   ASP   5           HA       ASP   5   6.777   1.657  -2.690
   31   1HB   ASP   5          2HB       ASP   5   5.867   1.218  -0.379
   32   2HB   ASP   5          1HB       ASP   5   4.983   2.741  -0.510
   33    H    CYS   6           H        CYS   6   6.341   4.947  -1.471
   34    HA   CYS   6           HA       CYS   6   4.981   5.601  -4.061
   35   1HB   CYS   6          2HB       CYS   6   4.592   6.710  -1.286
   36   2HB   CYS   6          1HB       CYS   6   4.102   7.621  -2.707
   37    H    SER   7           H        SER   7   5.416   7.910  -4.766
   38    HA   SER   7           HA       SER   7   8.245   8.615  -4.124
   39   1HB   SER   7          2HB       SER   7   6.813   8.346  -6.598
   40   2HB   SER   7          1HB       SER   7   7.391  10.000  -6.433
   41    HG   SER   7           HG       SER   7   9.260   9.211  -6.959
   42    H    SER   8           H        SER   8   5.281   9.496  -3.167
   43    HA   SER   8           HA       SER   8   6.074  12.368  -2.950
   44   1HB   SER   8          2HB       SER   8   3.278  12.323  -2.851
   45   2HB   SER   8          1HB       SER   8   4.268  12.895  -4.191
   46    HG   SER   8           HG       SER   8   2.667  11.141  -4.595
   47    HA   PRO   9           HA       PRO   9   5.382  11.581   1.345
   48   1HB   PRO   9          2HB       PRO   9   5.537  14.192   2.182
   49   2HB   PRO   9          1HB       PRO   9   6.952  13.225   1.732
   50   1HG   PRO   9          2HG       PRO   9   5.624  15.422   0.219
   51   2HG   PRO   9          1HG       PRO   9   7.304  14.866   0.147
   52   1HD   PRO   9          2HD       PRO   9   5.266  14.259  -1.729
   53   2HD   PRO   9          1HD       PRO   9   6.858  13.478  -1.619
   54    H    GLU  10           H        GLU  10   3.475  14.061  -0.345
   55    HA   GLU  10           HA       GLU  10   1.448  14.180   1.758
   56   1HB   GLU  10          2HB       GLU  10   0.281  15.697   0.283
   57   2HB   GLU  10          1HB       GLU  10   1.999  16.093   0.205
   58   1HG   GLU  10          2HG       GLU  10   1.378  14.046  -1.733
   59   2HG   GLU  10          1HG       GLU  10   0.305  15.429  -1.954
   60    H    ASN  11           H        ASN  11   2.090  12.138  -0.920
   61    HA   ASN  11           HA       ASN  11  -0.524  11.384  -1.706
   62   1HB   ASN  11          2HB       ASN  11   1.631  10.717  -2.833
   63   2HB   ASN  11          1HB       ASN  11   1.884   9.556  -1.529
   64   1HD2  ASN  11          1HD2      ASN  11   1.669   8.426  -4.027
   65   2HD2  ASN  11          2HD2      ASN  11   0.150   7.698  -4.237
   66    HA   PRO  12           HA       PRO  12  -1.651   9.327   2.124
   67   1HB   PRO  12          2HB       PRO  12  -4.280   8.953   1.417
   68   2HB   PRO  12          1HB       PRO  12  -3.645  10.491   2.028
   69   1HG   PRO  12          2HG       PRO  12  -4.429   9.762  -0.750
   70   2HG   PRO  12          1HG       PRO  12  -4.362  11.357   0.015
   71   1HD   PRO  12          2HD       PRO  12  -2.431  10.258  -1.766
   72   2HD   PRO  12          1HD       PRO  12  -2.258  11.741  -0.803
   73    H    CYS  13           H        CYS  13  -0.295   7.797   0.139
   74    HA   CYS  13           HA       CYS  13  -1.920   5.284   0.052
   75   1HB   CYS  13          2HB       CYS  13  -0.577   6.768  -2.049
   76   2HB   CYS  13          1HB       CYS  13   0.064   5.138  -1.918
   77    H    CYS  14           H        CYS  14   1.202   6.806   0.619
   78    HA   CYS  14           HA       CYS  14   2.117   4.225   1.807
   79   1HB   CYS  14          2HB       CYS  14   3.812   6.125   0.182
   80   2HB   CYS  14          1HB       CYS  14   4.355   4.620   0.904
   81    H    ASP  15           H        ASP  15   2.778   4.470   3.864
   82    HA   ASP  15           HA       ASP  15   2.676   6.697   5.460
   83   1HB   ASP  15          2HB       ASP  15   3.435   4.194   5.894
   84   2HB   ASP  15          1HB       ASP  15   5.029   4.916   5.779
   85    H    ALA  16           H        ALA  16   3.677   8.672   5.353
   86    HA   ALA  16           HA       ALA  16   5.884   9.099   3.521
   87   1HB   ALA  16          1HB       ALA  16   3.934  10.718   4.245
   88   2HB   ALA  16          2HB       ALA  16   5.527  11.369   3.858
   89   3HB   ALA  16          3HB       ALA  16   5.050  11.146   5.541
   90    H    ALA  17           H        ALA  17   5.834   7.854   6.599
   91    HA   ALA  17           HA       ALA  17   8.353   9.201   7.426
   92   1HB   ALA  17          1HB       ALA  17   6.448   8.888   9.059
   93   2HB   ALA  17          2HB       ALA  17   7.992   8.224   9.597
   94   3HB   ALA  17          3HB       ALA  17   6.742   7.150   8.966
   95    H    THR  18           H        THR  18   7.119   6.112   6.321
   96    HA   THR  18           HA       THR  18   9.883   4.988   6.554
   97    HB   THR  18           HB       THR  18   8.880   2.790   6.659
   98    HG1  THR  18           HG1      THR  18   6.464   2.821   6.706
   99   1HG2  THR  18          1HG2      THR  18   8.209   4.895   8.525
  100   2HG2  THR  18          2HG2      THR  18   8.613   3.211   8.854
  101   3HG2  THR  18          3HG2      THR  18   6.945   3.664   8.506
  102    H    CYS  19           H        CYS  19   8.170   6.531   4.364
  103    HA   CYS  19           HA       CYS  19   7.827   6.354   2.037
  104   1HB   CYS  19          2HB       CYS  19  10.548   6.176   2.638
  105   2HB   CYS  19          1HB       CYS  19  10.258   4.888   1.498
  106    H    LYS  20           H        LYS  20   6.199   4.589   2.781
  107    HA   LYS  20           HA       LYS  20   6.492   2.359   0.951
  108   1HB   LYS  20          2HB       LYS  20   7.185   2.037   3.778
  109   2HB   LYS  20          1HB       LYS  20   5.958   0.893   3.222
  110   1HG   LYS  20          2HG       LYS  20   8.193   1.283   1.347
  111   2HG   LYS  20          1HG       LYS  20   8.659   0.560   2.887
  112   1HD   LYS  20          2HD       LYS  20   6.188  -0.516   1.642
  113   2HD   LYS  20          1HD       LYS  20   7.700  -0.891   0.813
  114   1HE   LYS  20          2HE       LYS  20   7.498  -2.655   2.352
  115   2HE   LYS  20          1HE       LYS  20   8.572  -1.530   3.183
  116   1HZ   LYS  20          1HZ       LYS  20   5.765  -1.032   3.613
  117   2HZ   LYS  20          2HZ       LYS  20   7.045  -1.093   4.731
  118   3HZ   LYS  20          3HZ       LYS  20   6.296  -2.528   4.212
  119    H    LEU  21           H        LEU  21   4.432   1.052   0.956
  120    HA   LEU  21           HA       LEU  21   2.145   2.614   0.917
  121   1HB   LEU  21          2HB       LEU  21   2.619  -0.288   1.229
  122   2HB   LEU  21          1HB       LEU  21   1.041   0.287   1.769
  123    HG   LEU  21           HG       LEU  21   2.236   0.875  -0.954
  124   1HD1  LEU  21          1HD1      LEU  21   1.591  -1.251  -1.412
  125   2HD1  LEU  21          2HD1      LEU  21  -0.053  -0.616  -1.322
  126   3HD1  LEU  21          3HD1      LEU  21   0.676  -1.381   0.091
  127   1HD2  LEU  21          1HD2      LEU  21  -0.434   1.310  -1.131
  128   2HD2  LEU  21          2HD2      LEU  21   0.747   2.573  -0.781
  129   3HD2  LEU  21          3HD2      LEU  21  -0.132   1.797   0.537
  130    H    ARG  22           H        ARG  22   0.199   2.251   2.381
  131    HA   ARG  22           HA       ARG  22   1.056   2.465   5.228
  132   1HB   ARG  22          2HB       ARG  22  -0.431   4.308   3.602
  133   2HB   ARG  22          1HB       ARG  22  -1.511   3.658   4.835
  134   1HG   ARG  22          2HG       ARG  22   0.696   4.108   6.342
  135   2HG   ARG  22          1HG       ARG  22   0.881   5.385   5.139
  136   1HD   ARG  22          2HD       ARG  22  -1.842   5.423   5.820
  137   2HD   ARG  22          1HD       ARG  22  -0.992   5.215   7.352
  138    HE   ARG  22           HE       ARG  22   0.414   7.249   6.505
  139   1HH1  ARG  22          1HH2      ARG  22  -1.859   7.124   4.243
  140   2HH1  ARG  22          2HH2      ARG  22  -2.729   8.555   4.682
  141   1HH2  ARG  22          1HH1      ARG  22  -1.153   8.887   7.755
  142   2HH2  ARG  22          2HH1      ARG  22  -2.330   9.553   6.672
  143    HA   PRO  23           HA       PRO  23  -1.444  -1.134   5.718
  144   1HB   PRO  23          2HB       PRO  23  -1.917  -0.852   8.430
  145   2HB   PRO  23          1HB       PRO  23  -0.415  -1.496   7.742
  146   1HG   PRO  23          2HG       PRO  23  -0.967   1.260   8.816
  147   2HG   PRO  23          1HG       PRO  23   0.521   0.296   8.912
  148   1HD   PRO  23          2HD       PRO  23   0.204   2.349   7.090
  149   2HD   PRO  23          1HD       PRO  23   1.236   0.939   6.796
  150    H    GLY  24           H        GLY  24  -3.126  -0.118   4.413
  151   1HA   GLY  24          2HA       GLY  24  -5.682  -0.064   5.620
  152   2HA   GLY  24          1HA       GLY  24  -5.159   1.610   5.397
  153    H    ALA  25           H        ALA  25  -3.605   1.212   3.073
  154    HA   ALA  25           HA       ALA  25  -5.722   0.916   1.055
  155   1HB   ALA  25          1HB       ALA  25  -4.207   2.918   1.069
  156   2HB   ALA  25          2HB       ALA  25  -4.162   2.017  -0.447
  157   3HB   ALA  25          3HB       ALA  25  -2.857   1.836   0.726
  158    H    GLN  26           H        GLN  26  -4.044   0.215  -1.122
  159    HA   GLN  26           HA       GLN  26  -2.811  -2.366  -0.375
  160   1HB   GLN  26          2HB       GLN  26  -5.410  -2.079  -1.657
  161   2HB   GLN  26          1HB       GLN  26  -4.300  -3.071  -2.600
  162   1HG   GLN  26          2HG       GLN  26  -4.420  -4.768  -1.115
  163   2HG   GLN  26          1HG       GLN  26  -4.165  -3.681   0.250
  164   1HE2  GLN  26          1HE2      GLN  26  -6.821  -3.953  -2.186
  165   2HE2  GLN  26          2HE2      GLN  26  -8.063  -4.044  -1.032
  166    H    CYS  27           H        CYS  27  -2.357   0.416  -1.840
  167    HA   CYS  27           HA       CYS  27  -0.202  -0.435  -3.466
  168   1HB   CYS  27          2HB       CYS  27  -1.047  -0.183  -5.705
  169   2HB   CYS  27          1HB       CYS  27  -2.125  -1.302  -4.872
  170    H    GLY  28           H        GLY  28   1.028   1.362  -4.074
  171   1HA   GLY  28          2HA       GLY  28  -0.172   4.000  -3.358
  172   2HA   GLY  28          1HA       GLY  28   1.537   3.621  -3.198
  173    H    GLU  29           H        GLU  29   1.175   2.161  -5.926
  174    HA   GLU  29           HA       GLU  29   0.514   4.106  -7.890
  175   1HB   GLU  29          2HB       GLU  29   2.963   4.634  -8.529
  176   2HB   GLU  29          1HB       GLU  29   2.277   5.501  -7.160
  177   1HG   GLU  29          2HG       GLU  29   3.908   4.693  -5.844
  178   2HG   GLU  29          1HG       GLU  29   3.342   3.055  -6.167
  179    H    GLY  30           H        GLY  30   0.027   2.693  -9.490
  180   1HA   GLY  30          2HA       GLY  30   2.035   0.992 -10.663
  181   2HA   GLY  30          1HA       GLY  30   0.859   0.046  -9.750
  182    H    LEU  31           H        LEU  31   0.931  -0.422 -12.434
  183    HA   LEU  31           HA       LEU  31  -0.725   1.283 -14.024
  184   1HB   LEU  31          2HB       LEU  31   0.520  -1.309 -14.285
  185   2HB   LEU  31          1HB       LEU  31  -1.076  -1.291 -15.027
  186    HG   LEU  31           HG       LEU  31   1.149   0.703 -15.545
  187   1HD1  LEU  31          1HD1      LEU  31   1.302  -0.317 -17.736
  188   2HD1  LEU  31          2HD1      LEU  31  -0.070  -1.369 -17.391
  189   3HD1  LEU  31          3HD1      LEU  31   1.453  -1.594 -16.530
  190   1HD2  LEU  31          1HD2      LEU  31  -1.737   0.533 -16.355
  191   2HD2  LEU  31          2HD2      LEU  31  -0.572   1.215 -17.490
  192   3HD2  LEU  31          3HD2      LEU  31  -0.789   1.948 -15.900
  193    H    CYS  32           H        CYS  32  -1.458  -1.532 -11.989
  194    HA   CYS  32           HA       CYS  32  -4.360  -0.998 -12.451
  195   1HB   CYS  32          2HB       CYS  32  -3.931  -3.413 -10.948
  196   2HB   CYS  32          1HB       CYS  32  -4.656  -3.229 -12.540
  197    H    CYS  33           H        CYS  33  -3.155   0.797 -10.779
  198    HA   CYS  33           HA       CYS  33  -4.036  -0.120  -8.069
  199   1HB   CYS  33          2HB       CYS  33  -1.688   0.216  -7.893
  200   2HB   CYS  33          1HB       CYS  33  -1.739   1.671  -8.884
  201    H    GLU  34           H        GLU  34  -5.938   0.854  -7.607
  202    HA   GLU  34           HA       GLU  34  -6.645   3.416  -8.880
  203   1HB   GLU  34          2HB       GLU  34  -8.849   3.047  -7.989
  204   2HB   GLU  34          1HB       GLU  34  -8.277   1.497  -8.607
  205   1HG   GLU  34          2HG       GLU  34  -8.552   0.587  -6.571
  206   2HG   GLU  34          1HG       GLU  34  -7.388   1.734  -5.905
  207    H    GLN  35           H        GLN  35  -8.250   4.450  -6.767
  208    HA   GLN  35           HA       GLN  35  -6.384   6.087  -5.412
  209   1HB   GLN  35          2HB       GLN  35  -9.210   5.373  -4.571
  210   2HB   GLN  35          1HB       GLN  35  -8.279   6.748  -3.975
  211   1HG   GLN  35          2HG       GLN  35  -8.551   7.945  -5.905
  212   2HG   GLN  35          1HG       GLN  35  -8.480   6.507  -6.926
  213   1HE2  GLN  35          1HE2      GLN  35 -10.546   8.810  -6.683
  214   2HE2  GLN  35          2HE2      GLN  35 -12.029   8.001  -6.531
  215    H    CYS  36           H        CYS  36  -4.782   4.795  -4.434
  216    HA   CYS  36           HA       CYS  36  -3.859   3.310  -2.854
  217   1HB   CYS  36          2HB       CYS  36  -5.943   4.779  -1.203
  218   2HB   CYS  36          1HB       CYS  36  -4.615   3.832  -0.535
  219    H    LYS  37           H        LYS  37  -5.626   1.934  -4.432
  220    HA   LYS  37           HA       LYS  37  -6.533  -0.137  -2.547
  221   1HB   LYS  37          2HB       LYS  37  -8.395   1.759  -3.382
  222   2HB   LYS  37          1HB       LYS  37  -8.657   0.405  -4.481
  223   1HG   LYS  37          2HG       LYS  37 -10.034   0.177  -2.438
  224   2HG   LYS  37          1HG       LYS  37  -8.855  -1.128  -2.566
  225   1HD   LYS  37          2HD       LYS  37  -7.502  -0.251  -0.869
  226   2HD   LYS  37          1HD       LYS  37  -8.154   1.377  -1.057
  227   1HE   LYS  37          2HE       LYS  37  -8.920  -0.045   0.993
  228   2HE   LYS  37          1HE       LYS  37 -10.135   0.857   0.087
  229   1HZ   LYS  37          1HZ       LYS  37 -10.802  -1.074  -1.047
  230   2HZ   LYS  37          2HZ       LYS  37 -10.671  -1.534   0.583
  231   3HZ   LYS  37          3HZ       LYS  37  -9.454  -1.960  -0.523
  232    H    PHE  38           H        PHE  38  -6.316  -2.150  -3.490
  233    HA   PHE  38           HA       PHE  38  -4.886  -2.488  -5.900
  234   1HB   PHE  38          2HB       PHE  38  -6.485  -4.260  -4.128
  235   2HB   PHE  38          1HB       PHE  38  -6.206  -4.845  -5.766
  236    HD1  PHE  38           HD1      PHE  38  -3.561  -3.731  -6.399
  237    HD2  PHE  38           HD2      PHE  38  -5.007  -5.499  -2.762
  238    HE1  PHE  38           HE1      PHE  38  -1.245  -4.376  -5.793
  239    HE2  PHE  38           HE2      PHE  38  -2.690  -6.143  -2.154
  240    HZ   PHE  38           HZ       PHE  38  -0.809  -5.582  -3.670
  241    H    SER  39           H        SER  39  -5.588  -1.827  -7.892
  242    HA   SER  39           HA       SER  39  -8.196  -1.223  -8.674
  243   1HB   SER  39          2HB       SER  39  -7.467  -1.476 -10.963
  244   2HB   SER  39          1HB       SER  39  -6.092  -0.870 -10.044
  245    HG   SER  39           HG       SER  39  -6.551  -3.381 -11.173
  246    H    ARG  40           H        ARG  40  -9.613  -2.576 -10.207
  247    HA   ARG  40           HA       ARG  40  -9.991  -5.193  -8.973
  248   1HB   ARG  40          2HB       ARG  40 -11.550  -3.766 -11.108
  249   2HB   ARG  40          1HB       ARG  40 -12.029  -5.292 -10.380
  250   1HG   ARG  40          2HG       ARG  40 -12.739  -4.295  -8.465
  251   2HG   ARG  40          1HG       ARG  40 -11.382  -3.167  -8.442
  252   1HD   ARG  40          2HD       ARG  40 -12.896  -1.598  -9.048
  253   2HD   ARG  40          1HD       ARG  40 -12.816  -2.333 -10.649
  254    HE   ARG  40           HE       ARG  40 -14.757  -3.515  -8.760
  255   1HH1  ARG  40          1HH1      ARG  40 -14.165  -1.073 -11.098
  256   2HH1  ARG  40          2HH1      ARG  40 -15.737  -1.185 -11.816
  257   1HH2  ARG  40          1HH2      ARG  40 -16.757  -3.824  -9.812
  258   2HH2  ARG  40          2HH2      ARG  40 -17.207  -2.743 -11.087
  259    H    ALA  41           H        ALA  41  -9.852  -7.181 -10.093
  260    HA   ALA  41           HA       ALA  41  -7.802  -7.470 -12.002
  261   1HB   ALA  41          1HB       ALA  41  -8.219  -9.599 -11.360
  262   2HB   ALA  41          2HB       ALA  41  -9.569  -9.592 -12.494
  263   3HB   ALA  41          3HB       ALA  41  -9.837  -9.172 -10.802
  264    H    GLY  42           H        GLY  42  -8.691  -8.844 -14.195
  265   1HA   GLY  42          2HA       GLY  42  -9.393  -8.331 -16.388
  266   2HA   GLY  42          1HA       GLY  42 -10.919  -7.923 -15.602
  267    H    LYS  43           H        LYS  43  -8.003  -6.214 -14.738
  268    HA   LYS  43           HA       LYS  43  -9.213  -3.739 -15.792
  269   1HB   LYS  43          2HB       LYS  43  -8.451  -3.409 -13.595
  270   2HB   LYS  43          1HB       LYS  43  -6.991  -4.350 -13.862
  271   1HG   LYS  43          2HG       LYS  43  -6.312  -2.052 -13.792
  272   2HG   LYS  43          1HG       LYS  43  -6.254  -2.528 -15.487
  273   1HD   LYS  43          2HD       LYS  43  -7.920  -1.102 -16.061
  274   2HD   LYS  43          1HD       LYS  43  -8.880  -1.515 -14.639
  275   1HE   LYS  43          2HE       LYS  43  -8.279   0.762 -14.322
  276   2HE   LYS  43          1HE       LYS  43  -7.171  -0.146 -13.293
  277   1HZ   LYS  43          1HZ       LYS  43  -6.640   1.116 -15.909
  278   2HZ   LYS  43          2HZ       LYS  43  -5.641  -0.123 -15.312
  279   3HZ   LYS  43          3HZ       LYS  43  -5.813   1.327 -14.443
  280    H    ILE  44           H        ILE  44  -8.514  -2.816 -17.679
  281    HA   ILE  44           HA       ILE  44  -6.416  -4.146 -19.200
  282    HB   ILE  44           HB       ILE  44  -8.260  -3.277 -20.450
  283   1HG1  ILE  44          2HG1      ILE  44  -7.125  -1.452 -21.852
  284   2HG1  ILE  44          1HG1      ILE  44  -5.764  -1.586 -20.738
  285   1HG2  ILE  44          1HG2      ILE  44  -9.376  -1.605 -19.422
  286   2HG2  ILE  44          2HG2      ILE  44  -8.246  -0.528 -20.244
  287   3HG2  ILE  44          3HG2      ILE  44  -7.931  -1.039 -18.585
  288   1HD1  ILE  44          1HD1      ILE  44  -6.191  -4.212 -21.295
  289   2HD1  ILE  44          2HD1      ILE  44  -5.069  -3.197 -22.200
  290   3HD1  ILE  44          3HD1      ILE  44  -6.696  -3.480 -22.817
  291    H    CYS  45           H        CYS  45  -4.496  -3.870 -18.104
  292    HA   CYS  45           HA       CYS  45  -3.575  -1.250 -17.193
  293   1HB   CYS  45          2HB       CYS  45  -1.409  -2.539 -16.816
  294   2HB   CYS  45          1HB       CYS  45  -2.813  -3.123 -15.930
  295    H    ARG  46           H        ARG  46  -3.523  -2.972 -20.160
  296    HA   ARG  46           HA       ARG  46  -2.038  -0.810 -21.438
  297   1HB   ARG  46          2HB       ARG  46  -0.659  -3.241 -20.605
  298   2HB   ARG  46          1HB       ARG  46  -0.560  -2.997 -22.350
  299   1HG   ARG  46          2HG       ARG  46   0.571  -0.976 -22.142
  300   2HG   ARG  46          1HG       ARG  46  -0.075  -0.663 -20.531
  301   1HD   ARG  46          2HD       ARG  46   2.307  -1.257 -20.395
  302   2HD   ARG  46          1HD       ARG  46   1.320  -2.498 -19.625
  303    HE   ARG  46           HE       ARG  46   1.615  -3.380 -22.246
  304   1HH1  ARG  46          1HH2      ARG  46   2.763  -4.857 -19.913
  305   2HH1  ARG  46          2HH2      ARG  46   4.459  -4.837 -20.265
  306   1HH2  ARG  46          1HH1      ARG  46   4.211  -2.296 -22.612
  307   2HH2  ARG  46          2HH1      ARG  46   5.279  -3.386 -21.793
  308    H    ILE  47           H        ILE  47  -3.501  -0.545 -23.076
  309    HA   ILE  47           HA       ILE  47  -4.953  -2.760 -24.254
  310    HB   ILE  47           HB       ILE  47  -5.916  -0.502 -24.203
  311   1HG1  ILE  47          2HG1      ILE  47  -6.563  -0.344 -26.601
  312   2HG1  ILE  47          1HG1      ILE  47  -5.273  -1.478 -27.005
  313   1HG2  ILE  47          1HG2      ILE  47  -4.027   0.418 -26.334
  314   2HG2  ILE  47          2HG2      ILE  47  -3.469   0.453 -24.661
  315   3HG2  ILE  47          3HG2      ILE  47  -4.906   1.362 -25.129
  316   1HD1  ILE  47          1HD1      ILE  47  -7.449  -2.131 -25.008
  317   2HD1  ILE  47          2HD1      ILE  47  -6.306  -3.242 -25.762
  318   3HD1  ILE  47          3HD1      ILE  47  -7.589  -2.507 -26.725
  319    H    ALA  48           H        ALA  48  -4.005  -4.200 -25.609
  320    HA   ALA  48           HA       ALA  48  -1.457  -4.029 -26.738
  321   1HB   ALA  48          1HB       ALA  48  -3.150  -5.398 -28.603
  322   2HB   ALA  48          2HB       ALA  48  -3.696  -5.772 -26.968
  323   3HB   ALA  48          3HB       ALA  48  -2.025  -6.089 -27.436
  324    H    LYS  49           H        LYS  49  -0.781  -3.620 -28.971
  325    HA   LYS  49           HA       LYS  49  -2.477  -1.570 -30.310
  326   1HB   LYS  49          2HB       LYS  49   0.477  -1.663 -30.632
  327   2HB   LYS  49          1HB       LYS  49  -0.605  -0.286 -30.806
  328   1HG   LYS  49          2HG       LYS  49  -0.973  -1.094 -28.166
  329   2HG   LYS  49          1HG       LYS  49   0.763  -1.277 -28.422
  330   1HD   LYS  49          2HD       LYS  49   0.443   0.979 -27.699
  331   2HD   LYS  49          1HD       LYS  49   0.730   1.062 -29.438
  332   1HE   LYS  49          2HE       LYS  49  -1.174   2.487 -28.835
  333   2HE   LYS  49          1HE       LYS  49  -1.720   1.132 -29.823
  334   1HZ   LYS  49          1HZ       LYS  49  -2.568   0.029 -27.959
  335   2HZ   LYS  49          2HZ       LYS  49  -3.051   1.645 -27.754
  336   3HZ   LYS  49          3HZ       LYS  49  -1.741   1.029 -26.866
  337    H    GLY  50           H        GLY  50   0.270  -3.649 -31.055
  338   1HA   GLY  50          2HA       GLY  50  -0.243  -3.853 -33.835
  339   2HA   GLY  50          1HA       GLY  50   0.706  -5.015 -32.911
  340    H    ASP  51           H        ASP  51  -0.139  -7.036 -32.832
  341    HA   ASP  51           HA       ASP  51  -3.077  -7.360 -32.965
  342   1HB   ASP  51          2HB       ASP  51  -1.351  -7.962 -35.072
  343   2HB   ASP  51          1HB       ASP  51  -1.679  -9.511 -34.299
  344    H    TRP  52           H        TRP  52  -3.540  -8.241 -31.008
  345    HA   TRP  52           HA       TRP  52  -2.696 -10.858 -30.290
  346   1HB   TRP  52          2HB       TRP  52  -1.497  -9.686 -28.082
  347   2HB   TRP  52          1HB       TRP  52  -0.643 -10.454 -29.417
  348    HD1  TRP  52           HD1      TRP  52  -2.382  -6.999 -29.211
  349    HE1  TRP  52           HE1      TRP  52  -0.689  -5.206 -29.953
  350    HE3  TRP  52           HE3      TRP  52   1.725  -9.933 -29.988
  351    HZ2  TRP  52           HZ2      TRP  52   2.043  -5.033 -30.768
  352    HZ3  TRP  52           HZ3      TRP  52   3.860  -8.928 -30.747
  353    HH2  TRP  52           HH2      TRP  52   4.025  -6.484 -31.138
  354    H    ASN  53           H        ASN  53  -2.945 -10.807 -27.534
  355    HA   ASN  53           HA       ASN  53  -5.764  -9.965 -27.266
  356   1HB   ASN  53          2HB       ASN  53  -4.092 -12.025 -26.131
  357   2HB   ASN  53          1HB       ASN  53  -4.829 -11.081 -24.837
  358   1HD2  ASN  53          1HD2      ASN  53  -6.315 -12.849 -24.293
  359   2HD2  ASN  53          2HD2      ASN  53  -7.625 -13.231 -25.301
  360    H    ASP  54           H        ASP  54  -6.439  -8.769 -25.295
  361    HA   ASP  54           HA       ASP  54  -4.752  -6.446 -24.871
  362   1HB   ASP  54          2HB       ASP  54  -6.567  -5.905 -23.130
  363   2HB   ASP  54          1HB       ASP  54  -7.097  -6.044 -24.807
  364    H    ASP  55           H        ASP  55  -4.692  -5.771 -22.321
  365    HA   ASP  55           HA       ASP  55  -3.425  -8.082 -20.908
  366   1HB   ASP  55          2HB       ASP  55  -2.231  -5.678 -21.741
  367   2HB   ASP  55          1HB       ASP  55  -2.463  -5.520 -20.003
  368    H    ARG  56           H        ARG  56  -4.664  -8.625 -19.184
  369    HA   ARG  56           HA       ARG  56  -6.242  -6.491 -17.830
  370   1HB   ARG  56          2HB       ARG  56  -6.568  -9.475 -17.698
  371   2HB   ARG  56          1HB       ARG  56  -7.655  -8.280 -17.005
  372   1HG   ARG  56          2HG       ARG  56  -7.090  -7.895 -19.873
  373   2HG   ARG  56          1HG       ARG  56  -7.957  -9.385 -19.498
  374   1HD   ARG  56          2HD       ARG  56  -9.050  -7.229 -17.938
  375   2HD   ARG  56          1HD       ARG  56  -9.021  -6.761 -19.635
  376    HE   ARG  56           HE       ARG  56 -10.958  -8.444 -18.614
  377   1HH1  ARG  56          1HH1      ARG  56  -9.507  -7.903 -21.519
  378   2HH1  ARG  56          2HH1      ARG  56  -9.792  -9.473 -22.190
  379   1HH2  ARG  56          1HH2      ARG  56 -10.846 -10.854 -19.188
  380   2HH2  ARG  56          2HH2      ARG  56 -10.552 -11.146 -20.870
  381    H    CYS  57           H        CYS  57  -6.165  -6.352 -15.530
  382    HA   CYS  57           HA       CYS  57  -3.711  -7.557 -14.344
  383   1HB   CYS  57          2HB       CYS  57  -5.389  -5.149 -13.651
  384   2HB   CYS  57          1HB       CYS  57  -4.344  -5.884 -12.441
  385    H    THR  58           H        THR  58  -3.996  -8.329 -12.038
  386    HA   THR  58           HA       THR  58  -6.450  -9.949 -11.863
  387    HB   THR  58           HB       THR  58  -5.342 -11.173 -10.161
  388    HG1  THR  58           HG1      THR  58  -4.167 -10.187  -8.746
  389   1HG2  THR  58          1HG2      THR  58  -4.287 -11.275 -12.468
  390   2HG2  THR  58          2HG2      THR  58  -3.231 -11.750 -11.138
  391   3HG2  THR  58          3HG2      THR  58  -3.064 -10.154 -11.870
  392    H    GLY  59           H        GLY  59  -7.344 -10.087  -9.458
  393   1HA   GLY  59          2HA       GLY  59  -8.164  -7.337  -8.779
  394   2HA   GLY  59          1HA       GLY  59  -8.860  -8.816  -8.118
  395    H    GLN  60           H        GLN  60  -5.446  -8.798  -8.123
  396    HA   GLN  60           HA       GLN  60  -5.298  -7.662  -5.386
  397   1HB   GLN  60          2HB       GLN  60  -4.630 -10.505  -6.160
  398   2HB   GLN  60          1HB       GLN  60  -3.914  -9.736  -4.743
  399   1HG   GLN  60          2HG       GLN  60  -6.148  -9.284  -3.831
  400   2HG   GLN  60          1HG       GLN  60  -6.890  -9.996  -5.263
  401   1HE2  GLN  60          1HE2      GLN  60  -6.494 -10.787  -2.172
  402   2HE2  GLN  60          2HE2      GLN  60  -6.158 -12.447  -2.288
  403    H    SER  61           H        SER  61  -4.211  -7.246  -8.282
  404    HA   SER  61           HA       SER  61  -1.334  -7.069  -7.471
  405   1HB   SER  61          2HB       SER  61  -2.000  -8.630  -9.433
  406   2HB   SER  61          1HB       SER  61  -2.282  -7.143 -10.335
  407    HG   SER  61           HG       SER  61  -0.098  -8.110 -10.428
  408    H    ALA  62           H        ALA  62  -0.268  -5.094  -7.925
  409    HA   ALA  62           HA       ALA  62  -2.108  -2.850  -8.636
  410   1HB   ALA  62          1HB       ALA  62   0.416  -2.960  -6.974
  411   2HB   ALA  62          2HB       ALA  62  -1.203  -2.490  -6.457
  412   3HB   ALA  62          3HB       ALA  62  -0.282  -1.438  -7.531
  413    H    ASP  63           H        ASP  63   0.506  -4.691  -9.778
  414    HA   ASP  63           HA       ASP  63   1.251  -2.527 -11.701
  415   1HB   ASP  63          2HB       ASP  63   2.930  -4.952 -11.283
  416   2HB   ASP  63          1HB       ASP  63   3.422  -3.339 -11.780
  417    H    CYS  64           H        CYS  64   2.017  -3.551 -13.879
  418    HA   CYS  64           HA       CYS  64   0.142  -5.779 -14.563
  419   1HB   CYS  64          2HB       CYS  64  -0.664  -3.685 -15.512
  420   2HB   CYS  64          1HB       CYS  64   0.913  -3.365 -16.230
  421    HA   PRO  65           HA       PRO  65   3.889  -7.714 -15.840
  422   1HB   PRO  65          2HB       PRO  65   2.661 -10.055 -16.544
  423   2HB   PRO  65          1HB       PRO  65   3.057  -9.635 -14.877
  424   1HG   PRO  65          2HG       PRO  65   0.417  -9.692 -16.244
  425   2HG   PRO  65          1HG       PRO  65   0.788  -9.829 -14.517
  426   1HD   PRO  65          2HD       PRO  65  -0.179  -7.520 -15.847
  427   2HD   PRO  65          1HD       PRO  65   0.453  -7.597 -14.189
  428    H    ARG  66           H        ARG  66   4.613  -8.856 -17.904
  429    HA   ARG  66           HA       ARG  66   3.402  -7.516 -20.225
  430   1HB   ARG  66          2HB       ARG  66   5.910  -9.206 -20.111
  431   2HB   ARG  66          1HB       ARG  66   5.434  -8.101 -21.400
  432   1HG   ARG  66          2HG       ARG  66   6.257  -6.314 -20.294
  433   2HG   ARG  66          1HG       ARG  66   5.451  -6.786 -18.799
  434   1HD   ARG  66          2HD       ARG  66   7.463  -7.370 -17.976
  435   2HD   ARG  66          1HD       ARG  66   7.513  -8.669 -19.168
  436    HE   ARG  66           HE       ARG  66   8.373  -6.465 -20.592
  437   1HH1  ARG  66          1HH1      ARG  66   9.287  -8.210 -17.767
  438   2HH1  ARG  66          2HH1      ARG  66  10.916  -7.624 -17.769
  439   1HH2  ARG  66          1HH2      ARG  66  10.462  -5.579 -20.531
  440   2HH2  ARG  66          2HH2      ARG  66  11.581  -6.137 -19.333
  441    H    TYR  67           H        TYR  67   1.733  -8.655 -21.133
  442    HA   TYR  67           HA       TYR  67   2.161 -11.549 -21.591
  443   1HB   TYR  67          2HB       TYR  67   0.475 -11.079 -19.786
  444   2HB   TYR  67          1HB       TYR  67  -0.496 -10.285 -21.017
  445    HD1  TYR  67           HD1      TYR  67  -2.307 -11.644 -21.597
  446    HD2  TYR  67           HD2      TYR  67   1.574 -13.405 -21.053
  447    HE1  TYR  67           HE1      TYR  67  -3.202 -13.838 -22.324
  448    HE2  TYR  67           HE2      TYR  67   0.678 -15.601 -21.779
  449    HH   TYR  67           HH       TYR  67  -1.322 -16.365 -23.276
  450    H    HIS  68           HN       HIS  68   2.895  -9.674 -23.493
  451    HA   HIS  68           HA       HIS  68   0.678  -9.279 -25.373
  452   1HB   HIS  68          2HB       HIS  68   2.647  -8.540 -26.892
  453   2HB   HIS  68          1HB       HIS  68   2.287  -7.554 -25.475
  454    HD1  HIS  68           HD1      HIS  68   4.611  -6.763 -24.858
  455    HD2  HIS  68           HD2      HIS  68   4.425 -10.898 -25.361
  456    HE1  HIS  68           HE1      HIS  68   6.837  -7.681 -24.073
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1  16.428  -2.968  -7.710
    2   2H    GLY   1          2HT       GLY   1  17.411  -2.699  -6.351
    3   3H    GLY   1          3HT       GLY   1  15.941  -1.863  -6.520
    4   1HA   GLY   1          1HA       GLY   1  15.802  -4.775  -6.528
    5   2HA   GLY   1          2HA       GLY   1  16.179  -3.993  -4.992
    6    H    LYS   2           H        LYS   2  14.294  -3.913  -3.849
    7    HA   LYS   2           HA       LYS   2  12.009  -2.478  -5.049
    8   1HB   LYS   2          2HB       LYS   2  11.739  -4.985  -5.495
    9   2HB   LYS   2          1HB       LYS   2  11.561  -5.172  -3.750
   10   1HG   LYS   2          2HG       LYS   2   9.651  -3.658  -3.740
   11   2HG   LYS   2          1HG       LYS   2   9.861  -3.335  -5.463
   12   1HD   LYS   2          2HD       LYS   2   8.759  -5.218  -6.037
   13   2HD   LYS   2          1HD       LYS   2   9.712  -6.191  -4.918
   14   1HE   LYS   2          2HE       LYS   2   7.800  -4.412  -3.577
   15   2HE   LYS   2          1HE       LYS   2   7.032  -5.611  -4.617
   16   1HZ   LYS   2          1HZ       LYS   2   8.051  -7.357  -3.464
   17   2HZ   LYS   2          2HZ       LYS   2   7.506  -6.301  -2.250
   18   3HZ   LYS   2          3HZ       LYS   2   9.150  -6.330  -2.680
   19    H    GLU   3           H        GLU   3  12.173  -0.860  -3.508
   20    HA   GLU   3           HA       GLU   3  11.356  -1.591  -0.765
   21   1HB   GLU   3          2HB       GLU   3  14.056  -0.814  -1.497
   22   2HB   GLU   3          1HB       GLU   3  13.355   0.314  -0.339
   23   1HG   GLU   3          2HG       GLU   3  12.602  -1.836   0.932
   24   2HG   GLU   3          1HG       GLU   3  13.832  -2.643  -0.042
   25    H    CYS   4           H        CYS   4  10.083  -0.243  -2.970
   26    HA   CYS   4           HA       CYS   4   9.381   2.227  -1.550
   27   1HB   CYS   4          2HB       CYS   4  10.494   2.244  -4.366
   28   2HB   CYS   4          1HB       CYS   4   9.642   3.605  -3.639
   29    H    ASP   5           H        ASP   5   7.438   0.712  -1.425
   30    HA   ASP   5           HA       ASP   5   5.905  -0.249  -3.532
   31   1HB   ASP   5          2HB       ASP   5   5.452   0.012  -0.879
   32   2HB   ASP   5          1HB       ASP   5   4.374   1.268  -1.489
   33    H    CYS   6           H        CYS   6   6.088   3.086  -2.373
   34    HA   CYS   6           HA       CYS   6   4.527   3.948  -4.765
   35   1HB   CYS   6          2HB       CYS   6   3.767   5.807  -3.496
   36   2HB   CYS   6          1HB       CYS   6   3.739   4.473  -2.355
   37    H    SER   7           H        SER   7   5.277   6.372  -5.348
   38    HA   SER   7           HA       SER   7   8.254   6.497  -5.215
   39   1HB   SER   7          2HB       SER   7   8.391   7.000  -7.580
   40   2HB   SER   7          1HB       SER   7   7.488   5.500  -7.394
   41    HG   SER   7           HG       SER   7   6.443   8.114  -7.781
   42    H    SER   8           H        SER   8   6.063   7.991  -3.834
   43    HA   SER   8           HA       SER   8   7.065  10.687  -4.484
   44   1HB   SER   8          2HB       SER   8   4.291  11.067  -4.176
   45   2HB   SER   8          1HB       SER   8   5.238  11.296  -5.644
   46    HG   SER   8           HG       SER   8   3.747   9.784  -6.165
   47    HA   PRO   9           HA       PRO   9   6.690  10.748  -0.060
   48   1HB   PRO   9          2HB       PRO   9   7.603  13.319   0.270
   49   2HB   PRO   9          1HB       PRO   9   8.667  11.939  -0.058
   50   1HG   PRO   9          2HG       PRO   9   7.821  14.133  -1.889
   51   2HG   PRO   9          1HG       PRO   9   9.285  13.135  -1.934
   52   1HD   PRO   9          2HD       PRO   9   6.990  12.808  -3.570
   53   2HD   PRO   9          1HD       PRO   9   8.324  11.648  -3.389
   54    H    GLU  10           H        GLU  10   4.905  12.617  -2.276
   55    HA   GLU  10           HA       GLU  10   3.352  13.985  -0.137
   56   1HB   GLU  10          2HB       GLU  10   3.518  14.299  -3.135
   57   2HB   GLU  10          1HB       GLU  10   2.176  14.988  -2.221
   58   1HG   GLU  10          2HG       GLU  10   5.104  15.522  -1.641
   59   2HG   GLU  10          1HG       GLU  10   4.045  16.608  -2.542
   60    H    ASN  11           H        ASN  11   3.299  11.247  -2.177
   61    HA   ASN  11           HA       ASN  11   0.500  10.903  -2.555
   62   1HB   ASN  11          2HB       ASN  11   2.753   9.547  -3.316
   63   2HB   ASN  11          1HB       ASN  11   2.080   8.453  -2.109
   64   1HD2  ASN  11          1HD2      ASN  11   1.553   6.945  -3.924
   65   2HD2  ASN  11          2HD2      ASN  11   0.192   7.240  -4.893
   66    HA   PRO  12           HA       PRO  12  -0.570   9.966   1.662
   67   1HB   PRO  12          2HB       PRO  12  -3.190   9.299   1.153
   68   2HB   PRO  12          1HB       PRO  12  -2.608  10.971   1.234
   69   1HG   PRO  12          2HG       PRO  12  -3.351   9.357  -1.162
   70   2HG   PRO  12          1HG       PRO  12  -3.381  11.115  -0.940
   71   1HD   PRO  12          2HD       PRO  12  -1.393   9.653  -2.327
   72   2HD   PRO  12          1HD       PRO  12  -1.270  11.348  -1.809
   73    H    CYS  13           H        CYS  13  -1.264   7.837  -1.053
   74    HA   CYS  13           HA       CYS  13  -2.013   5.426   0.120
   75   1HB   CYS  13          2HB       CYS  13  -0.173   6.094  -2.166
   76   2HB   CYS  13          1HB       CYS  13  -0.369   4.420  -1.672
   77    H    CYS  14           H        CYS  14   1.326   6.675  -0.179
   78    HA   CYS  14           HA       CYS  14   2.076   4.536   1.750
   79   1HB   CYS  14          2HB       CYS  14   4.177   4.366   0.653
   80   2HB   CYS  14          1HB       CYS  14   3.029   4.597  -0.663
   81    H    ASP  15           H        ASP  15   4.594   5.280   2.229
   82    HA   ASP  15           HA       ASP  15   4.387   7.753   3.878
   83   1HB   ASP  15          2HB       ASP  15   4.540   5.114   4.737
   84   2HB   ASP  15          1HB       ASP  15   6.192   5.676   4.806
   85    H    ALA  16           H        ALA  16   6.021   9.177   3.389
   86    HA   ALA  16           HA       ALA  16   8.020   8.516   1.426
   87   1HB   ALA  16          1HB       ALA  16   6.988  10.818   1.903
   88   2HB   ALA  16          2HB       ALA  16   8.728  10.775   1.618
   89   3HB   ALA  16          3HB       ALA  16   8.108  10.908   3.263
   90    H    ALA  17           H        ALA  17   7.863   7.938   4.762
   91    HA   ALA  17           HA       ALA  17  10.559   8.368   5.570
   92   1HB   ALA  17          1HB       ALA  17   9.949   7.302   7.495
   93   2HB   ALA  17          2HB       ALA  17   9.227   5.943   6.632
   94   3HB   ALA  17          3HB       ALA  17   8.325   7.447   6.823
   95    H    THR  18           H        THR  18   9.058   5.789   3.715
   96    HA   THR  18           HA       THR  18  11.739   4.823   2.957
   97    HB   THR  18           HB       THR  18  11.107   3.500   4.986
   98    HG1  THR  18           HG1      THR  18  10.865   1.611   3.020
   99   1HG2  THR  18          1HG2      THR  18   8.598   3.371   3.539
  100   2HG2  THR  18          2HG2      THR  18   8.941   2.938   5.213
  101   3HG2  THR  18          3HG2      THR  18   9.181   1.752   3.931
  102    H    CYS  19           H        CYS  19   9.583   6.189   1.584
  103    HA   CYS  19           HA       CYS  19   8.108   5.964  -0.251
  104   1HB   CYS  19          2HB       CYS  19   9.298   4.707  -2.157
  105   2HB   CYS  19          1HB       CYS  19  10.129   6.101  -1.475
  106    H    LYS  20           H        LYS  20   7.711   3.913   1.862
  107    HA   LYS  20           HA       LYS  20   6.575   1.751   0.110
  108   1HB   LYS  20          2HB       LYS  20   7.598   1.578   2.965
  109   2HB   LYS  20          1HB       LYS  20   6.722   0.283   2.148
  110   1HG   LYS  20          2HG       LYS  20   8.679   0.922   0.312
  111   2HG   LYS  20          1HG       LYS  20   9.518   1.119   1.851
  112   1HD   LYS  20          2HD       LYS  20   9.796  -1.178   1.248
  113   2HD   LYS  20          1HD       LYS  20   8.565  -1.155   2.512
  114   1HE   LYS  20          2HE       LYS  20   7.445  -0.817  -0.176
  115   2HE   LYS  20          1HE       LYS  20   8.286  -2.353   0.031
  116   1HZ   LYS  20          1HZ       LYS  20   5.755  -1.772   0.874
  117   2HZ   LYS  20          2HZ       LYS  20   6.680  -1.693   2.296
  118   3HZ   LYS  20          3HZ       LYS  20   6.687  -3.106   1.353
  119    H    LEU  21           H        LEU  21   4.308   1.378   0.426
  120    HA   LEU  21           HA       LEU  21   3.149   3.423   2.132
  121   1HB   LEU  21          2HB       LEU  21   0.929   2.728   1.264
  122   2HB   LEU  21          1HB       LEU  21   2.035   3.248   0.019
  123    HG   LEU  21           HG       LEU  21   2.089   1.173  -0.948
  124   1HD1  LEU  21          1HD1      LEU  21   3.135   0.123   1.082
  125   2HD1  LEU  21          2HD1      LEU  21   2.003  -0.930   0.235
  126   3HD1  LEU  21          3HD1      LEU  21   1.512  -0.119   1.723
  127   1HD2  LEU  21          1HD2      LEU  21  -0.271   1.849  -0.757
  128   2HD2  LEU  21          2HD2      LEU  21  -0.382   0.994   0.777
  129   3HD2  LEU  21          3HD2      LEU  21  -0.108   0.094  -0.710
  130    H    ARG  22           H        ARG  22   0.783   2.404   3.013
  131    HA   ARG  22           HA       ARG  22   1.248  -0.018   4.446
  132   1HB   ARG  22          2HB       ARG  22   2.867   1.611   5.516
  133   2HB   ARG  22          1HB       ARG  22   1.449   2.409   6.198
  134   1HG   ARG  22          2HG       ARG  22   1.257  -0.449   6.580
  135   2HG   ARG  22          1HG       ARG  22   2.782   0.148   7.230
  136   1HD   ARG  22          2HD       ARG  22   1.317   2.038   8.279
  137   2HD   ARG  22          1HD       ARG  22  -0.023   0.929   7.992
  138    HE   ARG  22           HE       ARG  22   1.731   0.705  10.171
  139   1HH1  ARG  22          1HH1      ARG  22  -0.661  -1.083   9.622
  140   2HH1  ARG  22          2HH1      ARG  22   0.093  -2.639   9.521
  141   1HH2  ARG  22          1HH2      ARG  22   3.292  -1.359   9.131
  142   2HH2  ARG  22          2HH2      ARG  22   2.330  -2.795   9.244
  143    HA   PRO  23           HA       PRO  23  -2.605   2.002   6.386
  144   1HB   PRO  23          2HB       PRO  23  -3.716   4.157   5.070
  145   2HB   PRO  23          1HB       PRO  23  -2.640   4.267   6.472
  146   1HG   PRO  23          2HG       PRO  23  -2.035   4.752   3.590
  147   2HG   PRO  23          1HG       PRO  23  -1.296   5.472   5.031
  148   1HD   PRO  23          2HD       PRO  23  -0.156   3.456   3.493
  149   2HD   PRO  23          1HD       PRO  23   0.318   3.831   5.159
  150    H    GLY  24           H        GLY  24  -4.977   2.853   5.034
  151   1HA   GLY  24          1HA       GLY  24  -5.885   0.403   4.013
  152   2HA   GLY  24          2HA       GLY  24  -6.684   1.944   3.713
  153    H    ALA  25           H        ALA  25  -3.917   2.737   2.428
  154    HA   ALA  25           HA       ALA  25  -4.753   2.175  -0.257
  155   1HB   ALA  25          1HB       ALA  25  -3.295   4.122   0.470
  156   2HB   ALA  25          2HB       ALA  25  -2.734   3.261  -0.962
  157   3HB   ALA  25          3HB       ALA  25  -1.965   2.971   0.599
  158    H    GLN  26           H        GLN  26  -4.568   0.276  -1.290
  159    HA   GLN  26           HA       GLN  26  -3.057  -1.909  -0.130
  160   1HB   GLN  26          2HB       GLN  26  -5.184  -1.712  -1.877
  161   2HB   GLN  26          1HB       GLN  26  -3.865  -2.203  -2.935
  162   1HG   GLN  26          2HG       GLN  26  -3.959  -4.303  -2.137
  163   2HG   GLN  26          1HG       GLN  26  -3.718  -3.710  -0.493
  164   1HE2  GLN  26          1HE2      GLN  26  -6.017  -5.135  -2.613
  165   2HE2  GLN  26          2HE2      GLN  26  -7.382  -4.947  -1.622
  166    H    CYS  27           H        CYS  27  -2.219   0.676  -2.161
  167    HA   CYS  27           HA       CYS  27   0.449  -0.405  -2.492
  168   1HB   CYS  27          2HB       CYS  27   0.453  -0.952  -4.701
  169   2HB   CYS  27          1HB       CYS  27  -1.285  -1.110  -4.490
  170    H    GLY  28           H        GLY  28   1.821   1.245  -3.745
  171   1HA   GLY  28          2HA       GLY  28   0.999   3.947  -2.841
  172   2HA   GLY  28          1HA       GLY  28   2.630   3.466  -3.301
  173    H    GLU  29           H        GLU  29   1.546   2.004  -5.663
  174    HA   GLU  29           HA       GLU  29   0.111   3.742  -7.390
  175   1HB   GLU  29          2HB       GLU  29   2.090   4.538  -8.775
  176   2HB   GLU  29          1HB       GLU  29   1.891   5.323  -7.210
  177   1HG   GLU  29          2HG       GLU  29   4.010   4.733  -6.739
  178   2HG   GLU  29          1HG       GLU  29   3.456   3.059  -6.681
  179    H    GLY  30           H        GLY  30  -0.493   2.504  -9.124
  180   1HA   GLY  30          2HA       GLY  30   1.213   0.770 -10.598
  181   2HA   GLY  30          1HA       GLY  30   0.340  -0.199  -9.410
  182    H    LEU  31           H        LEU  31  -0.162  -0.687 -12.109
  183    HA   LEU  31           HA       LEU  31  -2.355   0.872 -13.116
  184   1HB   LEU  31          2HB       LEU  31  -0.953  -1.597 -13.807
  185   2HB   LEU  31          1HB       LEU  31  -2.574  -1.444 -14.446
  186    HG   LEU  31           HG       LEU  31  -0.728  -0.520 -15.935
  187   1HD1  LEU  31          1HD1      LEU  31  -2.083   1.903 -15.765
  188   2HD1  LEU  31          2HD1      LEU  31  -3.228   0.743 -15.092
  189   3HD1  LEU  31          3HD1      LEU  31  -2.585   0.506 -16.717
  190   1HD2  LEU  31          1HD2      LEU  31  -0.687   1.788 -13.994
  191   2HD2  LEU  31          2HD2      LEU  31   0.442   1.428 -15.302
  192   3HD2  LEU  31          3HD2      LEU  31   0.452   0.452 -13.832
  193    H    CYS  32           H        CYS  32  -2.160  -2.325 -11.559
  194    HA   CYS  32           HA       CYS  32  -5.093  -2.484 -11.321
  195   1HB   CYS  32          2HB       CYS  32  -3.626  -4.504 -11.739
  196   2HB   CYS  32          1HB       CYS  32  -2.956  -4.280 -10.132
  197    H    CYS  33           H        CYS  33  -4.101  -0.219 -10.033
  198    HA   CYS  33           HA       CYS  33  -4.996  -0.750  -7.308
  199   1HB   CYS  33          2HB       CYS  33  -2.788  -1.297  -6.817
  200   2HB   CYS  33          1HB       CYS  33  -2.136  -0.158  -7.986
  201    H    GLU  34           H        GLU  34  -6.636   0.726  -7.941
  202    HA   GLU  34           HA       GLU  34  -6.217   3.308  -9.040
  203   1HB   GLU  34          2HB       GLU  34  -8.477   3.783  -8.320
  204   2HB   GLU  34          1HB       GLU  34  -8.415   2.105  -8.850
  205   1HG   GLU  34          2HG       GLU  34  -8.530   1.273  -6.669
  206   2HG   GLU  34          1HG       GLU  34  -7.932   2.772  -5.958
  207    H    GLN  35           H        GLN  35  -7.620   4.909  -7.096
  208    HA   GLN  35           HA       GLN  35  -5.439   6.099  -5.743
  209   1HB   GLN  35          2HB       GLN  35  -7.451   7.370  -6.159
  210   2HB   GLN  35          1HB       GLN  35  -8.413   6.252  -5.195
  211   1HG   GLN  35          2HG       GLN  35  -7.946   7.427  -3.339
  212   2HG   GLN  35          1HG       GLN  35  -6.221   7.158  -3.593
  213   1HE2  GLN  35          1HE2      GLN  35  -4.977   8.953  -4.233
  214   2HE2  GLN  35          2HE2      GLN  35  -5.630  10.453  -4.686
  215    H    CYS  36           H        CYS  36  -4.290   4.541  -4.526
  216    HA   CYS  36           HA       CYS  36  -3.791   3.235  -2.637
  217   1HB   CYS  36          2HB       CYS  36  -6.034   4.906  -1.481
  218   2HB   CYS  36          1HB       CYS  36  -4.937   3.940  -0.532
  219    H    LYS  37           H        LYS  37  -5.499   1.985  -4.516
  220    HA   LYS  37           HA       LYS  37  -6.728  -0.020  -2.787
  221   1HB   LYS  37          2HB       LYS  37  -8.400   1.942  -4.325
  222   2HB   LYS  37          1HB       LYS  37  -8.964   0.278  -4.159
  223   1HG   LYS  37          2HG       LYS  37  -8.187   0.813  -1.599
  224   2HG   LYS  37          1HG       LYS  37  -8.745   2.404  -2.116
  225   1HD   LYS  37          2HD       LYS  37 -10.925   1.669  -2.483
  226   2HD   LYS  37          1HD       LYS  37 -10.425  -0.005  -2.725
  227   1HE   LYS  37          2HE       LYS  37 -10.694  -0.474  -0.539
  228   2HE   LYS  37          1HE       LYS  37  -9.700   0.904  -0.070
  229   1HZ   LYS  37          1HZ       LYS  37 -11.680   2.322  -0.507
  230   2HZ   LYS  37          2HZ       LYS  37 -11.863   1.250   0.798
  231   3HZ   LYS  37          3HZ       LYS  37 -12.598   0.908  -0.694
  232    H    PHE  38           H        PHE  38  -6.959  -2.000  -3.902
  233    HA   PHE  38           HA       PHE  38  -5.506  -2.236  -6.398
  234   1HB   PHE  38          2HB       PHE  38  -6.970  -4.102  -4.589
  235   2HB   PHE  38          1HB       PHE  38  -6.717  -4.616  -6.250
  236    HD1  PHE  38           HD1      PHE  38  -5.290  -6.456  -5.206
  237    HD2  PHE  38           HD2      PHE  38  -4.245  -2.294  -5.004
  238    HE1  PHE  38           HE1      PHE  38  -2.949  -7.070  -4.679
  239    HE2  PHE  38           HE2      PHE  38  -1.903  -2.911  -4.478
  240    HZ   PHE  38           HZ       PHE  38  -1.254  -5.298  -4.316
  241    H    SER  39           H        SER  39  -6.362  -1.784  -8.398
  242    HA   SER  39           HA       SER  39  -9.124  -1.205  -8.828
  243   1HB   SER  39          2HB       SER  39  -7.949  -2.238 -11.236
  244   2HB   SER  39          1HB       SER  39  -8.352  -0.573 -10.843
  245    HG   SER  39           HG       SER  39  -6.183  -0.592 -11.113
  246    H    ARG  40           H        ARG  40 -10.101  -2.779 -10.872
  247    HA   ARG  40           HA       ARG  40 -10.361  -5.374  -9.484
  248   1HB   ARG  40          2HB       ARG  40 -12.230  -3.658 -10.727
  249   2HB   ARG  40          1HB       ARG  40 -12.154  -5.125 -11.702
  250   1HG   ARG  40          2HG       ARG  40 -12.603  -6.513  -9.773
  251   2HG   ARG  40          1HG       ARG  40 -12.485  -5.123  -8.693
  252   1HD   ARG  40          2HD       ARG  40 -14.654  -4.639  -9.026
  253   2HD   ARG  40          1HD       ARG  40 -14.388  -4.540 -10.767
  254    HE   ARG  40           HE       ARG  40 -14.551  -7.292  -9.915
  255   1HH1  ARG  40          1HH2      ARG  40 -15.969  -5.022 -11.855
  256   2HH1  ARG  40          2HH2      ARG  40 -17.592  -5.606 -11.697
  257   1HH2  ARG  40          1HH1      ARG  40 -16.828  -7.813  -9.132
  258   2HH2  ARG  40          2HH1      ARG  40 -18.079  -7.187 -10.154
  259    H    ALA  41           H        ALA  41  -9.767  -7.259 -10.431
  260    HA   ALA  41           HA       ALA  41  -7.819  -7.488 -12.342
  261   1HB   ALA  41          1HB       ALA  41  -8.859  -9.311 -10.852
  262   2HB   ALA  41          2HB       ALA  41  -8.297  -9.804 -12.448
  263   3HB   ALA  41          3HB       ALA  41 -10.016  -9.538 -12.163
  264    H    GLY  42           H        GLY  42  -8.191  -8.734 -14.597
  265   1HA   GLY  42          2HA       GLY  42  -8.997  -8.564 -16.780
  266   2HA   GLY  42          1HA       GLY  42 -10.580  -8.281 -16.059
  267    H    LYS  43           H        LYS  43  -7.881  -6.189 -15.281
  268    HA   LYS  43           HA       LYS  43  -9.314  -4.033 -16.744
  269   1HB   LYS  43          2HB       LYS  43  -9.034  -2.850 -14.856
  270   2HB   LYS  43          1HB       LYS  43  -8.123  -4.172 -14.144
  271   1HG   LYS  43          2HG       LYS  43  -6.046  -3.308 -15.074
  272   2HG   LYS  43          1HG       LYS  43  -6.923  -2.074 -15.977
  273   1HD   LYS  43          2HD       LYS  43  -6.783  -2.310 -12.956
  274   2HD   LYS  43          1HD       LYS  43  -5.974  -1.091 -13.943
  275   1HE   LYS  43          2HE       LYS  43  -8.612  -0.920 -14.775
  276   2HE   LYS  43          1HE       LYS  43  -8.759  -1.204 -13.041
  277   1HZ   LYS  43          1HZ       LYS  43  -8.162   0.878 -12.674
  278   2HZ   LYS  43          2HZ       LYS  43  -8.054   1.160 -14.345
  279   3HZ   LYS  43          3HZ       LYS  43  -6.690   0.635 -13.480
  280    H    ILE  44           H        ILE  44  -8.433  -3.390 -18.662
  281    HA   ILE  44           HA       ILE  44  -5.806  -4.372 -19.404
  282    HB   ILE  44           HB       ILE  44  -8.082  -3.150 -20.742
  283   1HG1  ILE  44          2HG1      ILE  44  -7.331  -5.486 -21.015
  284   2HG1  ILE  44          1HG1      ILE  44  -7.310  -4.624 -22.554
  285   1HG2  ILE  44          1HG2      ILE  44  -6.709  -1.293 -21.300
  286   2HG2  ILE  44          2HG2      ILE  44  -6.590  -2.373 -22.689
  287   3HG2  ILE  44          3HG2      ILE  44  -5.285  -2.312 -21.505
  288   1HD1  ILE  44          1HD1      ILE  44  -4.799  -4.355 -21.068
  289   2HD1  ILE  44          2HD1      ILE  44  -5.063  -4.816 -22.750
  290   3HD1  ILE  44          3HD1      ILE  44  -5.179  -6.029 -21.474
  291    H    CYS  45           H        CYS  45  -3.993  -3.428 -18.700
  292    HA   CYS  45           HA       CYS  45  -3.938  -0.635 -17.829
  293   1HB   CYS  45          2HB       CYS  45  -2.222  -1.432 -16.589
  294   2HB   CYS  45          1HB       CYS  45  -2.418  -2.981 -17.361
  295    H    ARG  46           H        ARG  46  -3.120  -2.520 -20.638
  296    HA   ARG  46           HA       ARG  46  -2.816  -0.128 -22.276
  297   1HB   ARG  46          2HB       ARG  46  -0.457  -1.544 -21.229
  298   2HB   ARG  46          1HB       ARG  46  -0.467  -1.408 -22.988
  299   1HG   ARG  46          2HG       ARG  46   0.054   0.778 -22.875
  300   2HG   ARG  46          1HG       ARG  46  -1.312   1.088 -21.802
  301   1HD   ARG  46          2HD       ARG  46   0.196   0.034 -19.957
  302   2HD   ARG  46          1HD       ARG  46   1.518   0.348 -21.082
  303    HE   ARG  46           HE       ARG  46   0.105   2.349 -19.529
  304   1HH1  ARG  46          1HH1      ARG  46   2.916   2.750 -20.201
  305   2HH1  ARG  46          2HH1      ARG  46   2.867   3.914 -21.481
  306   1HH2  ARG  46          1HH2      ARG  46  -0.490   3.401 -22.179
  307   2HH2  ARG  46          2HH2      ARG  46   0.940   4.283 -22.601
  308    H    ILE  47           H        ILE  47  -3.984  -0.722 -23.997
  309    HA   ILE  47           HA       ILE  47  -4.533  -3.469 -24.659
  310    HB   ILE  47           HB       ILE  47  -5.969  -1.399 -25.130
  311   1HG1  ILE  47          2HG1      ILE  47  -5.680  -2.917 -27.674
  312   2HG1  ILE  47          1HG1      ILE  47  -5.983  -3.861 -26.213
  313   1HG2  ILE  47          1HG2      ILE  47  -5.539  -0.359 -27.363
  314   2HG2  ILE  47          2HG2      ILE  47  -4.006  -1.228 -27.436
  315   3HG2  ILE  47          3HG2      ILE  47  -4.270  -0.011 -26.188
  316   1HD1  ILE  47          1HD1      ILE  47  -8.163  -3.370 -26.661
  317   2HD1  ILE  47          2HD1      ILE  47  -7.749  -1.955 -27.628
  318   3HD1  ILE  47          3HD1      ILE  47  -7.767  -1.845 -25.867
  319    H    ALA  48           H        ALA  48  -4.174  -4.183 -27.061
  320    HA   ALA  48           HA       ALA  48  -1.700  -3.255 -28.273
  321   1HB   ALA  48          1HB       ALA  48  -1.830  -6.090 -27.254
  322   2HB   ALA  48          2HB       ALA  48  -0.940  -4.798 -26.450
  323   3HB   ALA  48          3HB       ALA  48  -0.476  -5.316 -28.070
  324    H    LYS  49           H        LYS  49  -2.280  -3.216 -30.396
  325    HA   LYS  49           HA       LYS  49  -3.761  -5.580 -31.445
  326   1HB   LYS  49          2HB       LYS  49  -5.012  -4.164 -32.915
  327   2HB   LYS  49          1HB       LYS  49  -5.239  -3.589 -31.267
  328   1HG   LYS  49          2HG       LYS  49  -4.371  -1.578 -31.791
  329   2HG   LYS  49          1HG       LYS  49  -2.916  -2.334 -32.442
  330   1HD   LYS  49          2HD       LYS  49  -5.392  -2.486 -34.100
  331   2HD   LYS  49          1HD       LYS  49  -4.583  -0.921 -33.993
  332   1HE   LYS  49          2HE       LYS  49  -2.579  -2.922 -34.365
  333   2HE   LYS  49          1HE       LYS  49  -3.838  -3.183 -35.572
  334   1HZ   LYS  49          1HZ       LYS  49  -3.505  -0.475 -35.508
  335   2HZ   LYS  49          2HZ       LYS  49  -2.896  -1.532 -36.691
  336   3HZ   LYS  49          3HZ       LYS  49  -1.924  -1.073 -35.375
  337    H    GLY  50           H        GLY  50  -1.026  -3.677 -31.627
  338   1HA   GLY  50          2HA       GLY  50  -0.368  -4.701 -34.337
  339   2HA   GLY  50          1HA       GLY  50   0.261  -3.163 -33.727
  340    H    ASP  51           H        ASP  51   1.731  -3.237 -31.947
  341    HA   ASP  51           HA       ASP  51   3.497  -5.501 -31.762
  342   1HB   ASP  51          2HB       ASP  51   3.163  -2.890 -30.494
  343   2HB   ASP  51          1HB       ASP  51   3.717  -4.120 -29.372
  344    H    TRP  52           H        TRP  52   3.613  -6.490 -29.213
  345    HA   TRP  52           HA       TRP  52   0.866  -6.516 -28.221
  346   1HB   TRP  52          2HB       TRP  52   2.117  -8.871 -29.530
  347   2HB   TRP  52          1HB       TRP  52   0.898  -9.089 -28.263
  348    HD1  TRP  52           HD1      TRP  52  -1.235  -7.156 -28.622
  349    HE1  TRP  52           HE1      TRP  52  -2.586  -6.818 -30.762
  350    HE3  TRP  52           HE3      TRP  52   2.075  -8.981 -32.013
  351    HZ2  TRP  52           HZ2      TRP  52  -2.298  -7.203 -33.528
  352    HZ3  TRP  52           HZ3      TRP  52   1.528  -8.920 -34.431
  353    HH2  TRP  52           HH2      TRP  52  -0.664  -8.037 -35.202
  354    H    ASN  53           H        ASN  53   0.554  -6.965 -26.227
  355    HA   ASN  53           HA       ASN  53   1.916  -8.400 -24.323
  356   1HB   ASN  53          2HB       ASN  53   3.228  -6.355 -23.272
  357   2HB   ASN  53          1HB       ASN  53   3.994  -7.324 -24.532
  358   1HD2  ASN  53          1HD2      ASN  53   1.621  -4.588 -24.518
  359   2HD2  ASN  53          2HD2      ASN  53   2.441  -3.687 -25.700
  360    H    ASP  54           H        ASP  54  -0.676  -7.603 -24.844
  361    HA   ASP  54           HA       ASP  54  -1.623  -5.279 -23.554
  362   1HB   ASP  54          2HB       ASP  54  -3.106  -7.885 -23.488
  363   2HB   ASP  54          1HB       ASP  54  -3.777  -6.264 -23.558
  364    H    ASP  55           H        ASP  55  -2.152  -4.833 -21.409
  365    HA   ASP  55           HA       ASP  55  -1.159  -6.833 -19.434
  366   1HB   ASP  55          2HB       ASP  55  -1.701  -4.025 -18.673
  367   2HB   ASP  55          1HB       ASP  55  -0.438  -5.105 -18.104
  368    H    ARG  56           H        ARG  56  -2.460  -7.386 -17.646
  369    HA   ARG  56           HA       ARG  56  -5.199  -6.221 -17.592
  370   1HB   ARG  56          2HB       ARG  56  -5.108  -8.519 -18.751
  371   2HB   ARG  56          1HB       ARG  56  -4.718  -9.174 -17.165
  372   1HG   ARG  56          2HG       ARG  56  -6.910  -9.175 -16.672
  373   2HG   ARG  56          1HG       ARG  56  -6.912  -7.416 -16.808
  374   1HD   ARG  56          2HD       ARG  56  -8.406  -7.811 -18.489
  375   2HD   ARG  56          1HD       ARG  56  -6.950  -8.104 -19.437
  376    HE   ARG  56           HE       ARG  56  -7.978 -10.471 -18.044
  377   1HH1  ARG  56          1HH2      ARG  56  -9.754  -8.908 -20.209
  378   2HH1  ARG  56          2HH2      ARG  56  -9.525  -9.987 -21.545
  379   1HH2  ARG  56          1HH1      ARG  56  -6.904 -11.702 -20.056
  380   2HH2  ARG  56          2HH1      ARG  56  -7.912 -11.568 -21.459
  381    H    CYS  57           H        CYS  57  -5.816  -5.725 -15.518
  382    HA   CYS  57           HA       CYS  57  -3.944  -6.195 -13.338
  383   1HB   CYS  57          2HB       CYS  57  -4.980  -4.194 -12.911
  384   2HB   CYS  57          1HB       CYS  57  -6.407  -4.618 -13.813
  385    H    THR  58           H        THR  58  -4.567  -7.413 -11.414
  386    HA   THR  58           HA       THR  58  -6.488  -9.609 -12.054
  387    HB   THR  58           HB       THR  58  -5.208 -11.001 -10.509
  388    HG1  THR  58           HG1      THR  58  -3.542 -10.175  -9.346
  389   1HG2  THR  58          1HG2      THR  58  -4.372 -10.305 -12.956
  390   2HG2  THR  58          2HG2      THR  58  -3.439 -11.391 -11.926
  391   3HG2  THR  58          3HG2      THR  58  -3.007  -9.685 -12.028
  392    H    GLY  59           H        GLY  59  -7.110 -10.571  -9.615
  393   1HA   GLY  59          2HA       GLY  59  -8.524  -8.276  -8.392
  394   2HA   GLY  59          1HA       GLY  59  -8.860  -9.976  -8.076
  395    H    GLN  60           H        GLN  60  -5.538  -9.186  -8.079
  396    HA   GLN  60           HA       GLN  60  -5.376  -8.445  -5.250
  397   1HB   GLN  60          2HB       GLN  60  -4.563 -11.199  -6.217
  398   2HB   GLN  60          1HB       GLN  60  -3.960 -10.493  -4.716
  399   1HG   GLN  60          2HG       GLN  60  -6.565 -10.052  -4.318
  400   2HG   GLN  60          1HG       GLN  60  -6.709 -11.441  -5.393
  401   1HE2  GLN  60          1HE2      GLN  60  -4.482 -12.983  -4.621
  402   2HE2  GLN  60          2HE2      GLN  60  -4.654 -13.451  -2.999
  403    H    SER  61           H        SER  61  -4.429  -7.646  -8.035
  404    HA   SER  61           HA       SER  61  -1.500  -7.577  -7.413
  405   1HB   SER  61          2HB       SER  61  -1.915  -8.841  -9.461
  406   2HB   SER  61          1HB       SER  61  -2.902  -7.532 -10.104
  407    HG   SER  61           HG       SER  61  -0.174  -7.277  -9.353
  408    H    ALA  62           H        ALA  62  -0.442  -5.552  -8.432
  409    HA   ALA  62           HA       ALA  62  -2.331  -3.239  -8.275
  410   1HB   ALA  62          1HB       ALA  62  -0.035  -2.141  -7.371
  411   2HB   ALA  62          2HB       ALA  62   0.147  -3.782  -6.753
  412   3HB   ALA  62          3HB       ALA  62  -1.264  -2.823  -6.308
  413    H    ASP  63           H        ASP  63   0.364  -4.740  -9.876
  414    HA   ASP  63           HA       ASP  63   0.793  -2.283 -11.495
  415   1HB   ASP  63          2HB       ASP  63   2.391  -4.809 -11.655
  416   2HB   ASP  63          1HB       ASP  63   2.841  -3.202 -12.207
  417    H    CYS  64           H        CYS  64   1.752  -3.547 -13.815
  418    HA   CYS  64           HA       CYS  64  -0.556  -5.154 -14.740
  419   1HB   CYS  64          2HB       CYS  64  -1.346  -3.577 -16.111
  420   2HB   CYS  64          1HB       CYS  64  -0.382  -2.456 -15.188
  421    HA   PRO  65           HA       PRO  65   2.833  -7.349 -16.546
  422   1HB   PRO  65          2HB       PRO  65   1.291  -9.509 -17.200
  423   2HB   PRO  65          1HB       PRO  65   1.907  -9.225 -15.572
  424   1HG   PRO  65          2HG       PRO  65  -0.856  -8.984 -16.613
  425   2HG   PRO  65          1HG       PRO  65  -0.305  -9.184 -14.942
  426   1HD   PRO  65          2HD       PRO  65  -1.162  -6.762 -16.201
  427   2HD   PRO  65          1HD       PRO  65  -0.487  -6.941 -14.570
  428    H    ARG  66           H        ARG  66   2.283  -9.126 -18.718
  429    HA   ARG  66           HA       ARG  66   0.831  -7.680 -20.787
  430   1HB   ARG  66          2HB       ARG  66   3.143  -7.890 -22.183
  431   2HB   ARG  66          1HB       ARG  66   2.647  -6.417 -21.355
  432   1HG   ARG  66          2HG       ARG  66   3.879  -7.291 -19.309
  433   2HG   ARG  66          1HG       ARG  66   4.544  -8.550 -20.353
  434   1HD   ARG  66          2HD       ARG  66   4.877  -6.097 -21.734
  435   2HD   ARG  66          1HD       ARG  66   5.401  -5.815 -20.073
  436    HE   ARG  66           HE       ARG  66   6.649  -8.175 -20.662
  437   1HH1  ARG  66          1HH2      ARG  66   7.450  -5.042 -20.993
  438   2HH1  ARG  66          2HH2      ARG  66   8.476  -5.213 -22.378
  439   1HH2  ARG  66          1HH1      ARG  66   7.495  -8.473 -23.032
  440   2HH2  ARG  66          2HH1      ARG  66   8.501  -7.155 -23.532
  441    H    TYR  67           H        TYR  67   0.151  -9.098 -22.366
  442    HA   TYR  67           HA       TYR  67   1.533 -11.398 -23.248
  443   1HB   TYR  67          2HB       TYR  67   0.010 -11.723 -20.766
  444   2HB   TYR  67          1HB       TYR  67  -0.370 -12.918 -22.003
  445    HD1  TYR  67           HD1      TYR  67   2.090 -13.375 -23.410
  446    HD2  TYR  67           HD2      TYR  67   1.494 -12.651 -19.218
  447    HE1  TYR  67           HE1      TYR  67   4.206 -14.566 -22.903
  448    HE2  TYR  67           HE2      TYR  67   3.611 -13.843 -18.712
  449    HH   TYR  67           HH       TYR  67   5.944 -14.319 -20.595
  450    H    HIS  68           HN       HIS  68   0.628 -10.601 -25.235
  451    HA   HIS  68           HA       HIS  68  -2.277 -10.380 -25.523
  452   1HB   HIS  68          2HB       HIS  68  -0.674  -9.002 -26.884
  453   2HB   HIS  68          1HB       HIS  68  -0.166 -10.483 -27.699
  454    HD1  HIS  68           HD1      HIS  68  -1.260 -10.538 -29.935
  455    HD2  HIS  68           HD2      HIS  68  -3.861  -9.135 -26.994
  456    HE1  HIS  68           HE1      HIS  68  -3.494 -10.171 -31.069
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1  12.420  -4.184  -4.555
    2   2H    GLY   1          2HT       GLY   1  13.593  -4.138  -3.328
    3   3H    GLY   1          3HT       GLY   1  13.691  -3.063  -4.641
    4   1HA   GLY   1          1HA       GLY   1  11.811  -1.851  -3.939
    5   2HA   GLY   1          2HA       GLY   1  11.414  -3.085  -2.743
    6    H    LYS   2           H        LYS   2  11.545  -1.494  -1.036
    7    HA   LYS   2           HA       LYS   2  14.041  -1.362   0.299
    8   1HB   LYS   2          2HB       LYS   2  14.624   1.020  -0.003
    9   2HB   LYS   2          1HB       LYS   2  14.697   0.152  -1.537
   10   1HG   LYS   2          2HG       LYS   2  12.955   1.316  -2.421
   11   2HG   LYS   2          1HG       LYS   2  12.050   1.295  -0.907
   12   1HD   LYS   2          2HD       LYS   2  12.614   3.464  -0.660
   13   2HD   LYS   2          1HD       LYS   2  14.266   2.916  -0.371
   14   1HE   LYS   2          2HE       LYS   2  14.972   3.679  -2.378
   15   2HE   LYS   2          1HE       LYS   2  13.593   2.964  -3.216
   16   1HZ   LYS   2          1HZ       LYS   2  12.386   4.943  -1.945
   17   2HZ   LYS   2          2HZ       LYS   2  13.062   5.123  -3.494
   18   3HZ   LYS   2          3HZ       LYS   2  13.921   5.643  -2.124
   19    H    GLU   3           H        GLU   3  13.834   0.932   1.788
   20    HA   GLU   3           HA       GLU   3  11.311   0.444   3.246
   21   1HB   GLU   3          2HB       GLU   3  13.955   1.208   3.960
   22   2HB   GLU   3          1HB       GLU   3  12.877   2.524   4.421
   23   1HG   GLU   3          2HG       GLU   3  12.758   1.143   6.300
   24   2HG   GLU   3          1HG       GLU   3  11.370   0.591   5.362
   25    H    CYS   4           H        CYS   4  10.262   1.470   1.201
   26    HA   CYS   4           HA       CYS   4   9.128   3.944   1.897
   27   1HB   CYS   4          2HB       CYS   4  11.520   4.676   1.268
   28   2HB   CYS   4          1HB       CYS   4  10.993   4.372  -0.371
   29    H    ASP   5           H        ASP   5   7.703   2.051   1.277
   30    HA   ASP   5           HA       ASP   5   7.153   0.957  -1.135
   31   1HB   ASP   5          2HB       ASP   5   5.714   0.981   1.014
   32   2HB   ASP   5          1HB       ASP   5   4.926   2.392   0.305
   33    H    CYS   6           H        CYS   6   6.825   4.398  -0.406
   34    HA   CYS   6           HA       CYS   6   6.020   4.791  -3.269
   35   1HB   CYS   6          2HB       CYS   6   4.785   6.737  -2.629
   36   2HB   CYS   6          1HB       CYS   6   4.346   5.480  -1.481
   37    H    SER   7           H        SER   7   6.748   7.039  -4.085
   38    HA   SER   7           HA       SER   7   9.522   7.540  -3.090
   39   1HB   SER   7          2HB       SER   7   9.911   8.430  -5.434
   40   2HB   SER   7          1HB       SER   7   9.612   6.696  -5.341
   41    HG   SER   7           HG       SER   7   8.369   8.218  -6.891
   42    H    SER   8           H        SER   8   6.410   8.837  -3.347
   43    HA   SER   8           HA       SER   8   7.484  11.615  -3.101
   44   1HB   SER   8          2HB       SER   8   4.694  11.677  -3.610
   45   2HB   SER   8          1HB       SER   8   5.994  12.186  -4.683
   46    HG   SER   8           HG       SER   8   4.825  10.570  -5.695
   47    HA   PRO   9           HA       PRO   9   5.855  11.327   1.020
   48   1HB   PRO   9          2HB       PRO   9   6.376  13.933   1.720
   49   2HB   PRO   9          1HB       PRO   9   7.617  12.669   1.661
   50   1HG   PRO   9          2HG       PRO   9   7.135  14.912  -0.242
   51   2HG   PRO   9          1HG       PRO   9   8.636  14.039   0.108
   52   1HD   PRO   9          2HD       PRO   9   6.968  13.645  -2.150
   53   2HD   PRO   9          1HD       PRO   9   8.289  12.580  -1.625
   54    H    GLU  10           H        GLU  10   4.419  12.816  -1.556
   55    HA   GLU  10           HA       GLU  10   2.287  14.077   0.115
   56   1HB   GLU  10          2HB       GLU  10   3.470  14.698  -2.520
   57   2HB   GLU  10          1HB       GLU  10   1.710  14.811  -2.456
   58   1HG   GLU  10          2HG       GLU  10   3.102  16.000  -0.140
   59   2HG   GLU  10          1HG       GLU  10   3.399  16.816  -1.675
   60    H    ASN  11           H        ASN  11   3.010  11.331  -1.722
   61    HA   ASN  11           HA       ASN  11   0.475  10.817  -2.937
   62   1HB   ASN  11          2HB       ASN  11   2.917   9.604  -3.009
   63   2HB   ASN  11          1HB       ASN  11   2.015   8.477  -1.996
   64   1HD2  ASN  11          1HD2      ASN  11   2.180   6.959  -3.909
   65   2HD2  ASN  11          2HD2      ASN  11   1.078   7.134  -5.188
   66    HA   PRO  12           HA       PRO  12  -1.723   9.818   0.804
   67   1HB   PRO  12          2HB       PRO  12  -4.068   9.100  -0.438
   68   2HB   PRO  12          1HB       PRO  12  -3.575  10.783  -0.181
   69   1HG   PRO  12          2HG       PRO  12  -3.564   9.188  -2.701
   70   2HG   PRO  12          1HG       PRO  12  -3.696  10.941  -2.484
   71   1HD   PRO  12          2HD       PRO  12  -1.361   9.535  -3.254
   72   2HD   PRO  12          1HD       PRO  12  -1.433  11.228  -2.719
   73    H    CYS  13           H        CYS  13  -0.481   7.731  -1.429
   74    HA   CYS  13           HA       CYS  13  -1.837   5.314  -0.325
   75   1HB   CYS  13          2HB       CYS  13   0.034   5.616  -2.693
   76   2HB   CYS  13          1HB       CYS  13  -0.791   4.134  -2.220
   77    H    CYS  14           H        CYS  14   0.488   7.111   0.822
   78    HA   CYS  14           HA       CYS  14   1.921   4.858   1.969
   79   1HB   CYS  14          2HB       CYS  14   3.412   4.685   0.268
   80   2HB   CYS  14          1HB       CYS  14   2.975   6.251  -0.396
   81    H    ASP  15           H        ASP  15   2.982   5.447   3.851
   82    HA   ASP  15           HA       ASP  15   2.387   8.093   4.922
   83   1HB   ASP  15          2HB       ASP  15   2.453   5.769   6.125
   84   2HB   ASP  15          1HB       ASP  15   4.171   6.103   6.230
   85    H    ALA  16           H        ALA  16   3.911   9.741   5.287
   86    HA   ALA  16           HA       ALA  16   6.413   9.486   3.780
   87   1HB   ALA  16          1HB       ALA  16   5.585  11.932   5.321
   88   2HB   ALA  16          2HB       ALA  16   4.803  11.530   3.792
   89   3HB   ALA  16          3HB       ALA  16   6.541  11.828   3.842
   90    H    ALA  17           H        ALA  17   5.348   9.827   7.126
   91    HA   ALA  17           HA       ALA  17   7.982  10.324   8.208
   92   1HB   ALA  17          1HB       ALA  17   5.964  10.901   9.472
   93   2HB   ALA  17          2HB       ALA  17   6.931   9.740  10.382
   94   3HB   ALA  17          3HB       ALA  17   5.489   9.203   9.520
   95    H    THR  18           H        THR  18   6.591   7.538   6.861
   96    HA   THR  18           HA       THR  18   8.692   5.872   8.186
   97    HB   THR  18           HB       THR  18   7.064   3.958   8.084
   98    HG1  THR  18           HG1      THR  18   5.734   5.122   6.509
   99   1HG2  THR  18          1HG2      THR  18   5.459   5.405   9.829
  100   2HG2  THR  18          2HG2      THR  18   6.988   6.283   9.850
  101   3HG2  THR  18          3HG2      THR  18   6.949   4.567  10.256
  102    H    CYS  19           H        CYS  19   7.530   7.083   5.305
  103    HA   CYS  19           HA       CYS  19   7.766   6.391   3.060
  104   1HB   CYS  19          2HB       CYS  19  10.231   5.892   4.480
  105   2HB   CYS  19          1HB       CYS  19  10.034   4.774   3.160
  106    H    LYS  20           H        LYS  20   5.852   5.023   3.279
  107    HA   LYS  20           HA       LYS  20   6.284   2.359   2.348
  108   1HB   LYS  20          2HB       LYS  20   5.833   2.717   5.282
  109   2HB   LYS  20          1HB       LYS  20   4.999   1.389   4.471
  110   1HG   LYS  20          2HG       LYS  20   7.567   1.228   3.440
  111   2HG   LYS  20          1HG       LYS  20   7.843   1.669   5.125
  112   1HD   LYS  20          2HD       LYS  20   7.640  -0.584   5.463
  113   2HD   LYS  20          1HD       LYS  20   5.914  -0.217   5.436
  114   1HE   LYS  20          2HE       LYS  20   5.620  -1.372   3.525
  115   2HE   LYS  20          1HE       LYS  20   6.953  -0.522   2.742
  116   1HZ   LYS  20          1HZ       LYS  20   7.935  -2.322   4.693
  117   2HZ   LYS  20          2HZ       LYS  20   8.255  -2.271   3.024
  118   3HZ   LYS  20          3HZ       LYS  20   6.920  -3.144   3.610
  119    H    LEU  21           H        LEU  21   3.871   1.165   2.909
  120    HA   LEU  21           HA       LEU  21   2.045   2.949   1.484
  121   1HB   LEU  21          2HB       LEU  21   2.018   0.118   2.368
  122   2HB   LEU  21          1HB       LEU  21   0.450   0.912   2.245
  123    HG   LEU  21           HG       LEU  21   2.476   1.016   0.004
  124   1HD1  LEU  21          1HD1      LEU  21   1.797  -0.998  -0.820
  125   2HD1  LEU  21          2HD1      LEU  21   0.142  -0.776  -0.255
  126   3HD1  LEU  21          3HD1      LEU  21   1.389  -1.329   0.863
  127   1HD2  LEU  21          1HD2      LEU  21   0.036   2.316   0.503
  128   2HD2  LEU  21          2HD2      LEU  21  -0.319   1.081  -0.706
  129   3HD2  LEU  21          3HD2      LEU  21   0.933   2.286  -1.014
  130    H    ARG  22           H        ARG  22  -0.008   3.609   2.269
  131    HA   ARG  22           HA       ARG  22  -0.004   4.179   5.153
  132   1HB   ARG  22          2HB       ARG  22  -1.491   5.124   2.767
  133   2HB   ARG  22          1HB       ARG  22  -2.444   5.028   4.248
  134   1HG   ARG  22          2HG       ARG  22  -0.461   6.262   5.366
  135   2HG   ARG  22          1HG       ARG  22   0.039   6.654   3.719
  136   1HD   ARG  22          2HD       ARG  22  -1.375   8.446   4.652
  137   2HD   ARG  22          1HD       ARG  22  -2.173   7.663   3.288
  138    HE   ARG  22           HE       ARG  22  -2.909   6.441   5.814
  139   1HH1  ARG  22          1HH1      ARG  22  -4.384   7.444   3.156
  140   2HH1  ARG  22          2HH1      ARG  22  -5.594   8.438   3.898
  141   1HH2  ARG  22          1HH2      ARG  22  -4.065   8.432   7.012
  142   2HH2  ARG  22          2HH2      ARG  22  -5.413   8.998   6.082
  143    HA   PRO  23           HA       PRO  23  -2.207   0.420   5.998
  144   1HB   PRO  23          2HB       PRO  23  -3.166   1.183   8.480
  145   2HB   PRO  23          1HB       PRO  23  -1.519   0.593   8.184
  146   1HG   PRO  23          2HG       PRO  23  -2.474   3.427   8.533
  147   2HG   PRO  23          1HG       PRO  23  -0.956   2.681   9.073
  148   1HD   PRO  23          2HD       PRO  23  -1.095   4.267   6.820
  149   2HD   PRO  23          1HD       PRO  23   0.073   2.950   7.002
  150    H    GLY  24           H        GLY  24  -3.699   1.024   4.240
  151   1HA   GLY  24          2HA       GLY  24  -6.422   0.966   4.966
  152   2HA   GLY  24          1HA       GLY  24  -6.021   2.640   4.566
  153    H    ALA  25           H        ALA  25  -3.975   1.961   2.656
  154    HA   ALA  25           HA       ALA  25  -5.677   1.276   0.356
  155   1HB   ALA  25          1HB       ALA  25  -4.131   2.419  -0.954
  156   2HB   ALA  25          2HB       ALA  25  -2.792   2.046   0.127
  157   3HB   ALA  25          3HB       ALA  25  -3.971   3.278   0.577
  158    H    GLN  26           H        GLN  26  -3.694   0.269  -1.378
  159    HA   GLN  26           HA       GLN  26  -2.720  -2.155   0.036
  160   1HB   GLN  26          2HB       GLN  26  -3.513  -3.560  -1.869
  161   2HB   GLN  26          1HB       GLN  26  -4.818  -2.799  -0.971
  162   1HG   GLN  26          2HG       GLN  26  -5.381  -2.459  -3.234
  163   2HG   GLN  26          1HG       GLN  26  -4.736  -0.916  -2.685
  164   1HE2  GLN  26          1HE2      GLN  26  -2.352  -3.427  -3.174
  165   2HE2  GLN  26          2HE2      GLN  26  -1.763  -2.846  -4.651
  166    H    CYS  27           H        CYS  27  -2.018   0.359  -2.109
  167    HA   CYS  27           HA       CYS  27   0.597  -0.804  -2.623
  168   1HB   CYS  27          2HB       CYS  27   0.147  -1.611  -4.677
  169   2HB   CYS  27          1HB       CYS  27  -1.477  -0.960  -4.619
  170    H    GLY  28           H        GLY  28   1.979   0.869  -3.859
  171   1HA   GLY  28          2HA       GLY  28   1.199   3.572  -2.869
  172   2HA   GLY  28          1HA       GLY  28   2.860   3.044  -3.139
  173    H    GLU  29           H        GLU  29   2.184   1.752  -5.710
  174    HA   GLU  29           HA       GLU  29   1.001   3.668  -7.484
  175   1HB   GLU  29          2HB       GLU  29   3.111   4.465  -8.554
  176   2HB   GLU  29          1HB       GLU  29   2.918   5.040  -6.899
  177   1HG   GLU  29          2HG       GLU  29   4.766   3.946  -6.206
  178   2HG   GLU  29          1HG       GLU  29   4.268   2.455  -7.006
  179    H    GLY  30           H        GLY  30   0.424   2.479  -9.217
  180   1HA   GLY  30          2HA       GLY  30   2.206   0.718 -10.623
  181   2HA   GLY  30          1HA       GLY  30   1.064  -0.214  -9.647
  182    H    LEU  31           H        LEU  31   0.996  -0.352 -12.478
  183    HA   LEU  31           HA       LEU  31  -0.827   1.474 -13.684
  184   1HB   LEU  31          2HB       LEU  31   0.200  -1.203 -14.290
  185   2HB   LEU  31          1HB       LEU  31  -1.344  -0.820 -15.024
  186    HG   LEU  31           HG       LEU  31   0.906   1.165 -15.149
  187   1HD1  LEU  31          1HD1      LEU  31   1.701   0.165 -17.223
  188   2HD1  LEU  31          2HD1      LEU  31   0.481  -1.104 -17.116
  189   3HD1  LEU  31          3HD1      LEU  31   1.791  -1.039 -15.937
  190   1HD2  LEU  31          1HD2      LEU  31  -0.783   2.229 -16.220
  191   2HD2  LEU  31          2HD2      LEU  31  -1.743   0.752 -16.329
  192   3HD2  LEU  31          3HD2      LEU  31  -0.507   1.092 -17.541
  193    H    CYS  32           H        CYS  32  -1.272  -1.480 -11.854
  194    HA   CYS  32           HA       CYS  32  -4.222  -1.233 -12.024
  195   1HB   CYS  32          2HB       CYS  32  -2.703  -3.425 -12.183
  196   2HB   CYS  32          1HB       CYS  32  -2.862  -3.359 -10.429
  197    H    CYS  33           H        CYS  33  -2.804   0.794 -10.539
  198    HA   CYS  33           HA       CYS  33  -3.613   0.068  -7.753
  199   1HB   CYS  33          2HB       CYS  33  -1.383   1.812  -8.791
  200   2HB   CYS  33          1HB       CYS  33  -1.997   1.996  -7.147
  201    H    GLU  34           H        GLU  34  -5.773   0.818  -8.017
  202    HA   GLU  34           HA       GLU  34  -6.505   3.340  -9.119
  203   1HB   GLU  34          2HB       GLU  34  -7.890   1.229  -8.098
  204   2HB   GLU  34          1HB       GLU  34  -8.071   2.411  -6.807
  205   1HG   GLU  34          2HG       GLU  34  -8.437   3.826  -9.224
  206   2HG   GLU  34          1HG       GLU  34  -9.383   2.344  -9.365
  207    H    GLN  35           H        GLN  35  -7.789   4.829  -7.188
  208    HA   GLN  35           HA       GLN  35  -5.676   6.310  -6.014
  209   1HB   GLN  35          2HB       GLN  35  -8.338   6.745  -6.348
  210   2HB   GLN  35          1HB       GLN  35  -8.293   6.393  -4.620
  211   1HG   GLN  35          2HG       GLN  35  -7.973   8.762  -4.849
  212   2HG   GLN  35          1HG       GLN  35  -6.404   8.075  -4.433
  213   1HE2  GLN  35          1HE2      GLN  35  -7.034  10.583  -6.014
  214   2HE2  GLN  35          2HE2      GLN  35  -6.239  10.376  -7.499
  215    H    CYS  36           H        CYS  36  -4.318   4.805  -4.887
  216    HA   CYS  36           HA       CYS  36  -3.590   3.594  -3.014
  217   1HB   CYS  36          2HB       CYS  36  -5.862   5.169  -1.768
  218   2HB   CYS  36          1HB       CYS  36  -4.679   4.247  -0.849
  219    H    LYS  37           H        LYS  37  -5.145   2.051  -4.689
  220    HA   LYS  37           HA       LYS  37  -6.272   0.123  -2.812
  221   1HB   LYS  37          2HB       LYS  37  -8.008   1.983  -4.266
  222   2HB   LYS  37          1HB       LYS  37  -8.400   0.295  -4.594
  223   1HG   LYS  37          2HG       LYS  37  -7.877   0.545  -1.796
  224   2HG   LYS  37          1HG       LYS  37  -9.006   1.822  -2.256
  225   1HD   LYS  37          2HD       LYS  37 -10.169  -0.149  -3.599
  226   2HD   LYS  37          1HD       LYS  37  -9.342  -1.150  -2.403
  227   1HE   LYS  37          2HE       LYS  37 -11.460  -0.666  -1.437
  228   2HE   LYS  37          1HE       LYS  37 -10.333   0.426  -0.634
  229   1HZ   LYS  37          1HZ       LYS  37 -12.158   1.733  -1.262
  230   2HZ   LYS  37          2HZ       LYS  37 -12.235   1.048  -2.816
  231   3HZ   LYS  37          3HZ       LYS  37 -10.955   2.085  -2.404
  232    H    PHE  38           H        PHE  38  -7.110  -1.838  -4.083
  233    HA   PHE  38           HA       PHE  38  -5.213  -2.372  -6.291
  234   1HB   PHE  38          2HB       PHE  38  -6.735  -3.976  -4.347
  235   2HB   PHE  38          1HB       PHE  38  -6.714  -4.660  -5.965
  236    HD1  PHE  38           HD1      PHE  38  -5.251  -5.376  -3.152
  237    HD2  PHE  38           HD2      PHE  38  -4.049  -3.705  -6.921
  238    HE1  PHE  38           HE1      PHE  38  -2.946  -6.216  -2.788
  239    HE2  PHE  38           HE2      PHE  38  -1.745  -4.542  -6.552
  240    HZ   PHE  38           HZ       PHE  38  -1.191  -5.796  -4.488
  241    H    SER  39           H        SER  39  -5.883  -2.115  -8.393
  242    HA   SER  39           HA       SER  39  -8.597  -1.541  -9.101
  243   1HB   SER  39          2HB       SER  39  -6.098  -1.746 -10.467
  244   2HB   SER  39          1HB       SER  39  -7.273  -2.730 -11.329
  245    HG   SER  39           HG       SER  39  -7.022  -0.155 -11.460
  246    H    ARG  40           H        ARG  40 -10.081  -3.000 -10.303
  247    HA   ARG  40           HA       ARG  40 -10.063  -5.651  -9.122
  248   1HB   ARG  40          2HB       ARG  40 -11.956  -4.537 -11.168
  249   2HB   ARG  40          1HB       ARG  40 -12.240  -5.919 -10.119
  250   1HG   ARG  40          2HG       ARG  40 -12.506  -4.596  -8.222
  251   2HG   ARG  40          1HG       ARG  40 -11.560  -3.267  -8.893
  252   1HD   ARG  40          2HD       ARG  40 -13.406  -2.892 -10.564
  253   2HD   ARG  40          1HD       ARG  40 -14.362  -4.093  -9.696
  254    HE   ARG  40           HE       ARG  40 -13.464  -2.160  -7.813
  255   1HH1  ARG  40          1HH2      ARG  40 -14.112  -0.176  -9.857
  256   2HH1  ARG  40          2HH2      ARG  40 -15.819   0.054  -9.669
  257   1HH2  ARG  40          1HH1      ARG  40 -16.283  -2.868  -7.862
  258   2HH2  ARG  40          2HH1      ARG  40 -17.049  -1.471  -8.541
  259    H    ALA  41           H        ALA  41  -9.876  -7.619 -10.229
  260    HA   ALA  41           HA       ALA  41  -8.018  -7.833 -12.304
  261   1HB   ALA  41          1HB       ALA  41  -8.357 -10.083 -12.115
  262   2HB   ALA  41          2HB       ALA  41 -10.105  -9.930 -12.293
  263   3HB   ALA  41          3HB       ALA  41  -9.347  -9.629 -10.728
  264    H    GLY  42           H        GLY  42  -8.953  -9.253 -14.427
  265   1HA   GLY  42          2HA       GLY  42  -9.810  -8.775 -16.570
  266   2HA   GLY  42          1HA       GLY  42 -11.322  -8.494 -15.696
  267    H    LYS  43           H        LYS  43  -8.519  -6.610 -14.894
  268    HA   LYS  43           HA       LYS  43  -9.896  -4.217 -15.967
  269   1HB   LYS  43          2HB       LYS  43  -9.380  -3.876 -13.700
  270   2HB   LYS  43          1HB       LYS  43  -7.807  -4.650 -13.849
  271   1HG   LYS  43          2HG       LYS  43  -7.494  -2.244 -13.663
  272   2HG   LYS  43          1HG       LYS  43  -7.058  -2.752 -15.294
  273   1HD   LYS  43          2HD       LYS  43  -9.274  -2.068 -16.114
  274   2HD   LYS  43          1HD       LYS  43  -9.737  -1.584 -14.482
  275   1HE   LYS  43          2HE       LYS  43  -7.246  -0.334 -15.065
  276   2HE   LYS  43          1HE       LYS  43  -8.308  -0.063 -16.446
  277   1HZ   LYS  43          1HZ       LYS  43  -9.541   0.260 -13.844
  278   2HZ   LYS  43          2HZ       LYS  43  -9.693   1.208 -15.246
  279   3HZ   LYS  43          3HZ       LYS  43  -8.353   1.409 -14.222
  280    H    ILE  44           H        ILE  44  -9.062  -3.071 -17.675
  281    HA   ILE  44           HA       ILE  44  -6.760  -4.195 -19.074
  282    HB   ILE  44           HB       ILE  44  -8.701  -3.293 -20.307
  283   1HG1  ILE  44          2HG1      ILE  44  -7.439  -2.060 -21.966
  284   2HG1  ILE  44          1HG1      ILE  44  -6.223  -1.606 -20.770
  285   1HG2  ILE  44          1HG2      ILE  44  -7.870  -0.497 -19.746
  286   2HG2  ILE  44          2HG2      ILE  44  -8.743  -1.328 -18.459
  287   3HG2  ILE  44          3HG2      ILE  44  -9.477  -1.153 -20.053
  288   1HD1  ILE  44          1HD1      ILE  44  -5.305  -3.740 -20.690
  289   2HD1  ILE  44          2HD1      ILE  44  -5.798  -3.656 -22.382
  290   3HD1  ILE  44          3HD1      ILE  44  -6.801  -4.514 -21.213
  291    H    CYS  45           H        CYS  45  -4.922  -3.843 -17.871
  292    HA   CYS  45           HA       CYS  45  -4.279  -1.237 -16.700
  293   1HB   CYS  45          2HB       CYS  45  -2.038  -2.352 -16.307
  294   2HB   CYS  45          1HB       CYS  45  -3.415  -3.149 -15.551
  295    H    ARG  46           H        ARG  46  -4.269  -2.317 -19.850
  296    HA   ARG  46           HA       ARG  46  -2.631  -0.099 -20.720
  297   1HB   ARG  46          2HB       ARG  46  -1.298  -2.589 -20.170
  298   2HB   ARG  46          1HB       ARG  46  -1.221  -2.253 -21.900
  299   1HG   ARG  46          2HG       ARG  46  -0.002  -0.308 -21.612
  300   2HG   ARG  46          1HG       ARG  46  -0.677   0.002 -20.012
  301   1HD   ARG  46          2HD       ARG  46   0.885  -1.291 -18.956
  302   2HD   ARG  46          1HD       ARG  46   0.947  -2.468 -20.267
  303    HE   ARG  46           HE       ARG  46   2.144  -0.238 -21.365
  304   1HH1  ARG  46          1HH1      ARG  46   2.695  -2.544 -18.900
  305   2HH1  ARG  46          2HH1      ARG  46   4.314  -2.022 -18.572
  306   1HH2  ARG  46          1HH2      ARG  46   4.180   0.657 -20.769
  307   2HH2  ARG  46          2HH2      ARG  46   5.154  -0.211 -19.631
  308    H    ILE  47           H        ILE  47  -1.867  -0.999 -23.225
  309    HA   ILE  47           HA       ILE  47  -4.178  -2.295 -24.508
  310    HB   ILE  47           HB       ILE  47  -4.832   0.108 -24.327
  311   1HG1  ILE  47          2HG1      ILE  47  -5.308   0.422 -26.743
  312   2HG1  ILE  47          1HG1      ILE  47  -4.149  -0.850 -27.128
  313   1HG2  ILE  47          1HG2      ILE  47  -2.932   1.028 -26.346
  314   2HG2  ILE  47          2HG2      ILE  47  -2.132   0.545 -24.851
  315   3HG2  ILE  47          3HG2      ILE  47  -3.392   1.779 -24.819
  316   1HD1  ILE  47          1HD1      ILE  47  -5.521  -2.531 -26.334
  317   2HD1  ILE  47          2HD1      ILE  47  -6.750  -1.382 -26.862
  318   3HD1  ILE  47          3HD1      ILE  47  -6.307  -1.479 -25.158
  319    H    ALA  48           H        ALA  48  -3.508  -3.330 -26.380
  320    HA   ALA  48           HA       ALA  48  -0.651  -3.289 -26.947
  321   1HB   ALA  48          1HB       ALA  48  -1.684  -4.962 -28.804
  322   2HB   ALA  48          2HB       ALA  48  -2.941  -5.026 -27.568
  323   3HB   ALA  48          3HB       ALA  48  -1.279  -5.453 -27.160
  324    H    LYS  49           H        LYS  49   0.303  -2.719 -28.950
  325    HA   LYS  49           HA       LYS  49  -1.492  -1.275 -30.845
  326   1HB   LYS  49          2HB       LYS  49   0.082   0.486 -31.084
  327   2HB   LYS  49          1HB       LYS  49  -0.241   0.306 -29.365
  328   1HG   LYS  49          2HG       LYS  49   1.853  -0.592 -28.922
  329   2HG   LYS  49          1HG       LYS  49   2.046  -1.224 -30.555
  330   1HD   LYS  49          2HD       LYS  49   1.821   1.584 -30.815
  331   2HD   LYS  49          1HD       LYS  49   2.945   1.296 -29.486
  332   1HE   LYS  49          2HE       LYS  49   3.128   0.063 -32.252
  333   2HE   LYS  49          1HE       LYS  49   4.145   1.366 -31.636
  334   1HZ   LYS  49          1HZ       LYS  49   5.152  -0.039 -30.105
  335   2HZ   LYS  49          2HZ       LYS  49   5.034  -1.001 -31.500
  336   3HZ   LYS  49          3HZ       LYS  49   3.937  -1.217 -30.221
  337    H    GLY  50           H        GLY  50   0.726  -3.701 -30.446
  338   1HA   GLY  50          2HA       GLY  50   1.422  -3.685 -33.335
  339   2HA   GLY  50          1HA       GLY  50   2.540  -4.304 -32.111
  340    H    ASP  51           H        ASP  51   2.000  -6.261 -31.059
  341    HA   ASP  51           HA       ASP  51   0.325  -8.151 -32.442
  342   1HB   ASP  51          2HB       ASP  51   1.980  -8.066 -30.041
  343   2HB   ASP  51          1HB       ASP  51   0.519  -9.009 -29.811
  344    H    TRP  52           H        TRP  52  -1.650  -9.123 -30.818
  345    HA   TRP  52           HA       TRP  52  -2.671  -6.804 -29.360
  346   1HB   TRP  52          2HB       TRP  52  -3.937  -7.827 -31.847
  347   2HB   TRP  52          1HB       TRP  52  -4.904  -7.008 -30.604
  348    HD1  TRP  52           HD1      TRP  52  -3.458  -4.730 -29.559
  349    HE1  TRP  52           HE1      TRP  52  -2.424  -2.847 -30.932
  350    HE3  TRP  52           HE3      TRP  52  -2.905  -7.114 -34.032
  351    HZ2  TRP  52           HZ2      TRP  52  -1.437  -2.400 -33.519
  352    HZ3  TRP  52           HZ3      TRP  52  -1.840  -5.925 -35.928
  353    HH2  TRP  52           HH2      TRP  52  -1.112  -3.564 -35.687
  354    H    ASN  53           H        ASN  53  -2.904  -7.517 -27.528
  355    HA   ASN  53           HA       ASN  53  -4.999  -9.393 -26.808
  356   1HB   ASN  53          2HB       ASN  53  -2.199 -10.259 -26.906
  357   2HB   ASN  53          1HB       ASN  53  -2.863 -10.371 -25.275
  358   1HD2  ASN  53          1HD2      ASN  53  -3.778 -12.389 -24.904
  359   2HD2  ASN  53          2HD2      ASN  53  -4.580 -13.329 -26.066
  360    H    ASP  54           H        ASP  54  -5.817  -7.581 -25.683
  361    HA   ASP  54           HA       ASP  54  -4.304  -5.693 -24.244
  362   1HB   ASP  54          2HB       ASP  54  -6.471  -5.354 -22.922
  363   2HB   ASP  54          1HB       ASP  54  -6.602  -5.205 -24.673
  364    H    ASP  55           H        ASP  55  -3.600  -5.551 -22.124
  365    HA   ASP  55           HA       ASP  55  -3.313  -8.115 -20.706
  366   1HB   ASP  55          2HB       ASP  55  -1.821  -5.652 -20.891
  367   2HB   ASP  55          1HB       ASP  55  -2.097  -6.085 -19.206
  368    H    ARG  56           H        ARG  56  -5.018  -8.636 -19.413
  369    HA   ARG  56           HA       ARG  56  -6.610  -6.549 -18.099
  370   1HB   ARG  56          2HB       ARG  56  -6.818  -9.498 -17.622
  371   2HB   ARG  56          1HB       ARG  56  -8.081  -8.284 -17.481
  372   1HG   ARG  56          2HG       ARG  56  -7.109  -8.113 -20.131
  373   2HG   ARG  56          1HG       ARG  56  -7.319  -9.832 -19.794
  374   1HD   ARG  56          2HD       ARG  56  -9.605  -8.948 -18.720
  375   2HD   ARG  56          1HD       ARG  56  -9.359  -7.655 -19.893
  376    HE   ARG  56           HE       ARG  56  -9.456 -10.541 -20.678
  377   1HH1  ARG  56          1HH2      ARG  56 -11.651  -8.187 -20.662
  378   2HH1  ARG  56          2HH2      ARG  56 -11.792  -7.972 -22.375
  379   1HH2  ARG  56          1HH1      ARG  56  -8.965  -9.842 -23.109
  380   2HH2  ARG  56          2HH1      ARG  56 -10.270  -8.907 -23.760
  381    H    CYS  57           H        CYS  57  -6.977  -6.707 -15.723
  382    HA   CYS  57           HA       CYS  57  -4.400  -7.186 -14.331
  383   1HB   CYS  57          2HB       CYS  57  -5.840  -4.998 -14.117
  384   2HB   CYS  57          1HB       CYS  57  -6.826  -5.977 -13.041
  385    H    THR  58           H        THR  58  -4.487  -8.226 -12.215
  386    HA   THR  58           HA       THR  58  -6.373 -10.499 -12.186
  387    HB   THR  58           HB       THR  58  -4.903 -11.501 -10.606
  388    HG1  THR  58           HG1      THR  58  -4.168  -8.835 -10.156
  389   1HG2  THR  58          1HG2      THR  58  -3.397 -11.807 -12.246
  390   2HG2  THR  58          2HG2      THR  58  -2.588 -10.328 -11.729
  391   3HG2  THR  58          3HG2      THR  58  -3.832 -10.262 -12.977
  392    H    GLY  59           H        GLY  59  -6.699 -10.970  -9.492
  393   1HA   GLY  59          2HA       GLY  59  -8.441  -8.694  -8.739
  394   2HA   GLY  59          1HA       GLY  59  -8.494 -10.303  -8.026
  395    H    GLN  60           H        GLN  60  -5.292  -9.329  -8.298
  396    HA   GLN  60           HA       GLN  60  -5.202  -7.770  -5.807
  397   1HB   GLN  60          2HB       GLN  60  -3.817 -10.459  -5.879
  398   2HB   GLN  60          1HB       GLN  60  -3.990  -9.372  -4.503
  399   1HG   GLN  60          2HG       GLN  60  -6.443  -9.700  -4.559
  400   2HG   GLN  60          1HG       GLN  60  -6.254 -10.815  -5.913
  401   1HE2  GLN  60          1HE2      GLN  60  -5.991 -12.981  -5.359
  402   2HE2  GLN  60          2HE2      GLN  60  -5.519 -13.541  -3.828
  403    H    SER  61           H        SER  61  -4.290  -7.488  -8.634
  404    HA   SER  61           HA       SER  61  -1.329  -7.455  -8.199
  405   1HB   SER  61          2HB       SER  61  -2.299  -8.660 -10.223
  406   2HB   SER  61          1HB       SER  61  -2.784  -7.078 -10.827
  407    HG   SER  61           HG       SER  61  -0.699  -6.511 -11.035
  408    H    ALA  62           H        ALA  62  -0.195  -5.502  -8.372
  409    HA   ALA  62           HA       ALA  62  -1.901  -3.054  -8.555
  410   1HB   ALA  62          1HB       ALA  62  -0.870  -2.625  -6.577
  411   2HB   ALA  62          2HB       ALA  62   0.521  -2.200  -7.575
  412   3HB   ALA  62          3HB       ALA  62   0.396  -3.815  -6.876
  413    H    ASP  63           H        ASP  63   0.557  -4.830 -10.136
  414    HA   ASP  63           HA       ASP  63   1.273  -2.434 -11.765
  415   1HB   ASP  63          2HB       ASP  63   2.804  -5.002 -11.748
  416   2HB   ASP  63          1HB       ASP  63   3.355  -3.407 -12.239
  417    H    CYS  64           H        CYS  64   2.234  -3.694 -14.016
  418    HA   CYS  64           HA       CYS  64   0.172  -5.585 -14.946
  419   1HB   CYS  64          2HB       CYS  64  -0.929  -3.481 -15.370
  420   2HB   CYS  64          1HB       CYS  64   0.521  -2.810 -16.111
  421    HA   PRO  65           HA       PRO  65   3.699  -6.976 -17.098
  422   1HB   PRO  65          2HB       PRO  65   2.371  -8.900 -18.530
  423   2HB   PRO  65          1HB       PRO  65   2.846  -9.100 -16.845
  424   1HG   PRO  65          2HG       PRO  65   0.150  -8.608 -18.012
  425   2HG   PRO  65          1HG       PRO  65   0.585  -9.381 -16.479
  426   1HD   PRO  65          2HD       PRO  65  -0.363  -6.746 -16.787
  427   2HD   PRO  65          1HD       PRO  65   0.397  -7.420 -15.330
  428    H    ARG  66           H        ARG  66   4.060  -7.634 -19.608
  429    HA   ARG  66           HA       ARG  66   3.014  -5.345 -21.155
  430   1HB   ARG  66          2HB       ARG  66   4.889  -6.105 -22.773
  431   2HB   ARG  66          1HB       ARG  66   5.371  -5.355 -21.250
  432   1HG   ARG  66          2HG       ARG  66   6.006  -7.399 -20.296
  433   2HG   ARG  66          1HG       ARG  66   5.022  -8.338 -21.418
  434   1HD   ARG  66          2HD       ARG  66   6.795  -8.574 -22.781
  435   2HD   ARG  66          1HD       ARG  66   6.896  -6.821 -22.950
  436    HE   ARG  66           HE       ARG  66   8.802  -8.327 -21.576
  437   1HH1  ARG  66          1HH2      ARG  66   8.498  -5.230 -21.886
  438   2HH1  ARG  66          2HH2      ARG  66   8.649  -4.755 -20.228
  439   1HH2  ARG  66          1HH1      ARG  66   8.182  -7.958 -18.988
  440   2HH2  ARG  66          2HH1      ARG  66   8.471  -6.297 -18.588
  441    H    TYR  67           H        TYR  67   3.280  -6.216 -23.728
  442    HA   TYR  67           HA       TYR  67   1.910  -8.786 -24.040
  443   1HB   TYR  67          2HB       TYR  67   0.278  -7.311 -25.640
  444   2HB   TYR  67          1HB       TYR  67  -0.137  -7.765 -23.989
  445    HD1  TYR  67           HD1      TYR  67   0.360  -6.158 -22.101
  446    HD2  TYR  67           HD2      TYR  67   0.672  -5.037 -26.236
  447    HE1  TYR  67           HE1      TYR  67   0.294  -3.764 -21.457
  448    HE2  TYR  67           HE2      TYR  67   0.607  -2.644 -25.592
  449    HH   TYR  67           HH       TYR  67   1.126  -1.557 -22.506
  450    H    HIS  68           HN       HIS  68   2.593  -5.783 -25.877
  451    HA   HIS  68           HA       HIS  68   3.813  -7.522 -27.981
  452   1HB   HIS  68          2HB       HIS  68   2.015  -6.349 -28.994
  453   2HB   HIS  68          1HB       HIS  68   2.389  -4.855 -28.137
  454    HD1  HIS  68           HD1      HIS  68   3.380  -3.194 -29.694
  455    HD2  HIS  68           HD2      HIS  68   4.603  -7.068 -30.632
  456    HE1  HIS  68           HE1      HIS  68   4.953  -2.991 -31.669
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1  15.331  -5.592  -1.783
    2   2H    GLY   1          2HT       GLY   1  14.030  -4.861  -0.972
    3   3H    GLY   1          3HT       GLY   1  14.681  -4.139  -2.366
    4   1HA   GLY   1          1HA       GLY   1  13.837  -5.804  -3.773
    5   2HA   GLY   1          2HA       GLY   1  13.445  -6.829  -2.393
    6    H    LYS   2           H        LYS   2  12.325  -4.319  -4.446
    7    HA   LYS   2           HA       LYS   2  10.388  -2.965  -4.380
    8   1HB   LYS   2          2HB       LYS   2   8.347  -4.325  -4.037
    9   2HB   LYS   2          1HB       LYS   2   9.517  -5.163  -5.057
   10   1HG   LYS   2          2HG       LYS   2  10.249  -6.538  -3.215
   11   2HG   LYS   2          1HG       LYS   2   9.298  -5.594  -2.068
   12   1HD   LYS   2          2HD       LYS   2   7.459  -6.383  -4.027
   13   2HD   LYS   2          1HD       LYS   2   8.462  -7.809  -3.754
   14   1HE   LYS   2          2HE       LYS   2   7.531  -6.288  -1.358
   15   2HE   LYS   2          1HE       LYS   2   6.349  -7.280  -2.211
   16   1HZ   LYS   2          1HZ       LYS   2   7.557  -8.462  -0.421
   17   2HZ   LYS   2          2HZ       LYS   2   8.995  -8.267  -1.303
   18   3HZ   LYS   2          3HZ       LYS   2   7.722  -9.191  -1.944
   19    H    GLU   3           H        GLU   3  11.987  -2.712  -1.985
   20    HA   GLU   3           HA       GLU   3  10.037  -2.709   0.235
   21   1HB   GLU   3          2HB       GLU   3  11.938  -2.009   1.622
   22   2HB   GLU   3          1HB       GLU   3  12.381  -3.415   0.653
   23   1HG   GLU   3          2HG       GLU   3  13.287  -1.739  -1.071
   24   2HG   GLU   3          1HG       GLU   3  13.149  -0.528   0.204
   25    H    CYS   4           H        CYS   4   9.483  -0.990  -1.981
   26    HA   CYS   4           HA       CYS   4   9.225   1.546  -0.533
   27   1HB   CYS   4          2HB       CYS   4  11.417   1.611  -1.854
   28   2HB   CYS   4          1HB       CYS   4  10.395   1.626  -3.268
   29    H    ASP   5           H        ASP   5   7.077   0.460  -0.664
   30    HA   ASP   5           HA       ASP   5   5.598  -0.113  -2.925
   31   1HB   ASP   5          2HB       ASP   5   5.008   0.039  -0.304
   32   2HB   ASP   5          1HB       ASP   5   4.178   1.490  -0.872
   33    H    CYS   6           H        CYS   6   6.735   3.038  -1.986
   34    HA   CYS   6           HA       CYS   6   5.076   4.183  -4.203
   35   1HB   CYS   6          2HB       CYS   6   4.875   6.249  -2.941
   36   2HB   CYS   6          1HB       CYS   6   4.335   4.913  -1.924
   37    H    SER   7           H        SER   7   6.090   6.246  -5.094
   38    HA   SER   7           HA       SER   7   9.066   6.162  -4.905
   39   1HB   SER   7          2HB       SER   7   7.465   5.478  -7.170
   40   2HB   SER   7          1HB       SER   7   8.330   6.968  -7.528
   41    HG   SER   7           HG       SER   7  10.185   5.931  -7.409
   42    H    SER   8           H        SER   8   6.715   7.945  -3.943
   43    HA   SER   8           HA       SER   8   7.987  10.492  -4.818
   44   1HB   SER   8          2HB       SER   8   5.574  11.452  -4.711
   45   2HB   SER   8          1HB       SER   8   6.038  10.530  -6.138
   46    HG   SER   8           HG       SER   8   4.502   9.202  -5.638
   47    HA   PRO   9           HA       PRO   9   7.889  10.964  -0.389
   48   1HB   PRO   9          2HB       PRO   9   9.157  13.400  -0.349
   49   2HB   PRO   9          1HB       PRO   9  10.003  11.860  -0.576
   50   1HG   PRO   9          2HG       PRO   9   9.383  13.971  -2.585
   51   2HG   PRO   9          1HG       PRO   9  10.685  12.770  -2.585
   52   1HD   PRO   9          2HD       PRO   9   8.282  12.632  -4.089
   53   2HD   PRO   9          1HD       PRO   9   9.452  11.316  -3.855
   54    H    GLU  10           H        GLU  10   5.850  12.361  -2.498
   55    HA   GLU  10           HA       GLU  10   4.719  14.183  -0.414
   56   1HB   GLU  10          2HB       GLU  10   5.722  15.451  -2.327
   57   2HB   GLU  10          1HB       GLU  10   4.600  14.627  -3.411
   58   1HG   GLU  10          2HG       GLU  10   2.734  15.716  -2.528
   59   2HG   GLU  10          1HG       GLU  10   3.535  16.056  -0.993
   60    H    ASN  11           H        ASN  11   4.272  11.394  -2.153
   61    HA   ASN  11           HA       ASN  11   1.519  11.587  -2.914
   62   1HB   ASN  11          2HB       ASN  11   3.554   9.640  -3.043
   63   2HB   ASN  11          1HB       ASN  11   2.251   8.908  -2.107
   64   1HD2  ASN  11          1HD2      ASN  11   2.437   7.649  -4.426
   65   2HD2  ASN  11          2HD2      ASN  11   1.315   8.189  -5.579
   66    HA   PRO  12           HA       PRO  12  -0.458  11.209   0.995
   67   1HB   PRO  12          2HB       PRO  12  -2.852  10.158   0.138
   68   2HB   PRO  12          1HB       PRO  12  -2.398  11.857  -0.076
   69   1HG   PRO  12          2HG       PRO  12  -2.489   9.669  -2.100
   70   2HG   PRO  12          1HG       PRO  12  -2.661  11.416  -2.330
   71   1HD   PRO  12          2HD       PRO  12  -0.335   9.894  -2.870
   72   2HD   PRO  12          1HD       PRO  12  -0.426  11.666  -2.778
   73    H    CYS  13           H        CYS  13  -0.476   8.402  -1.169
   74    HA   CYS  13           HA       CYS  13  -0.785   6.578   1.164
   75   1HB   CYS  13          2HB       CYS  13  -1.429   6.457  -1.694
   76   2HB   CYS  13          1HB       CYS  13  -0.588   5.013  -1.126
   77    H    CYS  14           H        CYS  14   1.684   8.105   0.710
   78    HA   CYS  14           HA       CYS  14   3.532   5.799   0.255
   79   1HB   CYS  14          2HB       CYS  14   3.816   7.153  -1.676
   80   2HB   CYS  14          1HB       CYS  14   3.718   8.645  -0.745
   81    H    ASP  15           H        ASP  15   5.505   5.886   1.448
   82    HA   ASP  15           HA       ASP  15   5.517   7.785   3.750
   83   1HB   ASP  15          2HB       ASP  15   4.862   5.174   4.041
   84   2HB   ASP  15          1HB       ASP  15   6.613   5.083   4.181
   85    H    ALA  16           H        ALA  16   7.296   9.031   3.358
   86    HA   ALA  16           HA       ALA  16   9.588   7.945   1.912
   87   1HB   ALA  16          1HB       ALA  16   8.505  10.417   1.967
   88   2HB   ALA  16          2HB       ALA  16  10.191  10.120   1.544
   89   3HB   ALA  16          3HB       ALA  16   9.769  10.619   3.181
   90    H    ALA  17           H        ALA  17   8.769   7.250   4.861
   91    HA   ALA  17           HA       ALA  17  11.429   7.858   6.082
   92   1HB   ALA  17          1HB       ALA  17  10.186   7.036   8.211
   93   2HB   ALA  17          2HB       ALA  17   8.717   7.244   7.257
   94   3HB   ALA  17          3HB       ALA  17   9.765   8.627   7.577
   95    H    THR  18           H        THR  18   9.402   5.417   4.802
   96    HA   THR  18           HA       THR  18  11.442   3.375   5.461
   97    HB   THR  18           HB       THR  18   8.659   3.486   6.411
   98    HG1  THR  18           HG1      THR  18  10.852   3.282   7.511
   99   1HG2  THR  18          1HG2      THR  18   8.311   1.734   4.784
  100   2HG2  THR  18          2HG2      THR  18   8.430   0.988   6.378
  101   3HG2  THR  18          3HG2      THR  18   9.802   0.930   5.273
  102    H    CYS  19           H        CYS  19   9.874   4.972   3.114
  103    HA   CYS  19           HA       CYS  19   9.291   4.481   0.888
  104   1HB   CYS  19          2HB       CYS  19  11.668   3.003   1.535
  105   2HB   CYS  19          1HB       CYS  19  10.688   2.095   0.407
  106    H    LYS  20           H        LYS  20   7.112   3.940   1.633
  107    HA   LYS  20           HA       LYS  20   6.173   1.453   0.623
  108   1HB   LYS  20          2HB       LYS  20   6.904   1.469   3.508
  109   2HB   LYS  20          1HB       LYS  20   5.355   0.737   3.085
  110   1HG   LYS  20          2HG       LYS  20   6.992  -0.313   1.152
  111   2HG   LYS  20          1HG       LYS  20   8.088  -0.217   2.531
  112   1HD   LYS  20          2HD       LYS  20   5.622  -1.176   3.537
  113   2HD   LYS  20          1HD       LYS  20   5.952  -2.091   2.066
  114   1HE   LYS  20          2HE       LYS  20   7.930  -1.688   4.329
  115   2HE   LYS  20          1HE       LYS  20   6.968  -3.147   4.080
  116   1HZ   LYS  20          1HZ       LYS  20   8.006  -3.478   1.961
  117   2HZ   LYS  20          2HZ       LYS  20   9.220  -3.296   3.136
  118   3HZ   LYS  20          3HZ       LYS  20   8.852  -2.012   2.086
  119    H    LEU  21           H        LEU  21   3.795   1.069   1.521
  120    HA   LEU  21           HA       LEU  21   2.294   3.417   0.989
  121   1HB   LEU  21          2HB       LEU  21   1.703   0.714   2.092
  122   2HB   LEU  21          1HB       LEU  21   0.502   1.972   2.381
  123    HG   LEU  21           HG       LEU  21   1.645   1.288  -0.341
  124   1HD1  LEU  21          1HD1      LEU  21  -0.336  -0.048   1.230
  125   2HD1  LEU  21          2HD1      LEU  21   0.142  -0.384  -0.433
  126   3HD1  LEU  21          3HD1      LEU  21  -1.155   0.765  -0.104
  127   1HD2  LEU  21          1HD2      LEU  21   0.665   3.207  -1.003
  128   2HD2  LEU  21          2HD2      LEU  21   0.207   3.544   0.666
  129   3HD2  LEU  21          3HD2      LEU  21  -0.884   2.635  -0.381
  130    H    ARG  22           H        ARG  22   1.700   5.108   2.285
  131    HA   ARG  22           HA       ARG  22   2.787   5.263   4.973
  132   1HB   ARG  22          2HB       ARG  22   2.746   7.398   4.186
  133   2HB   ARG  22          1HB       ARG  22   1.409   7.078   3.089
  134   1HG   ARG  22          2HG       ARG  22  -0.196   7.291   4.903
  135   2HG   ARG  22          1HG       ARG  22   1.103   7.416   6.089
  136   1HD   ARG  22          2HD       ARG  22   0.560   9.387   3.847
  137   2HD   ARG  22          1HD       ARG  22   0.206   9.647   5.554
  138    HE   ARG  22           HE       ARG  22   2.983   8.994   5.228
  139   1HH1  ARG  22          1HH1      ARG  22   1.429  11.325   6.675
  140   2HH1  ARG  22          2HH1      ARG  22   2.217  12.682   5.941
  141   1HH2  ARG  22          1HH2      ARG  22   3.677  10.807   3.416
  142   2HH2  ARG  22          2HH2      ARG  22   3.489  12.389   4.095
  143    HA   PRO  23           HA       PRO  23  -1.793   4.900   6.283
  144   1HB   PRO  23          2HB       PRO  23  -3.658   4.476   4.312
  145   2HB   PRO  23          1HB       PRO  23  -3.166   6.089   4.856
  146   1HG   PRO  23          2HG       PRO  23  -2.434   4.643   2.350
  147   2HG   PRO  23          1HG       PRO  23  -2.551   6.387   2.643
  148   1HD   PRO  23          2HD       PRO  23  -0.155   4.900   2.533
  149   2HD   PRO  23          1HD       PRO  23  -0.335   6.538   3.196
  150    H    GLY  24           H        GLY  24  -3.780   3.049   5.515
  151   1HA   GLY  24          2HA       GLY  24  -2.198   0.524   5.502
  152   2HA   GLY  24          1HA       GLY  24  -3.844   0.685   6.115
  153    H    ALA  25           H        ALA  25  -3.149   2.295   3.149
  154    HA   ALA  25           HA       ALA  25  -5.157   0.924   1.683
  155   1HB   ALA  25          1HB       ALA  25  -4.340   2.103  -0.244
  156   2HB   ALA  25          2HB       ALA  25  -2.752   2.319   0.491
  157   3HB   ALA  25          3HB       ALA  25  -4.147   3.182   1.136
  158    H    GLN  26           H        GLN  26  -4.697  -0.342  -0.377
  159    HA   GLN  26           HA       GLN  26  -2.874  -2.553   0.287
  160   1HB   GLN  26          2HB       GLN  26  -5.311  -2.460  -0.959
  161   2HB   GLN  26          1HB       GLN  26  -4.222  -2.560  -2.342
  162   1HG   GLN  26          2HG       GLN  26  -3.816  -4.735  -1.935
  163   2HG   GLN  26          1HG       GLN  26  -3.356  -4.378  -0.270
  164   1HE2  GLN  26          1HE2      GLN  26  -5.013  -6.668  -1.232
  165   2HE2  GLN  26          2HE2      GLN  26  -6.507  -6.526  -0.436
  166    H    CYS  27           H        CYS  27  -2.717   0.355  -1.457
  167    HA   CYS  27           HA       CYS  27  -0.028  -0.071  -2.294
  168   1HB   CYS  27          2HB       CYS  27  -0.413  -0.117  -4.769
  169   2HB   CYS  27          1HB       CYS  27  -0.983  -1.574  -3.961
  170    H    GLY  28           H        GLY  28   0.830   1.844  -3.372
  171   1HA   GLY  28          2HA       GLY  28  -0.985   4.196  -3.054
  172   2HA   GLY  28          1HA       GLY  28   0.770   4.263  -2.894
  173    H    GLU  29           H        GLU  29   0.562   2.269  -5.378
  174    HA   GLU  29           HA       GLU  29  -0.389   3.846  -7.564
  175   1HB   GLU  29          2HB       GLU  29   1.644   4.793  -8.433
  176   2HB   GLU  29          1HB       GLU  29   1.529   5.290  -6.744
  177   1HG   GLU  29          2HG       GLU  29   3.145   3.687  -6.050
  178   2HG   GLU  29          1HG       GLU  29   3.054   2.817  -7.582
  179    H    GLY  30           H        GLY  30  -0.278   2.646  -9.473
  180   1HA   GLY  30          2HA       GLY  30   1.642   0.641 -10.063
  181   2HA   GLY  30          1HA       GLY  30   0.261  -0.142  -9.294
  182    H    LEU  31           H        LEU  31   0.896  -0.732 -11.949
  183    HA   LEU  31           HA       LEU  31  -0.495   0.881 -13.861
  184   1HB   LEU  31          2HB       LEU  31   0.840  -1.680 -13.806
  185   2HB   LEU  31          1HB       LEU  31  -0.598  -1.734 -14.815
  186    HG   LEU  31           HG       LEU  31   1.537  -1.015 -15.994
  187   1HD1  LEU  31          1HD1      LEU  31  -0.557  -0.508 -17.041
  188   2HD1  LEU  31          2HD1      LEU  31   0.385   0.983 -17.086
  189   3HD1  LEU  31          3HD1      LEU  31  -0.895   0.785 -15.889
  190   1HD2  LEU  31          1HD2      LEU  31   2.132   0.446 -13.896
  191   2HD2  LEU  31          2HD2      LEU  31   1.102   1.652 -14.668
  192   3HD2  LEU  31          3HD2      LEU  31   2.534   1.049 -15.504
  193    H    CYS  32           H        CYS  32  -1.622  -1.139 -11.375
  194    HA   CYS  32           HA       CYS  32  -4.388  -0.871 -12.391
  195   1HB   CYS  32          2HB       CYS  32  -3.458  -3.546 -11.355
  196   2HB   CYS  32          1HB       CYS  32  -4.914  -3.170 -12.276
  197    H    CYS  33           H        CYS  33  -3.882   0.717 -10.457
  198    HA   CYS  33           HA       CYS  33  -4.874  -0.650  -8.013
  199   1HB   CYS  33          2HB       CYS  33  -2.253   0.569  -8.340
  200   2HB   CYS  33          1HB       CYS  33  -3.168   1.335  -7.039
  201    H    GLU  34           H        GLU  34  -6.729   0.341  -7.489
  202    HA   GLU  34           HA       GLU  34  -7.527   2.888  -8.547
  203   1HB   GLU  34          2HB       GLU  34  -8.829   0.782  -7.404
  204   2HB   GLU  34          1HB       GLU  34  -8.870   1.966  -6.103
  205   1HG   GLU  34          2HG       GLU  34 -10.513   3.083  -7.157
  206   2HG   GLU  34          1HG       GLU  34  -9.453   3.326  -8.546
  207    H    GLN  35           H        GLN  35  -8.598   4.354  -6.508
  208    HA   GLN  35           HA       GLN  35  -6.401   5.845  -5.531
  209   1HB   GLN  35          2HB       GLN  35  -9.268   5.940  -5.349
  210   2HB   GLN  35          1HB       GLN  35  -8.582   6.218  -3.748
  211   1HG   GLN  35          2HG       GLN  35  -7.116   7.636  -5.842
  212   2HG   GLN  35          1HG       GLN  35  -8.812   8.116  -5.766
  213   1HE2  GLN  35          1HE2      GLN  35  -5.745   8.236  -4.067
  214   2HE2  GLN  35          2HE2      GLN  35  -6.284   9.184  -2.767
  215    H    CYS  36           H        CYS  36  -4.935   4.376  -4.512
  216    HA   CYS  36           HA       CYS  36  -3.994   3.303  -2.652
  217   1HB   CYS  36          2HB       CYS  36  -6.316   4.732  -1.337
  218   2HB   CYS  36          1HB       CYS  36  -5.128   3.799  -0.428
  219    H    LYS  37           H        LYS  37  -5.586   1.695  -4.292
  220    HA   LYS  37           HA       LYS  37  -6.323  -0.405  -2.402
  221   1HB   LYS  37          2HB       LYS  37  -8.360   1.346  -3.527
  222   2HB   LYS  37          1HB       LYS  37  -8.627  -0.335  -3.987
  223   1HG   LYS  37          2HG       LYS  37  -7.879   0.144  -1.152
  224   2HG   LYS  37          1HG       LYS  37  -9.484   0.691  -1.639
  225   1HD   LYS  37          2HD       LYS  37  -9.717  -1.654  -2.729
  226   2HD   LYS  37          1HD       LYS  37  -8.350  -2.101  -1.707
  227   1HE   LYS  37          2HE       LYS  37  -9.649  -1.198   0.267
  228   2HE   LYS  37          1HE       LYS  37 -11.039  -1.038  -0.806
  229   1HZ   LYS  37          1HZ       LYS  37  -9.851  -3.602  -1.060
  230   2HZ   LYS  37          2HZ       LYS  37 -11.447  -3.194  -0.643
  231   3HZ   LYS  37          3HZ       LYS  37 -10.251  -3.295   0.560
  232    H    PHE  38           H        PHE  38  -6.382  -2.455  -3.435
  233    HA   PHE  38           HA       PHE  38  -4.924  -2.707  -5.887
  234   1HB   PHE  38          2HB       PHE  38  -6.549  -4.567  -4.181
  235   2HB   PHE  38          1HB       PHE  38  -6.079  -5.093  -5.792
  236    HD1  PHE  38           HD1      PHE  38  -3.698  -2.759  -4.532
  237    HD2  PHE  38           HD2      PHE  38  -4.893  -6.878  -4.270
  238    HE1  PHE  38           HE1      PHE  38  -1.443  -3.365  -3.703
  239    HE2  PHE  38           HE2      PHE  38  -2.638  -7.479  -3.438
  240    HZ   PHE  38           HZ       PHE  38  -0.913  -5.723  -3.153
  241    H    SER  39           H        SER  39  -5.665  -2.324  -7.937
  242    HA   SER  39           HA       SER  39  -8.340  -1.609  -8.530
  243   1HB   SER  39          2HB       SER  39  -6.161  -2.671 -10.302
  244   2HB   SER  39          1HB       SER  39  -7.708  -2.125 -10.923
  245    HG   SER  39           HG       SER  39  -7.110  -0.133 -10.599
  246    H    ARG  40           H        ARG  40  -9.677  -2.974 -10.228
  247    HA   ARG  40           HA       ARG  40  -9.979  -5.647  -9.028
  248   1HB   ARG  40          2HB       ARG  40 -11.797  -3.683  -9.969
  249   2HB   ARG  40          1HB       ARG  40 -11.968  -5.101 -11.003
  250   1HG   ARG  40          2HG       ARG  40 -13.264  -5.958  -9.360
  251   2HG   ARG  40          1HG       ARG  40 -11.760  -6.200  -8.470
  252   1HD   ARG  40          2HD       ARG  40 -11.991  -4.073  -7.356
  253   2HD   ARG  40          1HD       ARG  40 -13.359  -3.629  -8.377
  254    HE   ARG  40           HE       ARG  40 -14.605  -5.529  -7.253
  255   1HH1  ARG  40          1HH2      ARG  40 -11.521  -5.201  -5.936
  256   2HH1  ARG  40          2HH2      ARG  40 -12.043  -5.181  -4.284
  257   1HH2  ARG  40          1HH1      ARG  40 -15.417  -5.040  -5.075
  258   2HH2  ARG  40          2HH1      ARG  40 -14.250  -5.089  -3.797
  259    H    ALA  41           H        ALA  41 -10.119  -7.547 -10.409
  260    HA   ALA  41           HA       ALA  41  -8.187  -7.703 -12.452
  261   1HB   ALA  41          1HB       ALA  41  -8.894  -9.796 -11.668
  262   2HB   ALA  41          2HB       ALA  41  -9.684  -9.714 -13.242
  263   3HB   ALA  41          3HB       ALA  41 -10.601  -9.368 -11.777
  264    H    GLY  42           H        GLY  42  -9.037  -8.471 -14.845
  265   1HA   GLY  42          2HA       GLY  42  -9.988  -7.675 -16.844
  266   2HA   GLY  42          1HA       GLY  42 -11.322  -7.080 -15.863
  267    H    LYS  43           H        LYS  43  -8.039  -6.138 -15.108
  268    HA   LYS  43           HA       LYS  43  -8.779  -3.353 -15.796
  269   1HB   LYS  43          2HB       LYS  43  -8.000  -3.544 -13.550
  270   2HB   LYS  43          1HB       LYS  43  -6.628  -4.534 -14.040
  271   1HG   LYS  43          2HG       LYS  43  -5.862  -2.254 -13.602
  272   2HG   LYS  43          1HG       LYS  43  -5.728  -2.595 -15.323
  273   1HD   LYS  43          2HD       LYS  43  -7.635  -1.305 -15.852
  274   2HD   LYS  43          1HD       LYS  43  -8.198  -1.297 -14.181
  275   1HE   LYS  43          2HE       LYS  43  -6.777   0.393 -13.565
  276   2HE   LYS  43          1HE       LYS  43  -5.508  -0.129 -14.673
  277   1HZ   LYS  43          1HZ       LYS  43  -7.949   0.822 -15.915
  278   2HZ   LYS  43          2HZ       LYS  43  -6.328   1.106 -16.340
  279   3HZ   LYS  43          3HZ       LYS  43  -7.051   2.000 -15.089
  280    H    ILE  44           H        ILE  44  -8.009  -2.497 -17.663
  281    HA   ILE  44           HA       ILE  44  -6.029  -3.955 -19.210
  282    HB   ILE  44           HB       ILE  44  -7.789  -2.850 -20.410
  283   1HG1  ILE  44          2HG1      ILE  44  -6.413  -1.156 -21.779
  284   2HG1  ILE  44          1HG1      ILE  44  -5.079  -1.530 -20.686
  285   1HG2  ILE  44          1HG2      ILE  44  -8.671  -0.961 -19.588
  286   2HG2  ILE  44          2HG2      ILE  44  -7.190  -0.096 -20.003
  287   3HG2  ILE  44          3HG2      ILE  44  -7.357  -0.848 -18.416
  288   1HD1  ILE  44          1HD1      ILE  44  -6.535  -3.848 -21.862
  289   2HD1  ILE  44          2HD1      ILE  44  -4.816  -3.657 -21.516
  290   3HD1  ILE  44          3HD1      ILE  44  -5.513  -2.915 -22.955
  291    H    CYS  45           H        CYS  45  -4.026  -3.908 -18.253
  292    HA   CYS  45           HA       CYS  45  -2.916  -1.412 -17.164
  293   1HB   CYS  45          2HB       CYS  45  -0.928  -2.807 -16.694
  294   2HB   CYS  45          1HB       CYS  45  -2.396  -3.564 -16.099
  295    H    ARG  46           H        ARG  46  -3.446  -2.351 -20.219
  296    HA   ARG  46           HA       ARG  46  -1.620  -0.515 -21.396
  297   1HB   ARG  46          2HB       ARG  46  -0.523  -3.146 -20.842
  298   2HB   ARG  46          1HB       ARG  46  -0.528  -2.818 -22.575
  299   1HG   ARG  46          2HG       ARG  46   0.551  -0.602 -22.098
  300   2HG   ARG  46          1HG       ARG  46   0.685  -1.085 -20.406
  301   1HD   ARG  46          2HD       ARG  46   2.711  -1.516 -22.005
  302   2HD   ARG  46          1HD       ARG  46   2.229  -2.784 -20.877
  303    HE   ARG  46           HE       ARG  46   1.151  -3.949 -22.752
  304   1HH1  ARG  46          1HH2      ARG  46   0.832  -1.428 -24.457
  305   2HH1  ARG  46          2HH2      ARG  46   2.000  -1.723 -25.702
  306   1HH2  ARG  46          1HH1      ARG  46   3.624  -4.235 -23.947
  307   2HH2  ARG  46          2HH1      ARG  46   3.582  -3.312 -25.411
  308    H    ILE  47           H        ILE  47  -2.559   0.008 -23.324
  309    HA   ILE  47           HA       ILE  47  -4.635  -1.780 -24.409
  310    HB   ILE  47           HB       ILE  47  -5.112   0.622 -24.276
  311   1HG1  ILE  47          2HG1      ILE  47  -6.065   0.868 -26.404
  312   2HG1  ILE  47          1HG1      ILE  47  -4.697   0.115 -27.216
  313   1HG2  ILE  47          1HG2      ILE  47  -3.139   1.806 -24.445
  314   2HG2  ILE  47          2HG2      ILE  47  -3.718   1.980 -26.102
  315   3HG2  ILE  47          3HG2      ILE  47  -2.501   0.764 -25.717
  316   1HD1  ILE  47          1HD1      ILE  47  -6.740  -1.340 -27.148
  317   2HD1  ILE  47          2HD1      ILE  47  -6.612  -1.366 -25.390
  318   3HD1  ILE  47          3HD1      ILE  47  -5.334  -2.075 -26.378
  319    H    ALA  48           H        ALA  48  -2.109  -2.929 -24.609
  320    HA   ALA  48           HA       ALA  48  -0.511  -3.729 -26.150
  321   1HB   ALA  48          1HB       ALA  48  -2.159  -3.821 -28.478
  322   2HB   ALA  48          2HB       ALA  48  -3.182  -4.161 -27.082
  323   3HB   ALA  48          3HB       ALA  48  -1.749  -5.141 -27.384
  324    H    LYS  49           H        LYS  49  -0.406  -3.346 -28.962
  325    HA   LYS  49           HA       LYS  49  -0.075  -0.418 -29.283
  326   1HB   LYS  49          2HB       LYS  49   1.999  -2.437 -30.058
  327   2HB   LYS  49          1HB       LYS  49   2.146  -0.688 -30.182
  328   1HG   LYS  49          2HG       LYS  49   1.563  -1.956 -27.519
  329   2HG   LYS  49          1HG       LYS  49   3.217  -1.927 -28.128
  330   1HD   LYS  49          2HD       LYS  49   2.512   0.639 -28.611
  331   2HD   LYS  49          1HD       LYS  49   1.503   0.313 -27.201
  332   1HE   LYS  49          2HE       LYS  49   3.618   1.145 -26.392
  333   2HE   LYS  49          1HE       LYS  49   3.565  -0.583 -26.045
  334   1HZ   LYS  49          1HZ       LYS  49   5.678   0.220 -27.057
  335   2HZ   LYS  49          2HZ       LYS  49   4.813   0.560 -28.481
  336   3HZ   LYS  49          3HZ       LYS  49   4.927  -1.037 -27.912
  337    H    GLY  50           H        GLY  50   0.665  -3.331 -31.110
  338   1HA   GLY  50          2HA       GLY  50  -0.363  -2.209 -33.573
  339   2HA   GLY  50          1HA       GLY  50   0.209  -3.860 -33.359
  340    H    ASP  51           H        ASP  51  -1.960  -3.241 -30.919
  341    HA   ASP  51           HA       ASP  51  -4.270  -3.612 -30.639
  342   1HB   ASP  51          2HB       ASP  51  -4.119  -2.873 -33.339
  343   2HB   ASP  51          1HB       ASP  51  -4.990  -4.405 -33.314
  344    H    TRP  52           H        TRP  52  -4.653  -5.501 -29.642
  345    HA   TRP  52           HA       TRP  52  -5.223  -7.945 -30.821
  346   1HB   TRP  52          2HB       TRP  52  -2.927  -9.115 -30.199
  347   2HB   TRP  52          1HB       TRP  52  -3.138  -8.344 -31.768
  348    HD1  TRP  52           HD1      TRP  52  -2.559  -6.430 -28.492
  349    HE1  TRP  52           HE1      TRP  52  -0.337  -5.150 -28.671
  350    HE3  TRP  52           HE3      TRP  52  -0.906  -8.174 -32.989
  351    HZ2  TRP  52           HZ2      TRP  52   1.850  -4.881 -30.493
  352    HZ3  TRP  52           HZ3      TRP  52   1.243  -7.380 -33.929
  353    HH2  TRP  52           HH2      TRP  52   2.624  -5.737 -32.690
  354    H    ASN  53           H        ASN  53  -4.125  -9.797 -29.011
  355    HA   ASN  53           HA       ASN  53  -5.705  -9.731 -26.785
  356   1HB   ASN  53          2HB       ASN  53  -2.983 -10.826 -27.285
  357   2HB   ASN  53          1HB       ASN  53  -3.507 -10.750 -25.603
  358   1HD2  ASN  53          1HD2      ASN  53  -4.178 -12.246 -28.740
  359   2HD2  ASN  53          2HD2      ASN  53  -5.272 -13.404 -28.153
  360    H    ASP  54           H        ASP  54  -6.094  -7.870 -25.639
  361    HA   ASP  54           HA       ASP  54  -4.036  -5.945 -25.002
  362   1HB   ASP  54          2HB       ASP  54  -6.899  -6.318 -24.325
  363   2HB   ASP  54          1HB       ASP  54  -5.952  -5.254 -23.292
  364    H    ASP  55           H        ASP  55  -3.774  -5.299 -22.574
  365    HA   ASP  55           HA       ASP  55  -3.006  -7.766 -21.112
  366   1HB   ASP  55          2HB       ASP  55  -2.306  -4.957 -20.349
  367   2HB   ASP  55          1HB       ASP  55  -1.462  -6.437 -19.915
  368    H    ARG  56           H        ARG  56  -3.908  -8.259 -19.115
  369    HA   ARG  56           HA       ARG  56  -5.943  -6.353 -18.029
  370   1HB   ARG  56          2HB       ARG  56  -6.586  -8.693 -19.252
  371   2HB   ARG  56          1HB       ARG  56  -6.342  -9.262 -17.601
  372   1HG   ARG  56          2HG       ARG  56  -8.566  -8.648 -17.500
  373   2HG   ARG  56          1HG       ARG  56  -7.803  -7.136 -17.007
  374   1HD   ARG  56          2HD       ARG  56  -9.455  -6.623 -18.704
  375   2HD   ARG  56          1HD       ARG  56  -7.856  -6.405 -19.413
  376    HE   ARG  56           HE       ARG  56  -8.169  -8.528 -20.608
  377   1HH1  ARG  56          1HH1      ARG  56 -10.154  -9.825 -18.794
  378   2HH1  ARG  56          2HH1      ARG  56 -11.632  -9.654 -19.679
  379   1HH2  ARG  56          1HH2      ARG  56 -10.391  -7.203 -21.797
  380   2HH2  ARG  56          2HH2      ARG  56 -11.767  -8.169 -21.380
  381    H    CYS  57           H        CYS  57  -6.108  -6.377 -15.722
  382    HA   CYS  57           HA       CYS  57  -3.757  -7.623 -14.378
  383   1HB   CYS  57          2HB       CYS  57  -5.520  -5.609 -13.027
  384   2HB   CYS  57          1HB       CYS  57  -3.798  -5.903 -12.812
  385    H    THR  58           H        THR  58  -4.227  -8.566 -12.214
  386    HA   THR  58           HA       THR  58  -6.703 -10.132 -12.309
  387    HB   THR  58           HB       THR  58  -5.739 -11.461 -10.620
  388    HG1  THR  58           HG1      THR  58  -4.067 -10.633  -9.288
  389   1HG2  THR  58          1HG2      THR  58  -4.257 -10.862 -12.842
  390   2HG2  THR  58          2HG2      THR  58  -3.843 -12.123 -11.682
  391   3HG2  THR  58          3HG2      THR  58  -3.102 -10.528 -11.552
  392    H    GLY  59           H        GLY  59  -7.485 -10.396  -9.720
  393   1HA   GLY  59          2HA       GLY  59  -8.607  -7.715  -9.162
  394   2HA   GLY  59          1HA       GLY  59  -9.180  -9.234  -8.476
  395    H    GLN  60           H        GLN  60  -5.759  -8.752  -8.480
  396    HA   GLN  60           HA       GLN  60  -5.668  -7.467  -5.853
  397   1HB   GLN  60          2HB       GLN  60  -4.413  -9.532  -4.904
  398   2HB   GLN  60          1HB       GLN  60  -6.176  -9.591  -4.967
  399   1HG   GLN  60          2HG       GLN  60  -6.183 -11.241  -6.524
  400   2HG   GLN  60          1HG       GLN  60  -4.865 -10.507  -7.438
  401   1HE2  GLN  60          1HE2      GLN  60  -5.612 -13.182  -5.540
  402   2HE2  GLN  60          2HE2      GLN  60  -4.041 -13.615  -5.066
  403    H    SER  61           H        SER  61  -4.444  -7.442  -8.701
  404    HA   SER  61           HA       SER  61  -1.583  -7.491  -7.818
  405   1HB   SER  61          2HB       SER  61  -2.000  -9.090  -9.619
  406   2HB   SER  61          1HB       SER  61  -2.763  -7.835 -10.591
  407    HG   SER  61           HG       SER  61  -0.065  -7.909  -9.694
  408    H    ALA  62           H        ALA  62  -0.770  -5.471  -7.531
  409    HA   ALA  62           HA       ALA  62  -2.141  -3.146  -8.676
  410   1HB   ALA  62          1HB       ALA  62   0.384  -3.359  -7.010
  411   2HB   ALA  62          2HB       ALA  62  -1.236  -3.024  -6.399
  412   3HB   ALA  62          3HB       ALA  62  -0.425  -1.851  -7.437
  413    H    ASP  63           H        ASP  63   0.550  -5.162  -9.501
  414    HA   ASP  63           HA       ASP  63   1.555  -3.123 -11.424
  415   1HB   ASP  63          2HB       ASP  63   2.720  -5.526 -10.127
  416   2HB   ASP  63          1HB       ASP  63   3.317  -5.090 -11.725
  417    H    CYS  64           H        CYS  64   2.282  -4.201 -13.602
  418    HA   CYS  64           HA       CYS  64   0.115  -6.082 -14.446
  419   1HB   CYS  64          2HB       CYS  64  -0.330  -4.003 -15.485
  420   2HB   CYS  64          1HB       CYS  64   1.357  -3.746 -15.903
  421    HA   PRO  65           HA       PRO  65   3.870  -8.388 -15.256
  422   1HB   PRO  65          2HB       PRO  65   2.703 -10.747 -14.502
  423   2HB   PRO  65          1HB       PRO  65   3.483  -9.650 -13.361
  424   1HG   PRO  65          2HG       PRO  65   0.607 -10.237 -13.744
  425   2HG   PRO  65          1HG       PRO  65   1.423  -9.514 -12.349
  426   1HD   PRO  65          2HD       PRO  65  -0.072  -8.155 -14.380
  427   2HD   PRO  65          1HD       PRO  65   0.833  -7.414 -13.045
  428    H    ARG  66           H        ARG  66   4.123  -8.838 -17.436
  429    HA   ARG  66           HA       ARG  66   2.629 -10.874 -18.757
  430   1HB   ARG  66          2HB       ARG  66   1.020  -8.773 -18.581
  431   2HB   ARG  66          1HB       ARG  66   1.964  -8.214 -19.963
  432   1HG   ARG  66          2HG       ARG  66   1.028  -9.731 -21.360
  433   2HG   ARG  66          1HG       ARG  66   1.158 -11.029 -20.173
  434   1HD   ARG  66          2HD       ARG  66  -0.807  -9.042 -19.359
  435   2HD   ARG  66          1HD       ARG  66  -1.191  -9.719 -20.941
  436    HE   ARG  66           HE       ARG  66  -0.490 -11.827 -19.116
  437   1HH1  ARG  66          1HH2      ARG  66  -2.489  -9.881 -17.727
  438   2HH1  ARG  66          2HH2      ARG  66  -3.981 -10.695 -18.065
  439   1HH2  ARG  66          1HH1      ARG  66  -2.614 -12.751 -20.499
  440   2HH2  ARG  66          2HH1      ARG  66  -4.051 -12.319 -19.634
  441    H    TYR  67           H        TYR  67   2.851  -9.186 -21.360
  442    HA   TYR  67           HA       TYR  67   5.729  -8.767 -21.579
  443   1HB   TYR  67          2HB       TYR  67   5.566 -10.447 -23.672
  444   2HB   TYR  67          1HB       TYR  67   6.042 -10.996 -22.065
  445    HD1  TYR  67           HD1      TYR  67   3.162 -10.676 -24.398
  446    HD2  TYR  67           HD2      TYR  67   4.661 -12.474 -20.798
  447    HE1  TYR  67           HE1      TYR  67   1.186 -12.171 -24.323
  448    HE2  TYR  67           HE2      TYR  67   2.685 -13.972 -20.722
  449    HH   TYR  67           HH       TYR  67   1.008 -14.895 -22.648
  450    H    HIS  68           HN       HIS  68   2.592  -9.039 -23.210
  451    HA   HIS  68           HA       HIS  68   3.465  -6.799 -24.992
  452   1HB   HIS  68          2HB       HIS  68   1.863  -9.277 -25.602
  453   2HB   HIS  68          1HB       HIS  68   1.671  -7.822 -26.581
  454    HD1  HIS  68           HD1      HIS  68   3.015 -10.533 -27.594
  455    HD2  HIS  68           HD2      HIS  68   5.057  -7.131 -26.314
  456    HE1  HIS  68           HE1      HIS  68   5.319 -10.643 -28.640
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1  14.605  -8.996  -3.569
    2   2H    GLY   1          2HT       GLY   1  15.503 -10.012  -2.546
    3   3H    GLY   1          3HT       GLY   1  16.265  -8.725  -3.350
    4   1HA   GLY   1          1HA       GLY   1  14.473  -8.665  -1.020
    5   2HA   GLY   1          2HA       GLY   1  16.013  -7.842  -1.262
    6    H    LYS   2           H        LYS   2  13.505  -6.602  -0.456
    7    HA   LYS   2           HA       LYS   2  13.530  -4.254  -1.995
    8   1HB   LYS   2          2HB       LYS   2  11.309  -4.573  -3.226
    9   2HB   LYS   2          1HB       LYS   2  12.696  -5.425  -3.905
   10   1HG   LYS   2          2HG       LYS   2  11.884  -7.486  -3.333
   11   2HG   LYS   2          1HG       LYS   2  11.158  -6.897  -1.839
   12   1HD   LYS   2          2HD       LYS   2   9.153  -6.668  -2.832
   13   2HD   LYS   2          1HD       LYS   2   9.856  -5.695  -4.124
   14   1HE   LYS   2          2HE       LYS   2  10.334  -8.646  -4.165
   15   2HE   LYS   2          1HE       LYS   2   8.742  -8.055  -4.641
   16   1HZ   LYS   2          1HZ       LYS   2  10.548  -6.397  -5.887
   17   2HZ   LYS   2          2HZ       LYS   2   9.620  -7.621  -6.614
   18   3HZ   LYS   2          3HZ       LYS   2  11.195  -7.955  -6.071
   19    H    GLU   3           H        GLU   3  11.867  -2.741  -1.274
   20    HA   GLU   3           HA       GLU   3   9.712  -3.536   0.451
   21   1HB   GLU   3          2HB       GLU   3  10.780  -2.430   2.542
   22   2HB   GLU   3          1HB       GLU   3  11.263  -4.079   2.144
   23   1HG   GLU   3          2HG       GLU   3  13.244  -2.720   2.651
   24   2HG   GLU   3          1HG       GLU   3  13.249  -3.191   0.951
   25    H    CYS   4           H        CYS   4  10.031  -1.746  -1.732
   26    HA   CYS   4           HA       CYS   4   9.294   0.788  -0.359
   27   1HB   CYS   4          2HB       CYS   4  11.144   0.450  -2.722
   28   2HB   CYS   4          1HB       CYS   4  10.310   1.970  -2.418
   29    H    ASP   5           H        ASP   5   7.114   0.122  -0.658
   30    HA   ASP   5           HA       ASP   5   5.918  -0.681  -3.092
   31   1HB   ASP   5          2HB       ASP   5   4.957  -0.522  -0.648
   32   2HB   ASP   5          1HB       ASP   5   4.441   1.084  -1.165
   33    H    CYS   6           H        CYS   6   6.803   2.525  -1.935
   34    HA   CYS   6           HA       CYS   6   5.693   3.643  -4.481
   35   1HB   CYS   6          2HB       CYS   6   5.362   5.739  -3.351
   36   2HB   CYS   6          1HB       CYS   6   4.680   4.488  -2.313
   37    H    SER   7           H        SER   7   6.960   5.576  -5.277
   38    HA   SER   7           HA       SER   7   9.877   5.071  -4.892
   39   1HB   SER   7          2HB       SER   7  10.182   6.070  -7.101
   40   2HB   SER   7          1HB       SER   7   8.983   4.784  -7.204
   41    HG   SER   7           HG       SER   7   7.587   6.225  -7.803
   42    H    SER   8           H        SER   8   7.453   7.167  -3.967
   43    HA   SER   8           HA       SER   8   9.409   9.403  -3.663
   44   1HB   SER   8          2HB       SER   8   6.728   9.376  -4.766
   45   2HB   SER   8          1HB       SER   8   6.863  10.517  -3.435
   46    HG   SER   8           HG       SER   8   8.903  10.413  -5.351
   47    HA   PRO   9           HA       PRO   9   8.545   8.725   0.641
   48   1HB   PRO   9          2HB       PRO   9  10.054  10.821   1.575
   49   2HB   PRO   9          1HB       PRO   9  10.749   9.287   1.025
   50   1HG   PRO   9          2HG       PRO   9  10.737  11.936  -0.340
   51   2HG   PRO   9          1HG       PRO   9  11.882  10.595  -0.506
   52   1HD   PRO   9          2HD       PRO   9   9.798  11.240  -2.317
   53   2HD   PRO   9          1HD       PRO   9  10.748   9.739  -2.303
   54    H    GLU  10           H        GLU  10   7.169  10.995  -1.258
   55    HA   GLU  10           HA       GLU  10   5.992  12.500   1.045
   56   1HB   GLU  10          2HB       GLU  10   6.614  13.270  -1.787
   57   2HB   GLU  10          1HB       GLU  10   5.271  14.061  -0.962
   58   1HG   GLU  10          2HG       GLU  10   7.277  15.379  -0.600
   59   2HG   GLU  10          1HG       GLU  10   6.831  14.610   0.924
   60    H    ASN  11           H        ASN  11   5.364  10.109  -1.248
   61    HA   ASN  11           HA       ASN  11   2.684  10.657  -2.004
   62   1HB   ASN  11          2HB       ASN  11   4.461   8.631  -2.498
   63   2HB   ASN  11          1HB       ASN  11   3.298   7.826  -1.446
   64   1HD2  ASN  11          1HD2      ASN  11   2.466   6.572  -3.306
   65   2HD2  ASN  11          2HD2      ASN  11   1.474   7.310  -4.468
   66    HA   PRO  12           HA       PRO  12   0.542  10.136   1.801
   67   1HB   PRO  12          2HB       PRO  12  -1.967   9.713   0.759
   68   2HB   PRO  12          1HB       PRO  12  -1.186  11.302   0.821
   69   1HG   PRO  12          2HG       PRO  12  -1.594   9.500  -1.523
   70   2HG   PRO  12          1HG       PRO  12  -1.443  11.264  -1.477
   71   1HD   PRO  12          2HD       PRO  12   0.591   9.457  -2.229
   72   2HD   PRO  12          1HD       PRO  12   0.821  11.173  -1.829
   73    H    CYS  13           H        CYS  13  -0.076   7.727  -0.760
   74    HA   CYS  13           HA       CYS  13  -0.888   5.710   1.238
   75   1HB   CYS  13          2HB       CYS  13  -1.340   6.126  -1.547
   76   2HB   CYS  13          1HB       CYS  13  -0.522   4.578  -1.352
   77    H    CYS  14           H        CYS  14   1.734   6.553   1.706
   78    HA   CYS  14           HA       CYS  14   3.122   4.016   1.428
   79   1HB   CYS  14          2HB       CYS  14   3.615   4.851  -0.778
   80   2HB   CYS  14          1HB       CYS  14   4.078   6.425  -0.129
   81    H    ASP  15           H        ASP  15   3.493   4.043   3.642
   82    HA   ASP  15           HA       ASP  15   4.199   6.137   5.313
   83   1HB   ASP  15          2HB       ASP  15   3.984   3.520   5.706
   84   2HB   ASP  15          1HB       ASP  15   5.734   3.610   5.579
   85    H    ALA  16           H        ALA  16   5.759   7.657   5.014
   86    HA   ALA  16           HA       ALA  16   7.982   7.280   3.232
   87   1HB   ALA  16          1HB       ALA  16   7.478   9.521   3.396
   88   2HB   ALA  16          2HB       ALA  16   8.751   9.440   4.615
   89   3HB   ALA  16          3HB       ALA  16   7.057   9.406   5.105
   90    H    ALA  17           H        ALA  17   7.458   6.372   6.480
   91    HA   ALA  17           HA       ALA  17  10.210   6.562   7.387
   92   1HB   ALA  17          1HB       ALA  17   7.943   4.840   8.435
   93   2HB   ALA  17          2HB       ALA  17   8.290   6.488   8.957
   94   3HB   ALA  17          3HB       ALA  17   9.447   5.198   9.281
   95    H    THR  18           H        THR  18   8.464   4.344   5.402
   96    HA   THR  18           HA       THR  18  10.881   2.627   5.284
   97    HB   THR  18           HB       THR  18   9.859   0.676   5.922
   98    HG1  THR  18           HG1      THR  18   7.903   0.120   5.253
   99   1HG2  THR  18          1HG2      THR  18   7.953   2.665   7.187
  100   2HG2  THR  18          2HG2      THR  18   9.550   2.255   7.813
  101   3HG2  THR  18          3HG2      THR  18   8.282   1.030   7.760
  102    H    CYS  19           H        CYS  19   9.496   4.614   3.524
  103    HA   CYS  19           HA       CYS  19   8.642   4.799   1.328
  104   1HB   CYS  19          2HB       CYS  19  10.136   3.801  -0.301
  105   2HB   CYS  19          1HB       CYS  19  11.093   4.341   1.073
  106    H    LYS  20           H        LYS  20   7.282   2.695   3.025
  107    HA   LYS  20           HA       LYS  20   6.450   0.883   0.806
  108   1HB   LYS  20          2HB       LYS  20   6.477   0.528   3.796
  109   2HB   LYS  20          1HB       LYS  20   5.449  -0.471   2.767
  110   1HG   LYS  20          2HG       LYS  20   7.766  -0.681   1.402
  111   2HG   LYS  20          1HG       LYS  20   8.411  -0.443   3.026
  112   1HD   LYS  20          2HD       LYS  20   6.368  -2.542   2.233
  113   2HD   LYS  20          1HD       LYS  20   8.076  -2.843   2.552
  114   1HE   LYS  20          2HE       LYS  20   7.861  -2.366   4.847
  115   2HE   LYS  20          1HE       LYS  20   6.346  -1.493   4.615
  116   1HZ   LYS  20          1HZ       LYS  20   6.515  -4.041   5.423
  117   2HZ   LYS  20          2HZ       LYS  20   6.305  -4.251   3.750
  118   3HZ   LYS  20          3HZ       LYS  20   5.160  -3.376   4.650
  119    H    LEU  21           H        LEU  21   4.096   0.299   0.855
  120    HA   LEU  21           HA       LEU  21   2.432   2.545   0.620
  121   1HB   LEU  21          2HB       LEU  21   1.999  -0.360   0.923
  122   2HB   LEU  21          1HB       LEU  21   0.642   0.658   1.400
  123    HG   LEU  21           HG       LEU  21   2.061   1.083  -1.231
  124   1HD1  LEU  21          1HD1      LEU  21   0.756  -1.271  -0.563
  125   2HD1  LEU  21          2HD1      LEU  21   1.006  -0.664  -2.201
  126   3HD1  LEU  21          3HD1      LEU  21  -0.502  -0.318  -1.353
  127   1HD2  LEU  21          1HD2      LEU  21  -0.798   1.552  -1.083
  128   2HD2  LEU  21          2HD2      LEU  21   0.492   2.678  -1.504
  129   3HD2  LEU  21          3HD2      LEU  21   0.051   2.435   0.186
  130    H    ARG  22           H        ARG  22   0.521   3.056   1.975
  131    HA   ARG  22           HA       ARG  22   1.310   3.187   4.811
  132   1HB   ARG  22          2HB       ARG  22  -0.470   4.761   5.078
  133   2HB   ARG  22          1HB       ARG  22   0.242   5.140   3.511
  134   1HG   ARG  22          2HG       ARG  22  -1.511   3.896   2.361
  135   2HG   ARG  22          1HG       ARG  22  -2.184   3.362   3.901
  136   1HD   ARG  22          2HD       ARG  22  -2.309   6.056   2.609
  137   2HD   ARG  22          1HD       ARG  22  -3.559   5.175   3.486
  138    HE   ARG  22           HE       ARG  22  -1.278   6.576   4.822
  139   1HH1  ARG  22          1HH2      ARG  22  -4.379   7.272   4.464
  140   2HH1  ARG  22          2HH2      ARG  22  -4.883   7.044   6.105
  141   1HH2  ARG  22          1HH1      ARG  22  -1.956   5.443   7.055
  142   2HH2  ARG  22          2HH1      ARG  22  -3.509   6.007   7.574
  143    HA   PRO  23           HA       PRO  23  -0.919  -0.533   5.633
  144   1HB   PRO  23          2HB       PRO  23  -1.211  -0.135   8.360
  145   2HB   PRO  23          1HB       PRO  23   0.268  -0.740   7.589
  146   1HG   PRO  23          2HG       PRO  23  -0.348   2.038   8.569
  147   2HG   PRO  23          1HG       PRO  23   1.190   1.153   8.601
  148   1HD   PRO  23          2HD       PRO  23   0.638   3.086   6.705
  149   2HD   PRO  23          1HD       PRO  23   1.715   1.714   6.402
  150    H    GLY  24           H        GLY  24  -2.762   0.262   4.424
  151   1HA   GLY  24          2HA       GLY  24  -5.205   0.283   5.857
  152   2HA   GLY  24          1HA       GLY  24  -4.804   1.955   5.449
  153    H    ALA  25           H        ALA  25  -3.621   1.718   3.008
  154    HA   ALA  25           HA       ALA  25  -5.873   1.041   1.277
  155   1HB   ALA  25          1HB       ALA  25  -4.588   2.138  -0.460
  156   2HB   ALA  25          2HB       ALA  25  -3.138   2.101   0.541
  157   3HB   ALA  25          3HB       ALA  25  -4.499   3.123   1.000
  158    H    GLN  26           H        GLN  26  -4.359   0.350  -1.038
  159    HA   GLN  26           HA       GLN  26  -2.950  -2.154  -0.322
  160   1HB   GLN  26          2HB       GLN  26  -5.660  -2.033  -1.321
  161   2HB   GLN  26          1HB       GLN  26  -4.619  -2.891  -2.456
  162   1HG   GLN  26          2HG       GLN  26  -4.382  -4.658  -1.060
  163   2HG   GLN  26          1HG       GLN  26  -4.109  -3.617   0.338
  164   1HE2  GLN  26          1HE2      GLN  26  -5.612  -5.318   1.398
  165   2HE2  GLN  26          2HE2      GLN  26  -7.284  -5.054   1.280
  166    H    CYS  27           H        CYS  27  -2.651   0.595  -1.814
  167    HA   CYS  27           HA       CYS  27  -0.651  -0.248  -3.647
  168   1HB   CYS  27          2HB       CYS  27  -1.697   0.088  -5.788
  169   2HB   CYS  27          1HB       CYS  27  -2.716  -1.036  -4.892
  170    H    GLY  28           H        GLY  28   0.654   1.505  -3.935
  171   1HA   GLY  28          2HA       GLY  28  -0.551   4.189  -3.404
  172   2HA   GLY  28          1HA       GLY  28   1.119   3.771  -3.025
  173    H    GLU  29           H        GLU  29   0.880   2.234  -5.799
  174    HA   GLU  29           HA       GLU  29   0.644   4.224  -7.821
  175   1HB   GLU  29          2HB       GLU  29   2.895   4.907  -8.215
  176   2HB   GLU  29          1HB       GLU  29   2.637   5.108  -6.480
  177   1HG   GLU  29          2HG       GLU  29   4.598   3.929  -6.361
  178   2HG   GLU  29          1HG       GLU  29   3.504   2.553  -6.498
  179    H    GLY  30           H        GLY  30   0.341   3.029  -9.627
  180   1HA   GLY  30          2HA       GLY  30   2.131   1.053 -10.600
  181   2HA   GLY  30          1HA       GLY  30   0.816   0.228  -9.764
  182    H    LEU  31           H        LEU  31   0.789  -0.413 -12.299
  183    HA   LEU  31           HA       LEU  31  -0.475   1.465 -14.086
  184   1HB   LEU  31          2HB       LEU  31   0.500  -1.213 -14.214
  185   2HB   LEU  31          1HB       LEU  31  -1.135  -1.175 -14.859
  186    HG   LEU  31           HG       LEU  31   0.577  -0.726 -16.601
  187   1HD1  LEU  31          1HD1      LEU  31  -1.708   0.232 -16.766
  188   2HD1  LEU  31          2HD1      LEU  31  -0.505   1.289 -17.504
  189   3HD1  LEU  31          3HD1      LEU  31  -1.152   1.670 -15.909
  190   1HD2  LEU  31          1HD2      LEU  31   1.364   1.316 -14.585
  191   2HD2  LEU  31          2HD2      LEU  31   1.431   1.816 -16.274
  192   3HD2  LEU  31          3HD2      LEU  31   2.364   0.423 -15.729
  193    H    CYS  32           H        CYS  32  -1.642  -0.661 -11.603
  194    HA   CYS  32           HA       CYS  32  -4.417   0.184 -12.290
  195   1HB   CYS  32          2HB       CYS  32  -4.029  -2.568 -11.195
  196   2HB   CYS  32          1HB       CYS  32  -5.270  -1.961 -12.290
  197    H    CYS  33           H        CYS  33  -3.793   1.726 -10.501
  198    HA   CYS  33           HA       CYS  33  -4.304   0.438  -7.848
  199   1HB   CYS  33          2HB       CYS  33  -2.007   1.149  -7.794
  200   2HB   CYS  33          1HB       CYS  33  -2.406   2.698  -8.535
  201    H    GLU  34           H        GLU  34  -6.476   0.949  -7.698
  202    HA   GLU  34           HA       GLU  34  -7.620   3.434  -8.590
  203   1HB   GLU  34          2HB       GLU  34  -8.971   2.045  -6.365
  204   2HB   GLU  34          1HB       GLU  34  -9.623   2.584  -7.905
  205   1HG   GLU  34          2HG       GLU  34  -8.074   0.650  -8.856
  206   2HG   GLU  34          1HG       GLU  34  -8.266   0.008  -7.225
  207    H    GLN  35           H        GLN  35  -9.082   4.406  -6.392
  208    HA   GLN  35           HA       GLN  35  -7.223   6.169  -5.188
  209   1HB   GLN  35          2HB       GLN  35  -9.919   5.304  -4.094
  210   2HB   GLN  35          1HB       GLN  35  -9.043   6.771  -3.655
  211   1HG   GLN  35          2HG       GLN  35 -10.109   6.082  -6.410
  212   2HG   GLN  35          1HG       GLN  35 -10.761   7.303  -5.317
  213   1HE2  GLN  35          1HE2      GLN  35  -8.460   8.593  -4.405
  214   2HE2  GLN  35          2HE2      GLN  35  -7.635   9.302  -5.709
  215    H    CYS  36           H        CYS  36  -5.487   4.928  -4.349
  216    HA   CYS  36           HA       CYS  36  -4.361   3.561  -2.807
  217   1HB   CYS  36          2HB       CYS  36  -6.420   5.060  -1.220
  218   2HB   CYS  36          1HB       CYS  36  -5.450   3.830  -0.425
  219    H    LYS  37           H        LYS  37  -5.982   2.016  -4.358
  220    HA   LYS  37           HA       LYS  37  -6.700  -0.138  -2.490
  221   1HB   LYS  37          2HB       LYS  37  -8.716   1.614  -3.424
  222   2HB   LYS  37          1HB       LYS  37  -8.894   0.122  -4.346
  223   1HG   LYS  37          2HG       LYS  37  -9.865  -0.837  -2.561
  224   2HG   LYS  37          1HG       LYS  37  -8.362  -0.632  -1.662
  225   1HD   LYS  37          2HD       LYS  37  -9.044   1.590  -0.936
  226   2HD   LYS  37          1HD       LYS  37 -10.497   1.504  -1.934
  227   1HE   LYS  37          2HE       LYS  37 -10.560  -0.828  -0.380
  228   2HE   LYS  37          1HE       LYS  37 -10.039   0.439   0.731
  229   1HZ   LYS  37          1HZ       LYS  37 -11.991   1.682  -0.595
  230   2HZ   LYS  37          2HZ       LYS  37 -12.228   0.841   0.862
  231   3HZ   LYS  37          3HZ       LYS  37 -12.578   0.092  -0.623
  232    H    PHE  38           H        PHE  38  -6.530  -2.161  -3.496
  233    HA   PHE  38           HA       PHE  38  -5.027  -2.339  -5.909
  234   1HB   PHE  38          2HB       PHE  38  -6.508  -4.269  -4.180
  235   2HB   PHE  38          1HB       PHE  38  -6.083  -4.798  -5.806
  236    HD1  PHE  38           HD1      PHE  38  -3.538  -3.396  -6.280
  237    HD2  PHE  38           HD2      PHE  38  -4.989  -5.367  -2.749
  238    HE1  PHE  38           HE1      PHE  38  -1.204  -3.799  -5.547
  239    HE2  PHE  38           HE2      PHE  38  -2.654  -5.769  -2.016
  240    HZ   PHE  38           HZ       PHE  38  -0.761  -4.986  -3.414
  241    H    SER  39           H        SER  39  -5.687  -2.145  -7.995
  242    HA   SER  39           HA       SER  39  -8.384  -1.553  -8.711
  243   1HB   SER  39          2HB       SER  39  -7.613  -1.449 -10.913
  244   2HB   SER  39          1HB       SER  39  -6.120  -1.192 -10.013
  245    HG   SER  39           HG       SER  39  -7.074  -3.533 -11.277
  246    H    ARG  40           H        ARG  40  -9.874  -2.923  -9.969
  247    HA   ARG  40           HA       ARG  40  -9.963  -5.626  -8.925
  248   1HB   ARG  40          2HB       ARG  40 -11.815  -3.791 -10.037
  249   2HB   ARG  40          1HB       ARG  40 -11.846  -5.241 -11.040
  250   1HG   ARG  40          2HG       ARG  40 -12.414  -6.633  -9.216
  251   2HG   ARG  40          1HG       ARG  40 -11.929  -5.419  -8.031
  252   1HD   ARG  40          2HD       ARG  40 -13.799  -3.982  -8.705
  253   2HD   ARG  40          1HD       ARG  40 -14.273  -5.152  -9.935
  254    HE   ARG  40           HE       ARG  40 -14.167  -6.394  -7.333
  255   1HH1  ARG  40          1HH1      ARG  40 -16.254  -6.304  -9.722
  256   2HH1  ARG  40          2HH1      ARG  40 -17.654  -5.798  -8.836
  257   1HH2  ARG  40          1HH2      ARG  40 -15.861  -4.878  -6.013
  258   2HH2  ARG  40          2HH2      ARG  40 -17.432  -4.990  -6.735
  259    H    ALA  41           H        ALA  41  -9.675  -7.553 -10.103
  260    HA   ALA  41           HA       ALA  41  -7.725  -7.625 -12.134
  261   1HB   ALA  41          1HB       ALA  41  -7.971  -9.774 -11.431
  262   2HB   ALA  41          2HB       ALA  41  -9.246  -9.877 -12.645
  263   3HB   ALA  41          3HB       ALA  41  -9.652  -9.518 -10.967
  264    H    GLY  42           H        GLY  42  -8.501  -8.910 -14.344
  265   1HA   GLY  42          2HA       GLY  42  -9.372  -8.447 -16.478
  266   2HA   GLY  42          1HA       GLY  42 -10.886  -8.146 -15.625
  267    H    LYS  43           H        LYS  43  -8.144  -6.250 -14.704
  268    HA   LYS  43           HA       LYS  43  -9.486  -3.829 -15.673
  269   1HB   LYS  43          2HB       LYS  43  -8.507  -3.579 -13.519
  270   2HB   LYS  43          1HB       LYS  43  -7.018  -4.375 -14.018
  271   1HG   LYS  43          2HG       LYS  43  -6.509  -2.044 -13.920
  272   2HG   LYS  43          1HG       LYS  43  -6.674  -2.421 -15.631
  273   1HD   LYS  43          2HD       LYS  43  -8.220  -0.789 -15.761
  274   2HD   LYS  43          1HD       LYS  43  -9.274  -1.797 -14.768
  275   1HE   LYS  43          2HE       LYS  43  -7.867  -0.808 -12.776
  276   2HE   LYS  43          1HE       LYS  43  -7.487   0.468 -13.932
  277   1HZ   LYS  43          1HZ       LYS  43 -10.261  -0.198 -13.941
  278   2HZ   LYS  43          2HZ       LYS  43  -9.513   1.314 -13.738
  279   3HZ   LYS  43          3HZ       LYS  43  -9.744   0.290 -12.402
  280    H    ILE  44           H        ILE  44  -8.265  -2.274 -17.124
  281    HA   ILE  44           HA       ILE  44  -6.581  -3.861 -18.994
  282    HB   ILE  44           HB       ILE  44  -8.573  -1.759 -19.353
  283   1HG1  ILE  44          2HG1      ILE  44  -8.709  -4.060 -20.250
  284   2HG1  ILE  44          1HG1      ILE  44  -8.767  -2.855 -21.538
  285   1HG2  ILE  44          1HG2      ILE  44  -7.385  -0.913 -21.456
  286   2HG2  ILE  44          2HG2      ILE  44  -5.907  -1.575 -20.759
  287   3HG2  ILE  44          3HG2      ILE  44  -6.776  -0.290 -19.922
  288   1HD1  ILE  44          1HD1      ILE  44  -6.082  -3.237 -21.351
  289   2HD1  ILE  44          2HD1      ILE  44  -7.117  -4.141 -22.457
  290   3HD1  ILE  44          3HD1      ILE  44  -6.662  -4.842 -20.904
  291    H    CYS  45           H        CYS  45  -4.502  -3.700 -18.317
  292    HA   CYS  45           HA       CYS  45  -3.460  -1.091 -17.374
  293   1HB   CYS  45          2HB       CYS  45  -1.399  -2.440 -16.884
  294   2HB   CYS  45          1HB       CYS  45  -2.838  -3.023 -16.050
  295    H    ARG  46           H        ARG  46  -3.609  -2.978 -20.237
  296    HA   ARG  46           HA       ARG  46  -2.040  -0.994 -21.688
  297   1HB   ARG  46          2HB       ARG  46  -0.711  -3.322 -20.667
  298   2HB   ARG  46          1HB       ARG  46  -0.787  -3.442 -22.425
  299   1HG   ARG  46          2HG       ARG  46   0.559  -1.614 -22.746
  300   2HG   ARG  46          1HG       ARG  46  -0.050  -0.784 -21.312
  301   1HD   ARG  46          2HD       ARG  46   1.189  -2.505 -19.920
  302   2HD   ARG  46          1HD       ARG  46   1.955  -3.050 -21.412
  303    HE   ARG  46           HE       ARG  46   2.520  -0.396 -21.481
  304   1HH1  ARG  46          1HH1      ARG  46   2.110  -0.040 -18.605
  305   2HH1  ARG  46          2HH1      ARG  46   3.647  -0.457 -17.924
  306   1HH2  ARG  46          1HH2      ARG  46   4.755  -2.109 -20.765
  307   2HH2  ARG  46          2HH2      ARG  46   5.143  -1.628 -19.146
  308    H    ILE  47           H        ILE  47  -2.027  -1.491 -24.052
  309    HA   ILE  47           HA       ILE  47  -4.363  -3.216 -24.778
  310    HB   ILE  47           HB       ILE  47  -4.869  -0.928 -25.309
  311   1HG1  ILE  47          2HG1      ILE  47  -4.836  -0.984 -27.849
  312   2HG1  ILE  47          1HG1      ILE  47  -3.901  -2.474 -27.729
  313   1HG2  ILE  47          1HG2      ILE  47  -2.708   0.096 -25.166
  314   2HG2  ILE  47          2HG2      ILE  47  -3.273   0.363 -26.815
  315   3HG2  ILE  47          3HG2      ILE  47  -2.081  -0.894 -26.485
  316   1HD1  ILE  47          1HD1      ILE  47  -5.862  -3.574 -27.567
  317   2HD1  ILE  47          2HD1      ILE  47  -6.760  -2.067 -27.377
  318   3HD1  ILE  47          3HD1      ILE  47  -6.043  -2.851 -25.969
  319    H    ALA  48           H        ALA  48  -4.056  -4.745 -26.411
  320    HA   ALA  48           HA       ALA  48  -1.559  -5.878 -26.876
  321   1HB   ALA  48          1HB       ALA  48  -2.577  -6.769 -29.041
  322   2HB   ALA  48          2HB       ALA  48  -3.998  -5.799 -28.669
  323   3HB   ALA  48          3HB       ALA  48  -3.505  -7.090 -27.575
  324    H    LYS  49           H        LYS  49  -0.070  -5.755 -28.686
  325    HA   LYS  49           HA       LYS  49   0.223  -3.023 -29.706
  326   1HB   LYS  49          2HB       LYS  49   1.961  -5.459 -29.815
  327   2HB   LYS  49          1HB       LYS  49   2.381  -3.966 -30.644
  328   1HG   LYS  49          2HG       LYS  49   1.590  -3.544 -27.854
  329   2HG   LYS  49          1HG       LYS  49   3.013  -4.576 -28.016
  330   1HD   LYS  49          2HD       LYS  49   3.486  -2.569 -29.868
  331   2HD   LYS  49          1HD       LYS  49   2.731  -1.704 -28.529
  332   1HE   LYS  49          2HE       LYS  49   4.674  -1.796 -27.402
  333   2HE   LYS  49          1HE       LYS  49   4.569  -3.556 -27.397
  334   1HZ   LYS  49          1HZ       LYS  49   5.608  -3.571 -29.592
  335   2HZ   LYS  49          2HZ       LYS  49   6.611  -2.835 -28.434
  336   3HZ   LYS  49          3HZ       LYS  49   5.750  -1.881 -29.547
  337    H    GLY  50           H        GLY  50   0.219  -6.268 -31.056
  338   1HA   GLY  50          2HA       GLY  50  -0.418  -5.178 -33.703
  339   2HA   GLY  50          1HA       GLY  50   0.015  -6.850 -33.370
  340    H    ASP  51           H        ASP  51  -1.709  -7.791 -31.619
  341    HA   ASP  51           HA       ASP  51  -4.369  -6.996 -31.515
  342   1HB   ASP  51          2HB       ASP  51  -3.648  -7.651 -34.189
  343   2HB   ASP  51          1HB       ASP  51  -4.731  -8.904 -33.590
  344    H    TRP  52           H        TRP  52  -4.708  -8.257 -29.718
  345    HA   TRP  52           HA       TRP  52  -5.299 -10.995 -29.892
  346   1HB   TRP  52          2HB       TRP  52  -3.108 -11.646 -28.435
  347   2HB   TRP  52          1HB       TRP  52  -3.201 -11.856 -30.182
  348    HD1  TRP  52           HD1      TRP  52  -2.660  -8.603 -28.190
  349    HE1  TRP  52           HE1      TRP  52  -0.472  -7.514 -28.996
  350    HE3  TRP  52           HE3      TRP  52  -1.093 -12.144 -31.478
  351    HZ2  TRP  52           HZ2      TRP  52   1.669  -8.074 -30.809
  352    HZ3  TRP  52           HZ3      TRP  52   1.022 -11.855 -32.742
  353    HH2  TRP  52           HH2      TRP  52   2.405  -9.822 -32.411
  354    H    ASN  53           H        ASN  53  -4.790 -12.010 -27.453
  355    HA   ASN  53           HA       ASN  53  -6.568 -10.842 -25.699
  356   1HB   ASN  53          2HB       ASN  53  -4.219 -12.615 -25.380
  357   2HB   ASN  53          1HB       ASN  53  -4.739 -11.780 -23.917
  358   1HD2  ASN  53          1HD2      ASN  53  -5.458 -13.967 -23.119
  359   2HD2  ASN  53          2HD2      ASN  53  -6.943 -14.596 -23.651
  360    H    ASP  54           H        ASP  54  -6.521  -9.201 -24.157
  361    HA   ASP  54           HA       ASP  54  -4.264  -7.292 -24.386
  362   1HB   ASP  54          2HB       ASP  54  -7.114  -7.103 -23.796
  363   2HB   ASP  54          1HB       ASP  54  -6.131  -6.162 -22.675
  364    H    ASP  55           H        ASP  55  -3.220  -6.473 -22.453
  365    HA   ASP  55           HA       ASP  55  -2.885  -8.532 -20.403
  366   1HB   ASP  55          2HB       ASP  55  -1.313  -6.451 -21.417
  367   2HB   ASP  55          1HB       ASP  55  -1.693  -5.973 -19.767
  368    H    ARG  56           H        ARG  56  -4.275  -8.678 -18.700
  369    HA   ARG  56           HA       ARG  56  -5.607  -6.180 -17.794
  370   1HB   ARG  56          2HB       ARG  56  -6.606  -8.939 -17.239
  371   2HB   ARG  56          1HB       ARG  56  -7.504  -7.428 -17.188
  372   1HG   ARG  56          2HG       ARG  56  -6.357  -7.762 -19.805
  373   2HG   ARG  56          1HG       ARG  56  -7.262  -9.215 -19.377
  374   1HD   ARG  56          2HD       ARG  56  -9.222  -7.838 -18.803
  375   2HD   ARG  56          1HD       ARG  56  -8.321  -6.378 -19.211
  376    HE   ARG  56           HE       ARG  56  -8.317  -7.133 -21.562
  377   1HH1  ARG  56          1HH2      ARG  56 -11.184  -7.232 -20.203
  378   2HH1  ARG  56          2HH2      ARG  56 -11.818  -8.624 -21.016
  379   1HH2  ARG  56          1HH1      ARG  56  -8.736  -9.636 -22.245
  380   2HH2  ARG  56          2HH1      ARG  56 -10.431  -9.986 -22.172
  381    H    CYS  57           H        CYS  57  -5.661  -5.698 -15.610
  382    HA   CYS  57           HA       CYS  57  -3.515  -6.834 -14.005
  383   1HB   CYS  57          2HB       CYS  57  -5.702  -5.180 -12.785
  384   2HB   CYS  57          1HB       CYS  57  -3.969  -5.144 -12.468
  385    H    THR  58           H        THR  58  -3.950  -7.822 -11.846
  386    HA   THR  58           HA       THR  58  -6.216  -9.718 -12.049
  387    HB   THR  58           HB       THR  58  -5.074 -10.971 -10.294
  388    HG1  THR  58           HG1      THR  58  -3.224  -8.823 -10.296
  389   1HG2  THR  58          1HG2      THR  58  -3.593 -10.036 -12.700
  390   2HG2  THR  58          2HG2      THR  58  -4.087 -11.668 -12.245
  391   3HG2  THR  58          3HG2      THR  58  -2.671 -10.933 -11.493
  392    H    GLY  59           H        GLY  59  -6.711 -10.269  -9.390
  393   1HA   GLY  59          2HA       GLY  59  -8.029  -7.746  -8.536
  394   2HA   GLY  59          1HA       GLY  59  -8.478  -9.366  -8.000
  395    H    GLN  60           H        GLN  60  -5.103  -8.778  -8.077
  396    HA   GLN  60           HA       GLN  60  -5.007  -7.829  -5.283
  397   1HB   GLN  60          2HB       GLN  60  -4.027 -10.553  -6.166
  398   2HB   GLN  60          1HB       GLN  60  -3.503  -9.780  -4.669
  399   1HG   GLN  60          2HG       GLN  60  -6.355 -10.476  -5.429
  400   2HG   GLN  60          1HG       GLN  60  -5.380 -11.270  -4.193
  401   1HE2  GLN  60          1HE2      GLN  60  -4.206  -8.518  -3.452
  402   2HE2  GLN  60          2HE2      GLN  60  -5.421  -7.793  -2.513
  403    H    SER  61           H        SER  61  -3.964  -7.321  -8.231
  404    HA   SER  61           HA       SER  61  -1.185  -6.684  -7.328
  405   1HB   SER  61          2HB       SER  61  -1.354  -8.639  -8.975
  406   2HB   SER  61          1HB       SER  61  -1.888  -7.456 -10.165
  407    HG   SER  61           HG       SER  61   0.594  -8.000  -9.299
  408    H    ALA  62           H        ALA  62  -0.533  -4.602  -7.782
  409    HA   ALA  62           HA       ALA  62  -2.510  -2.885  -9.213
  410   1HB   ALA  62          1HB       ALA  62  -2.232  -1.619  -7.359
  411   2HB   ALA  62          2HB       ALA  62  -0.651  -1.200  -8.018
  412   3HB   ALA  62          3HB       ALA  62  -0.803  -2.525  -6.863
  413    H    ASP  63           H        ASP  63  -0.176  -4.630 -10.270
  414    HA   ASP  63           HA       ASP  63   1.111  -2.461 -11.881
  415   1HB   ASP  63          2HB       ASP  63   2.475  -5.073 -11.522
  416   2HB   ASP  63          1HB       ASP  63   3.175  -3.475 -11.736
  417    H    CYS  64           H        CYS  64   2.228  -3.834 -13.887
  418    HA   CYS  64           HA       CYS  64   0.247  -5.778 -14.916
  419   1HB   CYS  64          2HB       CYS  64  -0.589  -3.592 -15.664
  420   2HB   CYS  64          1HB       CYS  64   0.982  -3.223 -16.374
  421    HA   PRO  65           HA       PRO  65   4.151  -7.378 -16.217
  422   1HB   PRO  65          2HB       PRO  65   3.106  -9.805 -16.931
  423   2HB   PRO  65          1HB       PRO  65   3.500  -9.374 -15.267
  424   1HG   PRO  65          2HG       PRO  65   0.848  -9.644 -16.579
  425   2HG   PRO  65          1HG       PRO  65   1.264  -9.755 -14.860
  426   1HD   PRO  65          2HD       PRO  65   0.087  -7.528 -16.173
  427   2HD   PRO  65          1HD       PRO  65   0.728  -7.563 -14.517
  428    H    ARG  66           H        ARG  66   4.178  -9.262 -18.357
  429    HA   ARG  66           HA       ARG  66   2.956  -7.785 -20.612
  430   1HB   ARG  66          2HB       ARG  66   5.380  -8.731 -21.624
  431   2HB   ARG  66          1HB       ARG  66   4.996  -7.053 -21.249
  432   1HG   ARG  66          2HG       ARG  66   6.994  -7.500 -20.046
  433   2HG   ARG  66          1HG       ARG  66   5.713  -7.605 -18.839
  434   1HD   ARG  66          2HD       ARG  66   6.665  -9.616 -18.350
  435   2HD   ARG  66          1HD       ARG  66   5.760 -10.174 -19.759
  436    HE   ARG  66           HE       ARG  66   8.014  -9.402 -20.977
  437   1HH1  ARG  66          1HH2      ARG  66   8.975  -9.502 -17.956
  438   2HH1  ARG  66          2HH2      ARG  66   9.859 -10.990 -18.004
  439   1HH2  ARG  66          1HH1      ARG  66   8.549 -11.976 -21.060
  440   2HH2  ARG  66          2HH1      ARG  66   9.617 -12.391 -19.762
  441    H    TYR  67           H        TYR  67   1.431  -9.631 -20.449
  442    HA   TYR  67           HA       TYR  67   2.457 -12.286 -21.089
  443   1HB   TYR  67          2HB       TYR  67   0.192 -11.348 -19.815
  444   2HB   TYR  67          1HB       TYR  67  -0.412 -11.898 -21.375
  445    HD1  TYR  67           HD1      TYR  67   2.449 -13.173 -19.340
  446    HD2  TYR  67           HD2      TYR  67  -1.446 -13.973 -20.963
  447    HE1  TYR  67           HE1      TYR  67   2.616 -15.527 -18.580
  448    HE2  TYR  67           HE2      TYR  67  -1.279 -16.327 -20.205
  449    HH   TYR  67           HH       TYR  67   1.697 -17.642 -18.941
  450    H    HIS  68           HN       HIS  68   1.628  -9.525 -22.852
  451    HA   HIS  68           HA       HIS  68   0.677 -10.997 -25.226
  452   1HB   HIS  68          2HB       HIS  68   0.605  -8.721 -26.256
  453   2HB   HIS  68          1HB       HIS  68  -0.327  -8.823 -24.763
  454    HD1  HIS  68           HD1      HIS  68   0.206  -6.098 -24.891
  455    HD2  HIS  68           HD2      HIS  68   3.363  -8.622 -23.875
  456    HE1  HIS  68           HE1      HIS  68   1.965  -4.640 -23.797
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1   9.213  -7.238  -2.097
    2   2H    GLY   1          2HT       GLY   1   9.775  -8.602  -2.942
    3   3H    GLY   1          3HT       GLY   1   8.275  -7.909  -3.342
    4   1HA   GLY   1          1HA       GLY   1  10.347  -7.420  -4.802
    5   2HA   GLY   1          2HA       GLY   1   9.199  -6.134  -4.429
    6    H    LYS   2           H        LYS   2  10.799  -4.480  -4.523
    7    HA   LYS   2           HA       LYS   2  13.179  -4.673  -2.818
    8   1HB   LYS   2          2HB       LYS   2  12.056  -2.390  -4.473
    9   2HB   LYS   2          1HB       LYS   2  13.595  -2.336  -3.612
   10   1HG   LYS   2          2HG       LYS   2  14.191  -4.484  -4.906
   11   2HG   LYS   2          1HG       LYS   2  12.822  -4.089  -5.945
   12   1HD   LYS   2          2HD       LYS   2  14.821  -3.148  -6.941
   13   2HD   LYS   2          1HD       LYS   2  13.841  -1.821  -6.314
   14   1HE   LYS   2          2HE       LYS   2  15.528  -1.173  -4.978
   15   2HE   LYS   2          1HE       LYS   2  15.560  -2.764  -4.220
   16   1HZ   LYS   2          1HZ       LYS   2  17.470  -1.672  -5.883
   17   2HZ   LYS   2          2HZ       LYS   2  16.701  -2.872  -6.809
   18   3HZ   LYS   2          3HZ       LYS   2  17.401  -3.268  -5.313
   19    H    GLU   3           H        GLU   3  13.441  -2.255  -1.626
   20    HA   GLU   3           HA       GLU   3  11.264  -2.323   0.393
   21   1HB   GLU   3          2HB       GLU   3  14.112  -1.861   0.449
   22   2HB   GLU   3          1HB       GLU   3  13.256  -0.521   1.210
   23   1HG   GLU   3          2HG       GLU   3  12.324  -1.878   2.857
   24   2HG   GLU   3          1HG       GLU   3  12.450  -3.334   1.869
   25    H    CYS   4           H        CYS   4  10.007  -1.176  -1.518
   26    HA   CYS   4           HA       CYS   4   9.739   1.601  -0.763
   27   1HB   CYS   4          2HB       CYS   4  11.280   0.897  -3.195
   28   2HB   CYS   4          1HB       CYS   4  10.142   2.227  -3.334
   29    H    ASP   5           H        ASP   5   7.728  -0.095  -0.620
   30    HA   ASP   5           HA       ASP   5   6.186  -0.918  -2.751
   31   1HB   ASP   5          2HB       ASP   5   5.698  -0.566  -0.078
   32   2HB   ASP   5          1HB       ASP   5   4.588   0.600  -0.802
   33    H    CYS   6           H        CYS   6   6.700   2.410  -1.722
   34    HA   CYS   6           HA       CYS   6   5.188   3.288  -4.151
   35   1HB   CYS   6          2HB       CYS   6   4.417   5.217  -2.987
   36   2HB   CYS   6          1HB       CYS   6   4.196   3.889  -1.852
   37    H    SER   7           H        SER   7   6.024   5.630  -4.794
   38    HA   SER   7           HA       SER   7   9.007   5.599  -4.555
   39   1HB   SER   7          2HB       SER   7   9.222   6.144  -6.818
   40   2HB   SER   7          1HB       SER   7   7.846   5.045  -6.843
   41    HG   SER   7           HG       SER   7   6.600   7.112  -6.519
   42    H    SER   8           H        SER   8   6.797   7.110  -3.045
   43    HA   SER   8           HA       SER   8   8.094   9.763  -3.319
   44   1HB   SER   8          2HB       SER   8   5.343  10.276  -2.874
   45   2HB   SER   8          1HB       SER   8   6.305  10.714  -4.281
   46    HG   SER   8           HG       SER   8   5.315   9.204  -5.343
   47    HA   PRO   9           HA       PRO   9   7.826   9.320   1.085
   48   1HB   PRO   9          2HB       PRO   9   8.913  11.769   1.697
   49   2HB   PRO   9          1HB       PRO   9   9.873  10.375   1.171
   50   1HG   PRO   9          2HG       PRO   9   9.143  12.829  -0.351
   51   2HG   PRO   9          1HG       PRO   9  10.523  11.741  -0.570
   52   1HD   PRO   9          2HD       PRO   9   8.161  11.786  -2.145
   53   2HD   PRO   9          1HD       PRO   9   9.419  10.530  -2.169
   54    H    GLU  10           H        GLU  10   6.497  12.112  -0.633
   55    HA   GLU  10           HA       GLU  10   4.984  13.069   1.679
   56   1HB   GLU  10          2HB       GLU  10   4.047  14.695   0.156
   57   2HB   GLU  10          1HB       GLU  10   5.764  14.545  -0.222
   58   1HG   GLU  10          2HG       GLU  10   5.281  13.901  -2.322
   59   2HG   GLU  10          1HG       GLU  10   4.292  12.574  -1.717
   60    H    ASN  11           H        ASN  11   4.531  10.761  -0.852
   61    HA   ASN  11           HA       ASN  11   1.691  10.682  -0.972
   62   1HB   ASN  11          2HB       ASN  11   3.352   9.508  -2.502
   63   2HB   ASN  11          1HB       ASN  11   3.556   8.310  -1.226
   64   1HD2  ASN  11          1HD2      ASN  11   2.630   6.992  -3.240
   65   2HD2  ASN  11          2HD2      ASN  11   0.943   6.807  -3.266
   66    HA   PRO  12           HA       PRO  12   1.128   9.110   3.189
   67   1HB   PRO  12          2HB       PRO  12  -1.626   9.105   3.080
   68   2HB   PRO  12          1HB       PRO  12  -0.661  10.552   3.416
   69   1HG   PRO  12          2HG       PRO  12  -2.077   9.778   0.902
   70   2HG   PRO  12          1HG       PRO  12  -1.711  11.393   1.532
   71   1HD   PRO  12          2HD       PRO  12  -0.294  10.103  -0.522
   72   2HD   PRO  12          1HD       PRO  12   0.298  11.490   0.416
   73    H    CYS  13           H        CYS  13  -0.438   7.897   0.275
   74    HA   CYS  13           HA       CYS  13  -1.512   5.441   0.997
   75   1HB   CYS  13          2HB       CYS  13  -0.743   6.620  -1.372
   76   2HB   CYS  13          1HB       CYS  13   0.304   5.213  -1.265
   77    H    CYS  14           H        CYS  14   1.866   6.367   1.048
   78    HA   CYS  14           HA       CYS  14   2.407   3.628   2.093
   79   1HB   CYS  14          2HB       CYS  14   4.457   3.541   0.864
   80   2HB   CYS  14          1HB       CYS  14   3.225   4.084  -0.272
   81    H    ASP  15           H        ASP  15   3.825   3.416   3.737
   82    HA   ASP  15           HA       ASP  15   4.315   5.660   5.475
   83   1HB   ASP  15          2HB       ASP  15   4.249   2.938   5.771
   84   2HB   ASP  15          1HB       ASP  15   5.975   3.262   5.784
   85    H    ALA  16           H        ALA  16   5.715   7.215   4.718
   86    HA   ALA  16           HA       ALA  16   7.882   6.706   2.919
   87   1HB   ALA  16          1HB       ALA  16   7.825   9.071   4.776
   88   2HB   ALA  16          2HB       ALA  16   6.640   8.935   3.476
   89   3HB   ALA  16          3HB       ALA  16   8.362   8.994   3.098
   90    H    ALA  17           H        ALA  17   7.589   6.500   6.373
   91    HA   ALA  17           HA       ALA  17  10.308   6.867   7.120
   92   1HB   ALA  17          1HB       ALA  17   8.692   4.756   8.486
   93   2HB   ALA  17          2HB       ALA  17   8.090   6.413   8.534
   94   3HB   ALA  17          3HB       ALA  17   9.685   6.035   9.184
   95    H    THR  18           H        THR  18   8.869   4.426   5.206
   96    HA   THR  18           HA       THR  18  11.424   2.909   5.287
   97    HB   THR  18           HB       THR  18  10.223   1.488   6.684
   98    HG1  THR  18           HG1      THR  18  10.478  -0.087   5.344
   99   1HG2  THR  18          1HG2      THR  18   8.115   2.368   6.956
  100   2HG2  THR  18          2HG2      THR  18   7.704   1.002   5.919
  101   3HG2  THR  18          3HG2      THR  18   7.881   2.613   5.226
  102    H    CYS  19           H        CYS  19   9.202   4.499   3.409
  103    HA   CYS  19           HA       CYS  19   9.022   4.581   1.044
  104   1HB   CYS  19          2HB       CYS  19  11.487   3.529   1.376
  105   2HB   CYS  19          1HB       CYS  19  10.672   2.173   0.646
  106    H    LYS  20           H        LYS  20   7.986   2.183   3.046
  107    HA   LYS  20           HA       LYS  20   6.843   0.540   0.837
  108   1HB   LYS  20          2HB       LYS  20   7.650   0.026   3.588
  109   2HB   LYS  20          1HB       LYS  20   6.024  -0.573   3.248
  110   1HG   LYS  20          2HG       LYS  20   6.864  -1.787   1.291
  111   2HG   LYS  20          1HG       LYS  20   8.485  -1.156   1.580
  112   1HD   LYS  20          2HD       LYS  20   8.050  -2.209   4.000
  113   2HD   LYS  20          1HD       LYS  20   6.975  -3.255   3.070
  114   1HE   LYS  20          2HE       LYS  20   9.852  -2.739   2.285
  115   2HE   LYS  20          1HE       LYS  20   9.363  -4.095   3.301
  116   1HZ   LYS  20          1HZ       LYS  20   9.268  -3.905   0.515
  117   2HZ   LYS  20          2HZ       LYS  20   7.667  -3.992   1.076
  118   3HZ   LYS  20          3HZ       LYS  20   8.783  -5.202   1.494
  119    H    LEU  21           H        LEU  21   4.469  -0.158   1.256
  120    HA   LEU  21           HA       LEU  21   3.067   2.091   2.530
  121   1HB   LEU  21          2HB       LEU  21   1.819   2.701   0.719
  122   2HB   LEU  21          1HB       LEU  21   3.312   2.251  -0.048
  123    HG   LEU  21           HG       LEU  21   2.013   1.072  -1.430
  124   1HD1  LEU  21          1HD1      LEU  21   2.872  -0.637   0.459
  125   2HD1  LEU  21          2HD1      LEU  21   1.946  -1.136  -0.955
  126   3HD1  LEU  21          3HD1      LEU  21   1.133  -0.880   0.585
  127   1HD2  LEU  21          1HD2      LEU  21   0.074   2.256  -0.063
  128   2HD2  LEU  21          2HD2      LEU  21  -0.245   0.593   0.425
  129   3HD2  LEU  21          3HD2      LEU  21  -0.254   1.026  -1.276
  130    H    ARG  22           H        ARG  22   0.546   1.460   1.895
  131    HA   ARG  22           HA       ARG  22  -1.171  -0.109   2.238
  132   1HB   ARG  22          2HB       ARG  22   0.667  -1.930   1.990
  133   2HB   ARG  22          1HB       ARG  22   0.711  -1.904   3.750
  134   1HG   ARG  22          2HG       ARG  22  -0.884  -3.564   3.315
  135   2HG   ARG  22          1HG       ARG  22  -1.887  -2.134   3.567
  136   1HD   ARG  22          2HD       ARG  22  -2.796  -2.694   1.557
  137   2HD   ARG  22          1HD       ARG  22  -1.347  -1.943   0.890
  138    HE   ARG  22           HE       ARG  22  -0.669  -4.084   0.196
  139   1HH1  ARG  22          1HH2      ARG  22  -3.676  -4.543   1.418
  140   2HH1  ARG  22          2HH2      ARG  22  -3.418  -6.144   2.028
  141   1HH2  ARG  22          1HH1      ARG  22   0.019  -6.043   1.585
  142   2HH2  ARG  22          2HH1      ARG  22  -1.326  -6.992   2.124
  143    HA   PRO  23           HA       PRO  23  -0.610   1.234   6.704
  144   1HB   PRO  23          2HB       PRO  23  -0.901   3.963   6.677
  145   2HB   PRO  23          1HB       PRO  23   0.681   3.162   6.668
  146   1HG   PRO  23          2HG       PRO  23  -0.765   4.488   4.420
  147   2HG   PRO  23          1HG       PRO  23   0.977   4.270   4.662
  148   1HD   PRO  23          2HD       PRO  23  -0.648   2.728   2.941
  149   2HD   PRO  23          1HD       PRO  23   0.996   2.323   3.483
  150    H    GLY  24           H        GLY  24  -2.533   1.532   4.142
  151   1HA   GLY  24          2HA       GLY  24  -5.013   1.220   5.441
  152   2HA   GLY  24          1HA       GLY  24  -4.852   2.920   4.993
  153    H    ALA  25           H        ALA  25  -3.173   2.236   2.602
  154    HA   ALA  25           HA       ALA  25  -5.411   1.558   0.817
  155   1HB   ALA  25          1HB       ALA  25  -4.028   2.470  -0.943
  156   2HB   ALA  25          2HB       ALA  25  -2.621   2.484   0.118
  157   3HB   ALA  25          3HB       ALA  25  -3.970   3.577   0.429
  158    H    GLN  26           H        GLN  26  -4.217   0.482  -1.350
  159    HA   GLN  26           HA       GLN  26  -3.001  -2.045  -0.323
  160   1HB   GLN  26          2HB       GLN  26  -5.307  -1.588  -1.961
  161   2HB   GLN  26          1HB       GLN  26  -4.097  -2.447  -2.910
  162   1HG   GLN  26          2HG       GLN  26  -5.079  -4.254  -1.871
  163   2HG   GLN  26          1HG       GLN  26  -3.880  -3.848  -0.643
  164   1HE2  GLN  26          1HE2      GLN  26  -6.636  -5.064  -0.297
  165   2HE2  GLN  26          2HE2      GLN  26  -7.439  -4.027   0.780
  166    H    CYS  27           H        CYS  27  -2.500   0.725  -2.195
  167    HA   CYS  27           HA       CYS  27   0.105  -0.178  -3.029
  168   1HB   CYS  27          2HB       CYS  27  -0.408  -1.021  -5.064
  169   2HB   CYS  27          1HB       CYS  27  -2.098  -0.605  -4.839
  170    H    GLY  28           H        GLY  28   1.406   1.576  -3.765
  171   1HA   GLY  28          2HA       GLY  28   0.200   4.228  -3.155
  172   2HA   GLY  28          1HA       GLY  28   1.921   3.856  -3.070
  173    H    GLU  29           H        GLU  29   1.214   2.307  -5.766
  174    HA   GLU  29           HA       GLU  29   0.607   4.298  -7.707
  175   1HB   GLU  29          2HB       GLU  29   2.799   4.917  -8.520
  176   2HB   GLU  29          1HB       GLU  29   2.744   5.263  -6.790
  177   1HG   GLU  29          2HG       GLU  29   4.697   4.085  -6.760
  178   2HG   GLU  29          1HG       GLU  29   3.614   2.693  -6.735
  179    H    GLY  30           H        GLY  30  -0.038   3.088  -9.389
  180   1HA   GLY  30          2HA       GLY  30   1.611   0.999 -10.534
  181   2HA   GLY  30          1HA       GLY  30   0.163   0.360  -9.752
  182    H    LEU  31           H        LEU  31  -0.087  -0.166 -12.345
  183    HA   LEU  31           HA       LEU  31  -1.240   2.228 -13.645
  184   1HB   LEU  31          2HB       LEU  31   0.102  -0.147 -14.539
  185   2HB   LEU  31          1HB       LEU  31  -1.425   0.029 -15.371
  186    HG   LEU  31           HG       LEU  31   0.802   2.036 -15.177
  187   1HD1  LEU  31          1HD1      LEU  31   0.278  -0.035 -16.993
  188   2HD1  LEU  31          2HD1      LEU  31   1.403   1.304 -17.224
  189   3HD1  LEU  31          3HD1      LEU  31  -0.254   1.431 -17.815
  190   1HD2  LEU  31          1HD2      LEU  31  -2.072   2.306 -16.004
  191   2HD2  LEU  31          2HD2      LEU  31  -0.847   3.271 -16.829
  192   3HD2  LEU  31          3HD2      LEU  31  -1.070   3.430 -15.087
  193    H    CYS  32           H        CYS  32  -2.121  -0.469 -11.814
  194    HA   CYS  32           HA       CYS  32  -4.977  -0.054 -12.494
  195   1HB   CYS  32          2HB       CYS  32  -5.192  -2.489 -11.477
  196   2HB   CYS  32          1HB       CYS  32  -4.869  -2.256 -13.191
  197    H    CYS  33           H        CYS  33  -4.018   1.600 -10.732
  198    HA   CYS  33           HA       CYS  33  -4.725   0.429  -8.074
  199   1HB   CYS  33          2HB       CYS  33  -2.579   2.375  -8.876
  200   2HB   CYS  33          1HB       CYS  33  -3.246   2.430  -7.247
  201    H    GLU  34           H        GLU  34  -6.885   1.103  -8.003
  202    HA   GLU  34           HA       GLU  34  -7.877   3.608  -8.922
  203   1HB   GLU  34          2HB       GLU  34  -9.087   1.429  -8.008
  204   2HB   GLU  34          1HB       GLU  34  -9.055   2.338  -6.504
  205   1HG   GLU  34          2HG       GLU  34 -10.830   3.530  -7.203
  206   2HG   GLU  34          1HG       GLU  34  -9.858   4.145  -8.542
  207    H    GLN  35           H        GLN  35  -9.097   4.773  -6.615
  208    HA   GLN  35           HA       GLN  35  -7.035   6.500  -5.717
  209   1HB   GLN  35          2HB       GLN  35  -9.811   6.292  -5.335
  210   2HB   GLN  35          1HB       GLN  35  -9.122   6.178  -3.715
  211   1HG   GLN  35          2HG       GLN  35  -8.968   8.433  -3.767
  212   2HG   GLN  35          1HG       GLN  35  -7.642   8.207  -4.910
  213   1HE2  GLN  35          1HE2      GLN  35  -9.097  10.528  -5.241
  214   2HE2  GLN  35          2HE2      GLN  35 -10.112  10.412  -6.597
  215    H    CYS  36           H        CYS  36  -5.258   5.222  -5.051
  216    HA   CYS  36           HA       CYS  36  -4.003   3.826  -3.649
  217   1HB   CYS  36          2HB       CYS  36  -5.733   5.464  -1.839
  218   2HB   CYS  36          1HB       CYS  36  -4.783   4.164  -1.146
  219    H    LYS  37           H        LYS  37  -5.764   2.291  -4.941
  220    HA   LYS  37           HA       LYS  37  -6.437   0.249  -2.931
  221   1HB   LYS  37          2HB       LYS  37  -8.501   1.673  -4.613
  222   2HB   LYS  37          1HB       LYS  37  -8.770   0.028  -4.037
  223   1HG   LYS  37          2HG       LYS  37  -8.031   1.076  -1.714
  224   2HG   LYS  37          1HG       LYS  37  -8.567   2.575  -2.475
  225   1HD   LYS  37          2HD       LYS  37 -10.763   1.953  -2.457
  226   2HD   LYS  37          1HD       LYS  37 -10.392   0.264  -2.801
  227   1HE   LYS  37          2HE       LYS  37  -9.418   0.248  -0.374
  228   2HE   LYS  37          1HE       LYS  37 -10.406   1.693  -0.153
  229   1HZ   LYS  37          1HZ       LYS  37 -12.311   0.373  -1.014
  230   2HZ   LYS  37          2HZ       LYS  37 -11.700  -0.181   0.472
  231   3HZ   LYS  37          3HZ       LYS  37 -11.327  -1.008  -0.965
  232    H    PHE  38           H        PHE  38  -6.896  -1.844  -3.982
  233    HA   PHE  38           HA       PHE  38  -5.339  -2.158  -6.440
  234   1HB   PHE  38          2HB       PHE  38  -6.733  -4.012  -4.538
  235   2HB   PHE  38          1HB       PHE  38  -6.254  -4.604  -6.123
  236    HD1  PHE  38           HD1      PHE  38  -5.057  -5.986  -3.983
  237    HD2  PHE  38           HD2      PHE  38  -3.869  -2.190  -5.618
  238    HE1  PHE  38           HE1      PHE  38  -2.749  -6.348  -3.164
  239    HE2  PHE  38           HE2      PHE  38  -1.568  -2.560  -4.801
  240    HZ   PHE  38           HZ       PHE  38  -1.004  -4.635  -3.573
  241    H    SER  39           H        SER  39  -6.203  -1.864  -8.397
  242    HA   SER  39           HA       SER  39  -8.907  -1.392  -8.986
  243   1HB   SER  39          2HB       SER  39  -8.267  -1.417 -11.218
  244   2HB   SER  39          1HB       SER  39  -6.684  -1.253 -10.461
  245    HG   SER  39           HG       SER  39  -7.853  -3.412 -11.755
  246    H    ARG  40           H        ARG  40  -9.992  -3.061 -10.742
  247    HA   ARG  40           HA       ARG  40 -10.325  -5.546  -9.195
  248   1HB   ARG  40          2HB       ARG  40 -12.012  -4.019 -11.103
  249   2HB   ARG  40          1HB       ARG  40 -12.279  -5.753 -10.977
  250   1HG   ARG  40          2HG       ARG  40 -12.881  -5.619  -8.708
  251   2HG   ARG  40          1HG       ARG  40 -12.120  -4.041  -8.505
  252   1HD   ARG  40          2HD       ARG  40 -13.876  -3.277 -10.307
  253   2HD   ARG  40          1HD       ARG  40 -14.747  -4.720  -9.791
  254    HE   ARG  40           HE       ARG  40 -13.924  -3.139  -7.515
  255   1HH1  ARG  40          1HH2      ARG  40 -15.606  -2.000 -10.126
  256   2HH1  ARG  40          2HH2      ARG  40 -17.103  -1.736  -9.298
  257   1HH2  ARG  40          1HH1      ARG  40 -16.113  -3.394  -6.419
  258   2HH2  ARG  40          2HH1      ARG  40 -17.391  -2.526  -7.201
  259    H    ALA  41           H        ALA  41  -9.715  -7.522 -10.055
  260    HA   ALA  41           HA       ALA  41  -7.820  -7.825 -12.037
  261   1HB   ALA  41          1HB       ALA  41  -9.488  -9.563 -10.555
  262   2HB   ALA  41          2HB       ALA  41  -8.071 -10.002 -11.509
  263   3HB   ALA  41          3HB       ALA  41  -9.673 -10.031 -12.246
  264    H    GLY  42           H        GLY  42  -8.143  -8.866 -14.273
  265   1HA   GLY  42          2HA       GLY  42  -9.055  -8.742 -16.432
  266   2HA   GLY  42          1HA       GLY  42 -10.613  -8.424 -15.672
  267    H    LYS  43           H        LYS  43  -8.078  -6.368 -14.639
  268    HA   LYS  43           HA       LYS  43  -9.380  -4.067 -15.897
  269   1HB   LYS  43          2HB       LYS  43  -8.678  -3.558 -13.721
  270   2HB   LYS  43          1HB       LYS  43  -7.171  -4.453 -13.896
  271   1HG   LYS  43          2HG       LYS  43  -6.625  -2.098 -13.926
  272   2HG   LYS  43          1HG       LYS  43  -6.423  -2.703 -15.565
  273   1HD   LYS  43          2HD       LYS  43  -8.552  -1.800 -16.244
  274   2HD   LYS  43          1HD       LYS  43  -8.963  -1.384 -14.580
  275   1HE   LYS  43          2HE       LYS  43  -7.879   0.581 -14.740
  276   2HE   LYS  43          1HE       LYS  43  -6.413  -0.226 -15.296
  277   1HZ   LYS  43          1HZ       LYS  43  -6.832   0.781 -17.226
  278   2HZ   LYS  43          2HZ       LYS  43  -8.439   1.142 -16.809
  279   3HZ   LYS  43          3HZ       LYS  43  -8.046  -0.384 -17.444
  280    H    ILE  44           H        ILE  44  -8.685  -3.132 -17.808
  281    HA   ILE  44           HA       ILE  44  -6.409  -4.350 -19.164
  282    HB   ILE  44           HB       ILE  44  -8.597  -2.527 -19.882
  283   1HG1  ILE  44          2HG1      ILE  44  -8.539  -4.885 -20.531
  284   2HG1  ILE  44          1HG1      ILE  44  -8.438  -3.868 -21.971
  285   1HG2  ILE  44          1HG2      ILE  44  -7.189  -1.955 -22.029
  286   2HG2  ILE  44          2HG2      ILE  44  -5.813  -2.180 -20.949
  287   3HG2  ILE  44          3HG2      ILE  44  -7.023  -0.947 -20.591
  288   1HD1  ILE  44          1HD1      ILE  44  -6.577  -5.036 -22.495
  289   2HD1  ILE  44          2HD1      ILE  44  -6.467  -5.733 -20.879
  290   3HD1  ILE  44          3HD1      ILE  44  -5.787  -4.138 -21.199
  291    H    CYS  45           H        CYS  45  -4.455  -3.833 -18.338
  292    HA   CYS  45           HA       CYS  45  -3.882  -1.040 -17.540
  293   1HB   CYS  45          2HB       CYS  45  -2.768  -3.666 -16.921
  294   2HB   CYS  45          1HB       CYS  45  -1.546  -2.456 -17.244
  295    H    ARG  46           H        ARG  46  -3.543  -3.143 -20.207
  296    HA   ARG  46           HA       ARG  46  -1.878  -1.112 -21.577
  297   1HB   ARG  46          2HB       ARG  46  -0.845  -3.599 -20.649
  298   2HB   ARG  46          1HB       ARG  46  -0.949  -3.689 -22.408
  299   1HG   ARG  46          2HG       ARG  46   0.463  -1.834 -22.714
  300   2HG   ARG  46          1HG       ARG  46   0.206  -1.252 -21.069
  301   1HD   ARG  46          2HD       ARG  46   1.314  -3.486 -20.339
  302   2HD   ARG  46          1HD       ARG  46   1.899  -3.563 -22.001
  303    HE   ARG  46           HE       ARG  46   2.840  -1.725 -19.937
  304   1HH1  ARG  46          1HH1      ARG  46   2.217  -2.109 -23.306
  305   2HH1  ARG  46          2HH1      ARG  46   3.562  -1.139 -23.800
  306   1HH2  ARG  46          1HH2      ARG  46   4.675  -0.555 -20.570
  307   2HH2  ARG  46          2HH2      ARG  46   4.955  -0.263 -22.255
  308    H    ILE  47           H        ILE  47  -1.737  -1.695 -24.003
  309    HA   ILE  47           HA       ILE  47  -4.262  -3.051 -24.859
  310    HB   ILE  47           HB       ILE  47  -4.440  -0.567 -25.016
  311   1HG1  ILE  47          2HG1      ILE  47  -4.905  -0.557 -27.556
  312   2HG1  ILE  47          1HG1      ILE  47  -4.367  -2.237 -27.535
  313   1HG2  ILE  47          1HG2      ILE  47  -1.781  -0.891 -26.056
  314   2HG2  ILE  47          2HG2      ILE  47  -2.638   0.605 -25.685
  315   3HG2  ILE  47          3HG2      ILE  47  -2.784  -0.121 -27.286
  316   1HD1  ILE  47          1HD1      ILE  47  -6.453  -2.812 -26.912
  317   2HD1  ILE  47          2HD1      ILE  47  -6.907  -1.123 -26.684
  318   3HD1  ILE  47          3HD1      ILE  47  -6.141  -2.015 -25.370
  319    H    ALA  48           H        ALA  48  -4.105  -4.214 -26.828
  320    HA   ALA  48           HA       ALA  48  -1.331  -4.679 -27.768
  321   1HB   ALA  48          1HB       ALA  48  -2.275  -6.676 -26.803
  322   2HB   ALA  48          2HB       ALA  48  -2.235  -6.892 -28.552
  323   3HB   ALA  48          3HB       ALA  48  -3.751  -6.485 -27.748
  324    H    LYS  49           H        LYS  49  -0.860  -4.142 -29.855
  325    HA   LYS  49           HA       LYS  49  -3.164  -3.785 -31.724
  326   1HB   LYS  49          2HB       LYS  49  -2.125  -1.873 -32.686
  327   2HB   LYS  49          1HB       LYS  49  -2.240  -1.601 -30.952
  328   1HG   LYS  49          2HG       LYS  49   0.043  -1.806 -30.627
  329   2HG   LYS  49          1HG       LYS  49   0.253  -2.874 -32.015
  330   1HD   LYS  49          2HD       LYS  49  -0.723  -0.370 -32.980
  331   2HD   LYS  49          1HD       LYS  49   0.629  -0.044 -31.896
  332   1HE   LYS  49          2HE       LYS  49   1.515  -2.227 -33.353
  333   2HE   LYS  49          1HE       LYS  49   0.631  -1.283 -34.551
  334   1HZ   LYS  49          1HZ       LYS  49   2.360   0.224 -32.771
  335   2HZ   LYS  49          2HZ       LYS  49   2.093   0.402 -34.440
  336   3HZ   LYS  49          3HZ       LYS  49   3.153  -0.797 -33.870
  337    H    GLY  50           H        GLY  50  -0.431  -5.499 -31.107
  338   1HA   GLY  50          2HA       GLY  50  -0.014  -6.105 -33.987
  339   2HA   GLY  50          1HA       GLY  50   1.319  -6.145 -32.824
  340    H    ASP  51           H        ASP  51   1.259  -7.760 -31.179
  341    HA   ASP  51           HA       ASP  51   0.006 -10.274 -31.846
  342   1HB   ASP  51          2HB       ASP  51   1.745  -9.192 -29.757
  343   2HB   ASP  51          1HB       ASP  51   0.584 -10.359 -29.146
  344    H    TRP  52           H        TRP  52  -1.578 -11.184 -29.871
  345    HA   TRP  52           HA       TRP  52  -3.016  -8.880 -28.780
  346   1HB   TRP  52          2HB       TRP  52  -4.217 -10.703 -30.831
  347   2HB   TRP  52          1HB       TRP  52  -5.216  -9.760 -29.707
  348    HD1  TRP  52           HD1      TRP  52  -4.254  -7.064 -29.485
  349    HE1  TRP  52           HE1      TRP  52  -3.720  -5.477 -31.410
  350    HE3  TRP  52           HE3      TRP  52  -3.451 -10.448 -33.211
  351    HZ2  TRP  52           HZ2      TRP  52  -2.999  -5.591 -34.127
  352    HZ3  TRP  52           HZ3      TRP  52  -2.777  -9.658 -35.462
  353    HH2  TRP  52           HH2      TRP  52  -2.557  -7.230 -35.931
  354    H    ASN  53           H        ASN  53  -3.078  -9.240 -26.826
  355    HA   ASN  53           HA       ASN  53  -4.646 -11.171 -25.490
  356   1HB   ASN  53          2HB       ASN  53  -2.017 -12.115 -26.206
  357   2HB   ASN  53          1HB       ASN  53  -2.073 -11.877 -24.458
  358   1HD2  ASN  53          1HD2      ASN  53  -2.312 -14.064 -23.779
  359   2HD2  ASN  53          2HD2      ASN  53  -3.628 -15.041 -24.225
  360    H    ASP  54           H        ASP  54  -5.018  -8.824 -24.978
  361    HA   ASP  54           HA       ASP  54  -3.156  -7.138 -23.736
  362   1HB   ASP  54          2HB       ASP  54  -5.979  -7.185 -24.160
  363   2HB   ASP  54          1HB       ASP  54  -5.667  -6.684 -22.500
  364    H    ASP  55           H        ASP  55  -2.470  -6.833 -21.661
  365    HA   ASP  55           HA       ASP  55  -2.790  -9.092 -19.815
  366   1HB   ASP  55          2HB       ASP  55  -0.847  -7.049 -20.273
  367   2HB   ASP  55          1HB       ASP  55  -1.378  -6.949 -18.596
  368    H    ARG  56           H        ARG  56  -4.463  -9.136 -18.396
  369    HA   ARG  56           HA       ARG  56  -5.691  -6.548 -17.609
  370   1HB   ARG  56          2HB       ARG  56  -6.824  -9.276 -17.121
  371   2HB   ARG  56          1HB       ARG  56  -7.674  -7.737 -17.114
  372   1HG   ARG  56          2HG       ARG  56  -6.405  -7.969 -19.644
  373   2HG   ARG  56          1HG       ARG  56  -7.213  -9.507 -19.329
  374   1HD   ARG  56          2HD       ARG  56  -9.317  -8.378 -18.897
  375   2HD   ARG  56          1HD       ARG  56  -8.541  -6.801 -19.020
  376    HE   ARG  56           HE       ARG  56  -8.793  -6.975 -21.349
  377   1HH1  ARG  56          1HH1      ARG  56 -10.743  -9.292 -20.752
  378   2HH1  ARG  56          2HH1      ARG  56 -10.133 -10.500 -21.835
  379   1HH2  ARG  56          1HH2      ARG  56  -7.119  -8.877 -22.374
  380   2HH2  ARG  56          2HH2      ARG  56  -8.084 -10.265 -22.752
  381    H    CYS  57           H        CYS  57  -4.959  -5.777 -15.659
  382    HA   CYS  57           HA       CYS  57  -3.372  -7.084 -13.811
  383   1HB   CYS  57          2HB       CYS  57  -5.409  -4.898 -13.469
  384   2HB   CYS  57          1HB       CYS  57  -4.608  -5.581 -12.052
  385    H    THR  58           H        THR  58  -3.814  -8.138 -11.799
  386    HA   THR  58           HA       THR  58  -6.201  -9.877 -11.944
  387    HB   THR  58           HB       THR  58  -4.997 -11.387 -10.639
  388    HG1  THR  58           HG1      THR  58  -3.691  -9.089  -9.631
  389   1HG2  THR  58          1HG2      THR  58  -3.027 -11.650 -11.789
  390   2HG2  THR  58          2HG2      THR  58  -2.521  -9.984 -11.506
  391   3HG2  THR  58          3HG2      THR  58  -3.696 -10.347 -12.770
  392    H    GLY  59           H        GLY  59  -6.803 -10.459  -9.377
  393   1HA   GLY  59          2HA       GLY  59  -7.989  -7.938  -8.433
  394   2HA   GLY  59          1HA       GLY  59  -8.331  -9.545  -7.795
  395    H    GLN  60           H        GLN  60  -5.083  -9.514  -7.878
  396    HA   GLN  60           HA       GLN  60  -4.850  -8.214  -5.195
  397   1HB   GLN  60          2HB       GLN  60  -3.418 -10.730  -6.101
  398   2HB   GLN  60          1HB       GLN  60  -3.357 -10.000  -4.496
  399   1HG   GLN  60          2HG       GLN  60  -5.682 -10.479  -4.102
  400   2HG   GLN  60          1HG       GLN  60  -5.922 -10.970  -5.779
  401   1HE2  GLN  60          1HE2      GLN  60  -2.965 -11.905  -4.107
  402   2HE2  GLN  60          2HE2      GLN  60  -3.352 -13.550  -3.952
  403    H    SER  61           H        SER  61  -4.088  -7.525  -8.155
  404    HA   SER  61           HA       SER  61  -1.213  -6.936  -7.567
  405   1HB   SER  61          2HB       SER  61  -1.367  -8.385  -9.493
  406   2HB   SER  61          1HB       SER  61  -2.620  -7.380 -10.213
  407    HG   SER  61           HG       SER  61  -1.093  -5.715 -10.392
  408    H    ALA  62           H        ALA  62  -0.432  -4.888  -8.622
  409    HA   ALA  62           HA       ALA  62  -2.584  -2.818  -8.880
  410   1HB   ALA  62          1HB       ALA  62  -0.432  -1.511  -7.685
  411   2HB   ALA  62          2HB       ALA  62  -0.520  -3.043  -6.816
  412   3HB   ALA  62          3HB       ALA  62  -1.930  -1.985  -6.883
  413    H    ASP  63           H        ASP  63   0.739  -3.859  -9.616
  414    HA   ASP  63           HA       ASP  63   0.960  -1.620 -11.554
  415   1HB   ASP  63          2HB       ASP  63   2.907  -3.878 -11.178
  416   2HB   ASP  63          1HB       ASP  63   3.185  -2.328 -11.968
  417    H    CYS  64           H        CYS  64   2.089  -2.768 -13.751
  418    HA   CYS  64           HA       CYS  64   0.391  -5.089 -14.455
  419   1HB   CYS  64          2HB       CYS  64   0.322  -2.752 -16.324
  420   2HB   CYS  64          1HB       CYS  64  -0.876  -4.024 -16.080
  421    HA   PRO  65           HA       PRO  65   4.035  -6.035 -16.652
  422   1HB   PRO  65          2HB       PRO  65   3.046  -8.312 -17.803
  423   2HB   PRO  65          1HB       PRO  65   3.594  -8.235 -16.130
  424   1HG   PRO  65          2HG       PRO  65   0.829  -8.388 -17.213
  425   2HG   PRO  65          1HG       PRO  65   1.440  -8.874 -15.623
  426   1HD   PRO  65          2HD       PRO  65   0.009  -6.502 -16.213
  427   2HD   PRO  65          1HD       PRO  65   0.868  -6.870 -14.700
  428    H    ARG  66           H        ARG  66   4.087  -7.249 -19.153
  429    HA   ARG  66           HA       ARG  66   2.362  -5.620 -20.908
  430   1HB   ARG  66          2HB       ARG  66   4.358  -5.012 -22.297
  431   2HB   ARG  66          1HB       ARG  66   4.382  -4.285 -20.689
  432   1HG   ARG  66          2HG       ARG  66   6.229  -5.443 -20.073
  433   2HG   ARG  66          1HG       ARG  66   5.627  -6.943 -20.778
  434   1HD   ARG  66          2HD       ARG  66   6.245  -6.093 -23.037
  435   2HD   ARG  66          1HD       ARG  66   6.926  -4.652 -22.283
  436    HE   ARG  66           HE       ARG  66   8.088  -7.001 -21.108
  437   1HH1  ARG  66          1HH2      ARG  66   8.635  -4.393 -23.143
  438   2HH1  ARG  66          2HH2      ARG  66   9.972  -5.102 -23.987
  439   1HH2  ARG  66          1HH1      ARG  66   9.562  -8.233 -22.556
  440   2HH2  ARG  66          2HH1      ARG  66  10.499  -7.273 -23.653
  441    H    TYR  67           H        TYR  67   3.068  -6.324 -23.340
  442    HA   TYR  67           HA       TYR  67   4.037  -8.977 -23.731
  443   1HB   TYR  67          2HB       TYR  67   1.396  -8.862 -22.710
  444   2HB   TYR  67          1HB       TYR  67   1.276  -9.319 -24.408
  445    HD1  TYR  67           HD1      TYR  67   1.241 -10.785 -21.392
  446    HD2  TYR  67           HD2      TYR  67   3.638 -10.865 -24.955
  447    HE1  TYR  67           HE1      TYR  67   1.996 -13.079 -20.832
  448    HE2  TYR  67           HE2      TYR  67   4.394 -13.159 -24.395
  449    HH   TYR  67           HH       TYR  67   2.974 -14.965 -21.744
  450    H    HIS  68           HN       HIS  68   1.322  -7.017 -25.019
  451    HA   HIS  68           HA       HIS  68   2.786  -6.987 -27.630
  452   1HB   HIS  68          2HB       HIS  68  -0.143  -6.712 -27.807
  453   2HB   HIS  68          1HB       HIS  68   0.955  -7.692 -28.777
  454    HD1  HIS  68           HD1      HIS  68   1.809  -9.976 -27.561
  455    HD2  HIS  68           HD2      HIS  68  -1.577  -8.174 -25.926
  456    HE1  HIS  68           HE1      HIS  68   0.687 -11.732 -26.120
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  11.899  -8.842  -3.943
    2   2H    GLY   1          2HT       GLY   1  11.450  -8.363  -2.375
    3   3H    GLY   1          3HT       GLY   1  12.881  -9.248  -2.622
    4   1HA   GLY   1          1HA       GLY   1  13.511  -7.001  -2.268
    5   2HA   GLY   1          2HA       GLY   1  13.740  -7.368  -3.977
    6    H    LYS   2           H        LYS   2  13.438  -5.149  -4.576
    7    HA   LYS   2           HA       LYS   2  12.155  -3.321  -5.295
    8   1HB   LYS   2          2HB       LYS   2  10.016  -5.436  -4.972
    9   2HB   LYS   2          1HB       LYS   2   9.649  -3.807  -5.540
   10   1HG   LYS   2          2HG       LYS   2  11.246  -4.079  -7.394
   11   2HG   LYS   2          1HG       LYS   2  11.644  -5.700  -6.821
   12   1HD   LYS   2          2HD       LYS   2   9.012  -6.033  -6.981
   13   2HD   LYS   2          1HD       LYS   2   9.148  -4.720  -8.150
   14   1HE   LYS   2          2HE       LYS   2  10.058  -6.083  -9.699
   15   2HE   LYS   2          1HE       LYS   2  11.231  -6.716  -8.544
   16   1HZ   LYS   2          1HZ       LYS   2   9.205  -8.134  -9.579
   17   2HZ   LYS   2          2HZ       LYS   2   8.512  -7.602  -8.121
   18   3HZ   LYS   2          3HZ       LYS   2   9.961  -8.489  -8.101
   19    H    GLU   3           H        GLU   3  12.702  -2.141  -3.349
   20    HA   GLU   3           HA       GLU   3  10.561  -2.139  -1.267
   21   1HB   GLU   3          2HB       GLU   3  13.369  -2.202  -1.048
   22   2HB   GLU   3          1HB       GLU   3  12.877  -0.581  -0.561
   23   1HG   GLU   3          2HG       GLU   3  11.298  -2.895   0.481
   24   2HG   GLU   3          1HG       GLU   3  12.886  -2.587   1.187
   25    H    CYS   4           H        CYS   4   9.249  -0.804  -2.766
   26    HA   CYS   4           HA       CYS   4   9.421   2.001  -2.175
   27   1HB   CYS   4          2HB       CYS   4  10.679   1.030  -4.685
   28   2HB   CYS   4          1HB       CYS   4   9.659   2.447  -4.827
   29    H    ASP   5           H        ASP   5   7.254   0.609  -1.773
   30    HA   ASP   5           HA       ASP   5   5.463  -0.191  -3.700
   31   1HB   ASP   5          2HB       ASP   5   5.068   0.068  -1.166
   32   2HB   ASP   5          1HB       ASP   5   4.562   1.717  -1.539
   33    H    CYS   6           H        CYS   6   6.398   3.132  -2.986
   34    HA   CYS   6           HA       CYS   6   5.008   3.953  -5.497
   35   1HB   CYS   6          2HB       CYS   6   5.106   5.564  -2.927
   36   2HB   CYS   6          1HB       CYS   6   4.345   6.063  -4.438
   37    H    SER   7           H        SER   7   5.956   6.015  -6.381
   38    HA   SER   7           HA       SER   7   8.874   6.139  -5.747
   39   1HB   SER   7          2HB       SER   7   7.475   5.842  -8.216
   40   2HB   SER   7          1HB       SER   7   8.300   7.397  -8.233
   41    HG   SER   7           HG       SER   7   9.332   4.974  -8.548
   42    H    SER   8           H        SER   8   6.148   7.739  -5.033
   43    HA   SER   8           HA       SER   8   7.368  10.436  -5.401
   44   1HB   SER   8          2HB       SER   8   4.763  10.819  -4.517
   45   2HB   SER   8          1HB       SER   8   5.309  10.925  -6.188
   46    HG   SER   8           HG       SER   8   3.593   9.438  -5.951
   47    HA   PRO   9           HA       PRO   9   7.963  10.171  -0.981
   48   1HB   PRO   9          2HB       PRO   9   9.293  12.567  -0.768
   49   2HB   PRO   9          1HB       PRO   9  10.060  11.069  -1.324
   50   1HG   PRO   9          2HG       PRO   9   9.227  13.451  -2.911
   51   2HG   PRO   9          1HG       PRO   9  10.491  12.259  -3.257
   52   1HD   PRO   9          2HD       PRO   9   7.916  12.341  -4.437
   53   2HD   PRO   9          1HD       PRO   9   9.070  10.993  -4.530
   54    H    GLU  10           H        GLU  10   5.806  11.986  -2.658
   55    HA   GLU  10           HA       GLU  10   4.999  13.580  -0.257
   56   1HB   GLU  10          2HB       GLU  10   5.565  14.925  -2.285
   57   2HB   GLU  10          1HB       GLU  10   4.295  14.077  -3.167
   58   1HG   GLU  10          2HG       GLU  10   3.288  16.099  -2.413
   59   2HG   GLU  10          1HG       GLU  10   2.704  14.853  -1.310
   60    H    ASN  11           H        ASN  11   4.195  10.968  -2.286
   61    HA   ASN  11           HA       ASN  11   1.364  11.059  -2.291
   62   1HB   ASN  11          2HB       ASN  11   3.322   9.264  -3.136
   63   2HB   ASN  11          1HB       ASN  11   2.415   8.364  -1.920
   64   1HD2  ASN  11          1HD2      ASN  11   1.433   7.015  -3.630
   65   2HD2  ASN  11          2HD2      ASN  11   0.207   7.640  -4.623
   66    HA   PRO  12           HA       PRO  12   0.585  10.431   2.030
   67   1HB   PRO  12          2HB       PRO  12  -2.133  10.093   1.799
   68   2HB   PRO  12          1HB       PRO  12  -1.332  11.673   1.719
   69   1HG   PRO  12          2HG       PRO  12  -2.508  10.052  -0.490
   70   2HG   PRO  12          1HG       PRO  12  -2.282  11.805  -0.383
   71   1HD   PRO  12          2HD       PRO  12  -0.649  10.006  -1.839
   72   2HD   PRO  12          1HD       PRO  12  -0.259  11.697  -1.454
   73    H    CYS  13           H        CYS  13  -0.258   8.145  -0.476
   74    HA   CYS  13           HA       CYS  13  -0.931   6.037   1.494
   75   1HB   CYS  13          2HB       CYS  13  -1.768   6.553  -1.112
   76   2HB   CYS  13          1HB       CYS  13  -0.704   5.155  -1.253
   77    H    CYS  14           H        CYS  14   1.878   7.256   1.019
   78    HA   CYS  14           HA       CYS  14   3.192   4.652   1.178
   79   1HB   CYS  14          2HB       CYS  14   3.368   6.362  -1.241
   80   2HB   CYS  14          1HB       CYS  14   4.881   5.662  -0.665
   81    H    ASP  15           H        ASP  15   4.844   4.754   2.559
   82    HA   ASP  15           HA       ASP  15   5.585   7.291   3.772
   83   1HB   ASP  15          2HB       ASP  15   5.497   4.763   4.695
   84   2HB   ASP  15          1HB       ASP  15   7.194   4.865   4.257
   85    H    ALA  16           H        ALA  16   7.325   8.548   3.211
   86    HA   ALA  16           HA       ALA  16   8.937   7.748   0.919
   87   1HB   ALA  16          1HB       ALA  16   9.726  10.166   2.415
   88   2HB   ALA  16          2HB       ALA  16   8.061  10.166   1.834
   89   3HB   ALA  16          3HB       ALA  16   9.392   9.966   0.695
   90    H    ALA  17           H        ALA  17   9.251   7.683   4.367
   91    HA   ALA  17           HA       ALA  17  12.178   7.599   4.353
   92   1HB   ALA  17          1HB       ALA  17  11.962   7.884   6.583
   93   2HB   ALA  17          2HB       ALA  17  10.888   6.493   6.726
   94   3HB   ALA  17          3HB       ALA  17  10.233   8.071   6.289
   95    H    THR  18           H        THR  18   9.733   5.370   3.628
   96    HA   THR  18           HA       THR  18  11.695   3.140   3.931
   97    HB   THR  18           HB       THR  18   9.806   1.652   4.602
   98    HG1  THR  18           HG1      THR  18   7.926   2.867   5.381
   99   1HG2  THR  18          1HG2      THR  18   9.988   4.025   6.464
  100   2HG2  THR  18          2HG2      THR  18  11.325   2.895   6.245
  101   3HG2  THR  18          3HG2      THR  18   9.785   2.324   6.887
  102    H    CYS  19           H        CYS  19  10.030   4.936   1.802
  103    HA   CYS  19           HA       CYS  19   9.068   4.539  -0.319
  104   1HB   CYS  19          2HB       CYS  19  11.645   3.489  -0.205
  105   2HB   CYS  19          1HB       CYS  19  10.684   2.213  -0.911
  106    H    LYS  20           H        LYS  20   7.114   3.677   0.879
  107    HA   LYS  20           HA       LYS  20   6.283   1.190  -0.313
  108   1HB   LYS  20          2HB       LYS  20   7.424   1.153   2.401
  109   2HB   LYS  20          1HB       LYS  20   5.842   0.381   2.269
  110   1HG   LYS  20          2HG       LYS  20   7.321  -0.439   0.002
  111   2HG   LYS  20          1HG       LYS  20   8.407  -0.593   1.384
  112   1HD   LYS  20          2HD       LYS  20   6.190  -1.638   2.487
  113   2HD   LYS  20          1HD       LYS  20   5.870  -2.039   0.799
  114   1HE   LYS  20          2HE       LYS  20   8.177  -3.037   0.672
  115   2HE   LYS  20          1HE       LYS  20   8.325  -2.783   2.411
  116   1HZ   LYS  20          1HZ       LYS  20   5.881  -4.085   1.661
  117   2HZ   LYS  20          2HZ       LYS  20   7.024  -4.518   2.842
  118   3HZ   LYS  20          3HZ       LYS  20   7.257  -4.972   1.221
  119    H    LEU  21           H        LEU  21   4.162   0.550   1.406
  120    HA   LEU  21           HA       LEU  21   2.482   2.932   1.016
  121   1HB   LEU  21          2HB       LEU  21   1.976   0.064   1.745
  122   2HB   LEU  21          1HB       LEU  21   0.738   1.273   2.087
  123    HG   LEU  21           HG       LEU  21   2.014   1.167  -0.631
  124   1HD1  LEU  21          1HD1      LEU  21   0.162  -0.791   0.596
  125   2HD1  LEU  21          2HD1      LEU  21   1.264  -0.984  -0.768
  126   3HD1  LEU  21          3HD1      LEU  21  -0.299  -0.200  -1.001
  127   1HD2  LEU  21          1HD2      LEU  21  -0.079   2.630   0.667
  128   2HD2  LEU  21          2HD2      LEU  21  -0.784   1.666  -0.630
  129   3HD2  LEU  21          3HD2      LEU  21   0.518   2.801  -0.984
  130    H    ARG  22           H        ARG  22   1.987   4.349   2.598
  131    HA   ARG  22           HA       ARG  22   3.114   3.969   5.265
  132   1HB   ARG  22          2HB       ARG  22   2.294   6.177   3.696
  133   2HB   ARG  22          1HB       ARG  22   1.265   6.177   5.131
  134   1HG   ARG  22          2HG       ARG  22   3.988   5.554   5.870
  135   2HG   ARG  22          1HG       ARG  22   3.940   7.064   4.957
  136   1HD   ARG  22          2HD       ARG  22   2.018   7.772   6.473
  137   2HD   ARG  22          1HD       ARG  22   2.415   6.379   7.479
  138    HE   ARG  22           HE       ARG  22   4.358   7.520   8.213
  139   1HH1  ARG  22          1HH1      ARG  22   2.423   9.833   7.102
  140   2HH1  ARG  22          2HH1      ARG  22   3.638  10.877   6.443
  141   1HH2  ARG  22          1HH2      ARG  22   6.165   8.512   6.656
  142   2HH2  ARG  22          2HH2      ARG  22   5.756  10.129   6.191
  143    HA   PRO  23           HA       PRO  23  -1.500   3.751   6.448
  144   1HB   PRO  23          2HB       PRO  23  -3.342   3.705   4.410
  145   2HB   PRO  23          1HB       PRO  23  -2.761   5.195   5.173
  146   1HG   PRO  23          2HG       PRO  23  -2.096   4.081   2.493
  147   2HG   PRO  23          1HG       PRO  23  -2.043   5.760   3.054
  148   1HD   PRO  23          2HD       PRO  23   0.178   4.019   2.750
  149   2HD   PRO  23          1HD       PRO  23   0.185   5.600   3.561
  150    H    GLY  24           H        GLY  24  -3.494   2.068   5.865
  151   1HA   GLY  24          2HA       GLY  24  -2.113  -0.506   5.418
  152   2HA   GLY  24          1HA       GLY  24  -3.751  -0.306   6.042
  153    H    ALA  25           H        ALA  25  -2.960   1.565   3.266
  154    HA   ALA  25           HA       ALA  25  -5.030   0.448   1.676
  155   1HB   ALA  25          1HB       ALA  25  -3.906   2.704   1.361
  156   2HB   ALA  25          2HB       ALA  25  -4.172   1.787  -0.122
  157   3HB   ALA  25          3HB       ALA  25  -2.566   1.842   0.607
  158    H    GLN  26           H        GLN  26  -4.425  -0.451  -0.647
  159    HA   GLN  26           HA       GLN  26  -2.566  -2.733  -0.185
  160   1HB   GLN  26          2HB       GLN  26  -5.204  -2.507  -1.362
  161   2HB   GLN  26          1HB       GLN  26  -4.073  -3.280  -2.469
  162   1HG   GLN  26          2HG       GLN  26  -4.538  -5.166  -1.282
  163   2HG   GLN  26          1HG       GLN  26  -3.425  -4.487  -0.095
  164   1HE2  GLN  26          1HE2      GLN  26  -6.631  -5.568  -0.529
  165   2HE2  GLN  26          2HE2      GLN  26  -7.303  -4.894   0.875
  166    H    CYS  27           H        CYS  27  -2.597   0.213  -1.636
  167    HA   CYS  27           HA       CYS  27  -0.246  -0.218  -3.158
  168   1HB   CYS  27          2HB       CYS  27  -1.089  -0.122  -5.444
  169   2HB   CYS  27          1HB       CYS  27  -1.807  -1.508  -4.620
  170    H    GLY  28           H        GLY  28   0.601   1.767  -3.849
  171   1HA   GLY  28          2HA       GLY  28  -1.131   4.131  -3.274
  172   2HA   GLY  28          1HA       GLY  28   0.607   4.113  -3.002
  173    H    GLU  29           H        GLU  29   0.475   2.442  -5.724
  174    HA   GLU  29           HA       GLU  29  -0.304   4.271  -7.756
  175   1HB   GLU  29          2HB       GLU  29   1.958   5.125  -8.402
  176   2HB   GLU  29          1HB       GLU  29   1.396   5.753  -6.855
  177   1HG   GLU  29          2HG       GLU  29   3.227   4.922  -5.855
  178   2HG   GLU  29          1HG       GLU  29   2.749   3.297  -6.343
  179    H    GLY  30           H        GLY  30  -0.294   3.133  -9.654
  180   1HA   GLY  30          2HA       GLY  30   1.768   1.368 -10.507
  181   2HA   GLY  30          1HA       GLY  30   0.496   0.410  -9.751
  182    H    LEU  31           H        LEU  31   0.513  -0.366 -12.155
  183    HA   LEU  31           HA       LEU  31  -0.682   1.375 -14.136
  184   1HB   LEU  31          2HB       LEU  31   0.391  -1.278 -14.035
  185   2HB   LEU  31          1HB       LEU  31  -1.176  -1.310 -14.836
  186    HG   LEU  31           HG       LEU  31   0.807  -0.861 -16.358
  187   1HD1  LEU  31          1HD1      LEU  31  -1.455  -0.277 -17.051
  188   2HD1  LEU  31          2HD1      LEU  31  -0.361   1.019 -17.534
  189   3HD1  LEU  31          3HD1      LEU  31  -1.391   1.216 -16.115
  190   1HD2  LEU  31          1HD2      LEU  31   1.983   1.169 -16.212
  191   2HD2  LEU  31          2HD2      LEU  31   1.802   0.712 -14.518
  192   3HD2  LEU  31          3HD2      LEU  31   0.736   1.928 -15.222
  193    H    CYS  32           H        CYS  32  -1.906  -0.566 -11.570
  194    HA   CYS  32           HA       CYS  32  -4.659   0.195 -12.335
  195   1HB   CYS  32          2HB       CYS  32  -4.062  -2.669 -11.578
  196   2HB   CYS  32          1HB       CYS  32  -5.540  -2.009 -12.277
  197    H    CYS  33           H        CYS  33  -3.811   1.546 -10.385
  198    HA   CYS  33           HA       CYS  33  -4.538   0.065  -7.890
  199   1HB   CYS  33          2HB       CYS  33  -2.184   0.488  -7.730
  200   2HB   CYS  33          1HB       CYS  33  -2.373   2.140  -8.310
  201    H    GLU  34           H        GLU  34  -6.531   0.815  -7.366
  202    HA   GLU  34           HA       GLU  34  -7.505   3.427  -8.119
  203   1HB   GLU  34          2HB       GLU  34  -8.724   1.869  -5.886
  204   2HB   GLU  34          1HB       GLU  34  -9.523   2.792  -7.150
  205   1HG   GLU  34          2HG       GLU  34  -8.190   0.090  -7.418
  206   2HG   GLU  34          1HG       GLU  34  -9.888   0.486  -7.669
  207    H    GLN  35           H        GLN  35  -8.618   4.612  -5.930
  208    HA   GLN  35           HA       GLN  35  -6.450   5.960  -4.719
  209   1HB   GLN  35          2HB       GLN  35  -8.286   6.602  -2.984
  210   2HB   GLN  35          1HB       GLN  35  -8.488   7.115  -4.659
  211   1HG   GLN  35          2HG       GLN  35 -10.156   5.558  -5.083
  212   2HG   GLN  35          1HG       GLN  35  -9.585   4.453  -3.832
  213   1HE2  GLN  35          1HE2      GLN  35 -11.200   7.636  -4.254
  214   2HE2  GLN  35          2HE2      GLN  35 -12.026   7.584  -2.771
  215    H    CYS  36           H        CYS  36  -5.007   4.366  -3.874
  216    HA   CYS  36           HA       CYS  36  -4.102   3.066  -2.147
  217   1HB   CYS  36          2HB       CYS  36  -6.445   4.308  -0.686
  218   2HB   CYS  36          1HB       CYS  36  -5.211   3.327   0.102
  219    H    LYS  37           H        LYS  37  -5.820   1.750  -4.003
  220    HA   LYS  37           HA       LYS  37  -6.574  -0.561  -2.341
  221   1HB   LYS  37          2HB       LYS  37  -8.560   1.250  -2.838
  222   2HB   LYS  37          1HB       LYS  37  -8.716   0.192  -4.241
  223   1HG   LYS  37          2HG       LYS  37 -10.104  -0.795  -2.588
  224   2HG   LYS  37          1HG       LYS  37  -8.627  -1.759  -2.567
  225   1HD   LYS  37          2HD       LYS  37  -8.088  -1.096  -0.466
  226   2HD   LYS  37          1HD       LYS  37  -8.531   0.580  -0.789
  227   1HE   LYS  37          2HE       LYS  37 -10.224   0.068   0.679
  228   2HE   LYS  37          1HE       LYS  37 -10.990  -0.500  -0.804
  229   1HZ   LYS  37          1HZ       LYS  37 -10.106  -2.717  -0.343
  230   2HZ   LYS  37          2HZ       LYS  37 -11.121  -2.178   0.907
  231   3HZ   LYS  37          3HZ       LYS  37  -9.434  -2.157   1.109
  232    H    PHE  38           H        PHE  38  -6.443  -2.483  -3.522
  233    HA   PHE  38           HA       PHE  38  -4.965  -2.450  -5.969
  234   1HB   PHE  38          2HB       PHE  38  -6.428  -4.548  -4.406
  235   2HB   PHE  38          1HB       PHE  38  -5.921  -4.922  -6.052
  236    HD1  PHE  38           HD1      PHE  38  -3.395  -3.379  -6.263
  237    HD2  PHE  38           HD2      PHE  38  -4.940  -5.767  -3.042
  238    HE1  PHE  38           HE1      PHE  38  -1.087  -3.786  -5.455
  239    HE2  PHE  38           HE2      PHE  38  -2.631  -6.174  -2.237
  240    HZ   PHE  38           HZ       PHE  38  -0.703  -5.183  -3.443
  241    H    SER  39           H        SER  39  -5.665  -2.206  -8.037
  242    HA   SER  39           HA       SER  39  -8.311  -1.463  -8.706
  243   1HB   SER  39          2HB       SER  39  -7.637  -2.014 -11.057
  244   2HB   SER  39          1HB       SER  39  -6.454  -1.015 -10.220
  245    HG   SER  39           HG       SER  39  -6.241  -3.801 -10.047
  246    H    ARG  40           H        ARG  40  -9.573  -2.887 -10.456
  247    HA   ARG  40           HA       ARG  40  -9.973  -5.511  -9.170
  248   1HB   ARG  40          2HB       ARG  40 -11.754  -3.549 -10.160
  249   2HB   ARG  40          1HB       ARG  40 -11.920  -4.971 -11.188
  250   1HG   ARG  40          2HG       ARG  40 -12.045  -6.337  -9.027
  251   2HG   ARG  40          1HG       ARG  40 -12.257  -4.799  -8.191
  252   1HD   ARG  40          2HD       ARG  40 -14.024  -5.897 -10.397
  253   2HD   ARG  40          1HD       ARG  40 -14.449  -5.758  -8.690
  254    HE   ARG  40           HE       ARG  40 -13.846  -3.342 -10.348
  255   1HH1  ARG  40          1HH1      ARG  40 -14.585  -3.752  -7.270
  256   2HH1  ARG  40          2HH1      ARG  40 -16.180  -3.074  -7.296
  257   1HH2  ARG  40          1HH2      ARG  40 -16.409  -3.070 -10.756
  258   2HH2  ARG  40          2HH2      ARG  40 -17.212  -2.689  -9.270
  259    H    ALA  41           H        ALA  41  -9.610  -7.384 -10.271
  260    HA   ALA  41           HA       ALA  41  -7.866  -7.614 -12.392
  261   1HB   ALA  41          1HB       ALA  41  -9.447  -9.780 -12.866
  262   2HB   ALA  41          2HB       ALA  41  -9.952  -9.363 -11.229
  263   3HB   ALA  41          3HB       ALA  41  -8.256  -9.708 -11.569
  264    H    GLY  42           H        GLY  42  -8.469  -8.530 -14.660
  265   1HA   GLY  42          2HA       GLY  42  -9.527  -8.219 -16.729
  266   2HA   GLY  42          1HA       GLY  42 -10.973  -7.759 -15.836
  267    H    LYS  43           H        LYS  43  -8.120  -6.021 -15.027
  268    HA   LYS  43           HA       LYS  43  -9.255  -3.616 -16.313
  269   1HB   LYS  43          2HB       LYS  43  -8.705  -3.212 -14.041
  270   2HB   LYS  43          1HB       LYS  43  -7.176  -4.073 -14.175
  271   1HG   LYS  43          2HG       LYS  43  -6.486  -1.836 -14.215
  272   2HG   LYS  43          1HG       LYS  43  -6.579  -2.212 -15.928
  273   1HD   LYS  43          2HD       LYS  43  -7.700  -0.101 -15.585
  274   2HD   LYS  43          1HD       LYS  43  -8.938  -1.313 -15.918
  275   1HE   LYS  43          2HE       LYS  43  -9.619  -1.417 -13.670
  276   2HE   LYS  43          1HE       LYS  43  -8.116  -0.706 -13.085
  277   1HZ   LYS  43          1HZ       LYS  43  -9.790   0.950 -12.971
  278   2HZ   LYS  43          2HZ       LYS  43 -10.295   0.655 -14.566
  279   3HZ   LYS  43          3HZ       LYS  43  -8.779   1.363 -14.269
  280    H    ILE  44           H        ILE  44  -8.323  -2.778 -18.172
  281    HA   ILE  44           HA       ILE  44  -6.075  -4.223 -19.354
  282    HB   ILE  44           HB       ILE  44  -7.794  -3.398 -20.834
  283   1HG1  ILE  44          2HG1      ILE  44  -6.433  -2.007 -22.374
  284   2HG1  ILE  44          1HG1      ILE  44  -5.272  -1.722 -21.075
  285   1HG2  ILE  44          1HG2      ILE  44  -7.523  -0.622 -20.843
  286   2HG2  ILE  44          2HG2      ILE  44  -7.541  -1.049 -19.132
  287   3HG2  ILE  44          3HG2      ILE  44  -8.877  -1.534 -20.175
  288   1HD1  ILE  44          1HD1      ILE  44  -5.805  -4.555 -21.344
  289   2HD1  ILE  44          2HD1      ILE  44  -4.267  -3.700 -21.460
  290   3HD1  ILE  44          3HD1      ILE  44  -5.287  -3.879 -22.888
  291    H    CYS  45           H        CYS  45  -4.156  -3.873 -18.325
  292    HA   CYS  45           HA       CYS  45  -3.373  -1.193 -17.389
  293   1HB   CYS  45          2HB       CYS  45  -1.253  -2.402 -16.742
  294   2HB   CYS  45          1HB       CYS  45  -2.714  -3.062 -16.017
  295    H    ARG  46           H        ARG  46  -2.968  -3.190 -20.181
  296    HA   ARG  46           HA       ARG  46  -1.589  -1.059 -21.599
  297   1HB   ARG  46          2HB       ARG  46  -0.061  -3.307 -20.428
  298   2HB   ARG  46          1HB       ARG  46   0.277  -2.978 -22.127
  299   1HG   ARG  46          2HG       ARG  46   0.535  -0.527 -21.470
  300   2HG   ARG  46          1HG       ARG  46   0.517  -1.071 -19.792
  301   1HD   ARG  46          2HD       ARG  46   2.702  -1.574 -19.947
  302   2HD   ARG  46          1HD       ARG  46   2.326  -2.756 -21.201
  303    HE   ARG  46           HE       ARG  46   2.722   0.112 -21.927
  304   1HH1  ARG  46          1HH1      ARG  46   2.271  -2.479 -23.678
  305   2HH1  ARG  46          2HH1      ARG  46   3.857  -2.632 -24.358
  306   1HH2  ARG  46          1HH2      ARG  46   5.313  -0.401 -22.139
  307   2HH2  ARG  46          2HH2      ARG  46   5.578  -1.455 -23.487
  308    H    ILE  47           H        ILE  47  -2.425  -1.187 -23.621
  309    HA   ILE  47           HA       ILE  47  -3.600  -3.748 -24.524
  310    HB   ILE  47           HB       ILE  47  -4.955  -1.739 -24.811
  311   1HG1  ILE  47          2HG1      ILE  47  -5.404  -1.913 -27.215
  312   2HG1  ILE  47          1HG1      ILE  47  -3.828  -2.660 -27.475
  313   1HG2  ILE  47          1HG2      ILE  47  -3.454  -0.418 -26.881
  314   2HG2  ILE  47          2HG2      ILE  47  -2.450  -0.570 -25.439
  315   3HG2  ILE  47          3HG2      ILE  47  -4.017   0.234 -25.341
  316   1HD1  ILE  47          1HD1      ILE  47  -5.961  -3.822 -25.665
  317   2HD1  ILE  47          2HD1      ILE  47  -4.455  -4.592 -26.161
  318   3HD1  ILE  47          3HD1      ILE  47  -5.731  -4.308 -27.344
  319    H    ALA  48           H        ALA  48  -2.445  -5.096 -25.814
  320    HA   ALA  48           HA       ALA  48   0.194  -4.648 -26.659
  321   1HB   ALA  48          1HB       ALA  48  -1.697  -6.719 -26.906
  322   2HB   ALA  48          2HB       ALA  48   0.012  -6.786 -27.337
  323   3HB   ALA  48          3HB       ALA  48  -1.187  -6.348 -28.552
  324    H    LYS  49           H        LYS  49   0.521  -5.033 -29.314
  325    HA   LYS  49           HA       LYS  49  -1.019  -2.914 -30.711
  326   1HB   LYS  49          2HB       LYS  49   1.976  -3.033 -30.749
  327   2HB   LYS  49          1HB       LYS  49   0.956  -1.773 -31.434
  328   1HG   LYS  49          2HG       LYS  49   0.264  -1.039 -29.253
  329   2HG   LYS  49          1HG       LYS  49   0.998  -2.446 -28.483
  330   1HD   LYS  49          2HD       LYS  49   2.587  -0.398 -30.048
  331   2HD   LYS  49          1HD       LYS  49   2.355  -0.314 -28.302
  332   1HE   LYS  49          2HE       LYS  49   3.573  -2.669 -29.774
  333   2HE   LYS  49          1HE       LYS  49   4.491  -1.436 -28.910
  334   1HZ   LYS  49          1HZ       LYS  49   2.575  -2.271 -27.138
  335   2HZ   LYS  49          2HZ       LYS  49   4.223  -2.682 -27.112
  336   3HZ   LYS  49          3HZ       LYS  49   3.101  -3.699 -27.883
  337    H    GLY  50           H        GLY  50  -1.180  -5.745 -31.096
  338   1HA   GLY  50          2HA       GLY  50  -0.861  -5.938 -33.910
  339   2HA   GLY  50          1HA       GLY  50   0.509  -6.731 -33.153
  340    H    ASP  51           H        ASP  51   0.226  -8.750 -32.300
  341    HA   ASP  51           HA       ASP  51  -2.497  -9.757 -31.832
  342   1HB   ASP  51          2HB       ASP  51  -1.015 -10.375 -34.170
  343   2HB   ASP  51          1HB       ASP  51  -1.020 -11.812 -33.149
  344    H    TRP  52           H        TRP  52  -2.074 -10.031 -29.637
  345    HA   TRP  52           HA       TRP  52  -0.630 -12.366 -28.829
  346   1HB   TRP  52          2HB       TRP  52   0.928 -10.567 -27.376
  347   2HB   TRP  52          1HB       TRP  52   1.477 -11.554 -28.726
  348    HD1  TRP  52           HD1      TRP  52  -0.641  -8.305 -28.599
  349    HE1  TRP  52           HE1      TRP  52   0.391  -6.613 -30.236
  350    HE3  TRP  52           HE3      TRP  52   3.341 -11.019 -30.278
  351    HZ2  TRP  52           HZ2      TRP  52   2.618  -6.422 -32.013
  352    HZ3  TRP  52           HZ3      TRP  52   4.896 -10.058 -31.952
  353    HH2  TRP  52           HH2      TRP  52   4.529  -7.762 -32.826
  354    H    ASN  53           H        ASN  53  -3.185 -11.374 -28.333
  355    HA   ASN  53           HA       ASN  53  -4.685 -10.921 -26.588
  356   1HB   ASN  53          2HB       ASN  53  -2.410 -12.403 -25.354
  357   2HB   ASN  53          1HB       ASN  53  -3.568 -11.642 -24.262
  358   1HD2  ASN  53          1HD2      ASN  53  -3.692 -13.579 -27.318
  359   2HD2  ASN  53          2HD2      ASN  53  -4.993 -14.546 -26.817
  360    H    ASP  54           H        ASP  54  -4.866  -9.687 -24.412
  361    HA   ASP  54           HA       ASP  54  -3.038  -7.322 -24.541
  362   1HB   ASP  54          2HB       ASP  54  -5.127  -6.349 -23.167
  363   2HB   ASP  54          1HB       ASP  54  -5.095  -6.344 -24.928
  364    H    ASP  55           H        ASP  55  -3.280  -6.132 -22.223
  365    HA   ASP  55           HA       ASP  55  -2.519  -8.203 -20.224
  366   1HB   ASP  55          2HB       ASP  55  -2.005  -5.250 -20.074
  367   2HB   ASP  55          1HB       ASP  55  -1.234  -6.516 -19.126
  368    H    ARG  56           H        ARG  56  -3.866  -8.510 -18.480
  369    HA   ARG  56           HA       ARG  56  -5.860  -6.366 -17.929
  370   1HB   ARG  56          2HB       ARG  56  -6.339  -9.330 -17.980
  371   2HB   ARG  56          1HB       ARG  56  -7.516  -8.142 -17.437
  372   1HG   ARG  56          2HG       ARG  56  -6.303  -7.636 -20.096
  373   2HG   ARG  56          1HG       ARG  56  -7.375  -9.033 -19.997
  374   1HD   ARG  56          2HD       ARG  56  -9.066  -7.510 -18.859
  375   2HD   ARG  56          1HD       ARG  56  -8.026  -6.158 -19.310
  376    HE   ARG  56           HE       ARG  56  -8.345  -7.194 -21.724
  377   1HH1  ARG  56          1HH1      ARG  56 -10.299  -5.113 -21.121
  378   2HH1  ARG  56          2HH1      ARG  56 -11.822  -5.923 -21.282
  379   1HH2  ARG  56          1HH2      ARG  56 -10.452  -9.102 -21.077
  380   2HH2  ARG  56          2HH2      ARG  56 -11.907  -8.180 -21.257
  381    H    CYS  57           H        CYS  57  -4.723  -5.614 -16.061
  382    HA   CYS  57           HA       CYS  57  -3.419  -6.908 -14.043
  383   1HB   CYS  57          2HB       CYS  57  -5.468  -4.700 -13.887
  384   2HB   CYS  57          1HB       CYS  57  -4.705  -5.315 -12.429
  385    H    THR  58           H        THR  58  -4.069  -7.900 -12.024
  386    HA   THR  58           HA       THR  58  -6.549  -9.498 -12.306
  387    HB   THR  58           HB       THR  58  -5.596 -11.005 -10.750
  388    HG1  THR  58           HG1      THR  58  -3.770  -8.937 -10.089
  389   1HG2  THR  58          1HG2      THR  58  -3.409  -9.732 -12.409
  390   2HG2  THR  58          2HG2      THR  58  -4.374 -11.152 -12.809
  391   3HG2  THR  58          3HG2      THR  58  -3.186 -11.232 -11.509
  392    H    GLY  59           H        GLY  59  -7.400  -9.978  -9.828
  393   1HA   GLY  59          2HA       GLY  59  -8.198  -7.284  -8.858
  394   2HA   GLY  59          1HA       GLY  59  -9.044  -8.790  -8.500
  395    H    GLN  60           H        GLN  60  -5.613  -8.917  -8.278
  396    HA   GLN  60           HA       GLN  60  -5.798  -8.639  -5.306
  397   1HB   GLN  60          2HB       GLN  60  -4.581 -10.800  -6.995
  398   2HB   GLN  60          1HB       GLN  60  -3.852 -10.419  -5.434
  399   1HG   GLN  60          2HG       GLN  60  -6.601 -10.498  -4.920
  400   2HG   GLN  60          1HG       GLN  60  -6.315 -11.856  -6.009
  401   1HE2  GLN  60          1HE2      GLN  60  -4.437 -13.345  -5.347
  402   2HE2  GLN  60          2HE2      GLN  60  -4.158 -13.572  -3.689
  403    H    SER  61           H        SER  61  -3.989  -8.017  -8.238
  404    HA   SER  61           HA       SER  61  -1.920  -6.622  -6.584
  405   1HB   SER  61          2HB       SER  61  -1.241  -8.552  -8.181
  406   2HB   SER  61          1HB       SER  61  -1.548  -7.397  -9.473
  407    HG   SER  61           HG       SER  61   0.656  -7.601  -8.281
  408    H    ALA  62           H        ALA  62  -0.831  -4.899  -8.310
  409    HA   ALA  62           HA       ALA  62  -3.081  -3.345  -9.507
  410   1HB   ALA  62          1HB       ALA  62  -1.482  -2.634  -7.207
  411   2HB   ALA  62          2HB       ALA  62  -2.832  -1.756  -7.927
  412   3HB   ALA  62          3HB       ALA  62  -1.191  -1.488  -8.516
  413    H    ASP  63           H        ASP  63   0.411  -3.945  -9.337
  414    HA   ASP  63           HA       ASP  63   1.165  -2.290 -11.541
  415   1HB   ASP  63          2HB       ASP  63   2.547  -4.876 -11.007
  416   2HB   ASP  63          1HB       ASP  63   3.244  -3.319 -11.430
  417    H    CYS  64           H        CYS  64   2.297  -3.678 -13.514
  418    HA   CYS  64           HA       CYS  64   0.333  -5.677 -14.490
  419   1HB   CYS  64          2HB       CYS  64  -0.543  -3.607 -15.375
  420   2HB   CYS  64          1HB       CYS  64   1.055  -3.108 -15.925
  421    HA   PRO  65           HA       PRO  65   4.200  -7.390 -15.730
  422   1HB   PRO  65          2HB       PRO  65   3.098  -9.749 -16.565
  423   2HB   PRO  65          1HB       PRO  65   3.428  -9.384 -14.871
  424   1HG   PRO  65          2HG       PRO  65   0.833  -9.508 -16.312
  425   2HG   PRO  65          1HG       PRO  65   1.164  -9.685 -14.580
  426   1HD   PRO  65          2HD       PRO  65   0.135  -7.376 -15.877
  427   2HD   PRO  65          1HD       PRO  65   0.695  -7.486 -14.196
  428    H    ARG  66           H        ARG  66   5.222  -7.158 -17.696
  429    HA   ARG  66           HA       ARG  66   3.832  -6.324 -20.042
  430   1HB   ARG  66          2HB       ARG  66   6.594  -7.564 -19.897
  431   2HB   ARG  66          1HB       ARG  66   5.976  -6.511 -21.170
  432   1HG   ARG  66          2HG       ARG  66   5.772  -4.659 -19.591
  433   2HG   ARG  66          1HG       ARG  66   6.281  -5.704 -18.262
  434   1HD   ARG  66          2HD       ARG  66   8.131  -5.687 -20.557
  435   2HD   ARG  66          1HD       ARG  66   7.980  -4.133 -19.739
  436    HE   ARG  66           HE       ARG  66   8.330  -5.853 -17.640
  437   1HH1  ARG  66          1HH2      ARG  66   9.689  -7.814 -19.361
  438   2HH1  ARG  66          2HH2      ARG  66  11.336  -7.277 -19.347
  439   1HH2  ARG  66          1HH1      ARG  66  10.570  -4.106 -18.166
  440   2HH2  ARG  66          2HH1      ARG  66  11.834  -5.178 -18.671
  441    H    TYR  67           H        TYR  67   2.335  -7.725 -20.910
  442    HA   TYR  67           HA       TYR  67   2.565 -10.567 -20.921
  443   1HB   TYR  67          2HB       TYR  67   0.710  -8.604 -21.851
  444   2HB   TYR  67          1HB       TYR  67   1.017  -9.748 -23.156
  445    HD1  TYR  67           HD1      TYR  67   0.168  -9.570 -19.517
  446    HD2  TYR  67           HD2      TYR  67   0.021 -11.880 -23.135
  447    HE1  TYR  67           HE1      TYR  67  -1.270 -11.247 -18.389
  448    HE2  TYR  67           HE2      TYR  67  -1.417 -13.556 -22.007
  449    HH   TYR  67           HH       TYR  67  -1.704 -14.223 -19.328
  450    H    HIS  68           HN       HIS  68   3.544  -8.085 -23.240
  451    HA   HIS  68           HA       HIS  68   5.363 -10.015 -24.511
  452   1HB   HIS  68          2HB       HIS  68   2.797  -9.334 -25.671
  453   2HB   HIS  68          1HB       HIS  68   4.109  -8.789 -26.715
  454    HD1  HIS  68           HD1      HIS  68   2.099 -11.654 -26.218
  455    HD2  HIS  68           HD2      HIS  68   6.183 -11.110 -26.849
  456    HE1  HIS  68           HE1      HIS  68   3.000 -13.878 -27.031
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1  13.119  -8.618  -1.256
    2   2H    GLY   1          2HT       GLY   1  12.175 -10.026  -1.377
    3   3H    GLY   1          3HT       GLY   1  12.327  -9.226   0.115
    4   1HA   GLY   1          1HA       GLY   1  10.758  -8.465  -2.254
    5   2HA   GLY   1          2HA       GLY   1  10.262  -8.519  -0.563
    6    H    LYS   2           H        LYS   2  10.228  -6.278  -2.595
    7    HA   LYS   2           HA       LYS   2  12.222  -4.350  -1.817
    8   1HB   LYS   2          2HB       LYS   2   9.625  -4.261  -3.308
    9   2HB   LYS   2          1HB       LYS   2  10.329  -2.743  -2.747
   10   1HG   LYS   2          2HG       LYS   2  11.593  -2.804  -4.620
   11   2HG   LYS   2          1HG       LYS   2  12.503  -4.090  -3.826
   12   1HD   LYS   2          2HD       LYS   2  10.981  -5.772  -4.801
   13   2HD   LYS   2          1HD       LYS   2  10.077  -4.487  -5.602
   14   1HE   LYS   2          2HE       LYS   2  12.585  -3.882  -6.434
   15   2HE   LYS   2          1HE       LYS   2  12.728  -5.633  -6.274
   16   1HZ   LYS   2          1HZ       LYS   2  10.283  -5.132  -7.481
   17   2HZ   LYS   2          2HZ       LYS   2  11.665  -5.820  -8.189
   18   3HZ   LYS   2          3HZ       LYS   2  11.409  -4.142  -8.274
   19    H    GLU   3           H        GLU   3  11.864  -2.438  -0.498
   20    HA   GLU   3           HA       GLU   3   9.726  -2.824   1.560
   21   1HB   GLU   3          2HB       GLU   3  11.284  -1.866   3.209
   22   2HB   GLU   3          1HB       GLU   3  11.991  -3.297   2.457
   23   1HG   GLU   3          2HG       GLU   3  12.687  -1.112   0.803
   24   2HG   GLU   3          1HG       GLU   3  12.984  -0.589   2.461
   25    H    CYS   4           H        CYS   4   9.414  -1.299  -0.823
   26    HA   CYS   4           HA       CYS   4   8.897   1.323   0.409
   27   1HB   CYS   4          2HB       CYS   4  11.079   1.631  -0.640
   28   2HB   CYS   4          1HB       CYS   4  10.435   1.019  -2.137
   29    H    ASP   5           H        ASP   5   6.725   0.264   0.203
   30    HA   ASP   5           HA       ASP   5   5.358  -0.652  -1.957
   31   1HB   ASP   5          2HB       ASP   5   4.599   0.440   0.447
   32   2HB   ASP   5          1HB       ASP   5   3.898   1.581  -0.704
   33    H    CYS   6           H        CYS   6   6.261   2.749  -1.483
   34    HA   CYS   6           HA       CYS   6   6.186   3.160  -4.368
   35   1HB   CYS   6          2HB       CYS   6   4.083   3.948  -4.485
   36   2HB   CYS   6          1HB       CYS   6   3.907   3.874  -2.744
   37    H    SER   7           H        SER   7   7.298   5.127  -4.967
   38    HA   SER   7           HA       SER   7   9.014   6.146  -2.756
   39   1HB   SER   7          2HB       SER   7  10.065   7.146  -5.102
   40   2HB   SER   7          1HB       SER   7  10.591   5.667  -4.305
   41    HG   SER   7           HG       SER   7   9.759   5.726  -6.661
   42    H    SER   8           H        SER   8   6.419   7.111  -4.806
   43    HA   SER   8           HA       SER   8   6.927   9.872  -5.113
   44   1HB   SER   8          2HB       SER   8   5.006   8.587  -6.106
   45   2HB   SER   8          1HB       SER   8   4.244   8.663  -4.527
   46    HG   SER   8           HG       SER   8   4.045  10.440  -6.358
   47    HA   PRO   9           HA       PRO   9   6.848  10.842  -0.731
   48   1HB   PRO   9          2HB       PRO   9   7.821  13.396  -1.052
   49   2HB   PRO   9          1HB       PRO   9   8.849  11.952  -1.011
   50   1HG   PRO   9          2HG       PRO   9   8.048  13.622  -3.351
   51   2HG   PRO   9          1HG       PRO   9   9.497  12.629  -3.124
   52   1HD   PRO   9          2HD       PRO   9   7.233  11.912  -4.655
   53   2HD   PRO   9          1HD       PRO   9   8.520  10.809  -4.123
   54    H    GLU  10           H        GLU  10   5.500  12.754  -3.374
   55    HA   GLU  10           HA       GLU  10   3.791  14.355  -1.615
   56   1HB   GLU  10          2HB       GLU  10   4.578  15.229  -3.802
   57   2HB   GLU  10          1HB       GLU  10   3.691  13.944  -4.623
   58   1HG   GLU  10          2HG       GLU  10   2.180  15.731  -4.723
   59   2HG   GLU  10          1HG       GLU  10   1.636  14.858  -3.289
   60    H    ASN  11           H        ASN  11   3.689  11.297  -3.185
   61    HA   ASN  11           HA       ASN  11   0.831  10.972  -3.303
   62   1HB   ASN  11          2HB       ASN  11   2.657   9.674  -4.568
   63   2HB   ASN  11          1HB       ASN  11   2.868   8.758  -3.079
   64   1HD2  ASN  11          1HD2      ASN  11   2.015   7.339  -5.296
   65   2HD2  ASN  11          2HD2      ASN  11   0.378   6.926  -5.141
   66    HA   PRO  12           HA       PRO  12   0.513  10.311   1.121
   67   1HB   PRO  12          2HB       PRO  12  -2.229  10.158   1.150
   68   2HB   PRO  12          1HB       PRO  12  -1.332  11.685   1.098
   69   1HG   PRO  12          2HG       PRO  12  -2.828  10.313  -1.087
   70   2HG   PRO  12          1HG       PRO  12  -2.473  12.036  -0.881
   71   1HD   PRO  12          2HD       PRO  12  -1.118  10.264  -2.622
   72   2HD   PRO  12          1HD       PRO  12  -0.572  11.889  -2.153
   73    H    CYS  13           H        CYS  13  -0.647   8.235  -1.423
   74    HA   CYS  13           HA       CYS  13  -1.679   6.107   0.233
   75   1HB   CYS  13          2HB       CYS  13  -0.772   6.323  -2.622
   76   2HB   CYS  13          1HB       CYS  13  -1.090   4.737  -1.925
   77    H    CYS  14           H        CYS  14   1.460   7.271  -0.083
   78    HA   CYS  14           HA       CYS  14   2.480   4.698   1.005
   79   1HB   CYS  14          2HB       CYS  14   4.653   5.429  -0.397
   80   2HB   CYS  14          1HB       CYS  14   3.421   4.351  -1.046
   81    H    ASP  15           H        ASP  15   2.997   5.287   3.015
   82    HA   ASP  15           HA       ASP  15   3.743   7.823   3.951
   83   1HB   ASP  15          2HB       ASP  15   3.448   5.319   5.057
   84   2HB   ASP  15          1HB       ASP  15   5.172   5.616   5.221
   85    H    ALA  16           H        ALA  16   5.328   8.993   2.942
   86    HA   ALA  16           HA       ALA  16   7.609   7.878   1.637
   87   1HB   ALA  16          1HB       ALA  16   8.450  10.195   1.582
   88   2HB   ALA  16          2HB       ALA  16   7.222  10.670   2.757
   89   3HB   ALA  16          3HB       ALA  16   6.742  10.141   1.145
   90    H    ALA  17           H        ALA  17   6.994   8.794   4.954
   91    HA   ALA  17           HA       ALA  17   9.670   9.064   5.873
   92   1HB   ALA  17          1HB       ALA  17   8.766   8.573   8.096
   93   2HB   ALA  17          2HB       ALA  17   7.301   7.907   7.375
   94   3HB   ALA  17          3HB       ALA  17   7.654   9.628   7.224
   95    H    THR  18           H        THR  18   7.944   6.291   4.777
   96    HA   THR  18           HA       THR  18  10.239   4.594   5.642
   97    HB   THR  18           HB       THR  18   8.634   3.880   7.190
   98    HG1  THR  18           HG1      THR  18   8.469   1.878   6.567
   99   1HG2  THR  18          1HG2      THR  18   6.663   4.431   4.977
  100   2HG2  THR  18          2HG2      THR  18   6.730   5.140   6.591
  101   3HG2  THR  18          3HG2      THR  18   6.216   3.465   6.384
  102    H    CYS  19           H        CYS  19   8.463   5.763   3.075
  103    HA   CYS  19           HA       CYS  19   8.546   5.125   0.784
  104   1HB   CYS  19          2HB       CYS  19  10.791   3.978   1.942
  105   2HB   CYS  19          1HB       CYS  19   9.989   2.650   1.107
  106    H    LYS  20           H        LYS  20   6.970   3.561   3.193
  107    HA   LYS  20           HA       LYS  20   5.903   1.477   1.325
  108   1HB   LYS  20          2HB       LYS  20   6.259   1.572   4.285
  109   2HB   LYS  20          1HB       LYS  20   4.879   0.675   3.650
  110   1HG   LYS  20          2HG       LYS  20   6.730  -0.292   1.994
  111   2HG   LYS  20          1HG       LYS  20   7.801   0.132   3.330
  112   1HD   LYS  20          2HD       LYS  20   5.433  -1.160   4.357
  113   2HD   LYS  20          1HD       LYS  20   6.167  -2.168   3.109
  114   1HE   LYS  20          2HE       LYS  20   7.616  -2.850   4.703
  115   2HE   LYS  20          1HE       LYS  20   8.351  -1.253   4.566
  116   1HZ   LYS  20          1HZ       LYS  20   7.687  -0.808   6.613
  117   2HZ   LYS  20          2HZ       LYS  20   6.986  -2.350   6.746
  118   3HZ   LYS  20          3HZ       LYS  20   6.067  -1.041   6.169
  119    H    LEU  21           H        LEU  21   3.495   0.916   2.425
  120    HA   LEU  21           HA       LEU  21   1.836   3.082   1.500
  121   1HB   LEU  21          2HB       LEU  21   1.385   0.401   2.737
  122   2HB   LEU  21          1HB       LEU  21   0.051   1.555   2.758
  123    HG   LEU  21           HG       LEU  21   1.587   1.024   0.221
  124   1HD1  LEU  21          1HD1      LEU  21  -0.778  -0.518   1.322
  125   2HD1  LEU  21          2HD1      LEU  21   0.822  -1.164   0.958
  126   3HD1  LEU  21          3HD1      LEU  21  -0.224  -0.610  -0.348
  127   1HD2  LEU  21          1HD2      LEU  21  -0.579   2.692   1.025
  128   2HD2  LEU  21          2HD2      LEU  21  -1.226   1.470  -0.070
  129   3HD2  LEU  21          3HD2      LEU  21   0.105   2.503  -0.589
  130    H    ARG  22           H        ARG  22   0.810   4.687   2.670
  131    HA   ARG  22           HA       ARG  22   1.639   4.985   5.478
  132   1HB   ARG  22          2HB       ARG  22   1.761   7.090   4.614
  133   2HB   ARG  22          1HB       ARG  22   0.574   6.760   3.361
  134   1HG   ARG  22          2HG       ARG  22  -1.228   6.909   5.100
  135   2HG   ARG  22          1HG       ARG  22   0.002   7.367   6.280
  136   1HD   ARG  22          2HD       ARG  22  -0.508   8.869   3.699
  137   2HD   ARG  22          1HD       ARG  22  -1.195   9.327   5.258
  138    HE   ARG  22           HE       ARG  22   1.746   9.066   5.152
  139   1HH1  ARG  22          1HH1      ARG  22  -0.200  11.292   3.737
  140   2HH1  ARG  22          2HH1      ARG  22   0.241  12.633   4.741
  141   1HH2  ARG  22          1HH2      ARG  22   1.952  10.689   7.045
  142   2HH2  ARG  22          2HH2      ARG  22   1.459  12.291   6.613
  143    HA   PRO  23           HA       PRO  23  -3.055   4.717   6.178
  144   1HB   PRO  23          2HB       PRO  23  -4.698   4.391   4.000
  145   2HB   PRO  23          1HB       PRO  23  -4.215   5.977   4.628
  146   1HG   PRO  23          2HG       PRO  23  -3.270   4.560   2.180
  147   2HG   PRO  23          1HG       PRO  23  -3.331   6.298   2.518
  148   1HD   PRO  23          2HD       PRO  23  -1.022   4.668   2.636
  149   2HD   PRO  23          1HD       PRO  23  -1.181   6.315   3.280
  150    H    GLY  24           H        GLY  24  -4.994   2.937   5.356
  151   1HA   GLY  24          2HA       GLY  24  -3.531   0.364   5.453
  152   2HA   GLY  24          1HA       GLY  24  -5.255   0.583   5.764
  153    H    ALA  25           H        ALA  25  -3.810   2.114   3.002
  154    HA   ALA  25           HA       ALA  25  -5.634   0.980   1.150
  155   1HB   ALA  25          1HB       ALA  25  -4.228   1.968  -0.574
  156   2HB   ALA  25          2HB       ALA  25  -2.880   2.093   0.553
  157   3HB   ALA  25          3HB       ALA  25  -4.322   3.078   0.792
  158    H    GLN  26           H        GLN  26  -4.383  -0.082  -0.978
  159    HA   GLN  26           HA       GLN  26  -3.166  -2.573   0.127
  160   1HB   GLN  26          2HB       GLN  26  -5.301  -2.107  -1.716
  161   2HB   GLN  26          1HB       GLN  26  -4.001  -2.948  -2.562
  162   1HG   GLN  26          2HG       GLN  26  -5.335  -4.666  -1.587
  163   2HG   GLN  26          1HG       GLN  26  -3.915  -4.519  -0.551
  164   1HE2  GLN  26          1HE2      GLN  26  -6.995  -2.646  -0.769
  165   2HE2  GLN  26          2HE2      GLN  26  -7.363  -2.780   0.882
  166    H    CYS  27           H        CYS  27  -2.397   0.212  -1.551
  167    HA   CYS  27           HA       CYS  27   0.249  -0.694  -2.182
  168   1HB   CYS  27          2HB       CYS  27   0.022  -0.331  -4.695
  169   2HB   CYS  27          1HB       CYS  27  -0.710  -1.808  -4.074
  170    H    GLY  28           H        GLY  28   1.368   1.100  -3.617
  171   1HA   GLY  28          2HA       GLY  28   0.258   3.727  -2.716
  172   2HA   GLY  28          1HA       GLY  28   1.982   3.391  -2.856
  173    H    GLU  29           H        GLU  29   1.259   1.859  -5.453
  174    HA   GLU  29           HA       GLU  29   0.178   3.717  -7.325
  175   1HB   GLU  29          2HB       GLU  29   2.201   4.616  -8.348
  176   2HB   GLU  29          1HB       GLU  29   2.172   5.055  -6.639
  177   1HG   GLU  29          2HG       GLU  29   4.208   4.110  -6.445
  178   2HG   GLU  29          1HG       GLU  29   3.437   2.549  -6.726
  179    H    GLY  30           H        GLY  30  -0.085   2.669  -9.274
  180   1HA   GLY  30          2HA       GLY  30   1.697   0.770 -10.399
  181   2HA   GLY  30          1HA       GLY  30   0.480  -0.110  -9.477
  182    H    LEU  31           H        LEU  31   0.614  -0.424 -12.251
  183    HA   LEU  31           HA       LEU  31  -1.135   1.362 -13.677
  184   1HB   LEU  31          2HB       LEU  31   0.304  -1.074 -14.216
  185   2HB   LEU  31          1HB       LEU  31  -1.311  -1.150 -14.905
  186    HG   LEU  31           HG       LEU  31   0.562   1.197 -15.276
  187   1HD1  LEU  31          1HD1      LEU  31   1.639  -0.608 -16.385
  188   2HD1  LEU  31          2HD1      LEU  31   0.720   0.212 -17.647
  189   3HD1  LEU  31          3HD1      LEU  31   0.108  -1.284 -16.941
  190   1HD2  LEU  31          1HD2      LEU  31  -1.037   1.629 -17.192
  191   2HD2  LEU  31          2HD2      LEU  31  -1.762   1.789 -15.591
  192   3HD2  LEU  31          3HD2      LEU  31  -2.051   0.337 -16.550
  193    H    CYS  32           H        CYS  32  -1.663  -1.378 -11.594
  194    HA   CYS  32           HA       CYS  32  -4.585  -1.212 -12.205
  195   1HB   CYS  32          2HB       CYS  32  -3.583  -3.618 -10.794
  196   2HB   CYS  32          1HB       CYS  32  -4.780  -3.487 -12.079
  197    H    CYS  33           H        CYS  33  -3.455   0.601 -10.403
  198    HA   CYS  33           HA       CYS  33  -4.604  -0.409  -7.840
  199   1HB   CYS  33          2HB       CYS  33  -1.885   0.583  -8.358
  200   2HB   CYS  33          1HB       CYS  33  -2.688   1.389  -7.010
  201    H    GLU  34           H        GLU  34  -6.387   0.807  -7.527
  202    HA   GLU  34           HA       GLU  34  -6.659   3.469  -8.671
  203   1HB   GLU  34          2HB       GLU  34  -8.871   3.452  -7.634
  204   2HB   GLU  34          1HB       GLU  34  -8.578   1.900  -8.418
  205   1HG   GLU  34          2HG       GLU  34  -7.971   0.885  -6.289
  206   2HG   GLU  34          1HG       GLU  34  -8.113   2.444  -5.473
  207    H    GLN  35           H        GLN  35  -8.045   4.775  -6.588
  208    HA   GLN  35           HA       GLN  35  -5.931   6.108  -5.254
  209   1HB   GLN  35          2HB       GLN  35  -8.737   6.379  -5.470
  210   2HB   GLN  35          1HB       GLN  35  -8.375   6.320  -3.744
  211   1HG   GLN  35          2HG       GLN  35  -6.739   8.112  -3.982
  212   2HG   GLN  35          1HG       GLN  35  -6.961   8.124  -5.731
  213   1HE2  GLN  35          1HE2      GLN  35  -7.471  10.545  -4.728
  214   2HE2  GLN  35          2HE2      GLN  35  -9.131  10.843  -4.534
  215    H    CYS  36           H        CYS  36  -4.616   4.536  -4.193
  216    HA   CYS  36           HA       CYS  36  -3.916   3.306  -2.316
  217   1HB   CYS  36          2HB       CYS  36  -6.130   5.017  -1.328
  218   2HB   CYS  36          1HB       CYS  36  -5.709   3.636  -0.320
  219    H    LYS  37           H        LYS  37  -5.513   1.901  -4.268
  220    HA   LYS  37           HA       LYS  37  -6.381  -0.313  -2.569
  221   1HB   LYS  37          2HB       LYS  37  -8.337   1.510  -3.876
  222   2HB   LYS  37          1HB       LYS  37  -8.671  -0.219  -3.976
  223   1HG   LYS  37          2HG       LYS  37  -7.818   0.359  -1.312
  224   2HG   LYS  37          1HG       LYS  37  -9.069   1.524  -1.749
  225   1HD   LYS  37          2HD       LYS  37 -10.657  -0.160  -2.188
  226   2HD   LYS  37          1HD       LYS  37  -9.423  -1.413  -2.331
  227   1HE   LYS  37          2HE       LYS  37  -9.465  -1.826  -0.113
  228   2HE   LYS  37          1HE       LYS  37  -9.337  -0.111   0.274
  229   1HZ   LYS  37          1HZ       LYS  37 -11.767   0.012  -0.368
  230   2HZ   LYS  37          2HZ       LYS  37 -11.407  -0.778   1.092
  231   3HZ   LYS  37          3HZ       LYS  37 -11.778  -1.682  -0.299
  232    H    PHE  38           H        PHE  38  -6.919  -2.239  -3.867
  233    HA   PHE  38           HA       PHE  38  -5.373  -2.270  -6.379
  234   1HB   PHE  38          2HB       PHE  38  -6.595  -4.366  -4.598
  235   2HB   PHE  38          1HB       PHE  38  -6.113  -4.780  -6.241
  236    HD1  PHE  38           HD1      PHE  38  -4.984  -5.423  -3.240
  237    HD2  PHE  38           HD2      PHE  38  -3.719  -3.062  -6.596
  238    HE1  PHE  38           HE1      PHE  38  -2.627  -5.623  -2.492
  239    HE2  PHE  38           HE2      PHE  38  -1.362  -3.260  -5.848
  240    HZ   PHE  38           HZ       PHE  38  -0.817  -4.542  -3.797
  241    H    SER  39           H        SER  39  -6.462  -1.691  -8.217
  242    HA   SER  39           HA       SER  39  -9.248  -1.470  -8.510
  243   1HB   SER  39          2HB       SER  39  -8.385  -2.223 -11.043
  244   2HB   SER  39          1HB       SER  39  -8.410  -0.579 -10.412
  245    HG   SER  39           HG       SER  39  -6.315  -0.632 -10.266
  246    H    ARG  40           H        ARG  40 -10.390  -2.994 -10.339
  247    HA   ARG  40           HA       ARG  40 -10.381  -5.655  -9.107
  248   1HB   ARG  40          2HB       ARG  40 -12.352  -6.002 -10.714
  249   2HB   ARG  40          1HB       ARG  40 -12.572  -4.789  -9.451
  250   1HG   ARG  40          2HG       ARG  40 -12.403  -3.013 -10.936
  251   2HG   ARG  40          1HG       ARG  40 -11.425  -3.929 -12.083
  252   1HD   ARG  40          2HD       ARG  40 -13.315  -5.152 -12.872
  253   2HD   ARG  40          1HD       ARG  40 -14.316  -4.615 -11.523
  254    HE   ARG  40           HE       ARG  40 -13.921  -3.171 -13.980
  255   1HH1  ARG  40          1HH1      ARG  40 -12.590  -1.376 -11.969
  256   2HH1  ARG  40          2HH1      ARG  40 -13.914  -0.401 -11.427
  257   1HH2  ARG  40          1HH2      ARG  40 -16.341  -2.532 -12.686
  258   2HH2  ARG  40          2HH2      ARG  40 -16.038  -1.056 -11.834
  259    H    ALA  41           H        ALA  41 -10.012  -7.590 -10.319
  260    HA   ALA  41           HA       ALA  41  -7.894  -7.537 -12.183
  261   1HB   ALA  41          1HB       ALA  41 -10.027  -9.596 -11.596
  262   2HB   ALA  41          2HB       ALA  41  -8.328  -9.619 -11.122
  263   3HB   ALA  41          3HB       ALA  41  -8.778  -9.884 -12.808
  264    H    GLY  42           H        GLY  42  -8.546  -8.933 -14.446
  265   1HA   GLY  42          2HA       GLY  42  -9.252  -8.434 -16.641
  266   2HA   GLY  42          1HA       GLY  42 -10.830  -8.184 -15.889
  267    H    LYS  43           H        LYS  43  -8.109  -6.292 -14.848
  268    HA   LYS  43           HA       LYS  43  -9.460  -3.875 -15.847
  269   1HB   LYS  43          2HB       LYS  43  -8.847  -3.305 -13.729
  270   2HB   LYS  43          1HB       LYS  43  -7.587  -4.526 -13.665
  271   1HG   LYS  43          2HG       LYS  43  -5.967  -3.090 -14.455
  272   2HG   LYS  43          1HG       LYS  43  -7.106  -2.183 -15.448
  273   1HD   LYS  43          2HD       LYS  43  -8.039  -1.668 -12.916
  274   2HD   LYS  43          1HD       LYS  43  -6.297  -1.740 -12.655
  275   1HE   LYS  43          2HE       LYS  43  -5.871   0.050 -14.092
  276   2HE   LYS  43          1HE       LYS  43  -7.374  -0.180 -14.983
  277   1HZ   LYS  43          1HZ       LYS  43  -7.076   0.888 -12.232
  278   2HZ   LYS  43          2HZ       LYS  43  -8.570   0.511 -12.948
  279   3HZ   LYS  43          3HZ       LYS  43  -7.594   1.737 -13.606
  280    H    ILE  44           H        ILE  44  -8.667  -2.659 -17.530
  281    HA   ILE  44           HA       ILE  44  -6.565  -3.833 -19.157
  282    HB   ILE  44           HB       ILE  44  -8.373  -2.827 -20.325
  283   1HG1  ILE  44          2HG1      ILE  44  -7.238  -0.820 -21.470
  284   2HG1  ILE  44          1HG1      ILE  44  -5.880  -1.108 -20.385
  285   1HG2  ILE  44          1HG2      ILE  44  -9.441  -1.387 -18.873
  286   2HG2  ILE  44          2HG2      ILE  44  -8.618  -0.217 -19.906
  287   3HG2  ILE  44          3HG2      ILE  44  -7.935  -0.642 -18.336
  288   1HD1  ILE  44          1HD1      ILE  44  -5.152  -2.764 -21.722
  289   2HD1  ILE  44          2HD1      ILE  44  -6.498  -2.459 -22.819
  290   3HD1  ILE  44          3HD1      ILE  44  -6.679  -3.619 -21.503
  291    H    CYS  45           H        CYS  45  -4.468  -3.482 -18.906
  292    HA   CYS  45           HA       CYS  45  -3.560  -1.007 -17.488
  293   1HB   CYS  45          2HB       CYS  45  -1.402  -2.379 -17.227
  294   2HB   CYS  45          1HB       CYS  45  -2.792  -2.899 -16.279
  295    H    ARG  46           H        ARG  46  -3.562  -2.691 -20.488
  296    HA   ARG  46           HA       ARG  46  -2.332  -0.536 -21.899
  297   1HB   ARG  46          2HB       ARG  46  -0.521  -2.513 -20.746
  298   2HB   ARG  46          1HB       ARG  46  -0.367  -2.425 -22.501
  299   1HG   ARG  46          2HG       ARG  46   0.232  -0.159 -22.467
  300   2HG   ARG  46          1HG       ARG  46  -0.467   0.100 -20.868
  301   1HD   ARG  46          2HD       ARG  46   1.370  -0.749 -19.773
  302   2HD   ARG  46          1HD       ARG  46   1.747  -1.883 -21.069
  303    HE   ARG  46           HE       ARG  46   2.925  -0.124 -22.219
  304   1HH1  ARG  46          1HH2      ARG  46   0.956   2.037 -21.190
  305   2HH1  ARG  46          2HH2      ARG  46   2.031   3.000 -20.232
  306   1HH2  ARG  46          1HH1      ARG  46   4.536   0.605 -20.158
  307   2HH2  ARG  46          2HH1      ARG  46   4.057   2.189 -19.648
  308    H    ILE  47           H        ILE  47  -2.712  -0.796 -24.102
  309    HA   ILE  47           HA       ILE  47  -4.384  -3.032 -24.902
  310    HB   ILE  47           HB       ILE  47  -4.455  -1.948 -27.074
  311   1HG1  ILE  47          2HG1      ILE  47  -2.416   0.070 -26.158
  312   2HG1  ILE  47          1HG1      ILE  47  -1.888  -1.438 -26.903
  313   1HG2  ILE  47          1HG2      ILE  47  -5.510   0.022 -26.414
  314   2HG2  ILE  47          2HG2      ILE  47  -4.297   0.379 -25.186
  315   3HG2  ILE  47          3HG2      ILE  47  -5.496  -0.881 -24.901
  316   1HD1  ILE  47          1HD1      ILE  47  -3.945  -0.566 -28.565
  317   2HD1  ILE  47          2HD1      ILE  47  -2.218  -0.425 -28.893
  318   3HD1  ILE  47          3HD1      ILE  47  -3.086   0.916 -28.145
  319    H    ALA  48           H        ALA  48  -3.840  -4.642 -26.494
  320    HA   ALA  48           HA       ALA  48  -1.283  -5.820 -26.237
  321   1HB   ALA  48          1HB       ALA  48  -1.931  -7.076 -28.356
  322   2HB   ALA  48          2HB       ALA  48  -3.402  -6.102 -28.371
  323   3HB   ALA  48          3HB       ALA  48  -3.079  -7.192 -27.023
  324    H    LYS  49           H        LYS  49  -2.230  -5.051 -29.489
  325    HA   LYS  49           HA       LYS  49  -0.371  -2.898 -29.897
  326   1HB   LYS  49          2HB       LYS  49   0.564  -5.670 -30.258
  327   2HB   LYS  49          1HB       LYS  49   1.005  -4.529 -31.525
  328   1HG   LYS  49          2HG       LYS  49   1.438  -3.158 -29.113
  329   2HG   LYS  49          1HG       LYS  49   2.070  -4.783 -28.838
  330   1HD   LYS  49          2HD       LYS  49   3.795  -4.474 -30.275
  331   2HD   LYS  49          1HD       LYS  49   2.764  -3.695 -31.477
  332   1HE   LYS  49          2HE       LYS  49   3.112  -2.046 -29.092
  333   2HE   LYS  49          1HE       LYS  49   4.648  -2.418 -29.874
  334   1HZ   LYS  49          1HZ       LYS  49   4.157  -1.099 -31.574
  335   2HZ   LYS  49          2HZ       LYS  49   2.861  -0.505 -30.649
  336   3HZ   LYS  49          3HZ       LYS  49   2.608  -1.765 -31.761
  337    H    GLY  50           H        GLY  50  -0.504  -5.375 -32.301
  338   1HA   GLY  50          2HA       GLY  50  -1.751  -3.672 -34.221
  339   2HA   GLY  50          1HA       GLY  50  -1.520  -5.407 -34.412
  340    H    ASP  51           H        ASP  51  -3.068  -6.714 -32.872
  341    HA   ASP  51           HA       ASP  51  -5.553  -5.642 -32.033
  342   1HB   ASP  51          2HB       ASP  51  -5.331  -5.833 -34.855
  343   2HB   ASP  51          1HB       ASP  51  -6.421  -7.113 -34.327
  344    H    TRP  52           H        TRP  52  -5.834  -7.146 -30.452
  345    HA   TRP  52           HA       TRP  52  -6.671  -9.780 -30.892
  346   1HB   TRP  52          2HB       TRP  52  -4.368 -10.833 -29.985
  347   2HB   TRP  52          1HB       TRP  52  -4.704 -10.667 -31.708
  348    HD1  TRP  52           HD1      TRP  52  -3.732  -7.819 -29.323
  349    HE1  TRP  52           HE1      TRP  52  -1.547  -6.750 -30.171
  350    HE3  TRP  52           HE3      TRP  52  -2.646 -10.985 -33.166
  351    HZ2  TRP  52           HZ2      TRP  52   0.406  -7.183 -32.220
  352    HZ3  TRP  52           HZ3      TRP  52  -0.623 -10.637 -34.555
  353    HH2  TRP  52           HH2      TRP  52   0.905  -8.739 -34.086
  354    H    ASN  53           H        ASN  53  -7.887  -8.724 -29.115
  355    HA   ASN  53           HA       ASN  53  -8.424  -8.547 -26.839
  356   1HB   ASN  53          2HB       ASN  53  -6.158 -10.538 -26.788
  357   2HB   ASN  53          1HB       ASN  53  -6.902  -9.971 -25.292
  358   1HD2  ASN  53          1HD2      ASN  53  -8.501 -11.394 -24.607
  359   2HD2  ASN  53          2HD2      ASN  53  -9.549 -12.253 -25.630
  360    H    ASP  54           H        ASP  54  -7.151  -8.036 -24.595
  361    HA   ASP  54           HA       ASP  54  -4.912  -6.168 -25.203
  362   1HB   ASP  54          2HB       ASP  54  -6.218  -4.740 -23.309
  363   2HB   ASP  54          1HB       ASP  54  -6.463  -4.491 -25.037
  364    H    ASP  55           H        ASP  55  -4.367  -5.186 -22.763
  365    HA   ASP  55           HA       ASP  55  -3.548  -7.594 -21.278
  366   1HB   ASP  55          2HB       ASP  55  -2.894  -4.699 -20.796
  367   2HB   ASP  55          1HB       ASP  55  -2.113  -6.070 -20.020
  368    H    ARG  56           H        ARG  56  -4.291  -8.110 -19.224
  369    HA   ARG  56           HA       ARG  56  -6.375  -6.317 -18.053
  370   1HB   ARG  56          2HB       ARG  56  -6.278  -9.322 -18.044
  371   2HB   ARG  56          1HB       ARG  56  -7.500  -8.344 -17.243
  372   1HG   ARG  56          2HG       ARG  56  -6.968  -7.943 -20.171
  373   2HG   ARG  56          1HG       ARG  56  -7.976  -9.293 -19.649
  374   1HD   ARG  56          2HD       ARG  56  -9.469  -7.767 -18.460
  375   2HD   ARG  56          1HD       ARG  56  -8.434  -6.399 -18.873
  376    HE   ARG  56           HE       ARG  56  -9.091  -7.508 -21.328
  377   1HH1  ARG  56          1HH2      ARG  56 -11.475  -7.962 -19.193
  378   2HH1  ARG  56          2HH2      ARG  56 -12.569  -6.766 -19.801
  379   1HH2  ARG  56          1HH1      ARG  56 -10.211  -5.271 -21.858
  380   2HH2  ARG  56          2HH1      ARG  56 -11.854  -5.242 -21.310
  381    H    CYS  57           H        CYS  57  -6.479  -6.393 -15.697
  382    HA   CYS  57           HA       CYS  57  -3.852  -7.160 -14.514
  383   1HB   CYS  57          2HB       CYS  57  -5.852  -5.013 -13.828
  384   2HB   CYS  57          1HB       CYS  57  -4.655  -5.549 -12.654
  385    H    THR  58           H        THR  58  -4.017  -7.898 -12.206
  386    HA   THR  58           HA       THR  58  -6.209  -9.856 -11.968
  387    HB   THR  58           HB       THR  58  -4.890 -10.891 -10.290
  388    HG1  THR  58           HG1      THR  58  -3.665  -9.785  -8.975
  389   1HG2  THR  58          1HG2      THR  58  -3.247  -9.641 -12.475
  390   2HG2  THR  58          2HG2      THR  58  -3.742 -11.322 -12.284
  391   3HG2  THR  58          3HG2      THR  58  -2.473 -10.654 -11.258
  392    H    GLY  59           H        GLY  59  -6.872 -10.082  -9.437
  393   1HA   GLY  59          2HA       GLY  59  -8.068  -7.449  -8.782
  394   2HA   GLY  59          1HA       GLY  59  -8.574  -9.001  -8.117
  395    H    GLN  60           H        GLN  60  -5.176  -8.423  -8.235
  396    HA   GLN  60           HA       GLN  60  -5.010  -7.216  -5.572
  397   1HB   GLN  60          2HB       GLN  60  -3.613  -9.293  -4.800
  398   2HB   GLN  60          1HB       GLN  60  -5.374  -9.360  -4.703
  399   1HG   GLN  60          2HG       GLN  60  -5.355 -10.405  -7.016
  400   2HG   GLN  60          1HG       GLN  60  -3.604 -10.546  -6.855
  401   1HE2  GLN  60          1HE2      GLN  60  -5.147 -12.899  -7.090
  402   2HE2  GLN  60          2HE2      GLN  60  -5.142 -13.724  -5.606
  403    H    SER  61           H        SER  61  -3.930  -7.065  -8.474
  404    HA   SER  61           HA       SER  61  -1.025  -7.079  -7.757
  405   1HB   SER  61          2HB       SER  61  -1.771  -8.535  -9.690
  406   2HB   SER  61          1HB       SER  61  -2.225  -7.060 -10.539
  407    HG   SER  61           HG       SER  61   0.147  -8.172 -10.412
  408    H    ALA  62           H        ALA  62   0.207  -5.204  -8.241
  409    HA   ALA  62           HA       ALA  62  -1.441  -2.758  -8.670
  410   1HB   ALA  62          1HB       ALA  62   0.315  -3.257  -6.676
  411   2HB   ALA  62          2HB       ALA  62   0.000  -1.633  -7.288
  412   3HB   ALA  62          3HB       ALA  62   1.408  -2.533  -7.855
  413    H    ASP  63           H        ASP  63   1.049  -4.712 -10.093
  414    HA   ASP  63           HA       ASP  63   1.553  -2.572 -12.114
  415   1HB   ASP  63          2HB       ASP  63   3.233  -5.016 -11.965
  416   2HB   ASP  63          1HB       ASP  63   3.687  -3.382 -12.425
  417    H    CYS  64           H        CYS  64   1.988  -3.519 -14.366
  418    HA   CYS  64           HA       CYS  64   0.012  -5.703 -14.883
  419   1HB   CYS  64          2HB       CYS  64  -0.761  -3.612 -15.840
  420   2HB   CYS  64          1HB       CYS  64   0.805  -3.336 -16.600
  421    HA   PRO  65           HA       PRO  65   3.485  -7.900 -16.399
  422   1HB   PRO  65          2HB       PRO  65   2.028 -10.038 -17.289
  423   2HB   PRO  65          1HB       PRO  65   2.447  -9.794 -15.595
  424   1HG   PRO  65          2HG       PRO  65  -0.169  -9.462 -16.968
  425   2HG   PRO  65          1HG       PRO  65   0.167  -9.784 -15.258
  426   1HD   PRO  65          2HD       PRO  65  -0.544  -7.282 -16.381
  427   2HD   PRO  65          1HD       PRO  65   0.078  -7.564 -14.741
  428    H    ARG  66           H        ARG  66   3.714  -9.341 -18.627
  429    HA   ARG  66           HA       ARG  66   2.328  -8.038 -20.860
  430   1HB   ARG  66          2HB       ARG  66   4.282  -7.200 -21.933
  431   2HB   ARG  66          1HB       ARG  66   4.413  -6.670 -20.257
  432   1HG   ARG  66          2HG       ARG  66   5.734  -8.870 -19.880
  433   2HG   ARG  66          1HG       ARG  66   5.887  -8.911 -21.637
  434   1HD   ARG  66          2HD       ARG  66   7.065  -6.986 -19.675
  435   2HD   ARG  66          1HD       ARG  66   7.790  -7.705 -21.112
  436    HE   ARG  66           HE       ARG  66   5.833  -5.445 -21.175
  437   1HH1  ARG  66          1HH1      ARG  66   8.974  -6.277 -21.872
  438   2HH1  ARG  66          2HH1      ARG  66   8.955  -5.741 -23.519
  439   1HH2  ARG  66          1HH2      ARG  66   5.529  -5.205 -23.582
  440   2HH2  ARG  66          2HH2      ARG  66   7.004  -5.133 -24.488
  441    H    TYR  67           H        TYR  67   3.334  -9.055 -23.011
  442    HA   TYR  67           HA       TYR  67   4.567 -11.624 -22.867
  443   1HB   TYR  67          2HB       TYR  67   2.641 -13.069 -23.318
  444   2HB   TYR  67          1HB       TYR  67   2.407 -12.228 -21.785
  445    HD1  TYR  67           HD1      TYR  67   1.209 -12.659 -25.201
  446    HD2  TYR  67           HD2      TYR  67   0.897 -10.236 -21.668
  447    HE1  TYR  67           HE1      TYR  67  -0.902 -11.680 -26.057
  448    HE2  TYR  67           HE2      TYR  67  -1.213  -9.256 -22.525
  449    HH   TYR  67           HH       TYR  67  -2.668 -10.400 -25.561
  450    H    HIS  68           HN       HIS  68   2.301  -9.528 -24.604
  451    HA   HIS  68           HA       HIS  68   3.194 -10.646 -27.195
  452   1HB   HIS  68          2HB       HIS  68   0.842  -9.310 -26.246
  453   2HB   HIS  68          1HB       HIS  68   1.541  -8.352 -27.550
  454    HD1  HIS  68           HD1      HIS  68   2.779 -10.894 -29.057
  455    HD2  HIS  68           HD2      HIS  68  -1.192 -10.437 -27.876
  456    HE1  HIS  68           HE1      HIS  68   1.411 -12.425 -30.538
  Start of MODEL   11
    1   1H    GLY   1          1HT       GLY   1   9.914  -5.295  -6.666
    2   2H    GLY   1          2HT       GLY   1   8.280  -5.079  -6.253
    3   3H    GLY   1          3HT       GLY   1   9.326  -5.898  -5.194
    4   1HA   GLY   1          1HA       GLY   1   9.917  -3.121  -5.965
    5   2HA   GLY   1          2HA       GLY   1   8.720  -3.449  -4.712
    6    H    LYS   2           H        LYS   2  11.349  -2.186  -4.380
    7    HA   LYS   2           HA       LYS   2  12.991  -4.203  -3.007
    8   1HB   LYS   2          2HB       LYS   2  13.314  -1.221  -3.383
    9   2HB   LYS   2          1HB       LYS   2  14.472  -2.234  -2.518
   10   1HG   LYS   2          2HG       LYS   2  14.825  -3.596  -4.525
   11   2HG   LYS   2          1HG       LYS   2  13.619  -2.651  -5.399
   12   1HD   LYS   2          2HD       LYS   2  15.300  -0.692  -4.435
   13   2HD   LYS   2          1HD       LYS   2  16.423  -2.004  -4.793
   14   1HE   LYS   2          2HE       LYS   2  16.033  -1.904  -7.049
   15   2HE   LYS   2          1HE       LYS   2  14.337  -1.465  -6.841
   16   1HZ   LYS   2          1HZ       LYS   2  14.827   0.733  -6.650
   17   2HZ   LYS   2          2HZ       LYS   2  16.099   0.266  -7.675
   18   3HZ   LYS   2          3HZ       LYS   2  16.374   0.464  -6.010
   19    H    GLU   3           H        GLU   3  12.207  -0.993  -1.840
   20    HA   GLU   3           HA       GLU   3  10.738  -2.066   0.471
   21   1HB   GLU   3          2HB       GLU   3  12.265  -1.097   2.133
   22   2HB   GLU   3          1HB       GLU   3  13.127  -2.276   1.141
   23   1HG   GLU   3          2HG       GLU   3  13.627  -0.141  -0.357
   24   2HG   GLU   3          1HG       GLU   3  13.352   0.709   1.164
   25    H    CYS   4           H        CYS   4  10.175  -0.291  -1.740
   26    HA   CYS   4           HA       CYS   4   9.248   2.040  -0.178
   27   1HB   CYS   4          2HB       CYS   4  11.432   2.574  -1.403
   28   2HB   CYS   4          1HB       CYS   4  10.485   2.430  -2.864
   29    H    ASP   5           H        ASP   5   7.393   0.506  -0.454
   30    HA   ASP   5           HA       ASP   5   6.072  -0.343  -2.646
   31   1HB   ASP   5          2HB       ASP   5   5.291  -0.083  -0.136
   32   2HB   ASP   5          1HB       ASP   5   4.434   1.320  -0.776
   33    H    CYS   6           H        CYS   6   6.488   3.096  -1.861
   34    HA   CYS   6           HA       CYS   6   5.155   3.660  -4.487
   35   1HB   CYS   6          2HB       CYS   6   4.021   5.526  -3.623
   36   2HB   CYS   6          1HB       CYS   6   3.890   4.350  -2.322
   37    H    SER   7           H        SER   7   5.824   6.068  -5.175
   38    HA   SER   7           HA       SER   7   8.779   6.257  -4.756
   39   1HB   SER   7          2HB       SER   7   9.094   6.486  -7.000
   40   2HB   SER   7          1HB       SER   7   7.507   5.732  -7.128
   41    HG   SER   7           HG       SER   7   6.735   7.564  -7.799
   42    H    SER   8           H        SER   8   5.742   8.033  -5.116
   43    HA   SER   8           HA       SER   8   7.015  10.636  -4.822
   44   1HB   SER   8          2HB       SER   8   4.428   9.654  -5.499
   45   2HB   SER   8          1HB       SER   8   4.256  10.767  -4.147
   46    HG   SER   8           HG       SER   8   5.920  11.415  -6.319
   47    HA   PRO   9           HA       PRO   9   7.169  10.322  -0.387
   48   1HB   PRO   9          2HB       PRO   9   8.195  12.837   0.030
   49   2HB   PRO   9          1HB       PRO   9   9.173  11.459  -0.504
   50   1HG   PRO   9          2HG       PRO   9   8.215  13.802  -2.079
   51   2HG   PRO   9          1HG       PRO   9   9.636  12.776  -2.346
   52   1HD   PRO   9          2HD       PRO   9   7.183  12.622  -3.758
   53   2HD   PRO   9          1HD       PRO   9   8.486  11.415  -3.788
   54    H    GLU  10           H        GLU  10   5.023  12.075  -2.216
   55    HA   GLU  10           HA       GLU  10   3.739  13.253   0.220
   56   1HB   GLU  10          2HB       GLU  10   3.305  14.298  -2.578
   57   2HB   GLU  10          1HB       GLU  10   2.990  15.108  -1.042
   58   1HG   GLU  10          2HG       GLU  10   5.698  14.522  -0.904
   59   2HG   GLU  10          1HG       GLU  10   5.468  14.972  -2.594
   60    H    ASN  11           H        ASN  11   3.466  10.587  -1.268
   61    HA   ASN  11           HA       ASN  11   0.710  10.762  -2.265
   62   1HB   ASN  11          2HB       ASN  11   2.835   9.223  -3.022
   63   2HB   ASN  11          1HB       ASN  11   1.959   8.104  -1.978
   64   1HD2  ASN  11          1HD2      ASN  11   1.164   6.786  -3.744
   65   2HD2  ASN  11          2HD2      ASN  11   0.005   7.363  -4.843
   66    HA   PRO  12           HA       PRO  12  -0.914   9.503   1.661
   67   1HB   PRO  12          2HB       PRO  12  -3.482   9.033   0.804
   68   2HB   PRO  12          1HB       PRO  12  -2.824  10.658   1.066
   69   1HG   PRO  12          2HG       PRO  12  -3.370   9.249  -1.502
   70   2HG   PRO  12          1HG       PRO  12  -3.311  10.986  -1.168
   71   1HD   PRO  12          2HD       PRO  12  -1.268   9.451  -2.402
   72   2HD   PRO  12          1HD       PRO  12  -1.113  11.115  -1.801
   73    H    CYS  13           H        CYS  13  -0.970   7.546  -1.213
   74    HA   CYS  13           HA       CYS  13  -2.032   5.145   0.087
   75   1HB   CYS  13          2HB       CYS  13  -0.620   5.510  -2.570
   76   2HB   CYS  13          1HB       CYS  13  -1.446   4.045  -2.048
   77    H    CYS  14           H        CYS  14   0.737   6.664   0.735
   78    HA   CYS  14           HA       CYS  14   2.009   4.155   1.530
   79   1HB   CYS  14          2HB       CYS  14   3.980   4.291   0.246
   80   2HB   CYS  14          1HB       CYS  14   2.691   4.617  -0.908
   81    H    ASP  15           H        ASP  15   4.589   5.261   1.870
   82    HA   ASP  15           HA       ASP  15   4.196   7.560   3.696
   83   1HB   ASP  15          2HB       ASP  15   4.057   5.141   4.779
   84   2HB   ASP  15          1HB       ASP  15   5.805   5.258   4.660
   85    H    ALA  16           H        ALA  16   5.869   8.984   3.418
   86    HA   ALA  16           HA       ALA  16   8.155   8.140   1.782
   87   1HB   ALA  16          1HB       ALA  16   8.300  10.314   1.150
   88   2HB   ALA  16          2HB       ALA  16   8.130  10.897   2.805
   89   3HB   ALA  16          3HB       ALA  16   6.699  10.465   1.872
   90    H    ALA  17           H        ALA  17   7.517   7.895   4.960
   91    HA   ALA  17           HA       ALA  17  10.223   8.787   5.845
   92   1HB   ALA  17          1HB       ALA  17   9.392   8.747   8.071
   93   2HB   ALA  17          2HB       ALA  17   8.021   7.731   7.627
   94   3HB   ALA  17          3HB       ALA  17   8.068   9.420   7.121
   95    H    THR  18           H        THR  18   8.333   6.039   5.066
   96    HA   THR  18           HA       THR  18  10.542   4.267   5.983
   97    HB   THR  18           HB       THR  18   7.699   4.226   6.692
   98    HG1  THR  18           HG1      THR  18   8.610   2.945   8.381
   99   1HG2  THR  18          1HG2      THR  18   7.481   1.773   6.686
  100   2HG2  THR  18          2HG2      THR  18   9.035   1.638   5.861
  101   3HG2  THR  18          3HG2      THR  18   7.667   2.395   5.047
  102    H    CYS  19           H        CYS  19   8.955   5.508   3.398
  103    HA   CYS  19           HA       CYS  19   8.570   4.789   1.198
  104   1HB   CYS  19          2HB       CYS  19  11.165   3.860   2.055
  105   2HB   CYS  19          1HB       CYS  19  10.498   2.808   0.836
  106    H    LYS  20           H        LYS  20   6.538   3.776   1.820
  107    HA   LYS  20           HA       LYS  20   6.281   1.111   0.876
  108   1HB   LYS  20          2HB       LYS  20   6.779   1.389   3.784
  109   2HB   LYS  20          1HB       LYS  20   5.450   0.327   3.320
  110   1HG   LYS  20          2HG       LYS  20   7.601  -0.222   1.548
  111   2HG   LYS  20          1HG       LYS  20   8.270  -0.193   3.180
  112   1HD   LYS  20          2HD       LYS  20   7.439  -2.267   3.471
  113   2HD   LYS  20          1HD       LYS  20   5.824  -1.557   3.418
  114   1HE   LYS  20          2HE       LYS  20   5.672  -1.895   1.037
  115   2HE   LYS  20          1HE       LYS  20   7.368  -2.369   0.942
  116   1HZ   LYS  20          1HZ       LYS  20   6.629  -4.437   1.186
  117   2HZ   LYS  20          2HZ       LYS  20   5.077  -3.929   1.658
  118   3HZ   LYS  20          3HZ       LYS  20   6.323  -4.048   2.808
  119    H    LEU  21           H        LEU  21   4.012   0.245   1.332
  120    HA   LEU  21           HA       LEU  21   2.104   2.356   0.876
  121   1HB   LEU  21          2HB       LEU  21   1.989  -0.592   1.239
  122   2HB   LEU  21          1HB       LEU  21   0.511   0.309   1.564
  123    HG   LEU  21           HG       LEU  21   2.046   0.858  -0.962
  124   1HD1  LEU  21          1HD1      LEU  21  -0.153  -1.180  -0.891
  125   2HD1  LEU  21          2HD1      LEU  21   1.505  -1.678  -0.558
  126   3HD1  LEU  21          3HD1      LEU  21   1.100  -0.940  -2.108
  127   1HD2  LEU  21          1HD2      LEU  21  -0.313   1.801   0.226
  128   2HD2  LEU  21          2HD2      LEU  21  -0.846   0.744  -1.080
  129   3HD2  LEU  21          3HD2      LEU  21   0.227   2.099  -1.425
  130    H    ARG  22           H        ARG  22   0.209   2.740   2.187
  131    HA   ARG  22           HA       ARG  22   0.850   2.718   5.084
  132   1HB   ARG  22          2HB       ARG  22   0.160   4.892   4.464
  133   2HB   ARG  22          1HB       ARG  22  -1.060   4.284   3.346
  134   1HG   ARG  22          2HG       ARG  22  -2.631   4.145   4.970
  135   2HG   ARG  22          1HG       ARG  22  -1.508   3.405   6.108
  136   1HD   ARG  22          2HD       ARG  22  -1.161   5.372   7.150
  137   2HD   ARG  22          1HD       ARG  22  -0.808   6.180   5.622
  138    HE   ARG  22           HE       ARG  22  -3.340   6.384   5.367
  139   1HH1  ARG  22          1HH2      ARG  22  -3.411   4.745   8.090
  140   2HH1  ARG  22          2HH2      ARG  22  -3.975   6.000   9.141
  141   1HH2  ARG  22          1HH1      ARG  22  -3.386   8.542   6.856
  142   2HH2  ARG  22          2HH1      ARG  22  -3.963   8.151   8.442
  143    HA   PRO  23           HA       PRO  23  -1.775  -0.811   5.535
  144   1HB   PRO  23          2HB       PRO  23  -2.371  -0.439   8.216
  145   2HB   PRO  23          1HB       PRO  23  -0.867  -1.159   7.611
  146   1HG   PRO  23          2HG       PRO  23  -1.357   1.651   8.579
  147   2HG   PRO  23          1HG       PRO  23   0.078   0.628   8.787
  148   1HD   PRO  23          2HD       PRO  23  -0.023   2.623   6.893
  149   2HD   PRO  23          1HD       PRO  23   0.922   1.141   6.676
  150    H    GLY  24           H        GLY  24  -3.357   0.171   4.124
  151   1HA   GLY  24          2HA       GLY  24  -5.974   0.341   5.183
  152   2HA   GLY  24          1HA       GLY  24  -5.397   1.990   4.910
  153    H    ALA  25           H        ALA  25  -3.711   1.399   2.708
  154    HA   ALA  25           HA       ALA  25  -5.722   1.006   0.583
  155   1HB   ALA  25          1HB       ALA  25  -2.873   1.854   0.134
  156   2HB   ALA  25          2HB       ALA  25  -4.046   3.011   0.761
  157   3HB   ALA  25          3HB       ALA  25  -4.303   2.256  -0.809
  158    H    GLN  26           H        GLN  26  -4.482  -0.096  -1.507
  159    HA   GLN  26           HA       GLN  26  -3.002  -2.438  -0.411
  160   1HB   GLN  26          2HB       GLN  26  -5.482  -2.299  -1.948
  161   2HB   GLN  26          1HB       GLN  26  -4.298  -3.415  -2.620
  162   1HG   GLN  26          2HG       GLN  26  -4.538  -4.864  -0.878
  163   2HG   GLN  26          1HG       GLN  26  -4.510  -3.553   0.297
  164   1HE2  GLN  26          1HE2      GLN  26  -6.495  -5.970  -0.521
  165   2HE2  GLN  26          2HE2      GLN  26  -8.008  -5.221  -0.356
  166    H    CYS  27           H        CYS  27  -2.407   0.186  -1.926
  167    HA   CYS  27           HA       CYS  27  -0.218  -0.768  -3.459
  168   1HB   CYS  27          2HB       CYS  27  -1.066  -0.396  -5.732
  169   2HB   CYS  27          1HB       CYS  27  -2.047  -1.615  -4.903
  170    H    GLY  28           H        GLY  28   1.131   0.996  -3.863
  171   1HA   GLY  28          2HA       GLY  28   0.057   3.638  -3.061
  172   2HA   GLY  28          1HA       GLY  28   1.764   3.222  -3.204
  173    H    GLU  29           H        GLU  29   1.254   1.900  -5.833
  174    HA   GLU  29           HA       GLU  29   0.140   3.734  -7.690
  175   1HB   GLU  29          2HB       GLU  29   2.264   4.722  -8.564
  176   2HB   GLU  29          1HB       GLU  29   1.850   5.288  -6.949
  177   1HG   GLU  29          2HG       GLU  29   3.911   4.630  -6.307
  178   2HG   GLU  29          1HG       GLU  29   3.353   2.969  -6.516
  179    H    GLY  30           H        GLY  30   0.108   2.755  -9.698
  180   1HA   GLY  30          2HA       GLY  30   2.132   1.061 -10.745
  181   2HA   GLY  30          1HA       GLY  30   0.920   0.047  -9.964
  182    H    LEU  31           H        LEU  31   0.894  -0.553 -12.450
  183    HA   LEU  31           HA       LEU  31  -0.511   1.256 -14.213
  184   1HB   LEU  31          2HB       LEU  31   0.627  -1.401 -14.333
  185   2HB   LEU  31          1HB       LEU  31  -0.897  -1.309 -15.202
  186    HG   LEU  31           HG       LEU  31   1.198  -0.732 -16.544
  187   1HD1  LEU  31          1HD1      LEU  31  -0.177   1.713 -16.944
  188   2HD1  LEU  31          2HD1      LEU  31  -1.386   0.541 -16.420
  189   3HD1  LEU  31          3HD1      LEU  31  -0.388   0.207 -17.835
  190   1HD2  LEU  31          1HD2      LEU  31   2.451   1.129 -16.044
  191   2HD2  LEU  31          2HD2      LEU  31   1.906   0.753 -14.410
  192   3HD2  LEU  31          3HD2      LEU  31   1.080   1.996 -15.350
  193    H    CYS  32           H        CYS  32  -1.541  -0.522 -11.565
  194    HA   CYS  32           HA       CYS  32  -4.360  -0.234 -12.427
  195   1HB   CYS  32          2HB       CYS  32  -3.529  -2.828 -11.151
  196   2HB   CYS  32          1HB       CYS  32  -4.951  -2.481 -12.135
  197    H    CYS  33           H        CYS  33  -3.041   1.353 -10.550
  198    HA   CYS  33           HA       CYS  33  -4.121   0.295  -7.973
  199   1HB   CYS  33          2HB       CYS  33  -1.715   0.557  -7.828
  200   2HB   CYS  33          1HB       CYS  33  -1.819   2.205  -8.451
  201    H    GLU  34           H        GLU  34  -6.022   1.261  -7.554
  202    HA   GLU  34           HA       GLU  34  -6.721   3.866  -8.658
  203   1HB   GLU  34          2HB       GLU  34  -8.200   1.718  -8.028
  204   2HB   GLU  34          1HB       GLU  34  -8.353   2.620  -6.525
  205   1HG   GLU  34          2HG       GLU  34  -9.683   4.189  -7.463
  206   2HG   GLU  34          1HG       GLU  34  -8.673   4.296  -8.906
  207    H    GLN  35           H        GLN  35  -8.129   5.074  -6.602
  208    HA   GLN  35           HA       GLN  35  -6.109   6.478  -5.191
  209   1HB   GLN  35          2HB       GLN  35  -8.070   7.233  -3.729
  210   2HB   GLN  35          1HB       GLN  35  -8.230   7.543  -5.457
  211   1HG   GLN  35          2HG       GLN  35  -9.831   5.894  -5.748
  212   2HG   GLN  35          1HG       GLN  35  -9.248   4.942  -4.382
  213   1HE2  GLN  35          1HE2      GLN  35  -9.367   6.539  -2.212
  214   2HE2  GLN  35          2HE2      GLN  35 -10.912   7.207  -1.989
  215    H    CYS  36           H        CYS  36  -4.762   4.890  -4.173
  216    HA   CYS  36           HA       CYS  36  -4.076   3.507  -2.410
  217   1HB   CYS  36          2HB       CYS  36  -6.377   4.984  -1.120
  218   2HB   CYS  36          1HB       CYS  36  -5.302   3.912  -0.233
  219    H    LYS  37           H        LYS  37  -5.756   2.291  -4.325
  220    HA   LYS  37           HA       LYS  37  -6.689   0.000  -2.802
  221   1HB   LYS  37          2HB       LYS  37  -8.575   2.066  -3.442
  222   2HB   LYS  37          1HB       LYS  37  -8.938   0.657  -4.442
  223   1HG   LYS  37          2HG       LYS  37  -9.315  -0.724  -2.593
  224   2HG   LYS  37          1HG       LYS  37  -8.364   0.295  -1.513
  225   1HD   LYS  37          2HD       LYS  37 -10.102   2.066  -1.693
  226   2HD   LYS  37          1HD       LYS  37 -11.069   0.985  -2.699
  227   1HE   LYS  37          2HE       LYS  37 -10.119  -0.088  -0.085
  228   2HE   LYS  37          1HE       LYS  37 -11.401   1.123  -0.040
  229   1HZ   LYS  37          1HZ       LYS  37 -12.830  -0.441  -0.616
  230   2HZ   LYS  37          2HZ       LYS  37 -11.588  -1.595  -0.714
  231   3HZ   LYS  37          3HZ       LYS  37 -12.005  -0.674  -2.079
  232    H    PHE  38           H        PHE  38  -5.381  -1.296  -4.114
  233    HA   PHE  38           HA       PHE  38  -5.024  -0.882  -6.894
  234   1HB   PHE  38          2HB       PHE  38  -4.266  -3.268  -6.937
  235   2HB   PHE  38          1HB       PHE  38  -3.444  -2.252  -5.791
  236    HD1  PHE  38           HD1      PHE  38  -2.882  -4.730  -5.081
  237    HD2  PHE  38           HD2      PHE  38  -6.699  -2.840  -4.533
  238    HE1  PHE  38           HE1      PHE  38  -3.423  -6.345  -3.300
  239    HE2  PHE  38           HE2      PHE  38  -7.242  -4.456  -2.756
  240    HZ   PHE  38           HZ       PHE  38  -5.612  -6.221  -2.133
  241    H    SER  39           H        SER  39  -6.481  -0.983  -8.460
  242    HA   SER  39           HA       SER  39  -9.110  -1.776  -8.362
  243   1HB   SER  39          2HB       SER  39  -8.352  -2.605 -10.908
  244   2HB   SER  39          1HB       SER  39  -8.847  -0.976 -10.456
  245    HG   SER  39           HG       SER  39  -6.747  -0.399 -10.234
  246    H    ARG  40           H        ARG  40 -10.156  -3.747  -9.381
  247    HA   ARG  40           HA       ARG  40  -9.028  -6.148  -8.181
  248   1HB   ARG  40          2HB       ARG  40 -11.608  -5.252  -8.854
  249   2HB   ARG  40          1HB       ARG  40 -11.297  -6.647  -9.885
  250   1HG   ARG  40          2HG       ARG  40 -12.070  -7.750  -8.012
  251   2HG   ARG  40          1HG       ARG  40 -10.359  -7.658  -7.597
  252   1HD   ARG  40          2HD       ARG  40 -11.685  -6.910  -5.690
  253   2HD   ARG  40          1HD       ARG  40 -10.811  -5.535  -6.365
  254    HE   ARG  40           HE       ARG  40 -13.429  -5.742  -7.552
  255   1HH1  ARG  40          1HH2      ARG  40 -11.776  -3.395  -6.256
  256   2HH1  ARG  40          2HH2      ARG  40 -12.920  -2.871  -5.066
  257   1HH2  ARG  40          1HH1      ARG  40 -14.899  -5.705  -5.332
  258   2HH2  ARG  40          2HH1      ARG  40 -14.687  -4.178  -4.541
  259    H    ALA  41           H        ALA  41 -10.052  -7.983 -10.219
  260    HA   ALA  41           HA       ALA  41  -7.737  -7.849 -12.029
  261   1HB   ALA  41          1HB       ALA  41  -9.858  -9.954 -12.253
  262   2HB   ALA  41          2HB       ALA  41  -8.806  -9.964 -10.838
  263   3HB   ALA  41          3HB       ALA  41  -8.113 -10.103 -12.453
  264    H    GLY  42           H        GLY  42  -8.315  -8.575 -14.406
  265   1HA   GLY  42          2HA       GLY  42  -9.409  -8.074 -16.420
  266   2HA   GLY  42          1HA       GLY  42 -10.835  -7.672 -15.469
  267    H    LYS  43           H        LYS  43  -7.948  -6.056 -14.504
  268    HA   LYS  43           HA       LYS  43  -9.098  -3.508 -15.401
  269   1HB   LYS  43          2HB       LYS  43  -8.145  -3.379 -13.240
  270   2HB   LYS  43          1HB       LYS  43  -6.704  -4.265 -13.732
  271   1HG   LYS  43          2HG       LYS  43  -6.002  -1.995 -13.590
  272   2HG   LYS  43          1HG       LYS  43  -6.227  -2.278 -15.310
  273   1HD   LYS  43          2HD       LYS  43  -8.390  -1.207 -15.282
  274   2HD   LYS  43          1HD       LYS  43  -8.367  -1.103 -13.521
  275   1HE   LYS  43          2HE       LYS  43  -6.097   0.139 -15.016
  276   2HE   LYS  43          1HE       LYS  43  -7.651   0.972 -15.038
  277   1HZ   LYS  43          1HZ       LYS  43  -6.341   0.035 -12.551
  278   2HZ   LYS  43          2HZ       LYS  43  -7.680   1.070 -12.688
  279   3HZ   LYS  43          3HZ       LYS  43  -6.140   1.599 -13.174
  280    H    ILE  44           H        ILE  44  -8.502  -2.487 -17.309
  281    HA   ILE  44           HA       ILE  44  -6.515  -3.807 -18.975
  282    HB   ILE  44           HB       ILE  44  -8.551  -1.736 -19.325
  283   1HG1  ILE  44          2HG1      ILE  44  -8.703  -4.016 -20.222
  284   2HG1  ILE  44          1HG1      ILE  44  -8.673  -2.845 -21.541
  285   1HG2  ILE  44          1HG2      ILE  44  -6.851  -0.217 -19.947
  286   2HG2  ILE  44          2HG2      ILE  44  -7.314  -0.960 -21.478
  287   3HG2  ILE  44          3HG2      ILE  44  -5.853  -1.492 -20.646
  288   1HD1  ILE  44          1HD1      ILE  44  -5.970  -3.476 -20.893
  289   2HD1  ILE  44          2HD1      ILE  44  -6.841  -3.842 -22.382
  290   3HD1  ILE  44          3HD1      ILE  44  -6.850  -4.997 -21.049
  291    H    CYS  45           H        CYS  45  -4.477  -3.615 -18.198
  292    HA   CYS  45           HA       CYS  45  -3.464  -1.011 -17.247
  293   1HB   CYS  45          2HB       CYS  45  -1.352  -2.341 -16.865
  294   2HB   CYS  45          1HB       CYS  45  -2.753  -2.948 -15.991
  295    H    ARG  46           H        ARG  46  -3.389  -3.053 -20.060
  296    HA   ARG  46           HA       ARG  46  -1.827  -0.954 -21.467
  297   1HB   ARG  46          2HB       ARG  46  -1.211  -3.920 -21.613
  298   2HB   ARG  46          1HB       ARG  46  -0.443  -2.667 -22.588
  299   1HG   ARG  46          2HG       ARG  46   0.331  -1.567 -20.476
  300   2HG   ARG  46          1HG       ARG  46  -0.319  -2.935 -19.573
  301   1HD   ARG  46          2HD       ARG  46   1.497  -4.180 -20.035
  302   2HD   ARG  46          1HD       ARG  46   1.317  -3.875 -21.762
  303    HE   ARG  46           HE       ARG  46   3.197  -2.491 -21.489
  304   1HH1  ARG  46          1HH2      ARG  46   3.518  -3.111 -18.558
  305   2HH1  ARG  46          2HH2      ARG  46   3.381  -1.538 -17.847
  306   1HH2  ARG  46          1HH1      ARG  46   1.977  -0.094 -20.669
  307   2HH2  ARG  46          2HH1      ARG  46   2.506   0.170 -19.042
  308    H    ILE  47           H        ILE  47  -1.845  -1.548 -23.938
  309    HA   ILE  47           HA       ILE  47  -4.478  -2.770 -24.641
  310    HB   ILE  47           HB       ILE  47  -4.773  -0.347 -24.694
  311   1HG1  ILE  47          2HG1      ILE  47  -4.558  -0.474 -27.542
  312   2HG1  ILE  47          1HG1      ILE  47  -5.014  -2.078 -26.965
  313   1HG2  ILE  47          1HG2      ILE  47  -2.081  -0.302 -25.330
  314   2HG2  ILE  47          2HG2      ILE  47  -3.162   1.090 -25.380
  315   3HG2  ILE  47          3HG2      ILE  47  -2.847   0.164 -26.848
  316   1HD1  ILE  47          1HD1      ILE  47  -6.998  -1.317 -26.007
  317   2HD1  ILE  47          2HD1      ILE  47  -6.880  -0.278 -27.426
  318   3HD1  ILE  47          3HD1      ILE  47  -6.405   0.334 -25.842
  319    H    ALA  48           H        ALA  48  -3.405  -4.653 -25.400
  320    HA   ALA  48           HA       ALA  48  -1.101  -4.874 -26.926
  321   1HB   ALA  48          1HB       ALA  48  -1.770  -7.016 -27.075
  322   2HB   ALA  48          2HB       ALA  48  -3.137  -6.563 -28.092
  323   3HB   ALA  48          3HB       ALA  48  -3.298  -6.540 -26.337
  324    H    LYS  49           H        LYS  49  -0.646  -4.829 -29.185
  325    HA   LYS  49           HA       LYS  49  -2.654  -3.377 -30.834
  326   1HB   LYS  49          2HB       LYS  49   0.318  -2.992 -30.777
  327   2HB   LYS  49          1HB       LYS  49  -0.775  -2.176 -31.891
  328   1HG   LYS  49          2HG       LYS  49  -1.991  -1.590 -29.547
  329   2HG   LYS  49          1HG       LYS  49  -0.323  -1.707 -28.989
  330   1HD   LYS  49          2HD       LYS  49  -0.596  -0.217 -31.503
  331   2HD   LYS  49          1HD       LYS  49  -1.454   0.529 -30.154
  332   1HE   LYS  49          2HE       LYS  49   1.267  -0.466 -29.536
  333   2HE   LYS  49          1HE       LYS  49   1.194   0.910 -30.635
  334   1HZ   LYS  49          1HZ       LYS  49   0.723   2.235 -28.945
  335   2HZ   LYS  49          2HZ       LYS  49   0.907   0.927 -27.874
  336   3HZ   LYS  49          3HZ       LYS  49  -0.623   1.295 -28.517
  337    H    GLY  50           H        GLY  50   0.239  -5.372 -30.936
  338   1HA   GLY  50          2HA       GLY  50   0.087  -6.088 -33.682
  339   2HA   GLY  50          1HA       GLY  50   0.919  -7.030 -32.448
  340    H    ASP  51           H        ASP  51   0.060  -8.994 -31.997
  341    HA   ASP  51           HA       ASP  51  -2.816  -9.448 -32.524
  342   1HB   ASP  51          2HB       ASP  51  -0.789 -10.440 -34.135
  343   2HB   ASP  51          1HB       ASP  51  -1.168 -11.779 -33.055
  344    H    TRP  52           H        TRP  52  -3.560  -9.784 -30.473
  345    HA   TRP  52           HA       TRP  52  -2.938 -12.134 -29.017
  346   1HB   TRP  52          2HB       TRP  52  -1.897 -10.535 -27.037
  347   2HB   TRP  52          1HB       TRP  52  -0.936 -11.559 -28.100
  348    HD1  TRP  52           HD1      TRP  52  -2.634  -8.171 -28.886
  349    HE1  TRP  52           HE1      TRP  52  -0.839  -6.562 -29.776
  350    HE3  TRP  52           HE3      TRP  52   1.517 -11.103 -28.372
  351    HZ2  TRP  52           HZ2      TRP  52   1.982  -6.510 -30.208
  352    HZ3  TRP  52           HZ3      TRP  52   3.746 -10.242 -29.029
  353    HH2  TRP  52           HH2      TRP  52   3.982  -7.949 -29.947
  354    H    ASN  53           H        ASN  53  -3.456 -11.381 -26.410
  355    HA   ASN  53           HA       ASN  53  -6.189 -10.237 -26.686
  356   1HB   ASN  53          2HB       ASN  53  -4.977 -12.318 -25.048
  357   2HB   ASN  53          1HB       ASN  53  -5.845 -11.144 -24.058
  358   1HD2  ASN  53          1HD2      ASN  53  -6.342 -14.019 -25.595
  359   2HD2  ASN  53          2HD2      ASN  53  -7.989 -13.869 -25.975
  360    H    ASP  54           H        ASP  54  -6.887  -8.848 -24.743
  361    HA   ASP  54           HA       ASP  54  -4.963  -6.684 -24.443
  362   1HB   ASP  54          2HB       ASP  54  -7.381  -6.785 -22.735
  363   2HB   ASP  54          1HB       ASP  54  -6.709  -5.435 -23.639
  364    H    ASP  55           H        ASP  55  -3.875  -6.072 -22.537
  365    HA   ASP  55           HA       ASP  55  -3.380  -8.260 -20.652
  366   1HB   ASP  55          2HB       ASP  55  -1.843  -6.185 -21.620
  367   2HB   ASP  55          1HB       ASP  55  -2.234  -5.661 -19.985
  368    H    ARG  56           H        ARG  56  -4.598  -8.546 -18.866
  369    HA   ARG  56           HA       ARG  56  -5.995  -6.177 -17.716
  370   1HB   ARG  56          2HB       ARG  56  -6.759  -8.993 -17.107
  371   2HB   ARG  56          1HB       ARG  56  -7.755  -7.547 -17.062
  372   1HG   ARG  56          2HG       ARG  56  -6.774  -7.849 -19.730
  373   2HG   ARG  56          1HG       ARG  56  -7.440  -9.400 -19.218
  374   1HD   ARG  56          2HD       ARG  56  -9.524  -8.270 -18.520
  375   2HD   ARG  56          1HD       ARG  56  -8.860  -6.725 -19.052
  376    HE   ARG  56           HE       ARG  56  -8.760  -8.603 -21.217
  377   1HH1  ARG  56          1HH2      ARG  56 -10.110  -5.738 -20.411
  378   2HH1  ARG  56          2HH2      ARG  56 -11.646  -5.996 -21.169
  379   1HH2  ARG  56          1HH1      ARG  56 -11.101  -9.374 -21.727
  380   2HH2  ARG  56          2HH1      ARG  56 -12.207  -8.054 -21.912
  381    H    CYS  57           H        CYS  57  -5.962  -5.956 -15.398
  382    HA   CYS  57           HA       CYS  57  -3.550  -7.124 -14.169
  383   1HB   CYS  57          2HB       CYS  57  -5.482  -5.314 -12.737
  384   2HB   CYS  57          1HB       CYS  57  -3.735  -5.447 -12.539
  385    H    THR  58           H        THR  58  -3.821  -8.040 -11.925
  386    HA   THR  58           HA       THR  58  -6.103  -9.901 -11.919
  387    HB   THR  58           HB       THR  58  -4.920 -10.985 -10.058
  388    HG1  THR  58           HG1      THR  58  -2.972  -8.957 -10.349
  389   1HG2  THR  58          1HG2      THR  58  -4.217 -11.386 -12.445
  390   2HG2  THR  58          2HG2      THR  58  -2.943 -11.677 -11.261
  391   3HG2  THR  58          3HG2      THR  58  -2.943 -10.190 -12.209
  392    H    GLY  59           H        GLY  59  -6.825 -10.278  -9.389
  393   1HA   GLY  59          2HA       GLY  59  -7.926  -7.630  -8.606
  394   2HA   GLY  59          1HA       GLY  59  -8.583  -9.193  -8.120
  395    H    GLN  60           H        GLN  60  -5.143  -8.759  -7.975
  396    HA   GLN  60           HA       GLN  60  -5.305  -8.216  -5.049
  397   1HB   GLN  60          2HB       GLN  60  -3.844 -10.044  -4.523
  398   2HB   GLN  60          1HB       GLN  60  -5.129 -10.698  -5.542
  399   1HG   GLN  60          2HG       GLN  60  -3.466 -10.087  -7.501
  400   2HG   GLN  60          1HG       GLN  60  -2.255 -10.175  -6.222
  401   1HE2  GLN  60          1HE2      GLN  60  -3.622 -12.277  -4.681
  402   2HE2  GLN  60          2HE2      GLN  60  -3.482 -13.709  -5.581
  403    H    SER  61           H        SER  61  -3.584  -7.852  -8.061
  404    HA   SER  61           HA       SER  61  -1.417  -6.424  -6.575
  405   1HB   SER  61          2HB       SER  61  -0.867  -8.458  -8.100
  406   2HB   SER  61          1HB       SER  61  -1.176  -7.350  -9.433
  407    HG   SER  61           HG       SER  61   1.031  -7.368  -8.768
  408    H    ALA  62           H        ALA  62  -0.388  -4.701  -8.186
  409    HA   ALA  62           HA       ALA  62  -2.645  -3.185  -9.431
  410   1HB   ALA  62          1HB       ALA  62  -1.750  -2.256  -7.222
  411   2HB   ALA  62          2HB       ALA  62  -1.742  -1.138  -8.586
  412   3HB   ALA  62          3HB       ALA  62  -0.246  -1.924  -8.082
  413    H    ASP  63           H        ASP  63   0.818  -3.934  -9.474
  414    HA   ASP  63           HA       ASP  63   1.500  -2.415 -11.793
  415   1HB   ASP  63          2HB       ASP  63   2.658  -4.969 -10.709
  416   2HB   ASP  63          1HB       ASP  63   3.393  -4.037 -12.006
  417    H    CYS  64           H        CYS  64   2.135  -3.541 -13.933
  418    HA   CYS  64           HA       CYS  64   0.051  -5.572 -14.612
  419   1HB   CYS  64          2HB       CYS  64  -0.625  -3.480 -15.583
  420   2HB   CYS  64          1HB       CYS  64   0.983  -3.198 -16.239
  421    HA   PRO  65           HA       PRO  65   3.779  -7.663 -15.825
  422   1HB   PRO  65          2HB       PRO  65   2.571 -10.117 -15.785
  423   2HB   PRO  65          1HB       PRO  65   3.206  -9.330 -14.341
  424   1HG   PRO  65          2HG       PRO  65   0.394  -9.759 -15.176
  425   2HG   PRO  65          1HG       PRO  65   1.043  -9.432 -13.560
  426   1HD   PRO  65          2HD       PRO  65  -0.242  -7.571 -15.306
  427   2HD   PRO  65          1HD       PRO  65   0.550  -7.209 -13.759
  428    H    ARG  66           H        ARG  66   4.167  -9.313 -17.666
  429    HA   ARG  66           HA       ARG  66   2.227  -8.880 -19.870
  430   1HB   ARG  66          2HB       ARG  66   5.245  -9.024 -20.090
  431   2HB   ARG  66          1HB       ARG  66   4.123  -8.796 -21.432
  432   1HG   ARG  66          2HG       ARG  66   3.429  -6.837 -19.531
  433   2HG   ARG  66          1HG       ARG  66   5.191  -6.825 -19.600
  434   1HD   ARG  66          2HD       ARG  66   4.279  -5.295 -21.284
  435   2HD   ARG  66          1HD       ARG  66   5.075  -6.655 -22.074
  436    HE   ARG  66           HE       ARG  66   2.432  -7.463 -21.873
  437   1HH1  ARG  66          1HH2      ARG  66   4.411  -5.518 -23.789
  438   2HH1  ARG  66          2HH2      ARG  66   3.121  -4.835 -24.722
  439   1HH2  ARG  66          1HH1      ARG  66   0.616  -6.241 -22.780
  440   2HH2  ARG  66          2HH1      ARG  66   0.973  -5.243 -24.152
  441    H    TYR  67           H        TYR  67   1.771 -10.703 -21.144
  442    HA   TYR  67           HA       TYR  67   3.377 -13.086 -21.090
  443   1HB   TYR  67          2HB       TYR  67   1.907 -14.538 -19.805
  444   2HB   TYR  67          1HB       TYR  67   2.385 -13.173 -18.796
  445    HD1  TYR  67           HD1      TYR  67  -0.362 -15.055 -20.017
  446    HD2  TYR  67           HD2      TYR  67   0.789 -11.075 -18.884
  447    HE1  TYR  67           HE1      TYR  67  -2.746 -14.458 -19.693
  448    HE2  TYR  67           HE2      TYR  67  -1.597 -10.477 -18.559
  449    HH   TYR  67           HH       TYR  67  -3.695 -11.183 -18.634
  450    H    HIS  68           HN       HIS  68   1.908 -11.320 -22.966
  451    HA   HIS  68           HA       HIS  68  -0.157 -13.172 -24.032
  452   1HB   HIS  68          2HB       HIS  68   0.518 -10.281 -24.477
  453   2HB   HIS  68          1HB       HIS  68  -0.346 -11.163 -25.736
  454    HD1  HIS  68           HD1      HIS  68  -1.998 -13.009 -23.763
  455    HD2  HIS  68           HD2      HIS  68  -1.720  -8.856 -23.510
  456    HE1  HIS  68           HE1      HIS  68  -4.038 -12.231 -22.481
  Start of MODEL   12
    1   1H    GLY   1          1HT       GLY   1  10.466 -10.784  -0.888
    2   2H    GLY   1          2HT       GLY   1  10.672  -9.370   0.031
    3   3H    GLY   1          3HT       GLY   1  11.595  -9.616  -1.373
    4   1HA   GLY   1          1HA       GLY   1   9.363  -9.699  -2.592
    5   2HA   GLY   1          2HA       GLY   1   8.735  -8.935  -1.132
    6    H    LYS   2           H        LYS   2   8.481  -6.803  -1.646
    7    HA   LYS   2           HA       LYS   2  10.798  -5.425  -2.949
    8   1HB   LYS   2          2HB       LYS   2   7.833  -4.810  -3.143
    9   2HB   LYS   2          1HB       LYS   2   9.109  -3.793  -3.813
   10   1HG   LYS   2          2HG       LYS   2   8.965  -5.055  -5.680
   11   2HG   LYS   2          1HG       LYS   2   9.732  -6.342  -4.750
   12   1HD   LYS   2          2HD       LYS   2   7.347  -6.895  -3.915
   13   2HD   LYS   2          1HD       LYS   2   6.794  -5.897  -5.261
   14   1HE   LYS   2          2HE       LYS   2   6.986  -7.748  -6.541
   15   2HE   LYS   2          1HE       LYS   2   8.732  -7.525  -6.413
   16   1HZ   LYS   2          1HZ       LYS   2   7.252  -8.932  -4.290
   17   2HZ   LYS   2          2HZ       LYS   2   8.892  -9.054  -4.714
   18   3HZ   LYS   2          3HZ       LYS   2   7.702  -9.756  -5.703
   19    H    GLU   3           H        GLU   3  11.283  -3.291  -2.137
   20    HA   GLU   3           HA       GLU   3  10.078  -2.735   0.548
   21   1HB   GLU   3          2HB       GLU   3  12.472  -1.572   0.820
   22   2HB   GLU   3          1HB       GLU   3  12.229  -3.281   1.182
   23   1HG   GLU   3          2HG       GLU   3  13.120  -3.957  -0.924
   24   2HG   GLU   3          1HG       GLU   3  13.047  -2.315  -1.564
   25    H    CYS   4           H        CYS   4   8.777  -1.568  -1.451
   26    HA   CYS   4           HA       CYS   4   8.967   1.195  -0.957
   27   1HB   CYS   4          2HB       CYS   4  11.098   0.820  -2.339
   28   2HB   CYS   4          1HB       CYS   4   9.997   0.633  -3.682
   29    H    ASP   5           H        ASP   5   6.785   0.065  -0.788
   30    HA   ASP   5           HA       ASP   5   5.168  -0.799  -2.827
   31   1HB   ASP   5          2HB       ASP   5   4.591  -0.253  -0.348
   32   2HB   ASP   5          1HB       ASP   5   4.129   1.331  -0.973
   33    H    CYS   6           H        CYS   6   6.406   2.449  -2.394
   34    HA   CYS   6           HA       CYS   6   5.588   3.134  -5.109
   35   1HB   CYS   6          2HB       CYS   6   3.585   3.986  -4.487
   36   2HB   CYS   6          1HB       CYS   6   4.023   3.978  -2.790
   37    H    SER   7           H        SER   7   6.437   5.367  -5.678
   38    HA   SER   7           HA       SER   7   8.738   6.108  -3.919
   39   1HB   SER   7          2HB       SER   7   9.907   6.678  -6.150
   40   2HB   SER   7          1HB       SER   7   9.770   4.975  -5.719
   41    HG   SER   7           HG       SER   7   9.061   5.161  -7.801
   42    H    SER   8           H        SER   8   5.967   7.140  -5.615
   43    HA   SER   8           HA       SER   8   6.768   9.834  -6.235
   44   1HB   SER   8          2HB       SER   8   4.117  10.102  -5.960
   45   2HB   SER   8          1HB       SER   8   4.835   9.323  -7.367
   46    HG   SER   8           HG       SER   8   3.935   7.535  -6.753
   47    HA   PRO   9           HA       PRO   9   6.717  11.099  -1.929
   48   1HB   PRO   9          2HB       PRO   9   7.871  13.547  -2.406
   49   2HB   PRO   9          1HB       PRO   9   8.792  12.039  -2.267
   50   1HG   PRO   9          2HG       PRO   9   8.122  13.613  -4.710
   51   2HG   PRO   9          1HG       PRO   9   9.491  12.528  -4.414
   52   1HD   PRO   9          2HD       PRO   9   7.171  11.897  -5.907
   53   2HD   PRO   9          1HD       PRO   9   8.381  10.737  -5.318
   54    H    GLU  10           H        GLU  10   5.000  12.290  -4.598
   55    HA   GLU  10           HA       GLU  10   3.722  14.497  -3.086
   56   1HB   GLU  10          2HB       GLU  10   4.366  14.438  -5.663
   57   2HB   GLU  10          1HB       GLU  10   2.805  13.628  -5.804
   58   1HG   GLU  10          2HG       GLU  10   2.496  16.034  -6.085
   59   2HG   GLU  10          1HG       GLU  10   1.751  15.521  -4.571
   60    H    ASN  11           H        ASN  11   2.958  11.356  -4.531
   61    HA   ASN  11           HA       ASN  11   0.180  11.340  -3.913
   62   1HB   ASN  11          2HB       ASN  11   0.786   9.683  -5.422
   63   2HB   ASN  11          1HB       ASN  11   2.253   9.274  -4.541
   64   1HD2  ASN  11          1HD2      ASN  11   1.926   7.075  -4.080
   65   2HD2  ASN  11          2HD2      ASN  11   0.582   6.468  -3.243
   66    HA   PRO  12           HA       PRO  12   0.695  10.901   0.511
   67   1HB   PRO  12          2HB       PRO  12  -1.982  11.072   1.087
   68   2HB   PRO  12          1HB       PRO  12  -0.964  12.479   0.736
   69   1HG   PRO  12          2HG       PRO  12  -3.018  11.176  -0.984
   70   2HG   PRO  12          1HG       PRO  12  -2.432  12.847  -1.006
   71   1HD   PRO  12          2HD       PRO  12  -1.676  10.780  -2.803
   72   2HD   PRO  12          1HD       PRO  12  -0.900  12.370  -2.638
   73    H    CYS  13           H        CYS  13   0.496   8.463  -1.251
   74    HA   CYS  13           HA       CYS  13  -0.997   6.706   0.649
   75   1HB   CYS  13          2HB       CYS  13  -1.619   7.032  -2.002
   76   2HB   CYS  13          1HB       CYS  13  -0.539   5.640  -2.043
   77    H    CYS  14           H        CYS  14   1.952   7.653   0.279
   78    HA   CYS  14           HA       CYS  14   3.073   5.090   1.025
   79   1HB   CYS  14          2HB       CYS  14   4.795   5.167  -0.895
   80   2HB   CYS  14          1HB       CYS  14   3.177   4.581  -1.276
   81    H    ASP  15           H        ASP  15   4.751   5.444   2.359
   82    HA   ASP  15           HA       ASP  15   5.633   8.149   2.896
   83   1HB   ASP  15          2HB       ASP  15   5.471   5.996   4.434
   84   2HB   ASP  15          1HB       ASP  15   7.119   5.782   3.870
   85    H    ALA  16           H        ALA  16   7.722   9.017   2.487
   86    HA   ALA  16           HA       ALA  16   9.098   7.775   0.198
   87   1HB   ALA  16          1HB       ALA  16   8.411  10.214   0.196
   88   2HB   ALA  16          2HB       ALA  16  10.111   9.922  -0.165
   89   3HB   ALA  16          3HB       ALA  16   9.634  10.479   1.439
   90    H    ALA  17           H        ALA  17   9.558   8.432   3.591
   91    HA   ALA  17           HA       ALA  17  12.460   7.995   3.467
   92   1HB   ALA  17          1HB       ALA  17  11.725   7.780   6.129
   93   2HB   ALA  17          2HB       ALA  17  10.512   8.878   5.469
   94   3HB   ALA  17          3HB       ALA  17  12.227   9.266   5.322
   95    H    THR  18           H        THR  18   9.635   6.039   3.762
   96    HA   THR  18           HA       THR  18  11.356   3.755   4.651
   97    HB   THR  18           HB       THR  18   9.168   2.710   5.392
   98    HG1  THR  18           HG1      THR  18   7.398   3.794   5.147
   99   1HG2  THR  18          1HG2      THR  18   9.636   5.330   6.800
  100   2HG2  THR  18          2HG2      THR  18  10.848   4.050   6.844
  101   3HG2  THR  18          3HG2      THR  18   9.236   3.760   7.498
  102    H    CYS  19           H        CYS  19   9.956   5.063   1.971
  103    HA   CYS  19           HA       CYS  19   9.142   4.155  -0.053
  104   1HB   CYS  19          2HB       CYS  19  11.534   2.760   0.762
  105   2HB   CYS  19          1HB       CYS  19  10.492   1.708  -0.167
  106    H    LYS  20           H        LYS  20   7.005   3.789   0.936
  107    HA   LYS  20           HA       LYS  20   6.016   1.165   0.456
  108   1HB   LYS  20          2HB       LYS  20   6.842   1.746   3.263
  109   2HB   LYS  20          1HB       LYS  20   5.307   0.912   3.017
  110   1HG   LYS  20          2HG       LYS  20   6.927  -0.443   1.279
  111   2HG   LYS  20          1HG       LYS  20   8.056  -0.060   2.580
  112   1HD   LYS  20          2HD       LYS  20   5.935  -0.858   4.052
  113   2HD   LYS  20          1HD       LYS  20   5.675  -1.835   2.606
  114   1HE   LYS  20          2HE       LYS  20   7.868  -2.812   2.777
  115   2HE   LYS  20          1HE       LYS  20   8.330  -1.685   4.054
  116   1HZ   LYS  20          1HZ       LYS  20   7.747  -3.764   5.040
  117   2HZ   LYS  20          2HZ       LYS  20   6.264  -3.812   4.212
  118   3HZ   LYS  20          3HZ       LYS  20   6.528  -2.647   5.421
  119    H    LEU  21           H        LEU  21   3.740   1.072   1.973
  120    HA   LEU  21           HA       LEU  21   2.310   3.440   0.986
  121   1HB   LEU  21          2HB       LEU  21   1.517   0.805   2.181
  122   2HB   LEU  21          1HB       LEU  21   0.352   2.130   2.174
  123    HG   LEU  21           HG       LEU  21   1.827   1.494  -0.358
  124   1HD1  LEU  21          1HD1      LEU  21   0.902  -0.545  -0.564
  125   2HD1  LEU  21          2HD1      LEU  21  -0.698   0.152  -0.315
  126   3HD1  LEU  21          3HD1      LEU  21   0.247  -0.403   1.067
  127   1HD2  LEU  21          1HD2      LEU  21  -0.972   1.975  -0.643
  128   2HD2  LEU  21          2HD2      LEU  21   0.362   3.024  -1.118
  129   3HD2  LEU  21          3HD2      LEU  21  -0.338   3.164   0.495
  130    H    ARG  22           H        ARG  22   1.619   5.133   2.256
  131    HA   ARG  22           HA       ARG  22   2.560   5.188   5.027
  132   1HB   ARG  22          2HB       ARG  22   2.837   7.274   4.031
  133   2HB   ARG  22          1HB       ARG  22   1.302   7.198   3.180
  134   1HG   ARG  22          2HG       ARG  22   1.130   7.144   6.141
  135   2HG   ARG  22          1HG       ARG  22   1.688   8.661   5.434
  136   1HD   ARG  22          2HD       ARG  22  -0.371   8.195   3.786
  137   2HD   ARG  22          1HD       ARG  22  -0.966   7.322   5.198
  138    HE   ARG  22           HE       ARG  22  -0.544  10.236   5.015
  139   1HH1  ARG  22          1HH2      ARG  22   0.410   8.625   7.573
  140   2HH1  ARG  22          2HH2      ARG  22  -0.922   8.972   8.623
  141   1HH2  ARG  22          1HH1      ARG  22  -2.949  10.184   6.084
  142   2HH2  ARG  22          2HH1      ARG  22  -2.826   9.854   7.780
  143    HA   PRO  23           HA       PRO  23  -2.134   5.192   5.875
  144   1HB   PRO  23          2HB       PRO  23  -3.822   4.751   3.757
  145   2HB   PRO  23          1HB       PRO  23  -3.286   6.366   4.249
  146   1HG   PRO  23          2HG       PRO  23  -2.443   4.748   1.896
  147   2HG   PRO  23          1HG       PRO  23  -2.420   6.505   2.114
  148   1HD   PRO  23          2HD       PRO  23  -0.190   4.754   2.321
  149   2HD   PRO  23          1HD       PRO  23  -0.240   6.465   2.789
  150    H    GLY  24           H        GLY  24  -4.131   3.394   5.138
  151   1HA   GLY  24          2HA       GLY  24  -2.719   0.805   5.434
  152   2HA   GLY  24          1HA       GLY  24  -4.442   1.075   5.704
  153    H    ALA  25           H        ALA  25  -3.276   2.567   2.883
  154    HA   ALA  25           HA       ALA  25  -4.953   1.093   1.134
  155   1HB   ALA  25          1HB       ALA  25  -3.877   2.301  -0.652
  156   2HB   ALA  25          2HB       ALA  25  -2.448   2.599   0.338
  157   3HB   ALA  25          3HB       ALA  25  -3.972   3.395   0.728
  158    H    GLN  26           H        GLN  26  -4.494  -0.588  -0.342
  159    HA   GLN  26           HA       GLN  26  -2.327  -2.383   0.460
  160   1HB   GLN  26          2HB       GLN  26  -3.357  -3.982  -0.926
  161   2HB   GLN  26          1HB       GLN  26  -4.721  -2.996  -0.401
  162   1HG   GLN  26          2HG       GLN  26  -5.076  -3.117  -2.708
  163   2HG   GLN  26          1HG       GLN  26  -4.198  -1.595  -2.555
  164   1HE2  GLN  26          1HE2      GLN  26  -3.778  -2.401  -4.987
  165   2HE2  GLN  26          2HE2      GLN  26  -2.352  -3.292  -5.206
  166    H    CYS  27           H        CYS  27  -2.764   0.147  -1.792
  167    HA   CYS  27           HA       CYS  27  -0.062  -0.223  -2.829
  168   1HB   CYS  27          2HB       CYS  27  -0.771  -0.146  -5.187
  169   2HB   CYS  27          1HB       CYS  27  -1.397  -1.584  -4.381
  170    H    GLY  28           H        GLY  28   0.837   1.785  -3.239
  171   1HA   GLY  28          2HA       GLY  28  -1.021   4.106  -3.006
  172   2HA   GLY  28          1HA       GLY  28   0.701   4.155  -2.633
  173    H    GLU  29           H        GLU  29   0.540   2.330  -5.348
  174    HA   GLU  29           HA       GLU  29  -0.018   4.190  -7.429
  175   1HB   GLU  29          2HB       GLU  29   1.896   5.388  -6.304
  176   2HB   GLU  29          1HB       GLU  29   2.926   4.026  -6.733
  177   1HG   GLU  29          2HG       GLU  29   1.298   5.528  -8.788
  178   2HG   GLU  29          1HG       GLU  29   2.938   6.008  -8.352
  179    H    GLY  30           H        GLY  30  -0.355   2.833  -9.108
  180   1HA   GLY  30          2HA       GLY  30   1.614   0.986 -10.069
  181   2HA   GLY  30          1HA       GLY  30   0.345   0.110  -9.208
  182    H    LEU  31           H        LEU  31   0.769  -0.193 -12.015
  183    HA   LEU  31           HA       LEU  31  -0.989   1.481 -13.554
  184   1HB   LEU  31          2HB       LEU  31   0.495  -0.996 -13.982
  185   2HB   LEU  31          1HB       LEU  31  -0.988  -0.889 -14.916
  186    HG   LEU  31           HG       LEU  31   1.196   1.213 -14.833
  187   1HD1  LEU  31          1HD1      LEU  31   0.631  -1.112 -16.595
  188   2HD1  LEU  31          2HD1      LEU  31   2.164  -0.317 -16.239
  189   3HD1  LEU  31          3HD1      LEU  31   1.053   0.395 -17.409
  190   1HD2  LEU  31          1HD2      LEU  31  -1.554   1.082 -15.984
  191   2HD2  LEU  31          2HD2      LEU  31  -0.304   1.841 -16.971
  192   3HD2  LEU  31          3HD2      LEU  31  -0.662   2.471 -15.363
  193    H    CYS  32           H        CYS  32  -1.504  -1.071 -11.345
  194    HA   CYS  32           HA       CYS  32  -4.384  -1.196 -12.141
  195   1HB   CYS  32          2HB       CYS  32  -3.108  -3.458 -10.651
  196   2HB   CYS  32          1HB       CYS  32  -4.449  -3.488 -11.795
  197    H    CYS  33           H        CYS  33  -2.768   0.452 -10.122
  198    HA   CYS  33           HA       CYS  33  -3.885  -0.564  -7.581
  199   1HB   CYS  33          2HB       CYS  33  -1.624   0.298  -7.456
  200   2HB   CYS  33          1HB       CYS  33  -2.114   1.818  -8.200
  201    H    GLU  34           H        GLU  34  -6.078  -0.174  -7.567
  202    HA   GLU  34           HA       GLU  34  -7.389   2.075  -8.707
  203   1HB   GLU  34          2HB       GLU  34  -8.244  -0.203  -7.544
  204   2HB   GLU  34          1HB       GLU  34  -8.516   0.930  -6.225
  205   1HG   GLU  34          2HG       GLU  34 -10.149   2.080  -7.355
  206   2HG   GLU  34          1HG       GLU  34  -9.394   1.804  -8.926
  207    H    GLN  35           H        GLN  35  -8.840   3.318  -6.655
  208    HA   GLN  35           HA       GLN  35  -7.033   5.320  -5.776
  209   1HB   GLN  35          2HB       GLN  35  -9.847   4.622  -5.295
  210   2HB   GLN  35          1HB       GLN  35  -9.078   5.424  -3.925
  211   1HG   GLN  35          2HG       GLN  35 -10.006   7.133  -5.369
  212   2HG   GLN  35          1HG       GLN  35  -8.249   7.189  -5.509
  213   1HE2  GLN  35          1HE2      GLN  35  -7.274   6.314  -7.497
  214   2HE2  GLN  35          2HE2      GLN  35  -8.209   6.090  -8.896
  215    H    CYS  36           H        CYS  36  -5.236   4.249  -4.795
  216    HA   CYS  36           HA       CYS  36  -4.036   3.251  -3.046
  217   1HB   CYS  36          2HB       CYS  36  -6.295   4.671  -1.637
  218   2HB   CYS  36          1HB       CYS  36  -5.055   3.800  -0.742
  219    H    LYS  37           H        LYS  37  -5.660   1.425  -4.404
  220    HA   LYS  37           HA       LYS  37  -6.049  -0.592  -2.328
  221   1HB   LYS  37          2HB       LYS  37  -8.281   0.984  -3.118
  222   2HB   LYS  37          1HB       LYS  37  -8.494  -0.612  -3.840
  223   1HG   LYS  37          2HG       LYS  37  -8.636  -1.672  -1.795
  224   2HG   LYS  37          1HG       LYS  37  -7.597  -0.493  -0.994
  225   1HD   LYS  37          2HD       LYS  37 -10.444   0.026  -1.904
  226   2HD   LYS  37          1HD       LYS  37  -9.952  -0.297  -0.241
  227   1HE   LYS  37          2HE       LYS  37  -8.302   1.793  -1.344
  228   2HE   LYS  37          1HE       LYS  37 -10.002   2.207  -1.559
  229   1HZ   LYS  37          1HZ       LYS  37 -10.198   2.612   0.595
  230   2HZ   LYS  37          2HZ       LYS  37  -8.519   2.409   0.758
  231   3HZ   LYS  37          3HZ       LYS  37  -9.564   1.094   1.008
  232    H    PHE  38           H        PHE  38  -6.821  -2.705  -3.421
  233    HA   PHE  38           HA       PHE  38  -5.196  -3.146  -5.793
  234   1HB   PHE  38          2HB       PHE  38  -6.846  -4.797  -3.961
  235   2HB   PHE  38          1HB       PHE  38  -6.680  -5.404  -5.606
  236    HD1  PHE  38           HD1      PHE  38  -4.109  -4.970  -6.537
  237    HD2  PHE  38           HD2      PHE  38  -5.283  -5.661  -2.463
  238    HE1  PHE  38           HE1      PHE  38  -1.833  -5.809  -6.021
  239    HE2  PHE  38           HE2      PHE  38  -3.007  -6.499  -1.949
  240    HZ   PHE  38           HZ       PHE  38  -1.282  -6.573  -3.728
  241    H    SER  39           H        SER  39  -5.873  -2.639  -7.823
  242    HA   SER  39           HA       SER  39  -8.530  -1.860  -8.472
  243   1HB   SER  39          2HB       SER  39  -7.842  -2.164 -10.832
  244   2HB   SER  39          1HB       SER  39  -6.604  -1.310  -9.916
  245    HG   SER  39           HG       SER  39  -6.639  -4.118 -10.340
  246    H    ARG  40           H        ARG  40 -10.040  -3.123  -9.913
  247    HA   ARG  40           HA       ARG  40 -10.183  -5.882  -8.922
  248   1HB   ARG  40          2HB       ARG  40 -12.453  -5.874  -9.920
  249   2HB   ARG  40          1HB       ARG  40 -12.220  -4.507  -8.830
  250   1HG   ARG  40          2HG       ARG  40 -11.699  -3.057 -10.763
  251   2HG   ARG  40          1HG       ARG  40 -11.955  -4.421 -11.850
  252   1HD   ARG  40          2HD       ARG  40 -13.995  -3.131 -11.813
  253   2HD   ARG  40          1HD       ARG  40 -14.291  -4.619 -10.913
  254    HE   ARG  40           HE       ARG  40 -13.573  -2.101  -9.475
  255   1HH1  ARG  40          1HH2      ARG  40 -14.208  -4.822  -8.182
  256   2HH1  ARG  40          2HH2      ARG  40 -15.835  -4.550  -7.653
  257   1HH2  ARG  40          1HH1      ARG  40 -16.283  -1.728  -9.618
  258   2HH2  ARG  40          2HH1      ARG  40 -17.011  -2.798  -8.467
  259    H    ALA  41           H        ALA  41  -9.997  -7.689 -10.262
  260    HA   ALA  41           HA       ALA  41  -8.377  -7.716 -12.504
  261   1HB   ALA  41          1HB       ALA  41  -9.679  -9.650 -11.176
  262   2HB   ALA  41          2HB       ALA  41  -9.025  -9.915 -12.793
  263   3HB   ALA  41          3HB       ALA  41 -10.738  -9.546 -12.583
  264    H    GLY  42           H        GLY  42  -9.008  -8.056 -14.846
  265   1HA   GLY  42          2HA       GLY  42 -10.315  -7.510 -16.746
  266   2HA   GLY  42          1HA       GLY  42 -11.582  -6.952 -15.661
  267    H    LYS  43           H        LYS  43  -8.370  -5.805 -15.065
  268    HA   LYS  43           HA       LYS  43  -9.235  -3.111 -15.937
  269   1HB   LYS  43          2HB       LYS  43  -8.515  -3.055 -13.678
  270   2HB   LYS  43          1HB       LYS  43  -7.137  -4.100 -14.009
  271   1HG   LYS  43          2HG       LYS  43  -6.179  -1.944 -13.822
  272   2HG   LYS  43          1HG       LYS  43  -6.309  -2.185 -15.557
  273   1HD   LYS  43          2HD       LYS  43  -7.648  -0.388 -15.738
  274   2HD   LYS  43          1HD       LYS  43  -8.783  -1.093 -14.587
  275   1HE   LYS  43          2HE       LYS  43  -6.730  -0.283 -12.941
  276   2HE   LYS  43          1HE       LYS  43  -6.741   0.984 -14.168
  277   1HZ   LYS  43          1HZ       LYS  43  -8.304   1.754 -12.706
  278   2HZ   LYS  43          2HZ       LYS  43  -8.851   0.204 -12.280
  279   3HZ   LYS  43          3HZ       LYS  43  -9.294   0.883 -13.773
  280    H    ILE  44           H        ILE  44  -8.374  -2.273 -17.793
  281    HA   ILE  44           HA       ILE  44  -6.272  -3.760 -19.174
  282    HB   ILE  44           HB       ILE  44  -8.188  -1.647 -19.831
  283   1HG1  ILE  44          2HG1      ILE  44  -8.342  -3.923 -20.693
  284   2HG1  ILE  44          1HG1      ILE  44  -8.057  -2.809 -22.031
  285   1HG2  ILE  44          1HG2      ILE  44  -6.242  -0.261 -20.191
  286   2HG2  ILE  44          2HG2      ILE  44  -6.788  -0.826 -21.771
  287   3HG2  ILE  44          3HG2      ILE  44  -5.395  -1.582 -20.997
  288   1HD1  ILE  44          1HD1      ILE  44  -6.208  -3.967 -22.578
  289   2HD1  ILE  44          2HD1      ILE  44  -6.449  -5.037 -21.197
  290   3HD1  ILE  44          3HD1      ILE  44  -5.510  -3.556 -21.012
  291    H    CYS  45           H        CYS  45  -4.236  -3.529 -18.454
  292    HA   CYS  45           HA       CYS  45  -3.375  -0.951 -17.265
  293   1HB   CYS  45          2HB       CYS  45  -1.191  -2.369 -16.925
  294   2HB   CYS  45          1HB       CYS  45  -2.580  -2.613 -15.885
  295    H    ARG  46           H        ARG  46  -3.321  -2.487 -20.272
  296    HA   ARG  46           HA       ARG  46  -1.801  -0.377 -21.456
  297   1HB   ARG  46          2HB       ARG  46  -0.227  -2.490 -20.328
  298   2HB   ARG  46          1HB       ARG  46  -0.081  -2.553 -22.085
  299   1HG   ARG  46          2HG       ARG  46   0.633  -0.266 -22.196
  300   2HG   ARG  46          1HG       ARG  46   0.219   0.009 -20.504
  301   1HD   ARG  46          2HD       ARG  46   2.094  -1.077 -19.723
  302   2HD   ARG  46          1HD       ARG  46   2.159  -2.178 -21.099
  303    HE   ARG  46           HE       ARG  46   3.169  -0.346 -22.413
  304   1HH1  ARG  46          1HH2      ARG  46   2.076   1.249 -19.742
  305   2HH1  ARG  46          2HH2      ARG  46   3.581   1.995 -19.317
  306   1HH2  ARG  46          1HH1      ARG  46   5.445   0.129 -21.568
  307   2HH2  ARG  46          2HH1      ARG  46   5.487   1.362 -20.351
  308    H    ILE  47           H        ILE  47  -1.035  -1.169 -23.785
  309    HA   ILE  47           HA       ILE  47  -3.191  -2.947 -24.848
  310    HB   ILE  47           HB       ILE  47  -3.624  -0.571 -25.379
  311   1HG1  ILE  47          2HG1      ILE  47  -2.651  -1.685 -27.972
  312   2HG1  ILE  47          1HG1      ILE  47  -3.825  -2.642 -27.069
  313   1HG2  ILE  47          1HG2      ILE  47  -0.777  -0.750 -26.292
  314   2HG2  ILE  47          2HG2      ILE  47  -1.593   0.550 -25.423
  315   3HG2  ILE  47          3HG2      ILE  47  -1.870   0.335 -27.151
  316   1HD1  ILE  47          1HD1      ILE  47  -5.474  -1.285 -27.767
  317   2HD1  ILE  47          2HD1      ILE  47  -4.302  -0.327 -28.671
  318   3HD1  ILE  47          3HD1      ILE  47  -4.673   0.083 -26.997
  319    H    ALA  48           H        ALA  48  -2.563  -4.359 -26.507
  320    HA   ALA  48           HA       ALA  48   0.309  -4.858 -26.695
  321   1HB   ALA  48          1HB       ALA  48  -0.952  -6.842 -26.449
  322   2HB   ALA  48          2HB       ALA  48  -0.573  -6.813 -28.169
  323   3HB   ALA  48          3HB       ALA  48  -2.170  -6.316 -27.608
  324    H    LYS  49           H        LYS  49   0.668  -5.737 -29.280
  325    HA   LYS  49           HA       LYS  49   0.904  -3.273 -30.775
  326   1HB   LYS  49          2HB       LYS  49   1.333  -6.100 -31.627
  327   2HB   LYS  49          1HB       LYS  49   1.893  -4.686 -32.506
  328   1HG   LYS  49          2HG       LYS  49   2.841  -4.261 -29.931
  329   2HG   LYS  49          1HG       LYS  49   3.050  -5.997 -30.156
  330   1HD   LYS  49          2HD       LYS  49   3.932  -3.994 -32.240
  331   2HD   LYS  49          1HD       LYS  49   4.993  -4.514 -30.929
  332   1HE   LYS  49          2HE       LYS  49   3.690  -6.779 -32.216
  333   2HE   LYS  49          1HE       LYS  49   4.628  -5.826 -33.366
  334   1HZ   LYS  49          1HZ       LYS  49   6.462  -5.903 -31.662
  335   2HZ   LYS  49          2HZ       LYS  49   6.112  -7.370 -32.444
  336   3HZ   LYS  49          3HZ       LYS  49   5.560  -7.096 -30.860
  337    H    GLY  50           H        GLY  50  -0.336  -6.180 -32.316
  338   1HA   GLY  50          2HA       GLY  50  -2.908  -4.909 -32.826
  339   2HA   GLY  50          1HA       GLY  50  -1.912  -5.206 -34.246
  340    H    ASP  51           H        ASP  51  -4.269  -6.531 -32.257
  341    HA   ASP  51           HA       ASP  51  -5.369  -8.605 -32.432
  342   1HB   ASP  51          2HB       ASP  51  -3.712  -8.559 -34.731
  343   2HB   ASP  51          1HB       ASP  51  -3.543 -10.143 -33.977
  344    H    TRP  52           H        TRP  52  -5.136  -9.440 -30.420
  345    HA   TRP  52           HA       TRP  52  -3.690 -11.695 -29.779
  346   1HB   TRP  52          2HB       TRP  52  -1.840 -10.470 -28.283
  347   2HB   TRP  52          1HB       TRP  52  -1.544 -10.900 -29.955
  348    HD1  TRP  52           HD1      TRP  52   0.097  -8.993 -30.422
  349    HE1  TRP  52           HE1      TRP  52  -0.163  -6.479 -30.706
  350    HE3  TRP  52           HE3      TRP  52  -4.618  -8.304 -28.554
  351    HZ2  TRP  52           HZ2      TRP  52  -2.106  -4.417 -30.205
  352    HZ3  TRP  52           HZ3      TRP  52  -5.628  -6.068 -28.489
  353    HH2  TRP  52           HH2      TRP  52  -4.350  -4.121 -29.329
  354    H    ASN  53           H        ASN  53  -2.849 -11.157 -27.082
  355    HA   ASN  53           HA       ASN  53  -5.499 -10.609 -25.870
  356   1HB   ASN  53          2HB       ASN  53  -4.656 -11.762 -23.930
  357   2HB   ASN  53          1HB       ASN  53  -4.216 -12.724 -25.340
  358   1HD2  ASN  53          1HD2      ASN  53  -2.868 -12.286 -22.568
  359   2HD2  ASN  53          2HD2      ASN  53  -1.258 -11.923 -22.969
  360    H    ASP  54           H        ASP  54  -5.817  -8.768 -24.645
  361    HA   ASP  54           HA       ASP  54  -3.616  -6.823 -24.480
  362   1HB   ASP  54          2HB       ASP  54  -6.496  -6.738 -24.396
  363   2HB   ASP  54          1HB       ASP  54  -5.823  -5.874 -23.017
  364    H    ASP  55           H        ASP  55  -3.217  -5.712 -22.347
  365    HA   ASP  55           HA       ASP  55  -2.697  -7.720 -20.294
  366   1HB   ASP  55          2HB       ASP  55  -2.363  -4.787 -19.874
  367   2HB   ASP  55          1HB       ASP  55  -1.362  -6.104 -19.278
  368    H    ARG  56           H        ARG  56  -4.085  -8.191 -18.639
  369    HA   ARG  56           HA       ARG  56  -6.120  -6.133 -17.914
  370   1HB   ARG  56          2HB       ARG  56  -6.965  -8.083 -19.368
  371   2HB   ARG  56          1HB       ARG  56  -6.707  -9.092 -17.943
  372   1HG   ARG  56          2HG       ARG  56  -8.751  -8.441 -17.254
  373   2HG   ARG  56          1HG       ARG  56  -8.041  -6.854 -16.954
  374   1HD   ARG  56          2HD       ARG  56  -9.990  -6.583 -18.387
  375   2HD   ARG  56          1HD       ARG  56  -8.537  -6.234 -19.326
  376    HE   ARG  56           HE       ARG  56  -8.808  -8.760 -20.034
  377   1HH1  ARG  56          1HH2      ARG  56 -10.782  -6.111 -20.494
  378   2HH1  ARG  56          2HH2      ARG  56 -12.168  -7.002 -21.029
  379   1HH2  ARG  56          1HH1      ARG  56 -10.817 -10.094 -20.229
  380   2HH2  ARG  56          2HH1      ARG  56 -12.188  -9.258 -20.879
  381    H    CYS  57           H        CYS  57  -4.929  -5.584 -16.016
  382    HA   CYS  57           HA       CYS  57  -3.679  -7.191 -14.160
  383   1HB   CYS  57          2HB       CYS  57  -5.610  -4.983 -13.411
  384   2HB   CYS  57          1HB       CYS  57  -4.229  -5.550 -12.471
  385    H    THR  58           H        THR  58  -4.377  -8.361 -12.286
  386    HA   THR  58           HA       THR  58  -7.063  -9.548 -12.590
  387    HB   THR  58           HB       THR  58  -6.183 -11.405 -11.638
  388    HG1  THR  58           HG1      THR  58  -4.603 -10.054  -9.778
  389   1HG2  THR  58          1HG2      THR  58  -3.479 -10.131 -11.444
  390   2HG2  THR  58          2HG2      THR  58  -4.232 -10.291 -13.032
  391   3HG2  THR  58          3HG2      THR  58  -3.924 -11.726 -12.053
  392    H    GLY  59           H        GLY  59  -7.733 -10.180 -10.003
  393   1HA   GLY  59          2HA       GLY  59  -8.454  -7.508  -8.958
  394   2HA   GLY  59          1HA       GLY  59  -9.180  -9.040  -8.466
  395    H    GLN  60           H        GLN  60  -5.712  -8.827  -8.664
  396    HA   GLN  60           HA       GLN  60  -5.445  -8.214  -5.788
  397   1HB   GLN  60          2HB       GLN  60  -4.398 -10.830  -6.898
  398   2HB   GLN  60          1HB       GLN  60  -4.364 -10.292  -5.219
  399   1HG   GLN  60          2HG       GLN  60  -6.866 -10.255  -5.229
  400   2HG   GLN  60          1HG       GLN  60  -6.833 -10.936  -6.856
  401   1HE2  GLN  60          1HE2      GLN  60  -5.380 -11.637  -3.616
  402   2HE2  GLN  60          2HE2      GLN  60  -5.554 -13.320  -3.747
  403    H    SER  61           H        SER  61  -4.426  -7.509  -8.733
  404    HA   SER  61           HA       SER  61  -1.538  -7.415  -7.938
  405   1HB   SER  61          2HB       SER  61  -1.512  -8.643  -9.911
  406   2HB   SER  61          1HB       SER  61  -2.902  -7.794 -10.580
  407    HG   SER  61           HG       SER  61  -0.317  -6.690 -10.155
  408    H    ALA  62           H        ALA  62  -0.508  -5.426  -7.956
  409    HA   ALA  62           HA       ALA  62  -2.244  -3.062  -8.518
  410   1HB   ALA  62          1HB       ALA  62   0.311  -2.502  -7.217
  411   2HB   ALA  62          2HB       ALA  62  -0.660  -3.655  -6.303
  412   3HB   ALA  62          3HB       ALA  62  -1.320  -2.069  -6.708
  413    H    ASP  63           H        ASP  63   0.284  -4.865  -9.819
  414    HA   ASP  63           HA       ASP  63   1.106  -2.546 -11.511
  415   1HB   ASP  63          2HB       ASP  63   2.844  -4.865 -10.706
  416   2HB   ASP  63          1HB       ASP  63   3.340  -3.476 -11.663
  417    H    CYS  64           H        CYS  64   1.723  -3.208 -13.743
  418    HA   CYS  64           HA       CYS  64   0.170  -5.625 -14.532
  419   1HB   CYS  64          2HB       CYS  64  -0.527  -3.414 -15.479
  420   2HB   CYS  64          1HB       CYS  64   1.028  -3.322 -16.298
  421    HA   PRO  65           HA       PRO  65   4.052  -7.425 -15.558
  422   1HB   PRO  65          2HB       PRO  65   2.949  -9.809 -16.326
  423   2HB   PRO  65          1HB       PRO  65   3.226  -9.373 -14.640
  424   1HG   PRO  65          2HG       PRO  65   0.680  -9.528 -16.163
  425   2HG   PRO  65          1HG       PRO  65   0.949  -9.641 -14.416
  426   1HD   PRO  65          2HD       PRO  65  -0.010  -7.375 -15.827
  427   2HD   PRO  65          1HD       PRO  65   0.509  -7.422 -14.130
  428    H    ARG  66           H        ARG  66   4.678  -8.912 -17.620
  429    HA   ARG  66           HA       ARG  66   3.872  -7.340 -19.966
  430   1HB   ARG  66          2HB       ARG  66   5.863  -9.591 -20.014
  431   2HB   ARG  66          1HB       ARG  66   5.818  -8.132 -21.006
  432   1HG   ARG  66          2HG       ARG  66   5.972  -7.213 -18.355
  433   2HG   ARG  66          1HG       ARG  66   7.114  -8.554 -18.447
  434   1HD   ARG  66          2HD       ARG  66   8.376  -7.531 -20.139
  435   2HD   ARG  66          1HD       ARG  66   7.052  -6.469 -20.615
  436    HE   ARG  66           HE       ARG  66   8.026  -4.932 -19.129
  437   1HH1  ARG  66          1HH1      ARG  66   9.918  -7.478 -18.495
  438   2HH1  ARG  66          2HH1      ARG  66   9.958  -7.318 -16.770
  439   1HH2  ARG  66          1HH2      ARG  66   7.377  -5.006 -16.658
  440   2HH2  ARG  66          2HH2      ARG  66   8.519  -5.920 -15.731
  441    H    TYR  67           H        TYR  67   2.844  -8.247 -21.780
  442    HA   TYR  67           HA       TYR  67   2.429 -11.022 -22.223
  443   1HB   TYR  67          2HB       TYR  67   0.870 -10.079 -20.106
  444   2HB   TYR  67          1HB       TYR  67  -0.221 -10.111 -21.489
  445    HD1  TYR  67           HD1      TYR  67   0.047 -11.977 -18.889
  446    HD2  TYR  67           HD2      TYR  67   1.109 -12.354 -23.034
  447    HE1  TYR  67           HE1      TYR  67  -0.127 -14.445 -18.709
  448    HE2  TYR  67           HE2      TYR  67   0.936 -14.821 -22.855
  449    HH   TYR  67           HH       TYR  67   0.704 -16.550 -21.450
  450    H    HIS  68           HN       HIS  68   3.100  -9.514 -24.147
  451    HA   HIS  68           HA       HIS  68   0.588  -8.831 -25.616
  452   1HB   HIS  68          2HB       HIS  68   2.307  -7.118 -26.778
  453   2HB   HIS  68          1HB       HIS  68   1.345  -6.672 -25.371
  454    HD1  HIS  68           HD1      HIS  68   4.821  -7.883 -26.289
  455    HD2  HIS  68           HD2      HIS  68   2.834  -6.154 -23.057
  456    HE1  HIS  68           HE1      HIS  68   6.602  -7.277 -24.593
  Start of MODEL   13
    1   1H    GLY   1          1HT       GLY   1   8.442  -4.456   3.287
    2   2H    GLY   1          2HT       GLY   1   7.565  -5.135   4.574
    3   3H    GLY   1          3HT       GLY   1   6.905  -3.854   3.674
    4   1HA   GLY   1          1HA       GLY   1   6.855  -6.664   3.150
    5   2HA   GLY   1          2HA       GLY   1   5.866  -5.378   2.460
    6    H    LYS   2           H        LYS   2   6.063  -5.671   0.270
    7    HA   LYS   2           HA       LYS   2   8.210  -6.764  -1.145
    8   1HB   LYS   2          2HB       LYS   2   6.076  -6.303  -2.222
    9   2HB   LYS   2          1HB       LYS   2   6.320  -4.568  -2.021
   10   1HG   LYS   2          2HG       LYS   2   7.156  -4.717  -4.143
   11   2HG   LYS   2          1HG       LYS   2   8.621  -5.223  -3.300
   12   1HD   LYS   2          2HD       LYS   2   6.642  -7.366  -3.835
   13   2HD   LYS   2          1HD       LYS   2   7.449  -6.696  -5.254
   14   1HE   LYS   2          2HE       LYS   2   8.917  -7.661  -2.785
   15   2HE   LYS   2          1HE       LYS   2   8.656  -8.652  -4.220
   16   1HZ   LYS   2          1HZ       LYS   2   9.766  -6.000  -4.663
   17   2HZ   LYS   2          2HZ       LYS   2  10.136  -7.476  -5.420
   18   3HZ   LYS   2          3HZ       LYS   2  10.785  -7.115  -3.891
   19    H    GLU   3           H        GLU   3   7.809  -3.444  -2.024
   20    HA   GLU   3           HA       GLU   3  10.365  -2.661  -0.772
   21   1HB   GLU   3          2HB       GLU   3  10.272  -3.619  -3.425
   22   2HB   GLU   3          1HB       GLU   3  10.460  -1.869  -3.529
   23   1HG   GLU   3          2HG       GLU   3  12.198  -2.491  -1.500
   24   2HG   GLU   3          1HG       GLU   3  12.352  -3.902  -2.548
   25    H    CYS   4           H        CYS   4  10.720  -0.365  -2.447
   26    HA   CYS   4           HA       CYS   4   9.075   1.474  -1.098
   27   1HB   CYS   4          2HB       CYS   4  11.140   2.218  -2.059
   28   2HB   CYS   4          1HB       CYS   4  10.585   1.788  -3.651
   29    H    ASP   5           H        ASP   5   6.868   0.840  -1.325
   30    HA   ASP   5           HA       ASP   5   5.497   0.199  -3.673
   31   1HB   ASP   5          2HB       ASP   5   4.508   0.170  -1.378
   32   2HB   ASP   5          1HB       ASP   5   4.427   1.932  -1.423
   33    H    CYS   6           H        CYS   6   6.256   3.441  -2.402
   34    HA   CYS   6           HA       CYS   6   6.051   4.515  -5.127
   35   1HB   CYS   6          2HB       CYS   6   3.924   5.206  -4.898
   36   2HB   CYS   6          1HB       CYS   6   3.909   4.779  -3.204
   37    H    SER   7           H        SER   7   6.961   6.735  -5.229
   38    HA   SER   7           HA       SER   7   8.825   7.206  -2.946
   39   1HB   SER   7          2HB       SER   7   9.237   7.079  -5.768
   40   2HB   SER   7          1HB       SER   7   9.603   8.712  -5.223
   41    HG   SER   7           HG       SER   7  11.289   6.941  -5.095
   42    H    SER   8           H        SER   8   6.185   8.550  -4.708
   43    HA   SER   8           HA       SER   8   6.693  11.326  -4.293
   44   1HB   SER   8          2HB       SER   8   4.496   9.684  -5.174
   45   2HB   SER   8          1HB       SER   8   3.915  10.948  -4.098
   46    HG   SER   8           HG       SER   8   5.521  12.244  -5.523
   47    HA   PRO   9           HA       PRO   9   6.195  11.182   0.150
   48   1HB   PRO   9          2HB       PRO   9   6.896  13.811   0.558
   49   2HB   PRO   9          1HB       PRO   9   8.072  12.509   0.306
   50   1HG   PRO   9          2HG       PRO   9   7.207  14.650  -1.582
   51   2HG   PRO   9          1HG       PRO   9   8.739  13.763  -1.516
   52   1HD   PRO   9          2HD       PRO   9   6.620  13.275  -3.329
   53   2HD   PRO   9          1HD       PRO   9   8.003  12.201  -3.024
   54    H    GLU  10           H        GLU  10   4.629  13.338  -2.102
   55    HA   GLU  10           HA       GLU  10   2.789  14.476  -0.127
   56   1HB   GLU  10          2HB       GLU  10   3.591  15.221  -2.660
   57   2HB   GLU  10          1HB       GLU  10   1.982  14.562  -2.958
   58   1HG   GLU  10          2HG       GLU  10   0.969  16.080  -1.420
   59   2HG   GLU  10          1HG       GLU  10   2.531  16.559  -0.753
   60    H    ASN  11           H        ASN  11   2.977  11.706  -2.184
   61    HA   ASN  11           HA       ASN  11   0.201  11.047  -2.348
   62   1HB   ASN  11          2HB       ASN  11   2.394  10.065  -3.520
   63   2HB   ASN  11          1HB       ASN  11   2.264   8.894  -2.211
   64   1HD2  ASN  11          1HD2      ASN  11   1.865   8.064  -4.885
   65   2HD2  ASN  11          2HD2      ASN  11   0.231   7.670  -5.108
   66    HA   PRO  12           HA       PRO  12  -0.107   9.913   1.980
   67   1HB   PRO  12          2HB       PRO  12  -2.826   9.503   1.929
   68   2HB   PRO  12          1HB       PRO  12  -2.078  11.105   2.057
   69   1HG   PRO  12          2HG       PRO  12  -3.399   9.835  -0.297
   70   2HG   PRO  12          1HG       PRO  12  -3.226  11.552   0.102
   71   1HD   PRO  12          2HD       PRO  12  -1.673  10.129  -1.786
   72   2HD   PRO  12          1HD       PRO  12  -1.295  11.734  -1.123
   73    H    CYS  13           H        CYS  13  -1.129   8.058  -0.803
   74    HA   CYS  13           HA       CYS  13  -1.847   5.646   0.633
   75   1HB   CYS  13          2HB       CYS  13  -1.166   6.263  -2.236
   76   2HB   CYS  13          1HB       CYS  13  -1.402   4.604  -1.698
   77    H    CYS  14           H        CYS  14   1.165   7.086  -0.331
   78    HA   CYS  14           HA       CYS  14   2.522   4.582   0.561
   79   1HB   CYS  14          2HB       CYS  14   4.225   4.870  -1.047
   80   2HB   CYS  14          1HB       CYS  14   2.728   5.205  -1.914
   81    H    ASP  15           H        ASP  15   4.597   4.903   1.586
   82    HA   ASP  15           HA       ASP  15   4.706   7.479   3.082
   83   1HB   ASP  15          2HB       ASP  15   4.368   5.016   4.135
   84   2HB   ASP  15          1HB       ASP  15   6.122   5.101   4.097
   85    H    ALA  16           H        ALA  16   6.503   8.696   2.760
   86    HA   ALA  16           HA       ALA  16   8.602   7.731   0.995
   87   1HB   ALA  16          1HB       ALA  16   7.727  10.088   0.967
   88   2HB   ALA  16          2HB       ALA  16   9.480   9.984   1.128
   89   3HB   ALA  16          3HB       ALA  16   8.483  10.332   2.541
   90    H    ALA  17           H        ALA  17   8.211   8.300   4.453
   91    HA   ALA  17           HA       ALA  17  10.952   8.242   5.214
   92   1HB   ALA  17          1HB       ALA  17   8.892   6.882   6.917
   93   2HB   ALA  17          2HB       ALA  17   8.730   8.613   6.619
   94   3HB   ALA  17          3HB       ALA  17  10.185   7.984   7.394
   95    H    THR  18           H        THR  18   8.750   5.725   4.233
   96    HA   THR  18           HA       THR  18  10.979   3.755   4.522
   97    HB   THR  18           HB       THR  18   9.489   2.076   5.258
   98    HG1  THR  18           HG1      THR  18   7.217   2.411   5.158
   99   1HG2  THR  18          1HG2      THR  18   9.840   4.217   6.790
  100   2HG2  THR  18          2HG2      THR  18   8.763   2.913   7.288
  101   3HG2  THR  18          3HG2      THR  18   8.098   4.377   6.564
  102    H    CYS  19           H        CYS  19   9.171   5.479   2.397
  103    HA   CYS  19           HA       CYS  19   8.714   5.217   0.093
  104   1HB   CYS  19          2HB       CYS  19  11.167   4.049   0.626
  105   2HB   CYS  19          1HB       CYS  19  10.288   2.840  -0.312
  106    H    LYS  20           H        LYS  20   7.473   3.245   2.331
  107    HA   LYS  20           HA       LYS  20   6.177   1.535   0.245
  108   1HB   LYS  20          2HB       LYS  20   6.696   0.761   3.126
  109   2HB   LYS  20          1HB       LYS  20   5.968  -0.254   1.879
  110   1HG   LYS  20          2HG       LYS  20   7.979  -0.773   0.968
  111   2HG   LYS  20          1HG       LYS  20   8.553   0.890   1.080
  112   1HD   LYS  20          2HD       LYS  20   9.959  -0.208   2.592
  113   2HD   LYS  20          1HD       LYS  20   8.682   0.395   3.650
  114   1HE   LYS  20          2HE       LYS  20   7.707  -2.057   2.740
  115   2HE   LYS  20          1HE       LYS  20   9.419  -2.357   3.036
  116   1HZ   LYS  20          1HZ       LYS  20   7.300  -1.701   4.907
  117   2HZ   LYS  20          2HZ       LYS  20   8.789  -0.932   5.188
  118   3HZ   LYS  20          3HZ       LYS  20   8.702  -2.628   5.135
  119    H    LEU  21           H        LEU  21   3.972   0.973   0.613
  120    HA   LEU  21           HA       LEU  21   2.132   2.891   1.083
  121   1HB   LEU  21          2HB       LEU  21   2.037  -0.037   1.722
  122   2HB   LEU  21          1HB       LEU  21   0.651   0.991   2.092
  123    HG   LEU  21           HG       LEU  21   1.937   1.105  -0.626
  124   1HD1  LEU  21          1HD1      LEU  21   0.320  -1.078   0.550
  125   2HD1  LEU  21          2HD1      LEU  21   1.426  -1.110  -0.822
  126   3HD1  LEU  21          3HD1      LEU  21  -0.216  -0.502  -1.027
  127   1HD2  LEU  21          1HD2      LEU  21  -0.861   1.324  -0.725
  128   2HD2  LEU  21          2HD2      LEU  21   0.306   2.641  -0.852
  129   3HD2  LEU  21          3HD2      LEU  21  -0.380   2.219   0.718
  130    H    ARG  22           H        ARG  22   1.552   4.190   2.712
  131    HA   ARG  22           HA       ARG  22   2.660   3.694   5.395
  132   1HB   ARG  22          2HB       ARG  22   2.925   5.940   4.906
  133   2HB   ARG  22          1HB       ARG  22   1.423   6.038   3.997
  134   1HG   ARG  22          2HG       ARG  22   0.160   5.812   6.149
  135   2HG   ARG  22          1HG       ARG  22   1.697   5.853   7.013
  136   1HD   ARG  22          2HD       ARG  22   2.140   8.071   5.799
  137   2HD   ARG  22          1HD       ARG  22   0.433   8.042   5.356
  138    HE   ARG  22           HE       ARG  22  -0.087   8.619   7.582
  139   1HH1  ARG  22          1HH1      ARG  22   3.010   9.358   7.437
  140   2HH1  ARG  22          2HH1      ARG  22   3.481   8.819   9.014
  141   1HH2  ARG  22          1HH2      ARG  22   0.547   7.059   9.578
  142   2HH2  ARG  22          2HH2      ARG  22   2.086   7.517  10.227
  143    HA   PRO  23           HA       PRO  23  -2.006   3.592   6.372
  144   1HB   PRO  23          2HB       PRO  23  -3.763   3.550   4.264
  145   2HB   PRO  23          1HB       PRO  23  -3.192   5.044   5.028
  146   1HG   PRO  23          2HG       PRO  23  -2.446   3.884   2.391
  147   2HG   PRO  23          1HG       PRO  23  -2.377   5.569   2.936
  148   1HD   PRO  23          2HD       PRO  23  -0.190   3.761   2.741
  149   2HD   PRO  23          1HD       PRO  23  -0.173   5.365   3.504
  150    H    GLY  24           H        GLY  24  -3.987   1.934   5.739
  151   1HA   GLY  24          2HA       GLY  24  -2.640  -0.663   5.343
  152   2HA   GLY  24          1HA       GLY  24  -4.303  -0.431   5.888
  153    H    ALA  25           H        ALA  25  -3.395   1.470   3.190
  154    HA   ALA  25           HA       ALA  25  -5.377   0.375   1.483
  155   1HB   ALA  25          1HB       ALA  25  -4.170   1.627  -0.330
  156   2HB   ALA  25          2HB       ALA  25  -2.886   1.974   0.827
  157   3HB   ALA  25          3HB       ALA  25  -4.509   2.607   1.095
  158    H    GLN  26           H        GLN  26  -4.511  -0.387  -0.888
  159    HA   GLN  26           HA       GLN  26  -2.703  -2.697  -0.337
  160   1HB   GLN  26          2HB       GLN  26  -4.839  -2.533  -2.439
  161   2HB   GLN  26          1HB       GLN  26  -3.932  -3.961  -1.968
  162   1HG   GLN  26          2HG       GLN  26  -4.989  -3.086   0.433
  163   2HG   GLN  26          1HG       GLN  26  -6.288  -2.753  -0.711
  164   1HE2  GLN  26          1HE2      GLN  26  -7.681  -4.499  -0.927
  165   2HE2  GLN  26          2HE2      GLN  26  -7.232  -6.132  -0.808
  166    H    CYS  27           H        CYS  27  -2.520   0.231  -1.675
  167    HA   CYS  27           HA       CYS  27  -0.251  -0.348  -3.283
  168   1HB   CYS  27          2HB       CYS  27  -1.100  -0.108  -5.525
  169   2HB   CYS  27          1HB       CYS  27  -2.047  -1.369  -4.736
  170    H    GLY  28           H        GLY  28   0.612   1.593  -4.301
  171   1HA   GLY  28          2HA       GLY  28  -0.729   4.083  -3.329
  172   2HA   GLY  28          1HA       GLY  28   1.019   3.873  -3.283
  173    H    GLU  29           H        GLU  29   0.783   2.414  -5.969
  174    HA   GLU  29           HA       GLU  29  -0.259   4.192  -7.928
  175   1HB   GLU  29          2HB       GLU  29   1.691   5.431  -8.620
  176   2HB   GLU  29          1HB       GLU  29   1.497   5.690  -6.884
  177   1HG   GLU  29          2HG       GLU  29   3.674   5.066  -6.756
  178   2HG   GLU  29          1HG       GLU  29   3.044   3.427  -6.929
  179    H    GLY  30           H        GLY  30  -0.428   2.877  -9.675
  180   1HA   GLY  30          2HA       GLY  30   1.793   1.403 -10.747
  181   2HA   GLY  30          1HA       GLY  30   0.687   0.319  -9.903
  182    H    LEU  31           H        LEU  31   0.899  -0.156 -12.550
  183    HA   LEU  31           HA       LEU  31  -0.752   1.361 -14.295
  184   1HB   LEU  31          2HB       LEU  31   0.497  -1.261 -14.301
  185   2HB   LEU  31          1HB       LEU  31  -1.020  -1.235 -15.189
  186    HG   LEU  31           HG       LEU  31   1.053  -0.647 -16.544
  187   1HD1  LEU  31          1HD1      LEU  31  -0.457   1.807 -16.815
  188   2HD1  LEU  31          2HD1      LEU  31  -1.546   0.448 -16.542
  189   3HD1  LEU  31          3HD1      LEU  31  -0.411   0.411 -17.890
  190   1HD2  LEU  31          1HD2      LEU  31   0.888   2.064 -15.267
  191   2HD2  LEU  31          2HD2      LEU  31   2.235   1.317 -16.125
  192   3HD2  LEU  31          3HD2      LEU  31   1.849   0.811 -14.480
  193    H    CYS  32           H        CYS  32  -1.572  -0.586 -11.626
  194    HA   CYS  32           HA       CYS  32  -4.441  -0.282 -12.269
  195   1HB   CYS  32          2HB       CYS  32  -3.582  -2.970 -11.260
  196   2HB   CYS  32          1HB       CYS  32  -4.993  -2.536 -12.223
  197    H    CYS  33           H        CYS  33  -3.551   1.299 -10.430
  198    HA   CYS  33           HA       CYS  33  -4.016  -0.096  -7.825
  199   1HB   CYS  33          2HB       CYS  33  -1.747   0.600  -7.745
  200   2HB   CYS  33          1HB       CYS  33  -2.102   2.139  -8.520
  201    H    GLU  34           H        GLU  34  -6.029   0.454  -7.156
  202    HA   GLU  34           HA       GLU  34  -7.371   2.873  -8.032
  203   1HB   GLU  34          2HB       GLU  34  -8.147   0.452  -6.874
  204   2HB   GLU  34          1HB       GLU  34  -8.488   1.663  -5.642
  205   1HG   GLU  34          2HG       GLU  34  -9.781   2.982  -7.246
  206   2HG   GLU  34          1HG       GLU  34  -9.388   1.839  -8.530
  207    H    GLN  35           H        GLN  35  -8.489   4.124  -5.970
  208    HA   GLN  35           HA       GLN  35  -6.393   5.677  -4.826
  209   1HB   GLN  35          2HB       GLN  35  -9.136   5.438  -3.594
  210   2HB   GLN  35          1HB       GLN  35  -8.087   6.853  -3.671
  211   1HG   GLN  35          2HG       GLN  35  -9.047   7.480  -5.603
  212   2HG   GLN  35          1HG       GLN  35  -8.584   5.949  -6.344
  213   1HE2  GLN  35          1HE2      GLN  35 -11.230   7.680  -4.786
  214   2HE2  GLN  35          2HE2      GLN  35 -12.419   6.505  -5.081
  215    H    CYS  36           H        CYS  36  -4.952   4.138  -3.815
  216    HA   CYS  36           HA       CYS  36  -4.114   3.000  -1.934
  217   1HB   CYS  36          2HB       CYS  36  -6.337   4.648  -0.895
  218   2HB   CYS  36          1HB       CYS  36  -5.919   3.254   0.095
  219    H    LYS  37           H        LYS  37  -5.631   1.505  -3.832
  220    HA   LYS  37           HA       LYS  37  -6.441  -0.733  -2.124
  221   1HB   LYS  37          2HB       LYS  37  -8.419   1.040  -3.414
  222   2HB   LYS  37          1HB       LYS  37  -8.669  -0.681  -3.708
  223   1HG   LYS  37          2HG       LYS  37  -8.024  -0.505  -0.984
  224   2HG   LYS  37          1HG       LYS  37  -9.123   0.843  -1.279
  225   1HD   LYS  37          2HD       LYS  37 -10.841  -0.576  -2.070
  226   2HD   LYS  37          1HD       LYS  37  -9.730  -1.923  -2.318
  227   1HE   LYS  37          2HE       LYS  37  -9.881  -0.881   0.453
  228   2HE   LYS  37          1HE       LYS  37 -11.329  -1.698  -0.136
  229   1HZ   LYS  37          1HZ       LYS  37  -9.018  -3.137  -0.897
  230   2HZ   LYS  37          2HZ       LYS  37 -10.324  -3.644   0.066
  231   3HZ   LYS  37          3HZ       LYS  37  -8.991  -2.866   0.777
  232    H    PHE  38           H        PHE  38  -6.772  -2.701  -3.384
  233    HA   PHE  38           HA       PHE  38  -5.031  -2.875  -5.680
  234   1HB   PHE  38          2HB       PHE  38  -6.881  -4.749  -4.241
  235   2HB   PHE  38          1HB       PHE  38  -6.293  -5.202  -5.840
  236    HD1  PHE  38           HD1      PHE  38  -3.586  -4.060  -5.879
  237    HD2  PHE  38           HD2      PHE  38  -5.681  -6.076  -2.717
  238    HE1  PHE  38           HE1      PHE  38  -1.421  -4.757  -4.888
  239    HE2  PHE  38           HE2      PHE  38  -3.517  -6.772  -1.726
  240    HZ   PHE  38           HZ       PHE  38  -1.387  -6.114  -2.812
  241    H    SER  39           H        SER  39  -5.562  -2.321  -7.745
  242    HA   SER  39           HA       SER  39  -8.078  -1.360  -8.562
  243   1HB   SER  39          2HB       SER  39  -7.282  -1.825 -10.895
  244   2HB   SER  39          1HB       SER  39  -6.094  -0.973  -9.914
  245    HG   SER  39           HG       SER  39  -6.063  -3.534 -10.952
  246    H    ARG  40           H        ARG  40  -9.681  -2.400 -10.006
  247    HA   ARG  40           HA       ARG  40 -10.365  -5.052  -9.066
  248   1HB   ARG  40          2HB       ARG  40 -11.665  -3.540 -11.305
  249   2HB   ARG  40          1HB       ARG  40 -12.385  -4.799 -10.312
  250   1HG   ARG  40          2HG       ARG  40 -11.310  -2.363  -8.947
  251   2HG   ARG  40          1HG       ARG  40 -12.845  -2.226  -9.805
  252   1HD   ARG  40          2HD       ARG  40 -13.115  -4.611  -8.421
  253   2HD   ARG  40          1HD       ARG  40 -12.240  -3.586  -7.283
  254    HE   ARG  40           HE       ARG  40 -14.958  -3.056  -8.348
  255   1HH1  ARG  40          1HH1      ARG  40 -13.787  -3.257  -5.431
  256   2HH1  ARG  40          2HH1      ARG  40 -13.968  -1.606  -4.941
  257   1HH2  ARG  40          1HH2      ARG  40 -14.536  -0.438  -8.156
  258   2HH2  ARG  40          2HH2      ARG  40 -14.393  -0.010  -6.484
  259    H    ALA  41           H        ALA  41 -10.204  -6.990 -10.218
  260    HA   ALA  41           HA       ALA  41  -8.162  -7.315 -12.124
  261   1HB   ALA  41          1HB       ALA  41  -9.556  -9.429 -12.779
  262   2HB   ALA  41          2HB       ALA  41 -10.605  -8.940 -11.448
  263   3HB   ALA  41          3HB       ALA  41  -8.909  -9.315 -11.142
  264    H    GLY  42           H        GLY  42  -8.875  -8.393 -14.431
  265   1HA   GLY  42          2HA       GLY  42  -9.568  -7.802 -16.597
  266   2HA   GLY  42          1HA       GLY  42 -11.074  -7.298 -15.831
  267    H    LYS  43           H        LYS  43  -8.135  -5.854 -14.703
  268    HA   LYS  43           HA       LYS  43  -9.078  -3.231 -15.596
  269   1HB   LYS  43          2HB       LYS  43  -8.127  -3.249 -13.413
  270   2HB   LYS  43          1HB       LYS  43  -6.724  -4.166 -13.953
  271   1HG   LYS  43          2HG       LYS  43  -5.905  -1.956 -13.766
  272   2HG   LYS  43          1HG       LYS  43  -6.234  -2.121 -15.484
  273   1HD   LYS  43          2HD       LYS  43  -8.491  -1.097 -15.097
  274   2HD   LYS  43          1HD       LYS  43  -8.023  -0.809 -13.422
  275   1HE   LYS  43          2HE       LYS  43  -5.903   0.313 -14.566
  276   2HE   LYS  43          1HE       LYS  43  -7.017   0.493 -15.922
  277   1HZ   LYS  43          1HZ       LYS  43  -7.009   1.810 -13.346
  278   2HZ   LYS  43          2HZ       LYS  43  -8.538   1.278 -13.866
  279   3HZ   LYS  43          3HZ       LYS  43  -7.629   2.337 -14.834
  280    H    ILE  44           H        ILE  44  -8.417  -2.256 -17.489
  281    HA   ILE  44           HA       ILE  44  -6.464  -3.659 -19.127
  282    HB   ILE  44           HB       ILE  44  -8.344  -1.420 -19.496
  283   1HG1  ILE  44          2HG1      ILE  44  -8.804  -3.691 -20.282
  284   2HG1  ILE  44          1HG1      ILE  44  -8.638  -2.605 -21.664
  285   1HG2  ILE  44          1HG2      ILE  44  -7.025  -0.982 -21.743
  286   2HG2  ILE  44          2HG2      ILE  44  -5.640  -1.512 -20.789
  287   3HG2  ILE  44          3HG2      ILE  44  -6.579  -0.110 -20.276
  288   1HD1  ILE  44          1HD1      ILE  44  -6.082  -3.317 -21.470
  289   2HD1  ILE  44          2HD1      ILE  44  -7.241  -4.321 -22.342
  290   3HD1  ILE  44          3HD1      ILE  44  -6.779  -4.739 -20.693
  291    H    CYS  45           H        CYS  45  -4.384  -3.510 -18.552
  292    HA   CYS  45           HA       CYS  45  -3.339  -0.911 -17.553
  293   1HB   CYS  45          2HB       CYS  45  -1.336  -2.318 -16.911
  294   2HB   CYS  45          1HB       CYS  45  -2.829  -2.755 -16.088
  295    H    ARG  46           H        ARG  46  -3.418  -2.923 -20.309
  296    HA   ARG  46           HA       ARG  46  -1.767  -1.075 -21.816
  297   1HB   ARG  46          2HB       ARG  46  -0.430  -3.234 -20.513
  298   2HB   ARG  46          1HB       ARG  46  -0.444  -3.577 -22.243
  299   1HG   ARG  46          2HG       ARG  46   0.609  -1.494 -22.762
  300   2HG   ARG  46          1HG       ARG  46   0.356  -0.883 -21.126
  301   1HD   ARG  46          2HD       ARG  46   1.762  -3.318 -20.841
  302   2HD   ARG  46          1HD       ARG  46   2.558  -2.442 -22.149
  303    HE   ARG  46           HE       ARG  46   2.279  -1.473 -19.350
  304   1HH1  ARG  46          1HH1      ARG  46   4.984  -1.880 -20.365
  305   2HH1  ARG  46          2HH1      ARG  46   5.438  -0.316 -20.953
  306   1HH2  ARG  46          1HH2      ARG  46   2.185   0.878 -21.063
  307   2HH2  ARG  46          2HH2      ARG  46   3.852   1.246 -21.348
  308    H    ILE  47           H        ILE  47  -1.048  -2.907 -23.887
  309    HA   ILE  47           HA       ILE  47  -3.616  -4.173 -24.666
  310    HB   ILE  47           HB       ILE  47  -3.792  -1.908 -25.546
  311   1HG1  ILE  47          2HG1      ILE  47  -2.911  -3.678 -27.836
  312   2HG1  ILE  47          1HG1      ILE  47  -4.426  -3.939 -26.970
  313   1HG2  ILE  47          1HG2      ILE  47  -2.086  -0.976 -27.023
  314   2HG2  ILE  47          2HG2      ILE  47  -1.134  -2.456 -26.900
  315   3HG2  ILE  47          3HG2      ILE  47  -1.345  -1.423 -25.487
  316   1HD1  ILE  47          1HD1      ILE  47  -4.516  -1.238 -27.466
  317   2HD1  ILE  47          2HD1      ILE  47  -5.305  -2.466 -28.455
  318   3HD1  ILE  47          3HD1      ILE  47  -3.718  -1.849 -28.915
  319    H    ALA  48           H        ALA  48  -3.300  -5.967 -25.971
  320    HA   ALA  48           HA       ALA  48  -0.900  -7.354 -26.023
  321   1HB   ALA  48          1HB       ALA  48  -1.855  -8.345 -28.260
  322   2HB   ALA  48          2HB       ALA  48  -3.258  -7.344 -27.891
  323   3HB   ALA  48          3HB       ALA  48  -2.747  -8.593 -26.759
  324    H    LYS  49           H        LYS  49   0.659  -7.717 -27.805
  325    HA   LYS  49           HA       LYS  49   1.417  -5.170 -29.062
  326   1HB   LYS  49          2HB       LYS  49   2.798  -7.832 -29.256
  327   2HB   LYS  49          1HB       LYS  49   3.491  -6.255 -29.608
  328   1HG   LYS  49          2HG       LYS  49   2.340  -6.429 -26.917
  329   2HG   LYS  49          1HG       LYS  49   3.660  -7.569 -27.177
  330   1HD   LYS  49          2HD       LYS  49   4.566  -5.451 -26.362
  331   2HD   LYS  49          1HD       LYS  49   5.065  -5.700 -28.036
  332   1HE   LYS  49          2HE       LYS  49   3.415  -4.167 -28.851
  333   2HE   LYS  49          1HE       LYS  49   2.608  -4.101 -27.284
  334   1HZ   LYS  49          1HZ       LYS  49   4.642  -2.462 -28.208
  335   2HZ   LYS  49          2HZ       LYS  49   5.331  -3.427 -26.992
  336   3HZ   LYS  49          3HZ       LYS  49   3.960  -2.483 -26.656
  337    H    GLY  50           H        GLY  50  -0.656  -7.589 -29.831
  338   1HA   GLY  50          2HA       GLY  50  -0.661  -6.862 -32.638
  339   2HA   GLY  50          1HA       GLY  50  -0.226  -8.544 -32.352
  340    H    ASP  51           H        ASP  51  -1.817  -9.609 -30.653
  341    HA   ASP  51           HA       ASP  51  -4.443  -8.728 -30.248
  342   1HB   ASP  51          2HB       ASP  51  -3.954  -9.384 -32.993
  343   2HB   ASP  51          1HB       ASP  51  -5.086 -10.549 -32.310
  344    H    TRP  52           H        TRP  52  -4.533 -10.002 -28.431
  345    HA   TRP  52           HA       TRP  52  -5.208 -12.738 -28.586
  346   1HB   TRP  52          2HB       TRP  52  -2.875 -13.388 -27.338
  347   2HB   TRP  52          1HB       TRP  52  -3.165 -13.636 -29.058
  348    HD1  TRP  52           HD1      TRP  52  -2.376 -10.341 -27.212
  349    HE1  TRP  52           HE1      TRP  52  -0.275  -9.295 -28.283
  350    HE3  TRP  52           HE3      TRP  52  -1.215 -13.978 -30.582
  351    HZ2  TRP  52           HZ2      TRP  52   1.639  -9.920 -30.314
  352    HZ3  TRP  52           HZ3      TRP  52   0.747 -13.735 -32.078
  353    HH2  TRP  52           HH2      TRP  52   2.173 -11.709 -31.949
  354    H    ASN  53           H        ASN  53  -6.492 -11.071 -27.137
  355    HA   ASN  53           HA       ASN  53  -7.306 -10.805 -24.943
  356   1HB   ASN  53          2HB       ASN  53  -5.536 -13.026 -24.748
  357   2HB   ASN  53          1HB       ASN  53  -5.194 -11.963 -23.383
  358   1HD2  ASN  53          1HD2      ASN  53  -6.356 -12.816 -21.638
  359   2HD2  ASN  53          2HD2      ASN  53  -7.995 -13.255 -21.693
  360    H    ASP  54           H        ASP  54  -7.108  -8.694 -24.368
  361    HA   ASP  54           HA       ASP  54  -4.664  -7.208 -24.414
  362   1HB   ASP  54          2HB       ASP  54  -7.426  -6.720 -23.794
  363   2HB   ASP  54          1HB       ASP  54  -6.406  -5.988 -22.557
  364    H    ASP  55           H        ASP  55  -3.704  -6.171 -22.400
  365    HA   ASP  55           HA       ASP  55  -3.151  -8.296 -20.449
  366   1HB   ASP  55          2HB       ASP  55  -1.691  -6.155 -21.498
  367   2HB   ASP  55          1HB       ASP  55  -1.993  -5.720 -19.819
  368    H    ARG  56           H        ARG  56  -4.889  -8.527 -19.065
  369    HA   ARG  56           HA       ARG  56  -6.069  -6.113 -17.825
  370   1HB   ARG  56          2HB       ARG  56  -6.883  -8.954 -17.351
  371   2HB   ARG  56          1HB       ARG  56  -7.836  -7.500 -17.102
  372   1HG   ARG  56          2HG       ARG  56  -6.856  -7.767 -19.851
  373   2HG   ARG  56          1HG       ARG  56  -7.917  -9.091 -19.367
  374   1HD   ARG  56          2HD       ARG  56  -9.705  -7.621 -18.858
  375   2HD   ARG  56          1HD       ARG  56  -8.648  -6.210 -18.835
  376    HE   ARG  56           HE       ARG  56  -8.508  -7.307 -21.439
  377   1HH1  ARG  56          1HH1      ARG  56 -11.277  -6.804 -19.579
  378   2HH1  ARG  56          2HH1      ARG  56 -12.037  -5.721 -20.697
  379   1HH2  ARG  56          1HH2      ARG  56  -9.270  -5.506 -22.776
  380   2HH2  ARG  56          2HH2      ARG  56 -10.900  -4.986 -22.508
  381    H    CYS  57           H        CYS  57  -6.087  -5.866 -15.514
  382    HA   CYS  57           HA       CYS  57  -3.765  -7.143 -14.212
  383   1HB   CYS  57          2HB       CYS  57  -5.584  -5.165 -12.860
  384   2HB   CYS  57          1HB       CYS  57  -3.855  -5.418 -12.631
  385    H    THR  58           H        THR  58  -4.072  -8.135 -12.065
  386    HA   THR  58           HA       THR  58  -6.516  -9.760 -12.003
  387    HB   THR  58           HB       THR  58  -5.412 -11.058 -10.342
  388    HG1  THR  58           HG1      THR  58  -3.307 -10.014  -9.565
  389   1HG2  THR  58          1HG2      THR  58  -3.142 -11.403 -11.287
  390   2HG2  THR  58          2HG2      THR  58  -3.306  -9.898 -12.190
  391   3HG2  THR  58          3HG2      THR  58  -4.365 -11.262 -12.548
  392    H    GLY  59           H        GLY  59  -7.331 -10.078  -9.542
  393   1HA   GLY  59          2HA       GLY  59  -8.362  -7.436  -8.775
  394   2HA   GLY  59          1HA       GLY  59  -8.856  -8.982  -8.084
  395    H    GLN  60           H        GLN  60  -5.477  -8.672  -8.261
  396    HA   GLN  60           HA       GLN  60  -5.232  -7.406  -5.600
  397   1HB   GLN  60          2HB       GLN  60  -4.686 -10.303  -6.196
  398   2HB   GLN  60          1HB       GLN  60  -3.742  -9.464  -4.964
  399   1HG   GLN  60          2HG       GLN  60  -6.348  -8.696  -4.399
  400   2HG   GLN  60          1HG       GLN  60  -6.515 -10.389  -4.865
  401   1HE2  GLN  60          1HE2      GLN  60  -6.725 -11.378  -2.808
  402   2HE2  GLN  60          2HE2      GLN  60  -5.554 -11.261  -1.584
  403    H    SER  61           H        SER  61  -4.315  -6.960  -8.461
  404    HA   SER  61           HA       SER  61  -1.376  -6.919  -7.885
  405   1HB   SER  61          2HB       SER  61  -1.365  -8.250  -9.754
  406   2HB   SER  61          1HB       SER  61  -2.912  -7.636 -10.327
  407    HG   SER  61           HG       SER  61  -0.357  -6.777 -10.842
  408    H    ALA  62           H        ALA  62  -0.332  -4.957  -8.138
  409    HA   ALA  62           HA       ALA  62  -2.073  -2.627  -8.816
  410   1HB   ALA  62          1HB       ALA  62  -1.052  -2.541  -6.576
  411   2HB   ALA  62          2HB       ALA  62  -0.381  -1.275  -7.605
  412   3HB   ALA  62          3HB       ALA  62   0.549  -2.739  -7.289
  413    H    ASP  63           H        ASP  63   0.475  -4.543  -9.997
  414    HA   ASP  63           HA       ASP  63   1.350  -2.361 -11.838
  415   1HB   ASP  63          2HB       ASP  63   2.805  -4.948 -11.521
  416   2HB   ASP  63          1HB       ASP  63   3.436  -3.387 -12.025
  417    H    CYS  64           H        CYS  64   2.288  -3.717 -13.969
  418    HA   CYS  64           HA       CYS  64   0.133  -5.608 -14.772
  419   1HB   CYS  64          2HB       CYS  64  -0.570  -3.445 -15.635
  420   2HB   CYS  64          1HB       CYS  64   1.020  -3.174 -16.346
  421    HA   PRO  65           HA       PRO  65   3.816  -7.618 -16.198
  422   1HB   PRO  65          2HB       PRO  65   2.543 -10.020 -16.538
  423   2HB   PRO  65          1HB       PRO  65   3.133  -9.456 -14.976
  424   1HG   PRO  65          2HG       PRO  65   0.352  -9.669 -15.984
  425   2HG   PRO  65          1HG       PRO  65   0.937  -9.607 -14.313
  426   1HD   PRO  65          2HD       PRO  65  -0.223  -7.467 -15.797
  427   2HD   PRO  65          1HD       PRO  65   0.536  -7.364 -14.195
  428    H    ARG  66           H        ARG  66   3.353  -9.749 -18.138
  429    HA   ARG  66           HA       ARG  66   1.755  -8.716 -20.315
  430   1HB   ARG  66          2HB       ARG  66   4.622  -8.031 -20.121
  431   2HB   ARG  66          1HB       ARG  66   4.115  -8.676 -21.683
  432   1HG   ARG  66          2HG       ARG  66   2.105  -6.849 -20.855
  433   2HG   ARG  66          1HG       ARG  66   3.658  -6.053 -20.601
  434   1HD   ARG  66          2HD       ARG  66   3.792  -7.429 -23.095
  435   2HD   ARG  66          1HD       ARG  66   2.287  -6.509 -23.071
  436    HE   ARG  66           HE       ARG  66   3.562  -4.503 -23.043
  437   1HH1  ARG  66          1HH1      ARG  66   5.477  -5.820 -20.926
  438   2HH1  ARG  66          2HH1      ARG  66   6.985  -5.647 -21.760
  439   1HH2  ARG  66          1HH2      ARG  66   5.519  -4.910 -24.812
  440   2HH2  ARG  66          2HH2      ARG  66   7.008  -5.133 -23.957
  441    H    TYR  67           H        TYR  67   1.009 -10.593 -21.164
  442    HA   TYR  67           HA       TYR  67   2.173 -13.142 -20.729
  443   1HB   TYR  67          2HB       TYR  67  -0.150 -12.141 -21.950
  444   2HB   TYR  67          1HB       TYR  67   0.681 -13.068 -23.195
  445    HD1  TYR  67           HD1      TYR  67  -0.126 -15.239 -23.357
  446    HD2  TYR  67           HD2      TYR  67   0.275 -13.439 -19.478
  447    HE1  TYR  67           HE1      TYR  67  -0.875 -17.352 -22.299
  448    HE2  TYR  67           HE2      TYR  67  -0.474 -15.553 -18.420
  449    HH   TYR  67           HH       TYR  67  -1.325 -17.586 -18.779
  450    H    HIS  68           HN       HIS  68   2.702 -10.752 -23.249
  451    HA   HIS  68           HA       HIS  68   5.078 -12.249 -24.128
  452   1HB   HIS  68          2HB       HIS  68   2.697 -12.680 -25.488
  453   2HB   HIS  68          1HB       HIS  68   3.491 -11.435 -26.452
  454    HD1  HIS  68           HD1      HIS  68   4.749 -14.562 -24.640
  455    HD2  HIS  68           HD2      HIS  68   5.058 -12.677 -28.344
  456    HE1  HIS  68           HE1      HIS  68   6.295 -15.993 -26.045
  Start of MODEL   14
    1   1H    GLY   1          1HT       GLY   1  16.078  -3.800   1.035
    2   2H    GLY   1          2HT       GLY   1  14.757  -4.331   1.963
    3   3H    GLY   1          3HT       GLY   1  16.343  -4.701   2.447
    4   1HA   GLY   1          1HA       GLY   1  15.483  -2.925   3.810
    5   2HA   GLY   1          2HA       GLY   1  16.797  -2.337   2.791
    6    H    LYS   2           H        LYS   2  16.134  -0.214   2.473
    7    HA   LYS   2           HA       LYS   2  14.906   1.535   1.503
    8   1HB   LYS   2          2HB       LYS   2  13.206  -0.555   0.141
    9   2HB   LYS   2          1HB       LYS   2  13.632   1.058  -0.433
   10   1HG   LYS   2          2HG       LYS   2  15.455  -1.347  -0.188
   11   2HG   LYS   2          1HG       LYS   2  14.986  -0.504  -1.665
   12   1HD   LYS   2          2HD       LYS   2  16.081   1.572  -0.688
   13   2HD   LYS   2          1HD       LYS   2  16.745   0.529   0.569
   14   1HE   LYS   2          2HE       LYS   2  18.370   0.801  -1.255
   15   2HE   LYS   2          1HE       LYS   2  17.815  -0.871  -1.172
   16   1HZ   LYS   2          1HZ       LYS   2  16.382  -0.540  -2.994
   17   2HZ   LYS   2          2HZ       LYS   2  17.866   0.154  -3.446
   18   3HZ   LYS   2          3HZ       LYS   2  16.577   1.145  -2.954
   19    H    GLU   3           H        GLU   3  13.516   2.646   2.774
   20    HA   GLU   3           HA       GLU   3  11.132   1.189   3.843
   21   1HB   GLU   3          2HB       GLU   3  11.272   3.122   5.612
   22   2HB   GLU   3          1HB       GLU   3  12.366   1.745   5.757
   23   1HG   GLU   3          2HG       GLU   3  14.116   3.006   4.553
   24   2HG   GLU   3          1HG       GLU   3  13.026   4.388   4.421
   25    H    CYS   4           H        CYS   4  11.180   2.470   1.295
   26    HA   CYS   4           HA       CYS   4   9.302   4.738   1.818
   27   1HB   CYS   4          2HB       CYS   4  11.604   4.511  -0.032
   28   2HB   CYS   4          1HB       CYS   4  10.171   5.285  -0.684
   29    H    ASP   5           H        ASP   5   7.696   2.865   1.746
   30    HA   ASP   5           HA       ASP   5   7.211   1.133  -0.355
   31   1HB   ASP   5          2HB       ASP   5   5.786   1.661   1.779
   32   2HB   ASP   5          1HB       ASP   5   4.901   2.738   0.696
   33    H    CYS   6           H        CYS   6   6.590   4.617  -0.310
   34    HA   CYS   6           HA       CYS   6   6.056   4.440  -3.248
   35   1HB   CYS   6          2HB       CYS   6   4.377   6.083  -3.093
   36   2HB   CYS   6          1HB       CYS   6   4.112   5.136  -1.635
   37    H    SER   7           H        SER   7   6.412   6.938  -4.116
   38    HA   SER   7           HA       SER   7   9.100   7.709  -3.052
   39   1HB   SER   7          2HB       SER   7   9.234   8.756  -5.475
   40   2HB   SER   7          1HB       SER   7   9.563   7.044  -5.227
   41    HG   SER   7           HG       SER   7   7.103   8.228  -6.018
   42    H    SER   8           H        SER   8   5.888   8.799  -3.811
   43    HA   SER   8           HA       SER   8   6.705  11.636  -3.495
   44   1HB   SER   8          2HB       SER   8   4.689  10.321  -4.997
   45   2HB   SER   8          1HB       SER   8   3.880  11.328  -3.802
   46    HG   SER   8           HG       SER   8   4.443  12.983  -4.948
   47    HA   PRO   9           HA       PRO   9   5.371  11.387   0.735
   48   1HB   PRO   9          2HB       PRO   9   5.764  14.046   1.309
   49   2HB   PRO   9          1HB       PRO   9   7.078  12.859   1.217
   50   1HG   PRO   9          2HG       PRO   9   6.338  14.996  -0.725
   51   2HG   PRO   9          1HG       PRO   9   7.910  14.228  -0.447
   52   1HD   PRO   9          2HD       PRO   9   6.127  13.650  -2.574
   53   2HD   PRO   9          1HD       PRO   9   7.548  12.693  -2.108
   54    H    GLU  10           H        GLU  10   3.822  13.076  -1.794
   55    HA   GLU  10           HA       GLU  10   1.669  14.100  -0.015
   56   1HB   GLU  10          2HB       GLU  10   2.141  14.457  -2.991
   57   2HB   GLU  10          1HB       GLU  10   0.807  15.177  -2.090
   58   1HG   GLU  10          2HG       GLU  10   3.728  15.626  -1.420
   59   2HG   GLU  10          1HG       GLU  10   2.765  16.724  -2.408
   60    H    ASN  11           H        ASN  11   2.407  11.475  -2.117
   61    HA   ASN  11           HA       ASN  11  -0.177  10.767  -3.038
   62   1HB   ASN  11          2HB       ASN  11   2.281   9.721  -3.392
   63   2HB   ASN  11          1HB       ASN  11   1.655   8.576  -2.205
   64   1HD2  ASN  11          1HD2      ASN  11   1.661   6.943  -4.009
   65   2HD2  ASN  11          2HD2      ASN  11   0.384   6.941  -5.129
   66    HA   PRO  12           HA       PRO  12  -1.983   9.689   0.892
   67   1HB   PRO  12          2HB       PRO  12  -4.396   8.862  -0.135
   68   2HB   PRO  12          1HB       PRO  12  -3.960  10.564   0.085
   69   1HG   PRO  12          2HG       PRO  12  -4.105   8.975  -2.433
   70   2HG   PRO  12          1HG       PRO  12  -4.296  10.719  -2.195
   71   1HD   PRO  12          2HD       PRO  12  -1.981   9.426  -3.184
   72   2HD   PRO  12          1HD       PRO  12  -2.079  11.111  -2.631
   73    H    CYS  13           H        CYS  13  -0.947   7.639  -1.519
   74    HA   CYS  13           HA       CYS  13  -2.124   5.155  -0.426
   75   1HB   CYS  13          2HB       CYS  13  -0.133   5.673  -2.652
   76   2HB   CYS  13          1HB       CYS  13  -0.738   4.079  -2.211
   77    H    CYS  14           H        CYS  14   0.383   7.170   0.462
   78    HA   CYS  14           HA       CYS  14   1.637   4.934   1.937
   79   1HB   CYS  14          2HB       CYS  14   3.901   5.585   1.234
   80   2HB   CYS  14          1HB       CYS  14   2.928   5.119  -0.162
   81    H    ASP  15           H        ASP  15   1.730   5.571   3.993
   82    HA   ASP  15           HA       ASP  15   1.270   8.117   5.025
   83   1HB   ASP  15          2HB       ASP  15   1.823   5.713   6.130
   84   2HB   ASP  15          1HB       ASP  15   3.355   6.534   6.388
   85    H    ALA  16           H        ALA  16   2.330   9.936   4.334
   86    HA   ALA  16           HA       ALA  16   4.968   9.945   3.243
   87   1HB   ALA  16          1HB       ALA  16   3.603  12.320   4.520
   88   2HB   ALA  16          2HB       ALA  16   3.146  11.708   2.931
   89   3HB   ALA  16          3HB       ALA  16   4.775  12.325   3.203
   90    H    ALA  17           H        ALA  17   3.781  10.117   6.510
   91    HA   ALA  17           HA       ALA  17   6.094  11.329   7.709
   92   1HB   ALA  17          1HB       ALA  17   4.630   9.313   9.305
   93   2HB   ALA  17          2HB       ALA  17   3.632  10.600   8.628
   94   3HB   ALA  17          3HB       ALA  17   4.991  10.998   9.679
   95    H    THR  18           H        THR  18   5.501   8.162   6.441
   96    HA   THR  18           HA       THR  18   8.146   7.305   7.536
   97    HB   THR  18           HB       THR  18   7.354   5.189   8.109
   98    HG1  THR  18           HG1      THR  18   4.978   5.629   6.649
   99   1HG2  THR  18          1HG2      THR  18   5.413   5.512   9.483
  100   2HG2  THR  18          2HG2      THR  18   4.847   6.843   8.474
  101   3HG2  THR  18          3HG2      THR  18   6.288   7.043   9.470
  102    H    CYS  19           H        CYS  19   6.553   8.122   4.784
  103    HA   CYS  19           HA       CYS  19   7.033   7.694   2.505
  104   1HB   CYS  19          2HB       CYS  19   9.440   7.582   3.729
  105   2HB   CYS  19          1HB       CYS  19   9.303   5.938   3.162
  106    H    LYS  20           H        LYS  20   5.806   5.545   4.531
  107    HA   LYS  20           HA       LYS  20   6.112   3.257   2.638
  108   1HB   LYS  20          2HB       LYS  20   6.086   3.454   5.524
  109   2HB   LYS  20          1HB       LYS  20   4.863   2.313   4.957
  110   1HG   LYS  20          2HG       LYS  20   7.162   1.856   3.380
  111   2HG   LYS  20          1HG       LYS  20   7.731   2.004   5.043
  112   1HD   LYS  20          2HD       LYS  20   7.103  -0.157   5.284
  113   2HD   LYS  20          1HD       LYS  20   5.449   0.458   5.306
  114   1HE   LYS  20          2HE       LYS  20   5.197   0.094   2.942
  115   2HE   LYS  20          1HE       LYS  20   6.915  -0.255   2.754
  116   1HZ   LYS  20          1HZ       LYS  20   5.389  -1.884   4.644
  117   2HZ   LYS  20          2HZ       LYS  20   6.696  -2.314   3.649
  118   3HZ   LYS  20          3HZ       LYS  20   5.139  -2.161   2.990
  119    H    LEU  21           H        LEU  21   4.060   1.767   2.748
  120    HA   LEU  21           HA       LEU  21   1.898   3.199   1.564
  121   1HB   LEU  21          2HB       LEU  21   2.345   0.425   2.501
  122   2HB   LEU  21          1HB       LEU  21   0.665   0.951   2.420
  123    HG   LEU  21           HG       LEU  21   2.565   1.368   0.106
  124   1HD1  LEU  21          1HD1      LEU  21   1.987  -0.705  -0.815
  125   2HD1  LEU  21          2HD1      LEU  21   0.594  -0.894   0.249
  126   3HD1  LEU  21          3HD1      LEU  21   2.225  -1.098   0.887
  127   1HD2  LEU  21          1HD2      LEU  21  -0.127   2.087   0.699
  128   2HD2  LEU  21          2HD2      LEU  21  -0.155   0.890  -0.596
  129   3HD2  LEU  21          3HD2      LEU  21   0.776   2.374  -0.788
  130    H    ARG  22           H        ARG  22  -0.373   2.993   2.451
  131    HA   ARG  22           HA       ARG  22  -0.357   3.744   5.335
  132   1HB   ARG  22          2HB       ARG  22  -1.609   4.921   3.031
  133   2HB   ARG  22          1HB       ARG  22  -2.869   4.324   4.110
  134   1HG   ARG  22          2HG       ARG  22  -2.198   5.698   5.876
  135   2HG   ARG  22          1HG       ARG  22  -0.559   5.871   5.247
  136   1HD   ARG  22          2HD       ARG  22  -1.336   7.301   3.449
  137   2HD   ARG  22          1HD       ARG  22  -3.018   7.019   3.897
  138    HE   ARG  22           HE       ARG  22  -1.213   8.902   5.176
  139   1HH1  ARG  22          1HH1      ARG  22  -4.348   8.681   4.850
  140   2HH1  ARG  22          2HH1      ARG  22  -4.801   8.704   6.522
  141   1HH2  ARG  22          1HH2      ARG  22  -1.584   8.111   7.674
  142   2HH2  ARG  22          2HH2      ARG  22  -3.235   8.382   8.122
  143    HA   PRO  23           HA       PRO  23  -2.377  -0.140   6.028
  144   1HB   PRO  23          2HB       PRO  23  -3.486   0.507   8.478
  145   2HB   PRO  23          1HB       PRO  23  -1.791   0.045   8.246
  146   1HG   PRO  23          2HG       PRO  23  -2.964   2.790   8.608
  147   2HG   PRO  23          1HG       PRO  23  -1.414   2.149   9.187
  148   1HD   PRO  23          2HD       PRO  23  -1.612   3.775   6.957
  149   2HD   PRO  23          1HD       PRO  23  -0.334   2.568   7.173
  150    H    GLY  24           H        GLY  24  -3.831   0.446   4.219
  151   1HA   GLY  24          2HA       GLY  24  -6.573   0.170   4.812
  152   2HA   GLY  24          1HA       GLY  24  -6.273   1.885   4.496
  153    H    ALA  25           H        ALA  25  -4.097   1.447   2.693
  154    HA   ALA  25           HA       ALA  25  -5.589   0.705   0.269
  155   1HB   ALA  25          1HB       ALA  25  -3.989   1.985  -0.915
  156   2HB   ALA  25          2HB       ALA  25  -2.791   1.820   0.366
  157   3HB   ALA  25          3HB       ALA  25  -4.189   2.868   0.597
  158    H    GLN  26           H        GLN  26  -3.439  -0.062  -1.370
  159    HA   GLN  26           HA       GLN  26  -2.208  -2.365   0.039
  160   1HB   GLN  26          2HB       GLN  26  -2.893  -3.923  -1.722
  161   2HB   GLN  26          1HB       GLN  26  -4.308  -3.182  -0.972
  162   1HG   GLN  26          2HG       GLN  26  -4.807  -2.969  -3.232
  163   2HG   GLN  26          1HG       GLN  26  -4.060  -1.410  -2.886
  164   1HE2  GLN  26          1HE2      GLN  26  -3.726  -1.724  -5.423
  165   2HE2  GLN  26          2HE2      GLN  26  -2.263  -2.448  -5.879
  166    H    CYS  27           H        CYS  27  -1.798   0.213  -2.066
  167    HA   CYS  27           HA       CYS  27   0.876  -0.692  -2.711
  168   1HB   CYS  27          2HB       CYS  27   0.437  -1.565  -4.733
  169   2HB   CYS  27          1HB       CYS  27  -1.248  -1.124  -4.583
  170    H    GLY  28           H        GLY  28   2.168   1.085  -3.670
  171   1HA   GLY  28          2HA       GLY  28   1.018   3.720  -2.899
  172   2HA   GLY  28          1HA       GLY  28   2.740   3.365  -3.030
  173    H    GLU  29           H        GLU  29   2.052   1.867  -5.628
  174    HA   GLU  29           HA       GLU  29   0.986   3.744  -7.493
  175   1HB   GLU  29          2HB       GLU  29   3.101   4.521  -8.527
  176   2HB   GLU  29          1HB       GLU  29   2.929   5.098  -6.872
  177   1HG   GLU  29          2HG       GLU  29   4.934   4.181  -6.421
  178   2HG   GLU  29          1HG       GLU  29   4.194   2.597  -6.653
  179    H    GLY  30           H        GLY  30   0.584   2.624  -9.349
  180   1HA   GLY  30          2HA       GLY  30   2.363   0.726 -10.531
  181   2HA   GLY  30          1HA       GLY  30   1.123  -0.130  -9.614
  182    H    LEU  31           H        LEU  31   1.142  -0.518 -12.335
  183    HA   LEU  31           HA       LEU  31  -0.457   1.361 -13.800
  184   1HB   LEU  31          2HB       LEU  31   0.534  -1.364 -14.208
  185   2HB   LEU  31          1HB       LEU  31  -0.932  -0.969 -15.092
  186    HG   LEU  31           HG       LEU  31   1.618   0.675 -15.115
  187   1HD1  LEU  31          1HD1      LEU  31   1.678  -0.127 -17.528
  188   2HD1  LEU  31          2HD1      LEU  31   0.443  -1.305 -17.082
  189   3HD1  LEU  31          3HD1      LEU  31   2.031  -1.361 -16.317
  190   1HD2  LEU  31          1HD2      LEU  31  -1.139   1.069 -16.123
  191   2HD2  LEU  31          2HD2      LEU  31   0.139   1.422 -17.285
  192   3HD2  LEU  31          3HD2      LEU  31   0.098   2.264 -15.736
  193    H    CYS  32           H        CYS  32  -1.267  -1.672 -12.119
  194    HA   CYS  32           HA       CYS  32  -4.154  -1.044 -12.463
  195   1HB   CYS  32          2HB       CYS  32  -3.086  -3.531 -11.151
  196   2HB   CYS  32          1HB       CYS  32  -4.589  -3.310 -12.044
  197    H    CYS  33           H        CYS  33  -2.723   0.623 -10.662
  198    HA   CYS  33           HA       CYS  33  -3.584  -0.412  -7.997
  199   1HB   CYS  33          2HB       CYS  33  -1.478   1.525  -8.881
  200   2HB   CYS  33          1HB       CYS  33  -2.193   1.727  -7.284
  201    H    GLU  34           H        GLU  34  -5.760   0.165  -7.944
  202    HA   GLU  34           HA       GLU  34  -6.869   2.573  -8.970
  203   1HB   GLU  34          2HB       GLU  34  -7.865   0.323  -7.741
  204   2HB   GLU  34          1HB       GLU  34  -8.134   1.571  -6.529
  205   1HG   GLU  34          2HG       GLU  34  -9.471   2.867  -7.978
  206   2HG   GLU  34          1HG       GLU  34  -8.880   2.027  -9.411
  207    H    GLN  35           H        GLN  35  -8.113   3.987  -7.022
  208    HA   GLN  35           HA       GLN  35  -6.081   5.681  -6.007
  209   1HB   GLN  35          2HB       GLN  35  -8.468   6.343  -6.300
  210   2HB   GLN  35          1HB       GLN  35  -8.888   5.336  -4.916
  211   1HG   GLN  35          2HG       GLN  35  -7.958   6.785  -3.401
  212   2HG   GLN  35          1HG       GLN  35  -6.683   7.291  -4.511
  213   1HE2  GLN  35          1HE2      GLN  35  -7.301   8.877  -6.228
  214   2HE2  GLN  35          2HE2      GLN  35  -8.632   9.901  -5.983
  215    H    CYS  36           H        CYS  36  -4.545   4.352  -4.906
  216    HA   CYS  36           HA       CYS  36  -3.634   3.240  -3.050
  217   1HB   CYS  36          2HB       CYS  36  -5.931   4.674  -1.677
  218   2HB   CYS  36          1HB       CYS  36  -4.560   3.931  -0.854
  219    H    LYS  37           H        LYS  37  -5.200   1.585  -4.583
  220    HA   LYS  37           HA       LYS  37  -6.075  -0.368  -2.598
  221   1HB   LYS  37          2HB       LYS  37  -8.018   1.351  -3.957
  222   2HB   LYS  37          1HB       LYS  37  -8.319  -0.363  -4.248
  223   1HG   LYS  37          2HG       LYS  37  -8.551  -0.835  -1.946
  224   2HG   LYS  37          1HG       LYS  37  -7.762   0.669  -1.468
  225   1HD   LYS  37          2HD       LYS  37  -9.671   1.948  -2.409
  226   2HD   LYS  37          1HD       LYS  37 -10.470   0.429  -2.815
  227   1HE   LYS  37          2HE       LYS  37 -10.628  -0.196  -0.493
  228   2HE   LYS  37          1HE       LYS  37  -9.609   1.159  -0.005
  229   1HZ   LYS  37          1HZ       LYS  37 -12.355   1.251  -1.109
  230   2HZ   LYS  37          2HZ       LYS  37 -11.356   2.624  -1.034
  231   3HZ   LYS  37          3HZ       LYS  37 -11.812   1.823   0.394
  232    H    PHE  38           H        PHE  38  -6.758  -2.429  -3.735
  233    HA   PHE  38           HA       PHE  38  -4.985  -2.874  -6.032
  234   1HB   PHE  38          2HB       PHE  38  -6.371  -4.522  -4.039
  235   2HB   PHE  38          1HB       PHE  38  -6.413  -5.211  -5.660
  236    HD1  PHE  38           HD1      PHE  38  -3.920  -4.426  -6.878
  237    HD2  PHE  38           HD2      PHE  38  -4.680  -5.594  -2.813
  238    HE1  PHE  38           HE1      PHE  38  -1.566  -5.168  -6.648
  239    HE2  PHE  38           HE2      PHE  38  -2.325  -6.334  -2.589
  240    HZ   PHE  38           HZ       PHE  38  -0.769  -6.125  -4.507
  241    H    SER  39           H        SER  39  -5.728  -2.329  -8.025
  242    HA   SER  39           HA       SER  39  -8.384  -1.822  -8.767
  243   1HB   SER  39          2HB       SER  39  -7.657  -1.988 -11.040
  244   2HB   SER  39          1HB       SER  39  -6.254  -1.422 -10.137
  245    HG   SER  39           HG       SER  39  -6.555  -3.662 -11.577
  246    H    ARG  40           H        ARG  40 -10.082  -3.141  -9.481
  247    HA   ARG  40           HA       ARG  40 -10.034  -5.893  -8.641
  248   1HB   ARG  40          2HB       ARG  40 -12.094  -4.878 -10.531
  249   2HB   ARG  40          1HB       ARG  40 -12.293  -5.931  -9.137
  250   1HG   ARG  40          2HG       ARG  40 -13.005  -4.091  -8.031
  251   2HG   ARG  40          1HG       ARG  40 -11.315  -3.586  -8.025
  252   1HD   ARG  40          2HD       ARG  40 -12.124  -1.749  -9.107
  253   2HD   ARG  40          1HD       ARG  40 -12.056  -2.798 -10.522
  254    HE   ARG  40           HE       ARG  40 -14.476  -3.256 -10.177
  255   1HH1  ARG  40          1HH1      ARG  40 -14.509  -2.244  -7.300
  256   2HH1  ARG  40          2HH1      ARG  40 -15.329  -0.730  -7.489
  257   1HH2  ARG  40          1HH2      ARG  40 -14.886  -0.617 -10.925
  258   2HH2  ARG  40          2HH2      ARG  40 -15.542   0.191  -9.541
  259    H    ALA  41           H        ALA  41 -10.158  -7.774 -10.046
  260    HA   ALA  41           HA       ALA  41  -8.344  -7.852 -12.161
  261   1HB   ALA  41          1HB       ALA  41  -8.894 -10.030 -12.058
  262   2HB   ALA  41          2HB       ALA  41 -10.446  -9.671 -12.816
  263   3HB   ALA  41          3HB       ALA  41 -10.291  -9.630 -11.059
  264    H    GLY  42           H        GLY  42  -9.032  -8.372 -14.551
  265   1HA   GLY  42          2HA       GLY  42 -10.059  -7.619 -16.528
  266   2HA   GLY  42          1HA       GLY  42 -11.404  -7.066 -15.536
  267    H    LYS  43           H        LYS  43  -8.295  -5.978 -14.533
  268    HA   LYS  43           HA       LYS  43  -9.056  -3.224 -15.157
  269   1HB   LYS  43          2HB       LYS  43  -7.950  -3.601 -13.052
  270   2HB   LYS  43          1HB       LYS  43  -6.610  -4.417 -13.853
  271   1HG   LYS  43          2HG       LYS  43  -5.851  -2.196 -13.379
  272   2HG   LYS  43          1HG       LYS  43  -6.183  -2.253 -15.110
  273   1HD   LYS  43          2HD       LYS  43  -8.562  -1.425 -14.453
  274   2HD   LYS  43          1HD       LYS  43  -7.808  -0.966 -12.925
  275   1HE   LYS  43          2HE       LYS  43  -5.998   0.048 -14.681
  276   2HE   LYS  43          1HE       LYS  43  -7.480   0.215 -15.623
  277   1HZ   LYS  43          1HZ       LYS  43  -6.815   1.389 -13.000
  278   2HZ   LYS  43          2HZ       LYS  43  -8.434   1.185 -13.470
  279   3HZ   LYS  43          3HZ       LYS  43  -7.395   2.159 -14.396
  280    H    ILE  44           H        ILE  44  -8.581  -2.257 -17.082
  281    HA   ILE  44           HA       ILE  44  -6.778  -3.561 -18.967
  282    HB   ILE  44           HB       ILE  44  -8.665  -2.475 -19.920
  283   1HG1  ILE  44          2HG1      ILE  44  -7.595  -0.521 -21.211
  284   2HG1  ILE  44          1HG1      ILE  44  -6.129  -0.862 -20.293
  285   1HG2  ILE  44          1HG2      ILE  44  -8.037  -0.468 -17.871
  286   2HG2  ILE  44          2HG2      ILE  44  -9.590  -0.904 -18.584
  287   3HG2  ILE  44          3HG2      ILE  44  -8.522   0.226 -19.418
  288   1HD1  ILE  44          1HD1      ILE  44  -6.543  -2.031 -22.630
  289   2HD1  ILE  44          2HD1      ILE  44  -7.531  -3.127 -21.666
  290   3HD1  ILE  44          3HD1      ILE  44  -5.817  -2.933 -21.301
  291    H    CYS  45           H        CYS  45  -4.733  -3.512 -18.050
  292    HA   CYS  45           HA       CYS  45  -3.537  -0.964 -17.174
  293   1HB   CYS  45          2HB       CYS  45  -1.511  -2.449 -16.808
  294   2HB   CYS  45          1HB       CYS  45  -2.933  -2.866 -15.874
  295    H    ARG  46           H        ARG  46  -3.927  -2.599 -20.110
  296    HA   ARG  46           HA       ARG  46  -2.310  -0.712 -21.548
  297   1HB   ARG  46          2HB       ARG  46  -0.669  -2.479 -20.396
  298   2HB   ARG  46          1HB       ARG  46  -1.116  -3.438 -21.808
  299   1HG   ARG  46          2HG       ARG  46  -0.571  -1.332 -23.191
  300   2HG   ARG  46          1HG       ARG  46   0.228  -0.736 -21.736
  301   1HD   ARG  46          2HD       ARG  46   0.876  -3.269 -23.268
  302   2HD   ARG  46          1HD       ARG  46   1.901  -1.845 -23.082
  303    HE   ARG  46           HE       ARG  46   1.350  -3.863 -20.975
  304   1HH1  ARG  46          1HH2      ARG  46   1.548  -0.944 -20.039
  305   2HH1  ARG  46          2HH2      ARG  46   3.223  -0.857 -19.609
  306   1HH2  ARG  46          1HH1      ARG  46   4.079  -3.765 -21.294
  307   2HH2  ARG  46          2HH1      ARG  46   4.657  -2.454 -20.320
  308    H    ILE  47           H        ILE  47  -2.550  -0.988 -23.843
  309    HA   ILE  47           HA       ILE  47  -4.761  -2.847 -24.556
  310    HB   ILE  47           HB       ILE  47  -5.144  -0.522 -25.159
  311   1HG1  ILE  47          2HG1      ILE  47  -5.235  -0.782 -27.699
  312   2HG1  ILE  47          1HG1      ILE  47  -4.433  -2.338 -27.476
  313   1HG2  ILE  47          1HG2      ILE  47  -3.287   0.726 -25.505
  314   2HG2  ILE  47          2HG2      ILE  47  -3.297   0.080 -27.146
  315   3HG2  ILE  47          3HG2      ILE  47  -2.317  -0.692 -25.900
  316   1HD1  ILE  47          1HD1      ILE  47  -6.769  -1.876 -25.723
  317   2HD1  ILE  47          2HD1      ILE  47  -6.299  -3.323 -26.615
  318   3HD1  ILE  47          3HD1      ILE  47  -7.141  -2.012 -27.442
  319    H    ALA  48           H        ALA  48  -4.471  -4.458 -26.107
  320    HA   ALA  48           HA       ALA  48  -1.929  -5.581 -26.524
  321   1HB   ALA  48          1HB       ALA  48  -3.166  -6.501 -28.716
  322   2HB   ALA  48          2HB       ALA  48  -4.576  -5.851 -27.881
  323   3HB   ALA  48          3HB       ALA  48  -3.581  -7.082 -27.103
  324    H    LYS  49           H        LYS  49  -1.151  -5.908 -29.001
  325    HA   LYS  49           HA       LYS  49  -0.743  -3.162 -30.061
  326   1HB   LYS  49          2HB       LYS  49   0.998  -5.583 -30.377
  327   2HB   LYS  49          1HB       LYS  49   1.368  -3.967 -30.967
  328   1HG   LYS  49          2HG       LYS  49   0.681  -3.853 -28.168
  329   2HG   LYS  49          1HG       LYS  49   1.963  -5.039 -28.417
  330   1HD   LYS  49          2HD       LYS  49   3.293  -3.380 -29.641
  331   2HD   LYS  49          1HD       LYS  49   2.002  -2.192 -29.461
  332   1HE   LYS  49          2HE       LYS  49   2.719  -3.355 -26.895
  333   2HE   LYS  49          1HE       LYS  49   4.120  -2.625 -27.680
  334   1HZ   LYS  49          1HZ       LYS  49   1.523  -1.340 -27.058
  335   2HZ   LYS  49          2HZ       LYS  49   2.683  -0.638 -28.080
  336   3HZ   LYS  49          3HZ       LYS  49   3.052  -0.933 -26.449
  337    H    GLY  50           H        GLY  50  -0.306  -6.358 -31.449
  338   1HA   GLY  50          2HA       GLY  50  -1.191  -5.603 -34.042
  339   2HA   GLY  50          1HA       GLY  50  -1.068  -7.266 -33.473
  340    H    ASP  51           H        ASP  51  -2.884  -7.756 -31.744
  341    HA   ASP  51           HA       ASP  51  -5.326  -6.511 -31.531
  342   1HB   ASP  51          2HB       ASP  51  -4.876  -7.359 -34.261
  343   2HB   ASP  51          1HB       ASP  51  -6.303  -8.135 -33.580
  344    H    TRP  52           H        TRP  52  -5.934  -7.743 -29.804
  345    HA   TRP  52           HA       TRP  52  -6.963 -10.340 -30.010
  346   1HB   TRP  52          2HB       TRP  52  -4.919 -11.454 -28.706
  347   2HB   TRP  52          1HB       TRP  52  -4.986 -11.440 -30.467
  348    HD1  TRP  52           HD1      TRP  52  -4.107  -8.423 -28.259
  349    HE1  TRP  52           HE1      TRP  52  -1.714  -7.657 -28.834
  350    HE3  TRP  52           HE3      TRP  52  -2.780 -12.094 -31.516
  351    HZ2  TRP  52           HZ2      TRP  52   0.475  -8.492 -30.479
  352    HZ3  TRP  52           HZ3      TRP  52  -0.541 -12.097 -32.583
  353    HH2  TRP  52           HH2      TRP  52   1.088 -10.299 -32.067
  354    H    ASN  53           H        ASN  53  -8.202  -8.750 -28.592
  355    HA   ASN  53           HA       ASN  53  -9.011  -8.234 -26.453
  356   1HB   ASN  53          2HB       ASN  53  -7.717 -10.759 -26.209
  357   2HB   ASN  53          1HB       ASN  53  -7.264  -9.797 -24.799
  358   1HD2  ASN  53          1HD2      ASN  53  -8.674 -11.062 -23.373
  359   2HD2  ASN  53          2HD2      ASN  53 -10.362 -10.903 -23.442
  360    H    ASP  54           H        ASP  54  -7.793  -7.818 -24.043
  361    HA   ASP  54           HA       ASP  54  -5.465  -6.063 -24.704
  362   1HB   ASP  54          2HB       ASP  54  -6.905  -5.034 -22.446
  363   2HB   ASP  54          1HB       ASP  54  -6.563  -4.244 -23.980
  364    H    ASP  55           H        ASP  55  -4.740  -5.246 -22.222
  365    HA   ASP  55           HA       ASP  55  -3.998  -7.817 -20.920
  366   1HB   ASP  55          2HB       ASP  55  -2.482  -5.591 -21.650
  367   2HB   ASP  55          1HB       ASP  55  -2.662  -5.454 -19.902
  368    H    ARG  56           H        ARG  56  -5.677  -8.226 -19.488
  369    HA   ARG  56           HA       ARG  56  -6.695  -6.060 -17.770
  370   1HB   ARG  56          2HB       ARG  56  -7.404  -8.976 -17.768
  371   2HB   ARG  56          1HB       ARG  56  -8.311  -7.672 -17.018
  372   1HG   ARG  56          2HG       ARG  56  -7.704  -7.558 -19.956
  373   2HG   ARG  56          1HG       ARG  56  -9.045  -8.551 -19.383
  374   1HD   ARG  56          2HD       ARG  56  -9.336  -6.146 -17.995
  375   2HD   ARG  56          1HD       ARG  56  -8.867  -5.652 -19.621
  376    HE   ARG  56           HE       ARG  56 -10.958  -7.678 -19.630
  377   1HH1  ARG  56          1HH2      ARG  56 -12.239  -5.667 -17.944
  378   2HH1  ARG  56          2HH2      ARG  56 -12.896  -4.540 -19.083
  379   1HH2  ARG  56          1HH1      ARG  56 -10.929  -5.645 -21.715
  380   2HH2  ARG  56          2HH1      ARG  56 -12.155  -4.529 -21.217
  381    H    CYS  57           H        CYS  57  -6.437  -6.061 -15.474
  382    HA   CYS  57           HA       CYS  57  -4.058  -7.574 -14.564
  383   1HB   CYS  57          2HB       CYS  57  -5.602  -5.570 -12.924
  384   2HB   CYS  57          1HB       CYS  57  -3.926  -6.066 -12.752
  385    H    THR  58           H        THR  58  -4.245  -8.530 -12.315
  386    HA   THR  58           HA       THR  58  -6.614 -10.226 -12.165
  387    HB   THR  58           HB       THR  58  -5.449 -11.401 -10.474
  388    HG1  THR  58           HG1      THR  58  -3.480 -10.165  -9.619
  389   1HG2  THR  58          1HG2      THR  58  -4.150 -10.729 -12.835
  390   2HG2  THR  58          2HG2      THR  58  -3.677 -12.021 -11.731
  391   3HG2  THR  58          3HG2      THR  58  -2.931 -10.428 -11.596
  392    H    GLY  59           H        GLY  59  -7.308 -10.450  -9.580
  393   1HA   GLY  59          1HA       GLY  59  -8.596  -7.859  -9.040
  394   2HA   GLY  59          2HA       GLY  59  -8.933  -9.375  -8.204
  395    H    GLN  60           H        GLN  60  -5.600  -8.640  -8.519
  396    HA   GLN  60           HA       GLN  60  -5.406  -7.073  -6.058
  397   1HB   GLN  60          2HB       GLN  60  -4.051  -8.844  -4.882
  398   2HB   GLN  60          1HB       GLN  60  -5.761  -9.246  -5.052
  399   1HG   GLN  60          2HG       GLN  60  -5.361 -10.833  -6.717
  400   2HG   GLN  60          1HG       GLN  60  -3.816 -10.113  -7.171
  401   1HE2  GLN  60          1HE2      GLN  60  -2.524  -9.927  -4.679
  402   2HE2  GLN  60          2HE2      GLN  60  -2.301 -11.483  -4.040
  403    H    SER  61           H        SER  61  -4.478  -7.049  -8.912
  404    HA   SER  61           HA       SER  61  -1.534  -7.268  -8.540
  405   1HB   SER  61          2HB       SER  61  -1.899  -8.205 -10.599
  406   2HB   SER  61          1HB       SER  61  -3.386  -7.299 -10.862
  407    HG   SER  61           HG       SER  61  -0.856  -6.041 -10.819
  408    H    ALA  62           H        ALA  62  -0.231  -5.456  -8.518
  409    HA   ALA  62           HA       ALA  62  -1.627  -2.825  -8.525
  410   1HB   ALA  62          1HB       ALA  62   0.925  -2.282  -7.719
  411   2HB   ALA  62          2HB       ALA  62   0.751  -3.944  -7.157
  412   3HB   ALA  62          3HB       ALA  62  -0.381  -2.706  -6.612
  413    H    ASP  63           H        ASP  63   0.818  -4.711 -10.154
  414    HA   ASP  63           HA       ASP  63   1.351  -2.416 -11.979
  415   1HB   ASP  63          2HB       ASP  63   2.962  -4.876 -11.364
  416   2HB   ASP  63          1HB       ASP  63   3.365  -3.763 -12.662
  417    H    CYS  64           H        CYS  64   2.287  -3.900 -14.172
  418    HA   CYS  64           HA       CYS  64   0.064  -5.756 -14.823
  419   1HB   CYS  64          2HB       CYS  64  -0.665  -3.574 -15.646
  420   2HB   CYS  64          1HB       CYS  64   0.855  -3.369 -16.516
  421    HA   PRO  65           HA       PRO  65   3.632  -7.837 -16.377
  422   1HB   PRO  65          2HB       PRO  65   2.275 -10.170 -16.845
  423   2HB   PRO  65          1HB       PRO  65   2.879  -9.703 -15.255
  424   1HG   PRO  65          2HG       PRO  65   0.093  -9.732 -16.290
  425   2HG   PRO  65          1HG       PRO  65   0.669  -9.825 -14.617
  426   1HD   PRO  65          2HD       PRO  65  -0.401  -7.534 -15.897
  427   2HD   PRO  65          1HD       PRO  65   0.433  -7.572 -14.330
  428    H    ARG  66           H        ARG  66   3.283  -9.792 -18.408
  429    HA   ARG  66           HA       ARG  66   2.151  -8.176 -20.625
  430   1HB   ARG  66          2HB       ARG  66   3.952  -9.076 -22.065
  431   2HB   ARG  66          1HB       ARG  66   4.606  -8.158 -20.708
  432   1HG   ARG  66          2HG       ARG  66   5.093 -10.190 -19.486
  433   2HG   ARG  66          1HG       ARG  66   4.269 -11.169 -20.701
  434   1HD   ARG  66          2HD       ARG  66   6.073 -11.177 -22.064
  435   2HD   ARG  66          1HD       ARG  66   6.332  -9.445 -21.858
  436    HE   ARG  66           HE       ARG  66   7.277 -10.312 -19.504
  437   1HH1  ARG  66          1HH1      ARG  66   8.152 -10.754 -22.736
  438   2HH1  ARG  66          2HH1      ARG  66   9.440 -11.865 -22.409
  439   1HH2  ARG  66          1HH2      ARG  66   8.701 -12.138 -19.032
  440   2HH2  ARG  66          2HH2      ARG  66   9.751 -12.649 -20.310
  441    H    TYR  67           H        TYR  67   1.340  -9.456 -22.451
  442    HA   TYR  67           HA       TYR  67   0.687 -12.250 -21.702
  443   1HB   TYR  67          2HB       TYR  67  -1.108 -10.093 -22.048
  444   2HB   TYR  67          1HB       TYR  67  -1.307 -11.155 -23.441
  445    HD1  TYR  67           HD1      TYR  67  -3.064 -12.655 -23.152
  446    HD2  TYR  67           HD2      TYR  67  -0.545 -11.703 -19.803
  447    HE1  TYR  67           HE1      TYR  67  -4.318 -14.270 -21.747
  448    HE2  TYR  67           HE2      TYR  67  -1.799 -13.319 -18.400
  449    HH   TYR  67           HH       TYR  67  -4.267 -14.307 -18.498
  450    H    HIS  68           HN       HIS  68   0.992  -9.947 -24.403
  451    HA   HIS  68           HA       HIS  68   2.253 -12.097 -25.997
  452   1HB   HIS  68          2HB       HIS  68  -0.338 -11.933 -26.390
  453   2HB   HIS  68          1HB       HIS  68   0.080 -10.485 -27.306
  454    HD1  HIS  68           HD1      HIS  68  -0.903 -12.226 -29.277
  455    HD2  HIS  68           HD2      HIS  68   2.912 -12.949 -27.759
  456    HE1  HIS  68           HE1      HIS  68   0.270 -13.706 -30.964
  Start of MODEL   15
    1   1H    GLY   1          1HT       GLY   1  17.405  -3.269   0.274
    2   2H    GLY   1          2HT       GLY   1  18.662  -4.332  -0.152
    3   3H    GLY   1          3HT       GLY   1  17.217  -4.939   0.506
    4   1HA   GLY   1          1HA       GLY   1  17.851  -4.271  -2.209
    5   2HA   GLY   1          2HA       GLY   1  16.559  -5.291  -1.575
    6    H    LYS   2           H        LYS   2  14.699  -4.474  -2.447
    7    HA   LYS   2           HA       LYS   2  14.353  -1.540  -2.662
    8   1HB   LYS   2          2HB       LYS   2  13.039  -3.946  -3.832
    9   2HB   LYS   2          1HB       LYS   2  12.026  -2.520  -3.597
   10   1HG   LYS   2          2HG       LYS   2  13.578  -1.152  -4.891
   11   2HG   LYS   2          1HG       LYS   2  14.688  -2.515  -5.049
   12   1HD   LYS   2          2HD       LYS   2  12.202  -3.487  -5.928
   13   2HD   LYS   2          1HD       LYS   2  12.347  -1.879  -6.637
   14   1HE   LYS   2          2HE       LYS   2  13.468  -3.149  -8.227
   15   2HE   LYS   2          1HE       LYS   2  14.807  -2.679  -7.178
   16   1HZ   LYS   2          1HZ       LYS   2  13.423  -5.063  -6.336
   17   2HZ   LYS   2          2HZ       LYS   2  15.089  -4.765  -6.475
   18   3HZ   LYS   2          3HZ       LYS   2  14.187  -5.213  -7.842
   19    H    GLU   3           H        GLU   3  13.125  -0.394  -1.226
   20    HA   GLU   3           HA       GLU   3  11.098  -1.795   0.408
   21   1HB   GLU   3          2HB       GLU   3  13.695  -0.931   1.399
   22   2HB   GLU   3          1HB       GLU   3  12.363  -0.200   2.293
   23   1HG   GLU   3          2HG       GLU   3  12.244  -3.129   1.670
   24   2HG   GLU   3          1HG       GLU   3  13.296  -2.586   2.976
   25    H    CYS   4           H        CYS   4  10.795   0.095  -1.680
   26    HA   CYS   4           HA       CYS   4   9.660   2.361  -0.113
   27   1HB   CYS   4          2HB       CYS   4  11.230   2.514  -2.695
   28   2HB   CYS   4          1HB       CYS   4  10.215   3.832  -2.112
   29    H    ASP   5           H        ASP   5   7.723   0.997  -0.296
   30    HA   ASP   5           HA       ASP   5   6.413  -0.030  -2.447
   31   1HB   ASP   5          2HB       ASP   5   5.627   0.548   0.048
   32   2HB   ASP   5          1HB       ASP   5   4.761   1.827  -0.803
   33    H    CYS   6           H        CYS   6   6.432   3.480  -1.690
   34    HA   CYS   6           HA       CYS   6   5.446   3.920  -4.480
   35   1HB   CYS   6          2HB       CYS   6   4.425   5.948  -3.754
   36   2HB   CYS   6          1HB       CYS   6   4.027   4.752  -2.521
   37    H    SER   7           H        SER   7   6.269   6.066  -5.426
   38    HA   SER   7           HA       SER   7   9.166   6.342  -4.739
   39   1HB   SER   7          2HB       SER   7   9.430   7.143  -7.087
   40   2HB   SER   7          1HB       SER   7   8.812   5.497  -7.002
   41    HG   SER   7           HG       SER   7   6.968   7.591  -7.007
   42    H    SER   8           H        SER   8   6.464   7.818  -3.941
   43    HA   SER   8           HA       SER   8   7.614  10.548  -4.316
   44   1HB   SER   8          2HB       SER   8   5.057   9.569  -5.079
   45   2HB   SER   8          1HB       SER   8   4.823  10.695  -3.745
   46    HG   SER   8           HG       SER   8   5.268  11.288  -6.243
   47    HA   PRO   9           HA       PRO   9   7.615  10.356   0.135
   48   1HB   PRO   9          2HB       PRO   9   8.753  12.830   0.501
   49   2HB   PRO   9          1HB       PRO   9   9.677  11.386   0.053
   50   1HG   PRO   9          2HG       PRO   9   8.903  13.715  -1.636
   51   2HG   PRO   9          1HG       PRO   9  10.270  12.604  -1.816
   52   1HD   PRO   9          2HD       PRO   9   7.857  12.534  -3.306
   53   2HD   PRO   9          1HD       PRO   9   9.097  11.263  -3.256
   54    H    GLU  10           H        GLU  10   5.579  12.070  -1.805
   55    HA   GLU  10           HA       GLU  10   4.330  13.480   0.521
   56   1HB   GLU  10          2HB       GLU  10   5.285  14.741  -1.674
   57   2HB   GLU  10          1HB       GLU  10   3.658  14.362  -2.238
   58   1HG   GLU  10          2HG       GLU  10   3.570  15.330   0.487
   59   2HG   GLU  10          1HG       GLU  10   4.411  16.485  -0.545
   60    H    ASN  11           H        ASN  11   4.009  11.031  -1.800
   61    HA   ASN  11           HA       ASN  11   1.229  11.087  -2.363
   62   1HB   ASN  11          2HB       ASN  11   3.383   9.365  -2.891
   63   2HB   ASN  11          1HB       ASN  11   2.209   8.380  -2.019
   64   1HD2  ASN  11          1HD2      ASN  11   2.196   7.401  -4.397
   65   2HD2  ASN  11          2HD2      ASN  11   1.028   8.050  -5.443
   66    HA   PRO  12           HA       PRO  12  -0.291  10.071   1.694
   67   1HB   PRO  12          2HB       PRO  12  -2.939   9.960   0.979
   68   2HB   PRO  12          1HB       PRO  12  -2.057  11.479   1.221
   69   1HG   PRO  12          2HG       PRO  12  -2.932  10.205  -1.325
   70   2HG   PRO  12          1HG       PRO  12  -2.613  11.912  -0.977
   71   1HD   PRO  12          2HD       PRO  12  -0.873  10.122  -2.339
   72   2HD   PRO  12          1HD       PRO  12  -0.463  11.746  -1.747
   73    H    CYS  13           H        CYS  13   0.755   7.851   0.134
   74    HA   CYS  13           HA       CYS  13  -1.119   5.734   1.037
   75   1HB   CYS  13          2HB       CYS  13  -0.897   6.456  -1.663
   76   2HB   CYS  13          1HB       CYS  13   0.057   4.987  -1.483
   77    H    CYS  14           H        CYS  14   1.779   6.929   1.502
   78    HA   CYS  14           HA       CYS  14   2.867   4.289   2.125
   79   1HB   CYS  14          2HB       CYS  14   5.048   4.839   0.894
   80   2HB   CYS  14          1HB       CYS  14   3.681   4.342  -0.101
   81    H    ASP  15           H        ASP  15   3.754   4.474   4.072
   82    HA   ASP  15           HA       ASP  15   4.144   6.855   5.506
   83   1HB   ASP  15          2HB       ASP  15   4.209   4.314   6.214
   84   2HB   ASP  15          1HB       ASP  15   5.937   4.536   5.991
   85    H    ALA  16           H        ALA  16   5.623   8.460   5.247
   86    HA   ALA  16           HA       ALA  16   7.763   8.245   3.338
   87   1HB   ALA  16          1HB       ALA  16   6.476  10.357   4.209
   88   2HB   ALA  16          2HB       ALA  16   8.182  10.500   3.788
   89   3HB   ALA  16          3HB       ALA  16   7.700  10.352   5.478
   90    H    ALA  17           H        ALA  17   7.488   7.513   6.707
   91    HA   ALA  17           HA       ALA  17  10.189   7.853   7.536
   92   1HB   ALA  17          1HB       ALA  17   9.184   7.196   9.441
   93   2HB   ALA  17          2HB       ALA  17   9.210   5.544   8.826
   94   3HB   ALA  17          3HB       ALA  17   7.802   6.567   8.545
   95    H    THR  18           H        THR  18   8.630   5.322   5.658
   96    HA   THR  18           HA       THR  18  11.322   4.149   5.156
   97    HB   THR  18           HB       THR  18  10.330   2.689   6.830
   98    HG1  THR  18           HG1      THR  18  10.725   0.939   5.711
   99   1HG2  THR  18          1HG2      THR  18   8.059   2.920   6.927
  100   2HG2  THR  18          2HG2      THR  18   8.088   1.539   5.831
  101   3HG2  THR  18          3HG2      THR  18   7.909   3.171   5.188
  102    H    CYS  19           H        CYS  19   9.426   5.891   3.655
  103    HA   CYS  19           HA       CYS  19   8.278   5.978   1.598
  104   1HB   CYS  19          2HB       CYS  19   9.721   5.120  -0.266
  105   2HB   CYS  19          1HB       CYS  19  10.582   6.143   0.879
  106    H    LYS  20           H        LYS  20   7.533   3.611   3.310
  107    HA   LYS  20           HA       LYS  20   6.849   1.671   1.151
  108   1HB   LYS  20          2HB       LYS  20   7.164   1.444   4.117
  109   2HB   LYS  20          1HB       LYS  20   6.015   0.375   3.311
  110   1HG   LYS  20          2HG       LYS  20   8.258   0.288   1.662
  111   2HG   LYS  20          1HG       LYS  20   8.934   0.291   3.292
  112   1HD   LYS  20          2HD       LYS  20   6.813  -1.606   2.239
  113   2HD   LYS  20          1HD       LYS  20   8.493  -2.013   2.594
  114   1HE   LYS  20          2HE       LYS  20   6.809  -0.777   4.746
  115   2HE   LYS  20          1HE       LYS  20   6.613  -2.491   4.385
  116   1HZ   LYS  20          1HZ       LYS  20   9.191  -1.166   5.028
  117   2HZ   LYS  20          2HZ       LYS  20   8.961  -2.824   4.737
  118   3HZ   LYS  20          3HZ       LYS  20   8.275  -2.096   6.112
  119    H    LEU  21           H        LEU  21   4.547   0.671   1.549
  120    HA   LEU  21           HA       LEU  21   2.637   2.746   1.198
  121   1HB   LEU  21          2HB       LEU  21   2.518  -0.182   1.593
  122   2HB   LEU  21          1HB       LEU  21   1.067   0.712   2.044
  123    HG   LEU  21           HG       LEU  21   2.405   1.263  -0.598
  124   1HD1  LEU  21          1HD1      LEU  21   1.457  -1.270   0.127
  125   2HD1  LEU  21          2HD1      LEU  21   1.731  -0.680  -1.514
  126   3HD1  LEU  21          3HD1      LEU  21   0.134  -0.536  -0.780
  127   1HD2  LEU  21          1HD2      LEU  21   0.133   2.209   0.800
  128   2HD2  LEU  21          2HD2      LEU  21  -0.480   1.230  -0.532
  129   3HD2  LEU  21          3HD2      LEU  21   0.600   2.585  -0.857
  130    H    ARG  22           H        ARG  22   0.564   2.652   2.581
  131    HA   ARG  22           HA       ARG  22   1.338   2.913   5.446
  132   1HB   ARG  22          2HB       ARG  22  -0.620   4.506   5.584
  133   2HB   ARG  22          1HB       ARG  22   0.702   5.088   4.571
  134   1HG   ARG  22          2HG       ARG  22  -0.462   4.661   2.580
  135   2HG   ARG  22          1HG       ARG  22  -1.557   3.514   3.355
  136   1HD   ARG  22          2HD       ARG  22  -1.565   6.355   4.302
  137   2HD   ARG  22          1HD       ARG  22  -2.367   5.974   2.778
  138    HE   ARG  22           HE       ARG  22  -3.203   4.105   4.784
  139   1HH1  ARG  22          1HH1      ARG  22  -3.242   6.994   5.981
  140   2HH1  ARG  22          2HH1      ARG  22  -4.908   7.393   5.724
  141   1HH2  ARG  22          1HH2      ARG  22  -5.468   4.782   3.513
  142   2HH2  ARG  22          2HH2      ARG  22  -6.168   6.142   4.326
  143    HA   PRO  23           HA       PRO  23  -1.434  -0.405   6.220
  144   1HB   PRO  23          2HB       PRO  23  -2.199   0.326   8.779
  145   2HB   PRO  23          1HB       PRO  23  -0.664  -0.468   8.384
  146   1HG   PRO  23          2HG       PRO  23  -1.196   2.448   8.924
  147   2HG   PRO  23          1HG       PRO  23   0.215   1.465   9.368
  148   1HD   PRO  23          2HD       PRO  23   0.250   3.184   7.211
  149   2HD   PRO  23          1HD       PRO  23   1.205   1.693   7.270
  150    H    GLY  24           H        GLY  24  -2.943   0.392   4.590
  151   1HA   GLY  24          2HA       GLY  24  -5.595   0.751   5.532
  152   2HA   GLY  24          1HA       GLY  24  -4.973   2.330   5.044
  153    H    ALA  25           H        ALA  25  -3.768   2.214   2.828
  154    HA   ALA  25           HA       ALA  25  -5.633   1.131   0.880
  155   1HB   ALA  25          1HB       ALA  25  -4.131   2.201  -0.767
  156   2HB   ALA  25          2HB       ALA  25  -2.971   2.532   0.516
  157   3HB   ALA  25          3HB       ALA  25  -4.550   3.316   0.533
  158    H    GLN  26           H        GLN  26  -4.123   0.236  -1.200
  159    HA   GLN  26           HA       GLN  26  -2.577  -2.055  -0.052
  160   1HB   GLN  26          2HB       GLN  26  -4.984  -2.161  -1.509
  161   2HB   GLN  26          1HB       GLN  26  -3.722  -2.645  -2.644
  162   1HG   GLN  26          2HG       GLN  26  -3.317  -4.587  -1.547
  163   2HG   GLN  26          1HG       GLN  26  -3.408  -3.812   0.035
  164   1HE2  GLN  26          1HE2      GLN  26  -5.697  -4.542  -2.672
  165   2HE2  GLN  26          2HE2      GLN  26  -6.946  -5.081  -1.658
  166    H    CYS  27           H        CYS  27  -2.364   0.697  -1.884
  167    HA   CYS  27           HA       CYS  27   0.257   0.091  -2.826
  168   1HB   CYS  27          2HB       CYS  27  -0.274  -1.077  -4.683
  169   2HB   CYS  27          1HB       CYS  27  -1.964  -0.623  -4.581
  170    H    GLY  28           H        GLY  28   1.257   1.974  -3.784
  171   1HA   GLY  28          2HA       GLY  28  -0.304   4.458  -3.261
  172   2HA   GLY  28          1HA       GLY  28   1.456   4.354  -3.272
  173    H    GLU  29           H        GLU  29   1.119   2.578  -5.774
  174    HA   GLU  29           HA       GLU  29  -0.036   4.186  -7.843
  175   1HB   GLU  29          2HB       GLU  29   1.919   5.209  -8.809
  176   2HB   GLU  29          1HB       GLU  29   1.880   5.671  -7.108
  177   1HG   GLU  29          2HG       GLU  29   3.468   3.861  -6.575
  178   2HG   GLU  29          1HG       GLU  29   3.510   3.395  -8.276
  179    H    GLY  30           H        GLY  30  -0.185   2.907  -9.658
  180   1HA   GLY  30          2HA       GLY  30   1.826   1.025 -10.460
  181   2HA   GLY  30          1HA       GLY  30   0.508   0.189  -9.642
  182    H    LEU  31           H        LEU  31   0.711  -0.585 -12.158
  183    HA   LEU  31           HA       LEU  31  -0.605   1.116 -14.091
  184   1HB   LEU  31          2HB       LEU  31   0.593  -1.502 -14.026
  185   2HB   LEU  31          1HB       LEU  31  -0.925  -1.543 -14.916
  186    HG   LEU  31           HG       LEU  31   1.028  -0.982 -16.368
  187   1HD1  LEU  31          1HD1      LEU  31  -0.093   0.712 -17.565
  188   2HD1  LEU  31          2HD1      LEU  31  -0.708   1.467 -16.093
  189   3HD1  LEU  31          3HD1      LEU  31  -1.385  -0.064 -16.649
  190   1HD2  LEU  31          1HD2      LEU  31   2.520   0.211 -15.002
  191   2HD2  LEU  31          2HD2      LEU  31   1.247   1.243 -14.351
  192   3HD2  LEU  31          3HD2      LEU  31   1.821   1.485 -16.000
  193    H    CYS  32           H        CYS  32  -1.700  -0.987 -11.586
  194    HA   CYS  32           HA       CYS  32  -4.507  -0.499 -12.458
  195   1HB   CYS  32          2HB       CYS  32  -3.318  -3.146 -11.585
  196   2HB   CYS  32          1HB       CYS  32  -5.053  -2.839 -11.675
  197    H    CYS  33           H        CYS  33  -3.719   1.176 -10.674
  198    HA   CYS  33           HA       CYS  33  -4.453  -0.004  -8.025
  199   1HB   CYS  33          2HB       CYS  33  -2.352   2.006  -8.779
  200   2HB   CYS  33          1HB       CYS  33  -3.094   2.086  -7.182
  201    H    GLU  34           H        GLU  34  -6.628   0.556  -8.008
  202    HA   GLU  34           HA       GLU  34  -7.739   2.979  -9.001
  203   1HB   GLU  34          2HB       GLU  34  -8.861   0.768  -8.082
  204   2HB   GLU  34          1HB       GLU  34  -8.878   1.676  -6.576
  205   1HG   GLU  34          2HG       GLU  34 -10.790   2.623  -7.321
  206   2HG   GLU  34          1HG       GLU  34  -9.770   3.528  -8.440
  207    H    GLN  35           H        GLN  35  -9.071   4.124  -6.751
  208    HA   GLN  35           HA       GLN  35  -7.129   5.983  -5.859
  209   1HB   GLN  35          2HB       GLN  35  -9.712   6.146  -5.757
  210   2HB   GLN  35          1HB       GLN  35  -9.571   5.267  -4.235
  211   1HG   GLN  35          2HG       GLN  35  -9.093   7.206  -3.201
  212   2HG   GLN  35          1HG       GLN  35  -7.617   7.319  -4.161
  213   1HE2  GLN  35          1HE2      GLN  35 -11.158   7.828  -4.719
  214   2HE2  GLN  35          2HE2      GLN  35 -10.955   9.270  -5.592
  215    H    CYS  36           H        CYS  36  -5.310   4.805  -5.117
  216    HA   CYS  36           HA       CYS  36  -4.012   3.568  -3.609
  217   1HB   CYS  36          2HB       CYS  36  -5.918   5.182  -1.970
  218   2HB   CYS  36          1HB       CYS  36  -4.970   3.942  -1.152
  219    H    LYS  37           H        LYS  37  -5.765   1.877  -4.896
  220    HA   LYS  37           HA       LYS  37  -6.130  -0.185  -2.858
  221   1HB   LYS  37          2HB       LYS  37  -8.337   1.500  -3.505
  222   2HB   LYS  37          1HB       LYS  37  -8.657  -0.091  -4.198
  223   1HG   LYS  37          2HG       LYS  37  -7.699  -0.843  -1.786
  224   2HG   LYS  37          1HG       LYS  37  -8.403   0.715  -1.349
  225   1HD   LYS  37          2HD       LYS  37 -10.364  -0.364  -2.949
  226   2HD   LYS  37          1HD       LYS  37  -9.737  -1.791  -2.122
  227   1HE   LYS  37          2HE       LYS  37 -10.264   0.673  -0.504
  228   2HE   LYS  37          1HE       LYS  37 -11.638  -0.312  -1.008
  229   1HZ   LYS  37          1HZ       LYS  37 -10.027  -0.781   1.142
  230   2HZ   LYS  37          2HZ       LYS  37  -9.476  -1.894  -0.018
  231   3HZ   LYS  37          3HZ       LYS  37 -11.111  -1.885   0.446
  232    H    PHE  38           H        PHE  38  -5.742  -2.140  -3.797
  233    HA   PHE  38           HA       PHE  38  -4.892  -2.488  -6.434
  234   1HB   PHE  38          2HB       PHE  38  -6.186  -4.383  -4.476
  235   2HB   PHE  38          1HB       PHE  38  -5.743  -4.927  -6.091
  236    HD1  PHE  38           HD1      PHE  38  -3.530  -2.334  -5.187
  237    HD2  PHE  38           HD2      PHE  38  -4.339  -6.487  -4.434
  238    HE1  PHE  38           HE1      PHE  38  -1.187  -2.661  -4.446
  239    HE2  PHE  38           HE2      PHE  38  -1.995  -6.807  -3.693
  240    HZ   PHE  38           HZ       PHE  38  -0.420  -4.894  -3.698
  241    H    SER  39           H        SER  39  -6.032  -1.972  -8.256
  242    HA   SER  39           HA       SER  39  -8.808  -1.602  -8.444
  243   1HB   SER  39          2HB       SER  39  -6.821  -2.446 -10.527
  244   2HB   SER  39          1HB       SER  39  -8.485  -2.043 -10.912
  245    HG   SER  39           HG       SER  39  -6.819  -0.308 -11.012
  246    H    ARG  40           H        ARG  40 -10.026  -3.175 -10.238
  247    HA   ARG  40           HA       ARG  40 -10.070  -5.795  -8.881
  248   1HB   ARG  40          2HB       ARG  40 -12.084  -4.054  -9.919
  249   2HB   ARG  40          1HB       ARG  40 -12.164  -5.587 -10.784
  250   1HG   ARG  40          2HG       ARG  40 -11.805  -6.425  -8.195
  251   2HG   ARG  40          1HG       ARG  40 -12.796  -4.983  -7.971
  252   1HD   ARG  40          2HD       ARG  40 -13.523  -7.035 -10.055
  253   2HD   ARG  40          1HD       ARG  40 -14.006  -7.250  -8.373
  254    HE   ARG  40           HE       ARG  40 -14.742  -4.767  -9.863
  255   1HH1  ARG  40          1HH1      ARG  40 -15.463  -5.385  -6.938
  256   2HH1  ARG  40          2HH1      ARG  40 -17.112  -5.887  -7.114
  257   1HH2  ARG  40          1HH2      ARG  40 -16.882  -6.350 -10.543
  258   2HH2  ARG  40          2HH2      ARG  40 -17.915  -6.433  -9.155
  259    H    ALA  41           H        ALA  41  -9.911  -7.745 -10.125
  260    HA   ALA  41           HA       ALA  41  -8.079  -7.777 -12.247
  261   1HB   ALA  41          1HB       ALA  41  -8.903  -9.783 -10.920
  262   2HB   ALA  41          2HB       ALA  41  -8.758 -10.055 -12.657
  263   3HB   ALA  41          3HB       ALA  41 -10.343  -9.770 -11.938
  264    H    GLY  42           H        GLY  42  -8.891  -8.826 -14.530
  265   1HA   GLY  42          2HA       GLY  42  -9.991  -8.320 -16.551
  266   2HA   GLY  42          1HA       GLY  42 -11.369  -7.847 -15.565
  267    H    LYS  43           H        LYS  43  -8.221  -6.410 -15.031
  268    HA   LYS  43           HA       LYS  43  -9.352  -3.847 -16.037
  269   1HB   LYS  43          2HB       LYS  43  -8.825  -3.515 -13.775
  270   2HB   LYS  43          1HB       LYS  43  -7.373  -4.503 -13.874
  271   1HG   LYS  43          2HG       LYS  43  -6.660  -2.202 -13.753
  272   2HG   LYS  43          1HG       LYS  43  -6.390  -2.734 -15.408
  273   1HD   LYS  43          2HD       LYS  43  -7.463  -0.526 -15.393
  274   2HD   LYS  43          1HD       LYS  43  -8.558  -1.731 -16.072
  275   1HE   LYS  43          2HE       LYS  43  -9.785  -1.890 -14.002
  276   2HE   LYS  43          1HE       LYS  43  -8.597  -0.894 -13.162
  277   1HZ   LYS  43          1HZ       LYS  43 -10.610   0.334 -13.831
  278   2HZ   LYS  43          2HZ       LYS  43 -10.233   0.029 -15.459
  279   3HZ   LYS  43          3HZ       LYS  43  -9.192   0.974 -14.506
  280    H    ILE  44           H        ILE  44  -8.425  -2.934 -17.816
  281    HA   ILE  44           HA       ILE  44  -6.203  -4.316 -19.093
  282    HB   ILE  44           HB       ILE  44  -8.062  -3.296 -20.388
  283   1HG1  ILE  44          2HG1      ILE  44  -6.617  -2.147 -22.063
  284   2HG1  ILE  44          1HG1      ILE  44  -5.313  -2.104 -20.876
  285   1HG2  ILE  44          1HG2      ILE  44  -6.973  -0.578 -20.150
  286   2HG2  ILE  44          2HG2      ILE  44  -7.704  -1.178 -18.661
  287   3HG2  ILE  44          3HG2      ILE  44  -8.651  -1.121 -20.148
  288   1HD1  ILE  44          1HD1      ILE  44  -5.802  -4.167 -22.676
  289   2HD1  ILE  44          2HD1      ILE  44  -6.459  -4.776 -21.157
  290   3HD1  ILE  44          3HD1      ILE  44  -4.773  -4.265 -21.248
  291    H    CYS  45           H        CYS  45  -4.235  -4.024 -18.117
  292    HA   CYS  45           HA       CYS  45  -3.492  -1.456 -16.928
  293   1HB   CYS  45          2HB       CYS  45  -1.247  -2.630 -16.625
  294   2HB   CYS  45          1HB       CYS  45  -2.614  -3.381 -15.822
  295    H    ARG  46           H        ARG  46  -3.551  -2.636 -20.066
  296    HA   ARG  46           HA       ARG  46  -2.082  -0.368 -21.069
  297   1HB   ARG  46          2HB       ARG  46  -0.294  -2.099 -20.236
  298   2HB   ARG  46          1HB       ARG  46  -0.712  -2.962 -21.717
  299   1HG   ARG  46          2HG       ARG  46  -0.066  -1.124 -23.092
  300   2HG   ARG  46          1HG       ARG  46   0.007  -0.026 -21.712
  301   1HD   ARG  46          2HD       ARG  46   2.023  -0.894 -20.949
  302   2HD   ARG  46          1HD       ARG  46   1.752  -2.464 -21.708
  303    HE   ARG  46           HE       ARG  46   3.119  -0.254 -22.924
  304   1HH1  ARG  46          1HH1      ARG  46   3.229  -3.193 -23.727
  305   2HH1  ARG  46          2HH1      ARG  46   2.554  -3.130 -25.320
  306   1HH2  ARG  46          1HH2      ARG  46   1.199   0.036 -24.906
  307   2HH2  ARG  46          2HH2      ARG  46   1.404  -1.302 -25.989
  308    H    ILE  47           H        ILE  47  -2.242  -0.197 -23.370
  309    HA   ILE  47           HA       ILE  47  -4.297  -2.011 -24.524
  310    HB   ILE  47           HB       ILE  47  -4.925   0.286 -24.724
  311   1HG1  ILE  47          2HG1      ILE  47  -4.871   0.649 -27.182
  312   2HG1  ILE  47          1HG1      ILE  47  -3.651  -0.616 -27.327
  313   1HG2  ILE  47          1HG2      ILE  47  -3.342   1.923 -25.850
  314   2HG2  ILE  47          2HG2      ILE  47  -2.083   0.700 -25.681
  315   3HG2  ILE  47          3HG2      ILE  47  -2.844   1.385 -24.246
  316   1HD1  ILE  47          1HD1      ILE  47  -5.211  -2.266 -26.405
  317   2HD1  ILE  47          2HD1      ILE  47  -5.937  -1.472 -27.803
  318   3HD1  ILE  47          3HD1      ILE  47  -6.428  -1.011 -26.172
  319    H    ALA  48           H        ALA  48  -3.356  -3.716 -25.528
  320    HA   ALA  48           HA       ALA  48  -0.719  -3.912 -26.461
  321   1HB   ALA  48          1HB       ALA  48  -1.611  -5.801 -27.884
  322   2HB   ALA  48          2HB       ALA  48  -3.236  -5.322 -27.385
  323   3HB   ALA  48          3HB       ALA  48  -2.077  -5.888 -26.188
  324    H    LYS  49           H        LYS  49  -0.387  -4.458 -29.012
  325    HA   LYS  49           HA       LYS  49  -0.529  -1.926 -30.378
  326   1HB   LYS  49          2HB       LYS  49   0.166  -4.642 -31.415
  327   2HB   LYS  49          1HB       LYS  49   0.499  -3.131 -32.248
  328   1HG   LYS  49          2HG       LYS  49   1.502  -3.662 -29.448
  329   2HG   LYS  49          1HG       LYS  49   2.424  -4.153 -30.869
  330   1HD   LYS  49          2HD       LYS  49   1.392  -1.341 -30.707
  331   2HD   LYS  49          1HD       LYS  49   2.833  -1.780 -29.789
  332   1HE   LYS  49          2HE       LYS  49   3.201  -2.917 -32.337
  333   2HE   LYS  49          1HE       LYS  49   2.566  -1.297 -32.633
  334   1HZ   LYS  49          1HZ       LYS  49   4.886  -1.964 -30.902
  335   2HZ   LYS  49          2HZ       LYS  49   4.267  -0.404 -31.166
  336   3HZ   LYS  49          3HZ       LYS  49   4.969  -1.270 -32.448
  337    H    GLY  50           H        GLY  50  -1.515  -4.857 -32.030
  338   1HA   GLY  50          2HA       GLY  50  -4.262  -3.949 -32.267
  339   2HA   GLY  50          1HA       GLY  50  -3.345  -3.884 -33.770
  340    H    ASP  51           H        ASP  51  -5.334  -5.822 -31.912
  341    HA   ASP  51           HA       ASP  51  -6.116  -7.999 -32.408
  342   1HB   ASP  51          2HB       ASP  51  -4.563  -7.421 -34.647
  343   2HB   ASP  51          1HB       ASP  51  -3.921  -8.938 -34.019
  344    H    TRP  52           H        TRP  52  -5.761  -8.875 -30.406
  345    HA   TRP  52           HA       TRP  52  -4.048 -11.001 -29.983
  346   1HB   TRP  52          2HB       TRP  52  -2.411  -9.674 -28.315
  347   2HB   TRP  52          1HB       TRP  52  -2.014  -9.950 -30.000
  348    HD1  TRP  52           HD1      TRP  52  -0.640  -7.825 -30.370
  349    HE1  TRP  52           HE1      TRP  52  -1.195  -5.329 -30.442
  350    HE3  TRP  52           HE3      TRP  52  -5.377  -7.856 -28.441
  351    HZ2  TRP  52           HZ2      TRP  52  -3.356  -3.573 -29.772
  352    HZ3  TRP  52           HZ3      TRP  52  -6.647  -5.763 -28.194
  353    HH2  TRP  52           HH2      TRP  52  -5.618  -3.615 -28.874
  354    H    ASN  53           H        ASN  53  -3.340 -10.702 -27.237
  355    HA   ASN  53           HA       ASN  53  -6.063 -10.484 -26.057
  356   1HB   ASN  53          2HB       ASN  53  -3.756 -12.210 -25.610
  357   2HB   ASN  53          1HB       ASN  53  -4.310 -11.468 -24.108
  358   1HD2  ASN  53          1HD2      ASN  53  -5.425 -13.445 -26.877
  359   2HD2  ASN  53          2HD2      ASN  53  -6.760 -14.111 -26.068
  360    H    ASP  54           H        ASP  54  -6.475  -8.564 -25.061
  361    HA   ASP  54           HA       ASP  54  -4.537  -6.550 -24.578
  362   1HB   ASP  54          2HB       ASP  54  -7.358  -6.991 -23.934
  363   2HB   ASP  54          1HB       ASP  54  -6.518  -5.955 -22.784
  364    H    ASP  55           H        ASP  55  -3.627  -5.788 -22.586
  365    HA   ASP  55           HA       ASP  55  -2.854  -7.945 -20.776
  366   1HB   ASP  55          2HB       ASP  55  -1.568  -5.737 -21.615
  367   2HB   ASP  55          1HB       ASP  55  -2.237  -5.137 -20.104
  368    H    ARG  56           H        ARG  56  -4.166  -8.545 -19.127
  369    HA   ARG  56           HA       ARG  56  -5.997  -6.516 -17.936
  370   1HB   ARG  56          2HB       ARG  56  -6.596  -8.955 -18.966
  371   2HB   ARG  56          1HB       ARG  56  -6.308  -9.381 -17.278
  372   1HG   ARG  56          2HG       ARG  56  -8.213  -8.404 -16.610
  373   2HG   ARG  56          1HG       ARG  56  -7.868  -6.936 -17.525
  374   1HD   ARG  56          2HD       ARG  56  -9.910  -7.978 -18.390
  375   2HD   ARG  56          1HD       ARG  56  -8.632  -8.076 -19.601
  376    HE   ARG  56           HE       ARG  56  -8.315 -10.463 -18.877
  377   1HH1  ARG  56          1HH1      ARG  56  -9.901 -10.477 -16.385
  378   2HH1  ARG  56          2HH1      ARG  56 -11.418 -11.139 -16.896
  379   1HH2  ARG  56          1HH2      ARG  56 -10.831 -10.571 -20.266
  380   2HH2  ARG  56          2HH2      ARG  56 -11.945 -11.192 -19.094
  381    H    CYS  57           H        CYS  57  -6.303  -6.650 -15.599
  382    HA   CYS  57           HA       CYS  57  -3.822  -7.532 -14.187
  383   1HB   CYS  57          2HB       CYS  57  -5.751  -5.270 -13.717
  384   2HB   CYS  57          1HB       CYS  57  -4.819  -5.922 -12.376
  385    H    THR  58           H        THR  58  -4.279  -8.373 -11.951
  386    HA   THR  58           HA       THR  58  -6.669 -10.100 -12.015
  387    HB   THR  58           HB       THR  58  -5.588 -11.426 -10.424
  388    HG1  THR  58           HG1      THR  58  -4.499  -8.978  -9.621
  389   1HG2  THR  58          1HG2      THR  58  -3.120 -10.082 -11.490
  390   2HG2  THR  58          2HG2      THR  58  -4.207 -10.927 -12.593
  391   3HG2  THR  58          3HG2      THR  58  -3.441 -11.803 -11.268
  392    H    GLY  59           H        GLY  59  -7.273 -10.367  -9.328
  393   1HA   GLY  59          2HA       GLY  59  -8.484  -7.709  -8.778
  394   2HA   GLY  59          1HA       GLY  59  -9.030  -9.241  -8.098
  395    H    GLN  60           H        GLN  60  -5.624  -8.777  -8.099
  396    HA   GLN  60           HA       GLN  60  -5.568  -7.518  -5.441
  397   1HB   GLN  60          2HB       GLN  60  -4.537  -9.382  -4.304
  398   2HB   GLN  60          1HB       GLN  60  -6.033  -9.962  -5.037
  399   1HG   GLN  60          2HG       GLN  60  -4.915 -11.436  -6.319
  400   2HG   GLN  60          1HG       GLN  60  -3.827 -10.177  -6.905
  401   1HE2  GLN  60          1HE2      GLN  60  -4.345 -11.699  -3.664
  402   2HE2  GLN  60          2HE2      GLN  60  -2.705 -12.050  -3.409
  403    H    SER  61           H        SER  61  -4.330  -7.515  -8.373
  404    HA   SER  61           HA       SER  61  -1.509  -7.198  -7.431
  405   1HB   SER  61          2HB       SER  61  -2.133  -7.513 -10.313
  406   2HB   SER  61          1HB       SER  61  -0.714  -8.032  -9.419
  407    HG   SER  61           HG       SER  61  -2.012  -9.810  -9.959
  408    H    ALA  62           H        ALA  62  -0.405  -5.304  -8.048
  409    HA   ALA  62           HA       ALA  62  -2.186  -3.130  -9.038
  410   1HB   ALA  62          1HB       ALA  62  -1.273  -2.338  -7.059
  411   2HB   ALA  62          2HB       ALA  62  -0.067  -1.759  -8.209
  412   3HB   ALA  62          3HB       ALA  62   0.235  -3.227  -7.278
  413    H    ASP  63           H        ASP  63   1.276  -4.036  -9.333
  414    HA   ASP  63           HA       ASP  63   1.746  -2.523 -11.688
  415   1HB   ASP  63          2HB       ASP  63   3.129  -5.102 -11.042
  416   2HB   ASP  63          1HB       ASP  63   3.786  -3.711 -11.891
  417    H    CYS  64           H        CYS  64   2.571  -3.900 -13.762
  418    HA   CYS  64           HA       CYS  64   0.567  -5.993 -14.422
  419   1HB   CYS  64          2HB       CYS  64  -0.543  -4.036 -15.240
  420   2HB   CYS  64          1HB       CYS  64   0.954  -3.381 -15.901
  421    HA   PRO  65           HA       PRO  65   4.127  -7.721 -16.273
  422   1HB   PRO  65          2HB       PRO  65   2.806  -9.794 -17.474
  423   2HB   PRO  65          1HB       PRO  65   3.209  -9.769 -15.758
  424   1HG   PRO  65          2HG       PRO  65   0.578  -9.401 -17.098
  425   2HG   PRO  65          1HG       PRO  65   0.932  -9.950 -15.449
  426   1HD   PRO  65          2HD       PRO  65   0.064  -7.365 -16.194
  427   2HD   PRO  65          1HD       PRO  65   0.715  -7.840 -14.611
  428    H    ARG  66           H        ARG  66   4.859  -6.425 -17.969
  429    HA   ARG  66           HA       ARG  66   3.285  -5.757 -20.273
  430   1HB   ARG  66          2HB       ARG  66   5.453  -4.954 -21.212
  431   2HB   ARG  66          1HB       ARG  66   5.155  -4.348 -19.583
  432   1HG   ARG  66          2HG       ARG  66   7.131  -5.222 -18.958
  433   2HG   ARG  66          1HG       ARG  66   6.459  -6.827 -19.249
  434   1HD   ARG  66          2HD       ARG  66   8.348  -6.802 -20.643
  435   2HD   ARG  66          1HD       ARG  66   7.045  -6.359 -21.746
  436    HE   ARG  66           HE       ARG  66   8.123  -4.290 -22.017
  437   1HH1  ARG  66          1HH2      ARG  66  10.706  -5.284 -21.000
  438   2HH1  ARG  66          2HH2      ARG  66  11.030  -4.231 -19.664
  439   1HH2  ARG  66          1HH1      ARG  66   7.758  -3.114 -19.410
  440   2HH2  ARG  66          2HH1      ARG  66   9.361  -3.003 -18.763
  441    H    TYR  67           H        TYR  67   4.471  -6.292 -22.546
  442    HA   TYR  67           HA       TYR  67   5.691  -8.844 -22.878
  443   1HB   TYR  67          2HB       TYR  67   3.762 -10.110 -23.786
  444   2HB   TYR  67          1HB       TYR  67   3.527  -9.709 -22.085
  445    HD1  TYR  67           HD1      TYR  67   2.175  -9.444 -25.397
  446    HD2  TYR  67           HD2      TYR  67   2.208  -7.560 -21.538
  447    HE1  TYR  67           HE1      TYR  67   0.078  -8.245 -25.962
  448    HE2  TYR  67           HE2      TYR  67   0.115  -6.362 -22.103
  449    HH   TYR  67           HH       TYR  67  -1.003  -5.625 -24.456
  450    H    HIS  68           HN       HIS  68   3.314  -6.624 -24.370
  451    HA   HIS  68           HA       HIS  68   4.767  -6.956 -26.953
  452   1HB   HIS  68          2HB       HIS  68   1.977  -6.522 -26.234
  453   2HB   HIS  68          1HB       HIS  68   2.539  -5.309 -27.382
  454    HD1  HIS  68           HD1      HIS  68   1.205  -6.386 -29.342
  455    HD2  HIS  68           HD2      HIS  68   4.028  -8.928 -27.626
  456    HE1  HIS  68           HE1      HIS  68   1.453  -8.349 -30.922
  Start of MODEL   16
    1   1H    GLY   1          1HT       GLY   1  12.819  -8.800  -0.548
    2   2H    GLY   1          2HT       GLY   1  12.138 -10.166  -1.294
    3   3H    GLY   1          3HT       GLY   1  11.153  -8.850  -0.867
    4   1HA   GLY   1          1HA       GLY   1  13.360  -8.199  -2.626
    5   2HA   GLY   1          2HA       GLY   1  12.126  -9.249  -3.323
    6    H    LYS   2           H        LYS   2  12.875  -6.199  -3.471
    7    HA   LYS   2           HA       LYS   2  11.669  -4.217  -3.840
    8   1HB   LYS   2          2HB       LYS   2   9.448  -6.266  -4.072
    9   2HB   LYS   2          1HB       LYS   2   9.218  -4.549  -4.401
   10   1HG   LYS   2          2HG       LYS   2   9.680  -5.704  -6.497
   11   2HG   LYS   2          1HG       LYS   2  11.053  -4.672  -6.094
   12   1HD   LYS   2          2HD       LYS   2  12.405  -6.477  -5.487
   13   2HD   LYS   2          1HD       LYS   2  11.026  -7.531  -5.169
   14   1HE   LYS   2          2HE       LYS   2  11.691  -8.384  -7.211
   15   2HE   LYS   2          1HE       LYS   2  10.580  -7.131  -7.765
   16   1HZ   LYS   2          1HZ       LYS   2  12.679  -5.655  -7.683
   17   2HZ   LYS   2          2HZ       LYS   2  12.459  -6.709  -8.997
   18   3HZ   LYS   2          3HZ       LYS   2  13.523  -7.125  -7.740
   19    H    GLU   3           H        GLU   3  12.180  -3.709  -1.532
   20    HA   GLU   3           HA       GLU   3   9.836  -4.020   0.278
   21   1HB   GLU   3          2HB       GLU   3  12.643  -4.205   0.693
   22   2HB   GLU   3          1HB       GLU   3  12.060  -2.804   1.590
   23   1HG   GLU   3          2HG       GLU   3  10.218  -4.282   2.507
   24   2HG   GLU   3          1HG       GLU   3  11.061  -5.654   1.787
   25    H    CYS   4           H        CYS   4   9.652  -2.137  -1.823
   26    HA   CYS   4           HA       CYS   4   9.349   0.323  -0.226
   27   1HB   CYS   4          2HB       CYS   4  11.572   0.400  -1.430
   28   2HB   CYS   4          1HB       CYS   4  10.641   0.428  -2.909
   29    H    ASP   5           H        ASP   5   7.178  -0.828  -0.566
   30    HA   ASP   5           HA       ASP   5   5.703  -1.165  -2.810
   31   1HB   ASP   5          2HB       ASP   5   5.049  -0.809  -0.192
   32   2HB   ASP   5          1HB       ASP   5   4.341   0.642  -0.905
   33    H    CYS   6           H        CYS   6   6.824   1.970  -1.623
   34    HA   CYS   6           HA       CYS   6   6.164   3.103  -4.265
   35   1HB   CYS   6          2HB       CYS   6   4.337   4.218  -3.586
   36   2HB   CYS   6          1HB       CYS   6   4.502   3.520  -1.985
   37    H    SER   7           H        SER   7   7.739   4.511  -4.911
   38    HA   SER   7           HA       SER   7   9.945   5.030  -3.014
   39   1HB   SER   7          2HB       SER   7  10.774   6.174  -5.319
   40   2HB   SER   7          1HB       SER   7  10.956   4.453  -4.988
   41    HG   SER   7           HG       SER   7   9.008   5.791  -6.531
   42    H    SER   8           H        SER   8   7.107   6.547  -3.776
   43    HA   SER   8           HA       SER   8   8.163   9.289  -3.872
   44   1HB   SER   8          2HB       SER   8   5.713   8.010  -4.560
   45   2HB   SER   8          1HB       SER   8   5.363   9.246  -3.357
   46    HG   SER   8           HG       SER   8   5.495   9.842  -5.712
   47    HA   PRO   9           HA       PRO   9   8.099   9.269   0.623
   48   1HB   PRO   9          2HB       PRO   9   9.442  11.657   0.871
   49   2HB   PRO   9          1HB       PRO   9  10.246  10.104   0.592
   50   1HG   PRO   9          2HG       PRO   9   9.765  12.342  -1.323
   51   2HG   PRO   9          1HG       PRO   9  11.052  11.124  -1.320
   52   1HD   PRO   9          2HD       PRO   9   8.766  11.087  -2.976
   53   2HD   PRO   9          1HD       PRO   9   9.857   9.716  -2.684
   54    H    GLU  10           H        GLU  10   6.764  11.518  -1.625
   55    HA   GLU  10           HA       GLU  10   5.423  13.106   0.488
   56   1HB   GLU  10          2HB       GLU  10   5.072  13.313  -2.516
   57   2HB   GLU  10          1HB       GLU  10   4.655  14.524  -1.304
   58   1HG   GLU  10          2HG       GLU  10   7.354  13.989  -0.830
   59   2HG   GLU  10          1HG       GLU  10   7.220  14.008  -2.589
   60    H    ASN  11           H        ASN  11   4.847  10.473  -1.685
   61    HA   ASN  11           HA       ASN  11   2.006  10.546  -1.817
   62   1HB   ASN  11          2HB       ASN  11   3.436   9.124  -3.252
   63   2HB   ASN  11          1HB       ASN  11   3.863   8.153  -1.846
   64   1HD2  ASN  11          1HD2      ASN  11   2.852   6.253  -2.879
   65   2HD2  ASN  11          2HD2      ASN  11   1.164   6.099  -2.928
   66    HA   PRO  12           HA       PRO  12   1.320   9.577   2.494
   67   1HB   PRO  12          2HB       PRO  12  -1.424   9.708   2.345
   68   2HB   PRO  12          1HB       PRO  12  -0.373  11.130   2.470
   69   1HG   PRO  12          2HG       PRO  12  -1.835  10.075   0.090
   70   2HG   PRO  12          1HG       PRO  12  -1.348  11.737   0.463
   71   1HD   PRO  12          2HD       PRO  12  -0.034  10.016  -1.338
   72   2HD   PRO  12          1HD       PRO  12   0.637  11.514  -0.663
   73    H    CYS  13           H        CYS  13   0.491   7.688  -0.230
   74    HA   CYS  13           HA       CYS  13  -0.792   5.565   1.399
   75   1HB   CYS  13          2HB       CYS  13  -1.097   6.372  -1.258
   76   2HB   CYS  13          1HB       CYS  13  -0.238   4.835  -1.340
   77    H    CYS  14           H        CYS  14   2.004   6.238   1.904
   78    HA   CYS  14           HA       CYS  14   3.045   3.581   1.962
   79   1HB   CYS  14          2HB       CYS  14   5.000   4.018   0.373
   80   2HB   CYS  14          1HB       CYS  14   3.434   3.718  -0.380
   81    H    ASP  15           H        ASP  15   4.370   3.557   3.671
   82    HA   ASP  15           HA       ASP  15   5.174   5.840   5.111
   83   1HB   ASP  15          2HB       ASP  15   5.163   3.370   5.831
   84   2HB   ASP  15          1HB       ASP  15   6.751   3.297   5.079
   85    H    ALA  16           H        ALA  16   6.870   7.245   4.878
   86    HA   ALA  16           HA       ALA  16   8.645   6.833   2.559
   87   1HB   ALA  16          1HB       ALA  16   7.676   8.971   2.445
   88   2HB   ALA  16          2HB       ALA  16   9.263   9.290   3.145
   89   3HB   ALA  16          3HB       ALA  16   7.837   9.231   4.182
   90    H    ALA  17           H        ALA  17   8.825   5.800   5.560
   91    HA   ALA  17           HA       ALA  17  11.702   6.572   5.881
   92   1HB   ALA  17          1HB       ALA  17   9.549   6.060   7.936
   93   2HB   ALA  17          2HB       ALA  17  10.607   7.463   7.784
   94   3HB   ALA  17          3HB       ALA  17  11.260   5.924   8.346
   95    H    THR  18           H        THR  18   9.496   4.095   5.262
   96    HA   THR  18           HA       THR  18  11.595   2.056   5.798
   97    HB   THR  18           HB       THR  18   8.705   2.067   6.527
   98    HG1  THR  18           HG1      THR  18   9.745   2.191   8.333
   99   1HG2  THR  18          1HG2      THR  18   8.869   0.102   5.116
  100   2HG2  THR  18          2HG2      THR  18   8.820  -0.414   6.802
  101   3HG2  THR  18          3HG2      THR  18  10.353  -0.396   5.930
  102    H    CYS  19           H        CYS  19   9.921   3.657   3.487
  103    HA   CYS  19           HA       CYS  19   9.392   3.193   1.246
  104   1HB   CYS  19          2HB       CYS  19  11.766   1.714   1.909
  105   2HB   CYS  19          1HB       CYS  19  10.814   0.831   0.732
  106    H    LYS  20           H        LYS  20   7.194   2.617   1.766
  107    HA   LYS  20           HA       LYS  20   6.391   0.075   0.787
  108   1HB   LYS  20          2HB       LYS  20   6.875   0.215   3.714
  109   2HB   LYS  20          1HB       LYS  20   5.370  -0.550   3.196
  110   1HG   LYS  20          2HG       LYS  20   7.448  -1.483   1.481
  111   2HG   LYS  20          1HG       LYS  20   8.008  -1.652   3.146
  112   1HD   LYS  20          2HD       LYS  20   6.097  -2.962   3.750
  113   2HD   LYS  20          1HD       LYS  20   5.275  -2.580   2.237
  114   1HE   LYS  20          2HE       LYS  20   6.970  -3.819   0.972
  115   2HE   LYS  20          1HE       LYS  20   7.861  -4.150   2.458
  116   1HZ   LYS  20          1HZ       LYS  20   5.266  -4.947   2.935
  117   2HZ   LYS  20          2HZ       LYS  20   6.615  -5.949   2.686
  118   3HZ   LYS  20          3HZ       LYS  20   5.623  -5.513   1.378
  119    H    LEU  21           H        LEU  21   3.982  -0.308   1.279
  120    HA   LEU  21           HA       LEU  21   2.572   2.201   0.854
  121   1HB   LEU  21          2HB       LEU  21   1.900  -0.675   0.924
  122   2HB   LEU  21          1HB       LEU  21   0.614   0.404   1.459
  123    HG   LEU  21           HG       LEU  21   2.082   1.057  -1.078
  124   1HD1  LEU  21          1HD1      LEU  21   0.898  -0.470  -2.364
  125   2HD1  LEU  21          2HD1      LEU  21  -0.371  -0.654  -1.154
  126   3HD1  LEU  21          3HD1      LEU  21   1.194  -1.431  -0.915
  127   1HD2  LEU  21          1HD2      LEU  21   0.384   2.533  -1.298
  128   2HD2  LEU  21          2HD2      LEU  21  -0.034   2.149   0.372
  129   3HD2  LEU  21          3HD2      LEU  21  -0.823   1.293  -0.954
  130    H    ARG  22           H        ARG  22   0.482   2.495   2.188
  131    HA   ARG  22           HA       ARG  22   1.255   2.476   5.047
  132   1HB   ARG  22          2HB       ARG  22  -0.535   4.051   5.388
  133   2HB   ARG  22          1HB       ARG  22   0.298   4.565   3.920
  134   1HG   ARG  22          2HG       ARG  22  -1.784   4.558   3.002
  135   2HG   ARG  22          1HG       ARG  22  -1.547   2.812   2.905
  136   1HD   ARG  22          2HD       ARG  22  -2.809   2.408   4.848
  137   2HD   ARG  22          1HD       ARG  22  -2.644   4.069   5.413
  138    HE   ARG  22           HE       ARG  22  -4.209   3.539   2.937
  139   1HH1  ARG  22          1HH2      ARG  22  -3.802   6.035   4.900
  140   2HH1  ARG  22          2HH2      ARG  22  -5.419   6.143   5.513
  141   1HH2  ARG  22          1HH1      ARG  22  -6.372   3.041   4.290
  142   2HH2  ARG  22          2HH1      ARG  22  -6.873   4.447   5.170
  143    HA   PRO  23           HA       PRO  23  -1.137  -1.194   5.582
  144   1HB   PRO  23          2HB       PRO  23  -1.533  -0.940   8.311
  145   2HB   PRO  23          1HB       PRO  23  -0.041  -1.548   7.570
  146   1HG   PRO  23          2HG       PRO  23  -0.613   1.186   8.689
  147   2HG   PRO  23          1HG       PRO  23   0.898   0.255   8.717
  148   1HD   PRO  23          2HD       PRO  23   0.457   2.319   6.929
  149   2HD   PRO  23          1HD       PRO  23   1.525   0.947   6.590
  150    H    GLY  24           H        GLY  24  -2.895  -0.256   4.345
  151   1HA   GLY  24          2HA       GLY  24  -5.405  -0.247   5.655
  152   2HA   GLY  24          1HA       GLY  24  -4.934   1.434   5.376
  153    H    ALA  25           H        ALA  25  -3.709   1.444   3.016
  154    HA   ALA  25           HA       ALA  25  -5.832   0.892   1.107
  155   1HB   ALA  25          1HB       ALA  25  -3.033   1.982   0.724
  156   2HB   ALA  25          2HB       ALA  25  -4.480   2.953   0.988
  157   3HB   ALA  25          3HB       ALA  25  -4.314   2.002  -0.488
  158    H    GLN  26           H        GLN  26  -4.276   0.260  -1.169
  159    HA   GLN  26           HA       GLN  26  -2.896  -2.277  -0.512
  160   1HB   GLN  26          2HB       GLN  26  -5.578  -2.137  -1.510
  161   2HB   GLN  26          1HB       GLN  26  -4.541  -2.852  -2.745
  162   1HG   GLN  26          2HG       GLN  26  -3.930  -4.641  -1.384
  163   2HG   GLN  26          1HG       GLN  26  -4.263  -3.753   0.099
  164   1HE2  GLN  26          1HE2      GLN  26  -5.389  -6.263  -0.042
  165   2HE2  GLN  26          2HE2      GLN  26  -7.058  -6.162  -0.330
  166    H    CYS  27           H        CYS  27  -2.506   0.516  -1.874
  167    HA   CYS  27           HA       CYS  27  -0.462  -0.274  -3.673
  168   1HB   CYS  27          2HB       CYS  27  -1.416   0.063  -5.833
  169   2HB   CYS  27          1HB       CYS  27  -2.524  -1.012  -4.981
  170    H    GLY  28           H        GLY  28   0.873   1.465  -3.748
  171   1HA   GLY  28          2HA       GLY  28  -0.302   4.122  -3.117
  172   2HA   GLY  28          1HA       GLY  28   1.388   3.686  -2.882
  173    H    GLU  29           H        GLU  29   0.902   2.339  -5.737
  174    HA   GLU  29           HA       GLU  29   0.539   4.465  -7.586
  175   1HB   GLU  29          2HB       GLU  29   2.949   4.838  -8.207
  176   2HB   GLU  29          1HB       GLU  29   2.507   5.494  -6.635
  177   1HG   GLU  29          2HG       GLU  29   3.659   3.837  -5.466
  178   2HG   GLU  29          1HG       GLU  29   3.595   2.699  -6.813
  179    H    GLY  30           H        GLY  30   0.151   3.440  -9.488
  180   1HA   GLY  30          2HA       GLY  30   1.831   1.465 -10.654
  181   2HA   GLY  30          1HA       GLY  30   0.504   0.643  -9.837
  182    H    LEU  31           H        LEU  31   0.437   0.211 -12.449
  183    HA   LEU  31           HA       LEU  31  -0.841   2.266 -14.022
  184   1HB   LEU  31          2HB       LEU  31   0.026  -0.454 -14.404
  185   2HB   LEU  31          1HB       LEU  31  -1.568  -0.215 -15.106
  186    HG   LEU  31           HG       LEU  31   0.710   1.711 -15.583
  187   1HD1  LEU  31          1HD1      LEU  31  -0.141  -0.515 -17.445
  188   2HD1  LEU  31          2HD1      LEU  31   1.205  -0.690 -16.319
  189   3HD1  LEU  31          3HD1      LEU  31   1.268   0.535 -17.584
  190   1HD2  LEU  31          1HD2      LEU  31  -1.267   1.352 -17.679
  191   2HD2  LEU  31          2HD2      LEU  31  -0.821   2.823 -16.814
  192   3HD2  LEU  31          3HD2      LEU  31  -2.047   1.745 -16.147
  193    H    CYS  32           H        CYS  32  -2.011  -0.439 -12.083
  194    HA   CYS  32           HA       CYS  32  -4.787   0.567 -12.531
  195   1HB   CYS  32          2HB       CYS  32  -5.297  -1.883 -11.634
  196   2HB   CYS  32          1HB       CYS  32  -4.959  -1.589 -13.336
  197    H    CYS  33           H        CYS  33  -3.045   1.684 -10.558
  198    HA   CYS  33           HA       CYS  33  -3.968   0.496  -7.999
  199   1HB   CYS  33          2HB       CYS  33  -1.664   1.152  -7.948
  200   2HB   CYS  33          1HB       CYS  33  -2.023   2.718  -8.670
  201    H    GLU  34           H        GLU  34  -6.205   1.022  -8.122
  202    HA   GLU  34           HA       GLU  34  -7.278   3.558  -8.789
  203   1HB   GLU  34          2HB       GLU  34  -8.393   1.207  -8.255
  204   2HB   GLU  34          1HB       GLU  34  -8.579   1.939  -6.667
  205   1HG   GLU  34          2HG       GLU  34 -10.257   3.259  -7.386
  206   2HG   GLU  34          1HG       GLU  34  -9.291   3.822  -8.751
  207    H    GLN  35           H        GLN  35  -8.792   4.384  -6.571
  208    HA   GLN  35           HA       GLN  35  -6.999   6.130  -5.253
  209   1HB   GLN  35          2HB       GLN  35  -8.925   6.301  -3.536
  210   2HB   GLN  35          1HB       GLN  35  -9.291   6.738  -5.205
  211   1HG   GLN  35          2HG       GLN  35  -9.654   3.911  -4.911
  212   2HG   GLN  35          1HG       GLN  35 -10.534   4.725  -3.618
  213   1HE2  GLN  35          1HE2      GLN  35 -12.671   4.902  -4.321
  214   2HE2  GLN  35          2HE2      GLN  35 -13.143   5.461  -5.853
  215    H    CYS  36           H        CYS  36  -5.240   4.892  -4.462
  216    HA   CYS  36           HA       CYS  36  -4.107   3.443  -2.994
  217   1HB   CYS  36          2HB       CYS  36  -6.134   4.922  -1.335
  218   2HB   CYS  36          1HB       CYS  36  -5.109   3.705  -0.591
  219    H    LYS  37           H        LYS  37  -5.949   2.020  -4.545
  220    HA   LYS  37           HA       LYS  37  -6.597  -0.169  -2.672
  221   1HB   LYS  37          2HB       LYS  37  -8.616   1.469  -2.978
  222   2HB   LYS  37          1HB       LYS  37  -8.761   0.712  -4.565
  223   1HG   LYS  37          2HG       LYS  37  -9.097  -1.451  -3.617
  224   2HG   LYS  37          1HG       LYS  37  -8.583  -0.907  -2.019
  225   1HD   LYS  37          2HD       LYS  37 -10.829   0.637  -3.127
  226   2HD   LYS  37          1HD       LYS  37 -11.202  -1.065  -2.850
  227   1HE   LYS  37          2HE       LYS  37 -11.031  -0.871  -0.583
  228   2HE   LYS  37          1HE       LYS  37  -9.691   0.271  -0.682
  229   1HZ   LYS  37          1HZ       LYS  37 -12.089   1.384  -1.735
  230   2HZ   LYS  37          2HZ       LYS  37 -11.079   1.972  -0.501
  231   3HZ   LYS  37          3HZ       LYS  37 -12.314   0.864  -0.136
  232    H    PHE  38           H        PHE  38  -6.699  -2.203  -3.728
  233    HA   PHE  38           HA       PHE  38  -5.264  -2.381  -6.235
  234   1HB   PHE  38          2HB       PHE  38  -6.551  -4.304  -4.342
  235   2HB   PHE  38          1HB       PHE  38  -6.237  -4.860  -5.985
  236    HD1  PHE  38           HD1      PHE  38  -4.920  -5.312  -2.995
  237    HD2  PHE  38           HD2      PHE  38  -3.751  -3.454  -6.686
  238    HE1  PHE  38           HE1      PHE  38  -2.538  -5.671  -2.418
  239    HE2  PHE  38           HE2      PHE  38  -1.364  -3.816  -6.107
  240    HZ   PHE  38           HZ       PHE  38  -0.759  -4.923  -3.974
  241    H    SER  39           H        SER  39  -6.154  -2.159  -8.249
  242    HA   SER  39           HA       SER  39  -8.973  -1.810  -8.659
  243   1HB   SER  39          2HB       SER  39  -8.463  -1.626 -10.955
  244   2HB   SER  39          1HB       SER  39  -6.973  -1.100 -10.178
  245    HG   SER  39           HG       SER  39  -6.491  -3.511 -10.320
  246    H    ARG  40           H        ARG  40 -10.394  -3.315  -9.882
  247    HA   ARG  40           HA       ARG  40 -10.139  -6.012  -8.879
  248   1HB   ARG  40          2HB       ARG  40 -12.222  -4.416  -9.891
  249   2HB   ARG  40          1HB       ARG  40 -12.078  -5.783 -10.992
  250   1HG   ARG  40          2HG       ARG  40 -12.170  -7.340  -9.077
  251   2HG   ARG  40          1HG       ARG  40 -12.343  -5.969  -7.981
  252   1HD   ARG  40          2HD       ARG  40 -14.351  -5.379  -9.645
  253   2HD   ARG  40          1HD       ARG  40 -14.315  -7.125  -9.900
  254    HE   ARG  40           HE       ARG  40 -14.401  -7.149  -7.257
  255   1HH1  ARG  40          1HH2      ARG  40 -15.052  -4.075  -7.904
  256   2HH1  ARG  40          2HH2      ARG  40 -16.739  -4.089  -7.511
  257   1HH2  ARG  40          1HH1      ARG  40 -16.952  -7.548  -7.388
  258   2HH2  ARG  40          2HH1      ARG  40 -17.815  -6.056  -7.218
  259    H    ALA  41           H        ALA  41  -9.582  -7.873 -10.028
  260    HA   ALA  41           HA       ALA  41  -7.688  -7.769 -12.071
  261   1HB   ALA  41          1HB       ALA  41  -7.870 -10.070 -12.169
  262   2HB   ALA  41          2HB       ALA  41  -9.633 -10.033 -12.166
  263   3HB   ALA  41          3HB       ALA  41  -8.744  -9.794 -10.661
  264    H    GLY  42           H        GLY  42  -8.162  -8.814 -14.370
  265   1HA   GLY  42          2HA       GLY  42  -9.182  -8.548 -16.462
  266   2HA   GLY  42          1HA       GLY  42 -10.695  -8.291 -15.595
  267    H    LYS  43           H        LYS  43  -8.124  -6.234 -14.633
  268    HA   LYS  43           HA       LYS  43  -9.529  -3.925 -15.777
  269   1HB   LYS  43          2HB       LYS  43  -8.758  -3.456 -13.604
  270   2HB   LYS  43          1HB       LYS  43  -7.235  -4.298 -13.866
  271   1HG   LYS  43          2HG       LYS  43  -6.699  -1.967 -13.888
  272   2HG   LYS  43          1HG       LYS  43  -6.672  -2.469 -15.568
  273   1HD   LYS  43          2HD       LYS  43  -8.166  -0.842 -16.002
  274   2HD   LYS  43          1HD       LYS  43  -9.344  -1.762 -15.065
  275   1HE   LYS  43          2HE       LYS  43  -7.778  -0.506 -13.130
  276   2HE   LYS  43          1HE       LYS  43  -7.974   0.720 -14.382
  277   1HZ   LYS  43          1HZ       LYS  43 -10.406   0.127 -14.338
  278   2HZ   LYS  43          2HZ       LYS  43  -9.815   0.937 -12.966
  279   3HZ   LYS  43          3HZ       LYS  43 -10.092  -0.739 -12.914
  280    H    ILE  44           H        ILE  44  -8.865  -2.907 -17.680
  281    HA   ILE  44           HA       ILE  44  -6.698  -4.167 -19.154
  282    HB   ILE  44           HB       ILE  44  -8.823  -2.226 -19.721
  283   1HG1  ILE  44          2HG1      ILE  44  -8.871  -4.548 -20.490
  284   2HG1  ILE  44          1HG1      ILE  44  -8.777  -3.463 -21.880
  285   1HG2  ILE  44          1HG2      ILE  44  -7.495  -1.565 -21.877
  286   2HG2  ILE  44          2HG2      ILE  44  -6.072  -1.925 -20.900
  287   3HG2  ILE  44          3HG2      ILE  44  -7.198  -0.667 -20.388
  288   1HD1  ILE  44          1HD1      ILE  44  -7.048  -4.838 -22.481
  289   2HD1  ILE  44          2HD1      ILE  44  -6.753  -5.359 -20.822
  290   3HD1  ILE  44          3HD1      ILE  44  -6.137  -3.805 -21.379
  291    H    CYS  45           H        CYS  45  -4.691  -3.782 -18.376
  292    HA   CYS  45           HA       CYS  45  -3.942  -1.040 -17.519
  293   1HB   CYS  45          2HB       CYS  45  -1.831  -2.159 -16.787
  294   2HB   CYS  45          1HB       CYS  45  -3.269  -2.824 -16.015
  295    H    ARG  46           H        ARG  46  -3.571  -3.280 -20.129
  296    HA   ARG  46           HA       ARG  46  -2.173  -1.261 -21.717
  297   1HB   ARG  46          2HB       ARG  46  -0.588  -3.043 -20.233
  298   2HB   ARG  46          1HB       ARG  46  -0.580  -3.679 -21.879
  299   1HG   ARG  46          2HG       ARG  46   0.958  -2.111 -22.381
  300   2HG   ARG  46          1HG       ARG  46  -0.316  -0.907 -22.186
  301   1HD   ARG  46          2HD       ARG  46   0.419  -1.458 -19.572
  302   2HD   ARG  46          1HD       ARG  46   1.957  -1.511 -20.436
  303    HE   ARG  46           HE       ARG  46   0.119   0.848 -20.419
  304   1HH1  ARG  46          1HH1      ARG  46   1.980   0.798 -22.735
  305   2HH1  ARG  46          2HH1      ARG  46   3.364   1.642 -22.124
  306   1HH2  ARG  46          1HH2      ARG  46   2.437   1.316 -18.803
  307   2HH2  ARG  46          2HH2      ARG  46   3.620   1.935 -19.904
  308    H    ILE  47           H        ILE  47  -1.167  -3.015 -23.696
  309    HA   ILE  47           HA       ILE  47  -3.483  -4.696 -24.483
  310    HB   ILE  47           HB       ILE  47  -3.945  -2.460 -25.414
  311   1HG1  ILE  47          2HG1      ILE  47  -2.950  -4.289 -27.615
  312   2HG1  ILE  47          1HG1      ILE  47  -4.428  -4.602 -26.704
  313   1HG2  ILE  47          1HG2      ILE  47  -1.999  -2.174 -27.407
  314   2HG2  ILE  47          2HG2      ILE  47  -1.088  -2.593 -25.956
  315   3HG2  ILE  47          3HG2      ILE  47  -2.157  -1.191 -25.953
  316   1HD1  ILE  47          1HD1      ILE  47  -4.328  -1.848 -27.616
  317   2HD1  ILE  47          2HD1      ILE  47  -5.574  -3.068 -27.889
  318   3HD1  ILE  47          3HD1      ILE  47  -4.182  -2.970 -28.968
  319    H    ALA  48           H        ALA  48  -2.934  -6.052 -26.409
  320    HA   ALA  48           HA       ALA  48  -0.255  -7.114 -26.169
  321   1HB   ALA  48          1HB       ALA  48  -0.970  -8.825 -27.634
  322   2HB   ALA  48          2HB       ALA  48  -2.174  -7.785 -28.395
  323   3HB   ALA  48          3HB       ALA  48  -2.436  -8.384 -26.757
  324    H    LYS  49           H        LYS  49   0.438  -7.737 -28.798
  325    HA   LYS  49           HA       LYS  49   1.161  -5.046 -29.841
  326   1HB   LYS  49          2HB       LYS  49   2.412  -7.728 -30.369
  327   2HB   LYS  49          1HB       LYS  49   2.997  -6.195 -30.998
  328   1HG   LYS  49          2HG       LYS  49   2.635  -5.999 -28.146
  329   2HG   LYS  49          1HG       LYS  49   3.647  -7.395 -28.519
  330   1HD   LYS  49          2HD       LYS  49   5.308  -5.823 -28.573
  331   2HD   LYS  49          1HD       LYS  49   4.722  -5.579 -30.218
  332   1HE   LYS  49          2HE       LYS  49   3.192  -3.801 -29.377
  333   2HE   LYS  49          1HE       LYS  49   3.878  -4.008 -27.765
  334   1HZ   LYS  49          1HZ       LYS  49   5.747  -3.580 -29.963
  335   2HZ   LYS  49          2HZ       LYS  49   5.813  -3.032 -28.356
  336   3HZ   LYS  49          3HZ       LYS  49   4.811  -2.248 -29.483
  337    H    GLY  50           H        GLY  50  -1.324  -6.879 -30.330
  338   1HA   GLY  50          2HA       GLY  50  -1.722  -6.112 -33.052
  339   2HA   GLY  50          1HA       GLY  50  -1.305  -7.820 -32.983
  340    H    ASP  51           H        ASP  51  -2.722  -9.231 -31.722
  341    HA   ASP  51           HA       ASP  51  -5.198  -8.258 -30.613
  342   1HB   ASP  51          2HB       ASP  51  -5.095  -8.836 -33.444
  343   2HB   ASP  51          1HB       ASP  51  -6.229  -9.908 -32.626
  344    H    TRP  52           H        TRP  52  -4.966  -9.643 -28.870
  345    HA   TRP  52           HA       TRP  52  -5.712 -12.354 -29.040
  346   1HB   TRP  52          2HB       TRP  52  -3.196 -13.139 -28.378
  347   2HB   TRP  52          1HB       TRP  52  -3.832 -13.220 -30.020
  348    HD1  TRP  52           HD1      TRP  52  -2.655 -10.076 -28.125
  349    HE1  TRP  52           HE1      TRP  52  -0.782  -8.959 -29.492
  350    HE3  TRP  52           HE3      TRP  52  -2.142 -13.499 -31.874
  351    HZ2  TRP  52           HZ2      TRP  52   0.735  -9.448 -31.867
  352    HZ3  TRP  52           HZ3      TRP  52  -0.479 -13.147 -33.678
  353    HH2  TRP  52           HH2      TRP  52   0.958 -11.125 -33.680
  354    H    ASN  53           H        ASN  53  -6.716 -11.064 -27.199
  355    HA   ASN  53           HA       ASN  53  -6.988 -10.855 -24.880
  356   1HB   ASN  53          2HB       ASN  53  -4.957 -12.950 -25.208
  357   2HB   ASN  53          1HB       ASN  53  -4.836 -12.090 -23.673
  358   1HD2  ASN  53          1HD2      ASN  53  -7.171 -13.871 -25.735
  359   2HD2  ASN  53          2HD2      ASN  53  -8.185 -14.335 -24.455
  360    H    ASP  54           H        ASP  54  -6.610  -8.926 -23.933
  361    HA   ASP  54           HA       ASP  54  -4.011  -7.582 -24.336
  362   1HB   ASP  54          2HB       ASP  54  -6.732  -6.752 -23.480
  363   2HB   ASP  54          1HB       ASP  54  -5.369  -5.769 -22.957
  364    H    ASP  55           H        ASP  55  -3.210  -6.325 -22.288
  365    HA   ASP  55           HA       ASP  55  -2.733  -8.312 -20.208
  366   1HB   ASP  55          2HB       ASP  55  -1.830  -5.524 -20.749
  367   2HB   ASP  55          1HB       ASP  55  -1.601  -6.192 -19.139
  368    H    ARG  56           H        ARG  56  -3.979  -8.551 -18.387
  369    HA   ARG  56           HA       ARG  56  -5.732  -6.269 -17.638
  370   1HB   ARG  56          2HB       ARG  56  -6.389  -9.194 -17.572
  371   2HB   ARG  56          1HB       ARG  56  -7.435  -7.922 -16.958
  372   1HG   ARG  56          2HG       ARG  56  -6.759  -7.073 -19.530
  373   2HG   ARG  56          1HG       ARG  56  -7.026  -8.807 -19.706
  374   1HD   ARG  56          2HD       ARG  56  -9.194  -8.516 -18.446
  375   2HD   ARG  56          1HD       ARG  56  -8.942  -6.772 -18.540
  376    HE   ARG  56           HE       ARG  56  -9.376  -6.872 -20.895
  377   1HH1  ARG  56          1HH1      ARG  56 -11.374  -8.940 -19.807
  378   2HH1  ARG  56          2HH1      ARG  56 -11.154 -10.227 -20.943
  379   1HH2  ARG  56          1HH2      ARG  56  -8.175  -8.973 -22.195
  380   2HH2  ARG  56          2HH2      ARG  56  -9.343 -10.247 -22.293
  381    H    CYS  57           H        CYS  57  -5.017  -5.494 -15.689
  382    HA   CYS  57           HA       CYS  57  -3.304  -6.762 -13.880
  383   1HB   CYS  57          2HB       CYS  57  -5.553  -4.803 -13.338
  384   2HB   CYS  57          1HB       CYS  57  -4.393  -5.304 -12.112
  385    H    THR  58           H        THR  58  -3.737  -7.905 -11.876
  386    HA   THR  58           HA       THR  58  -6.036  -9.734 -12.122
  387    HB   THR  58           HB       THR  58  -4.926 -11.103 -10.537
  388    HG1  THR  58           HG1      THR  58  -3.104 -10.183  -9.366
  389   1HG2  THR  58          1HG2      THR  58  -3.204 -11.606 -11.896
  390   2HG2  THR  58          2HG2      THR  58  -2.375 -10.102 -11.498
  391   3HG2  THR  58          3HG2      THR  58  -3.576 -10.131 -12.788
  392    H    GLY  59           H        GLY  59  -6.442 -10.299  -9.382
  393   1HA   GLY  59          2HA       GLY  59  -7.961  -7.867  -8.604
  394   2HA   GLY  59          1HA       GLY  59  -8.251  -9.494  -7.990
  395    H    GLN  60           H        GLN  60  -4.944  -8.619  -8.153
  396    HA   GLN  60           HA       GLN  60  -4.901  -7.545  -5.399
  397   1HB   GLN  60          2HB       GLN  60  -3.352 -10.048  -6.117
  398   2HB   GLN  60          1HB       GLN  60  -3.458  -9.278  -4.534
  399   1HG   GLN  60          2HG       GLN  60  -5.885  -9.738  -4.473
  400   2HG   GLN  60          1HG       GLN  60  -5.771 -10.524  -6.048
  401   1HE2  GLN  60          1HE2      GLN  60  -4.700 -12.623  -6.159
  402   2HE2  GLN  60          2HE2      GLN  60  -4.352 -13.517  -4.758
  403    H    SER  61           H        SER  61  -3.962  -7.056  -8.389
  404    HA   SER  61           HA       SER  61  -1.188  -6.246  -7.600
  405   1HB   SER  61          2HB       SER  61  -0.734  -7.750  -9.296
  406   2HB   SER  61          1HB       SER  61  -2.270  -7.459 -10.109
  407    HG   SER  61           HG       SER  61  -0.152  -6.545 -10.981
  408    H    ALA  62           H        ALA  62  -0.708  -4.096  -7.829
  409    HA   ALA  62           HA       ALA  62  -2.841  -2.358  -8.969
  410   1HB   ALA  62          1HB       ALA  62  -0.450  -1.294  -7.499
  411   2HB   ALA  62          2HB       ALA  62  -1.746  -2.068  -6.588
  412   3HB   ALA  62          3HB       ALA  62  -2.090  -0.650  -7.575
  413    H    ASP  63           H        ASP  63  -0.118  -3.852 -10.015
  414    HA   ASP  63           HA       ASP  63   0.613  -1.580 -11.814
  415   1HB   ASP  63          2HB       ASP  63   2.457  -3.876 -11.497
  416   2HB   ASP  63          1HB       ASP  63   2.827  -2.173 -11.726
  417    H    CYS  64           H        CYS  64   1.915  -2.916 -13.804
  418    HA   CYS  64           HA       CYS  64   0.100  -5.103 -14.673
  419   1HB   CYS  64          2HB       CYS  64  -0.842  -3.047 -15.606
  420   2HB   CYS  64          1HB       CYS  64   0.714  -2.629 -16.316
  421    HA   PRO  65           HA       PRO  65   4.201  -6.471 -15.684
  422   1HB   PRO  65          2HB       PRO  65   3.464  -9.105 -15.707
  423   2HB   PRO  65          1HB       PRO  65   3.872  -8.228 -14.232
  424   1HG   PRO  65          2HG       PRO  65   1.231  -9.153 -15.210
  425   2HG   PRO  65          1HG       PRO  65   1.731  -8.735 -13.563
  426   1HD   PRO  65          2HD       PRO  65   0.212  -7.115 -15.354
  427   2HD   PRO  65          1HD       PRO  65   0.861  -6.631 -13.775
  428    H    ARG  66           H        ARG  66   5.079  -7.667 -17.563
  429    HA   ARG  66           HA       ARG  66   3.589  -7.150 -19.985
  430   1HB   ARG  66          2HB       ARG  66   6.306  -7.915 -19.250
  431   2HB   ARG  66          1HB       ARG  66   5.734  -8.782 -20.676
  432   1HG   ARG  66          2HG       ARG  66   6.184  -6.937 -21.883
  433   2HG   ARG  66          1HG       ARG  66   4.864  -6.134 -21.031
  434   1HD   ARG  66          2HD       ARG  66   6.704  -5.820 -19.149
  435   2HD   ARG  66          1HD       ARG  66   7.811  -6.008 -20.509
  436    HE   ARG  66           HE       ARG  66   7.104  -3.895 -21.313
  437   1HH1  ARG  66          1HH1      ARG  66   5.985  -4.299 -18.219
  438   2HH1  ARG  66          2HH1      ARG  66   4.641  -3.213 -18.353
  439   1HH2  ARG  66          1HH2      ARG  66   4.932  -2.850 -21.788
  440   2HH2  ARG  66          2HH2      ARG  66   4.046  -2.394 -20.371
  441    H    TYR  67           H        TYR  67   2.392  -8.598 -21.182
  442    HA   TYR  67           HA       TYR  67   2.598 -11.471 -20.540
  443   1HB   TYR  67          2HB       TYR  67   0.566  -9.989 -19.490
  444   2HB   TYR  67          1HB       TYR  67  -0.137 -10.524 -21.013
  445    HD1  TYR  67           HD1      TYR  67  -0.938 -11.395 -18.140
  446    HD2  TYR  67           HD2      TYR  67   1.647 -13.106 -21.114
  447    HE1  TYR  67           HE1      TYR  67  -1.327 -13.650 -17.181
  448    HE2  TYR  67           HE2      TYR  67   1.257 -15.361 -20.155
  449    HH   TYR  67           HH       TYR  67   0.577 -16.298 -17.883
  450    H    HIS  68           HN       HIS  68   3.729 -10.356 -22.768
  451    HA   HIS  68           HA       HIS  68   1.982 -11.444 -24.914
  452   1HB   HIS  68          2HB       HIS  68   2.699  -9.518 -26.384
  453   2HB   HIS  68          1HB       HIS  68   1.613  -9.062 -25.070
  454    HD1  HIS  68           HD1      HIS  68   2.379  -7.029 -23.871
  455    HD2  HIS  68           HD2      HIS  68   5.602  -9.226 -25.339
  456    HE1  HIS  68           HE1      HIS  68   4.470  -5.756 -23.218
  Start of MODEL   17
    1   1H    GLY   1          1HT       GLY   1  11.942  -4.204  -6.061
    2   2H    GLY   1          2HT       GLY   1  13.074  -4.214  -4.794
    3   3H    GLY   1          3HT       GLY   1  13.243  -3.115  -6.078
    4   1HA   GLY   1          2HA       GLY   1  11.783  -1.663  -5.232
    5   2HA   GLY   1          1HA       GLY   1  10.712  -2.956  -4.691
    6    H    LYS   2           H        LYS   2  13.438  -0.946  -3.826
    7    HA   LYS   2           HA       LYS   2  14.052  -2.274  -1.330
    8   1HB   LYS   2          2HB       LYS   2  14.540   0.629  -2.061
    9   2HB   LYS   2          1HB       LYS   2  15.387  -0.312  -0.833
   10   1HG   LYS   2          2HG       LYS   2  15.373  -1.031  -3.777
   11   2HG   LYS   2          1HG       LYS   2  16.646  -0.081  -3.010
   12   1HD   LYS   2          2HD       LYS   2  17.643  -2.006  -2.406
   13   2HD   LYS   2          1HD       LYS   2  16.267  -2.334  -1.353
   14   1HE   LYS   2          2HE       LYS   2  16.630  -4.198  -2.930
   15   2HE   LYS   2          1HE       LYS   2  15.082  -3.410  -3.231
   16   1HZ   LYS   2          1HZ       LYS   2  16.569  -3.889  -5.221
   17   2HZ   LYS   2          2HZ       LYS   2  17.529  -2.599  -4.673
   18   3HZ   LYS   2          3HZ       LYS   2  15.907  -2.332  -5.102
   19    H    GLU   3           H        GLU   3  13.984  -0.158   0.534
   20    HA   GLU   3           HA       GLU   3  11.251  -0.335   1.436
   21   1HB   GLU   3          2HB       GLU   3  13.762   0.571   2.481
   22   2HB   GLU   3          1HB       GLU   3  12.534   1.801   2.776
   23   1HG   GLU   3          2HG       GLU   3  11.145  -0.458   3.402
   24   2HG   GLU   3          1HG       GLU   3  12.774  -0.931   3.888
   25    H    CYS   4           H        CYS   4  10.020   0.569  -0.306
   26    HA   CYS   4           HA       CYS   4   9.423   3.370  -0.073
   27   1HB   CYS   4          2HB       CYS   4  11.373   2.522  -2.156
   28   2HB   CYS   4          1HB       CYS   4  10.111   3.628  -2.668
   29    H    ASP   5           H        ASP   5   7.561   1.567   0.108
   30    HA   ASP   5           HA       ASP   5   6.485   0.161  -2.007
   31   1HB   ASP   5          2HB       ASP   5   5.506   0.657   0.393
   32   2HB   ASP   5          1HB       ASP   5   4.601   1.911  -0.457
   33    H    CYS   6           H        CYS   6   6.523   3.660  -1.630
   34    HA   CYS   6           HA       CYS   6   5.379   3.864  -4.387
   35   1HB   CYS   6          2HB       CYS   6   4.182   5.848  -3.771
   36   2HB   CYS   6          1HB       CYS   6   3.833   4.658  -2.521
   37    H    SER   7           H        SER   7   6.033   6.070  -5.399
   38    HA   SER   7           HA       SER   7   8.883   6.597  -4.666
   39   1HB   SER   7          2HB       SER   7   8.399   7.612  -7.241
   40   2HB   SER   7          1HB       SER   7   9.301   6.156  -6.830
   41    HG   SER   7           HG       SER   7   6.488   6.328  -7.204
   42    H    SER   8           H        SER   8   5.753   7.981  -4.857
   43    HA   SER   8           HA       SER   8   6.865  10.735  -4.954
   44   1HB   SER   8          2HB       SER   8   4.456   9.546  -5.888
   45   2HB   SER   8          1HB       SER   8   4.028  10.726  -4.655
   46    HG   SER   8           HG       SER   8   4.218  11.930  -6.443
   47    HA   PRO   9           HA       PRO   9   6.445  10.790  -0.521
   48   1HB   PRO   9          2HB       PRO   9   7.327  13.372  -0.201
   49   2HB   PRO   9          1HB       PRO   9   8.410  11.997  -0.478
   50   1HG   PRO   9          2HG       PRO   9   7.602  14.160  -2.364
   51   2HG   PRO   9          1HG       PRO   9   9.072  13.170  -2.354
   52   1HD   PRO   9          2HD       PRO   9   6.827  12.805  -4.049
   53   2HD   PRO   9          1HD       PRO   9   8.162  11.656  -3.813
   54    H    GLU  10           H        GLU  10   4.658  12.545  -2.800
   55    HA   GLU  10           HA       GLU  10   3.089  13.996  -0.733
   56   1HB   GLU  10          2HB       GLU  10   2.733  14.106  -3.739
   57   2HB   GLU  10          1HB       GLU  10   2.135  15.254  -2.542
   58   1HG   GLU  10          2HG       GLU  10   4.315  16.072  -2.072
   59   2HG   GLU  10          1HG       GLU  10   5.086  14.701  -2.870
   60    H    ASN  11           H        ASN  11   3.032  11.112  -2.561
   61    HA   ASN  11           HA       ASN  11   0.258  10.755  -3.024
   62   1HB   ASN  11          2HB       ASN  11   2.374   9.269  -3.628
   63   2HB   ASN  11          1HB       ASN  11   1.930   8.435  -2.139
   64   1HD2  ASN  11          1HD2      ASN  11   1.526   8.055  -5.334
   65   2HD2  ASN  11          2HD2      ASN  11  -0.046   7.423  -5.390
   66    HA   PRO  12           HA       PRO  12  -1.046  10.490   1.229
   67   1HB   PRO  12          2HB       PRO  12  -3.705  10.073   0.665
   68   2HB   PRO  12          1HB       PRO  12  -2.927  11.664   0.600
   69   1HG   PRO  12          2HG       PRO  12  -3.780   9.901  -1.646
   70   2HG   PRO  12          1HG       PRO  12  -3.586  11.662  -1.611
   71   1HD   PRO  12          2HD       PRO  12  -1.758   9.808  -2.730
   72   2HD   PRO  12          1HD       PRO  12  -1.444  11.527  -2.410
   73    H    CYS  13           H        CYS  13  -1.179   7.999  -1.142
   74    HA   CYS  13           HA       CYS  13  -2.456   6.012   0.503
   75   1HB   CYS  13          2HB       CYS  13  -2.760   5.701  -1.808
   76   2HB   CYS  13          1HB       CYS  13  -1.088   6.065  -2.156
   77    H    CYS  14           H        CYS  14   0.765   7.255   0.060
   78    HA   CYS  14           HA       CYS  14   1.747   4.980   1.724
   79   1HB   CYS  14          2HB       CYS  14   3.795   4.926   0.468
   80   2HB   CYS  14          1HB       CYS  14   2.479   4.921  -0.702
   81    H    ASP  15           H        ASP  15   2.918   5.453   3.454
   82    HA   ASP  15           HA       ASP  15   3.025   8.061   4.556
   83   1HB   ASP  15          2HB       ASP  15   3.527   5.594   5.524
   84   2HB   ASP  15          1HB       ASP  15   5.170   6.170   5.287
   85    H    ALA  16           H        ALA  16   4.348   9.757   4.080
   86    HA   ALA  16           HA       ALA  16   6.546   9.323   2.179
   87   1HB   ALA  16          1HB       ALA  16   4.700  11.240   2.193
   88   2HB   ALA  16          2HB       ALA  16   6.337  11.554   1.613
   89   3HB   ALA  16          3HB       ALA  16   5.872  12.027   3.248
   90    H    ALA  17           H        ALA  17   6.769   8.492   5.042
   91    HA   ALA  17           HA       ALA  17   9.101  10.225   5.764
   92   1HB   ALA  17          1HB       ALA  17   8.281  10.461   7.852
   93   2HB   ALA  17          2HB       ALA  17   8.047   8.720   8.008
   94   3HB   ALA  17          3HB       ALA  17   6.785   9.718   7.284
   95    H    THR  18           H        THR  18   7.768   6.986   5.534
   96    HA   THR  18           HA       THR  18  10.510   5.899   5.990
   97    HB   THR  18           HB       THR  18   7.845   5.042   6.914
   98    HG1  THR  18           HG1      THR  18   9.378   4.055   8.484
   99   1HG2  THR  18          1HG2      THR  18   8.581   2.637   7.029
  100   2HG2  THR  18          2HG2      THR  18   9.897   3.048   5.930
  101   3HG2  THR  18          3HG2      THR  18   8.224   3.200   5.395
  102    H    CYS  19           H        CYS  19   8.365   6.640   3.613
  103    HA   CYS  19           HA       CYS  19   8.175   5.962   1.374
  104   1HB   CYS  19          2HB       CYS  19  10.836   5.519   2.045
  105   2HB   CYS  19          1HB       CYS  19  10.301   3.999   1.368
  106    H    LYS  20           H        LYS  20   6.223   4.807   2.306
  107    HA   LYS  20           HA       LYS  20   6.150   2.128   1.274
  108   1HB   LYS  20          2HB       LYS  20   6.778   2.476   4.135
  109   2HB   LYS  20          1HB       LYS  20   5.457   1.354   3.795
  110   1HG   LYS  20          2HG       LYS  20   7.546   0.873   1.903
  111   2HG   LYS  20          1HG       LYS  20   8.257   0.898   3.518
  112   1HD   LYS  20          2HD       LYS  20   5.881  -0.526   3.850
  113   2HD   LYS  20          1HD       LYS  20   6.510  -1.096   2.303
  114   1HE   LYS  20          2HE       LYS  20   8.794  -1.069   3.777
  115   2HE   LYS  20          1HE       LYS  20   7.612  -1.437   5.033
  116   1HZ   LYS  20          1HZ       LYS  20   7.990  -2.908   2.481
  117   2HZ   LYS  20          2HZ       LYS  20   6.764  -3.231   3.611
  118   3HZ   LYS  20          3HZ       LYS  20   8.393  -3.463   4.032
  119    H    LEU  21           H        LEU  21   3.940   1.066   2.048
  120    HA   LEU  21           HA       LEU  21   1.956   3.254   1.869
  121   1HB   LEU  21          2HB       LEU  21   2.049   0.464   1.025
  122   2HB   LEU  21          1HB       LEU  21   0.524   0.930   1.782
  123    HG   LEU  21           HG       LEU  21   0.318   2.837   0.244
  124   1HD1  LEU  21          1HD1      LEU  21   2.717   1.778  -1.241
  125   2HD1  LEU  21          2HD1      LEU  21   2.885   3.024  -0.005
  126   3HD1  LEU  21          3HD1      LEU  21   1.906   3.329  -1.441
  127   1HD2  LEU  21          1HD2      LEU  21  -0.722   1.450  -1.140
  128   2HD2  LEU  21          2HD2      LEU  21   0.200   0.107  -0.467
  129   3HD2  LEU  21          3HD2      LEU  21   0.826   1.003  -1.850
  130    H    ARG  22           H        ARG  22   0.011   3.155   3.133
  131    HA   ARG  22           HA       ARG  22   0.546   2.494   5.916
  132   1HB   ARG  22          2HB       ARG  22  -1.443   4.004   4.421
  133   2HB   ARG  22          1HB       ARG  22  -2.210   2.965   5.621
  134   1HG   ARG  22          2HG       ARG  22  -0.040   4.013   6.995
  135   2HG   ARG  22          1HG       ARG  22  -0.588   5.372   6.013
  136   1HD   ARG  22          2HD       ARG  22  -2.957   4.276   6.952
  137   2HD   ARG  22          1HD       ARG  22  -1.866   4.120   8.328
  138    HE   ARG  22           HE       ARG  22  -1.633   6.530   8.365
  139   1HH1  ARG  22          1HH1      ARG  22  -2.867   5.771   5.329
  140   2HH1  ARG  22          2HH1      ARG  22  -4.006   7.075   5.275
  141   1HH2  ARG  22          1HH2      ARG  22  -3.480   8.021   8.569
  142   2HH2  ARG  22          2HH2      ARG  22  -4.354   8.347   7.109
  143    HA   PRO  23           HA       PRO  23  -0.682  -1.742   5.370
  144   1HB   PRO  23          2HB       PRO  23  -0.946  -2.295   8.073
  145   2HB   PRO  23          1HB       PRO  23   0.596  -2.281   7.198
  146   1HG   PRO  23          2HG       PRO  23  -0.584  -0.153   8.974
  147   2HG   PRO  23          1HG       PRO  23   1.112  -0.645   8.787
  148   1HD   PRO  23          2HD       PRO  23   0.100   1.610   7.564
  149   2HD   PRO  23          1HD       PRO  23   1.421   0.654   6.876
  150    H    GLY  24           H        GLY  24  -2.682  -1.077   4.409
  151   1HA   GLY  24          2HA       GLY  24  -5.034  -2.060   5.652
  152   2HA   GLY  24          1HA       GLY  24  -5.053  -0.294   5.767
  153    H    ALA  25           H        ALA  25  -3.594   0.227   3.437
  154    HA   ALA  25           HA       ALA  25  -5.618  -0.096   1.350
  155   1HB   ALA  25          1HB       ALA  25  -4.533   2.045   1.606
  156   2HB   ALA  25          2HB       ALA  25  -4.019   1.332   0.077
  157   3HB   ALA  25          3HB       ALA  25  -2.947   1.286   1.476
  158    H    GLN  26           H        GLN  26  -3.686  -0.201  -0.863
  159    HA   GLN  26           HA       GLN  26  -2.274  -2.733  -0.374
  160   1HB   GLN  26          2HB       GLN  26  -4.766  -2.532  -1.853
  161   2HB   GLN  26          1HB       GLN  26  -3.486  -3.316  -2.778
  162   1HG   GLN  26          2HG       GLN  26  -3.699  -5.185  -1.540
  163   2HG   GLN  26          1HG       GLN  26  -3.407  -4.262  -0.066
  164   1HE2  GLN  26          1HE2      GLN  26  -5.079  -5.393   1.147
  165   2HE2  GLN  26          2HE2      GLN  26  -6.727  -5.159   0.816
  166    H    CYS  27           H        CYS  27  -2.218   0.262  -1.900
  167    HA   CYS  27           HA       CYS  27   0.324  -0.235  -3.059
  168   1HB   CYS  27          2HB       CYS  27  -0.357  -0.058  -5.496
  169   2HB   CYS  27          1HB       CYS  27  -0.679  -1.605  -4.713
  170    H    GLY  28           H        GLY  28   1.301   1.681  -3.661
  171   1HA   GLY  28          2HA       GLY  28  -0.415   4.110  -3.534
  172   2HA   GLY  28          1HA       GLY  28   1.299   4.083  -3.159
  173    H    GLU  29           H        GLU  29   0.874   2.160  -5.818
  174    HA   GLU  29           HA       GLU  29   0.454   4.033  -7.920
  175   1HB   GLU  29          2HB       GLU  29   2.792   4.454  -8.616
  176   2HB   GLU  29          1HB       GLU  29   2.450   5.133  -7.022
  177   1HG   GLU  29          2HG       GLU  29   4.298   4.011  -6.346
  178   2HG   GLU  29          1HG       GLU  29   3.271   2.578  -6.401
  179    H    GLY  30           H        GLY  30   0.123   2.856  -9.731
  180   1HA   GLY  30          2HA       GLY  30   1.766   0.753 -10.691
  181   2HA   GLY  30          1HA       GLY  30   0.424   0.027  -9.809
  182    H    LEU  31           H        LEU  31   0.715  -0.350 -12.593
  183    HA   LEU  31           HA       LEU  31  -0.724   1.495 -14.212
  184   1HB   LEU  31          2HB       LEU  31   0.348  -1.125 -14.514
  185   2HB   LEU  31          1HB       LEU  31  -1.307  -1.137 -15.104
  186    HG   LEU  31           HG       LEU  31   0.433  -0.501 -16.833
  187   1HD1  LEU  31          1HD1      LEU  31  -0.909   1.377 -17.713
  188   2HD1  LEU  31          2HD1      LEU  31  -1.676   1.566 -16.137
  189   3HD1  LEU  31          3HD1      LEU  31  -1.946   0.100 -17.079
  190   1HD2  LEU  31          1HD2      LEU  31   1.292   1.191 -14.755
  191   2HD2  LEU  31          2HD2      LEU  31   0.585   2.264 -15.962
  192   3HD2  LEU  31          3HD2      LEU  31   1.891   1.169 -16.413
  193    H    CYS  32           H        CYS  32  -1.810  -1.012 -12.008
  194    HA   CYS  32           HA       CYS  32  -4.614  -0.118 -12.523
  195   1HB   CYS  32          2HB       CYS  32  -4.089  -2.920 -11.618
  196   2HB   CYS  32          1HB       CYS  32  -5.421  -2.288 -12.581
  197    H    CYS  33           H        CYS  33  -4.226   1.326 -10.666
  198    HA   CYS  33           HA       CYS  33  -4.978   0.005  -8.172
  199   1HB   CYS  33          2HB       CYS  33  -2.202   0.779  -8.690
  200   2HB   CYS  33          1HB       CYS  33  -2.860   1.501  -7.220
  201    H    GLU  34           H        GLU  34  -6.268   1.352  -7.042
  202    HA   GLU  34           HA       GLU  34  -6.466   4.166  -7.939
  203   1HB   GLU  34          2HB       GLU  34  -8.355   3.135  -5.924
  204   2HB   GLU  34          1HB       GLU  34  -8.674   4.083  -7.373
  205   1HG   GLU  34          2HG       GLU  34  -8.149   1.985  -8.712
  206   2HG   GLU  34          1HG       GLU  34  -8.193   1.103  -7.185
  207    H    GLN  35           H        GLN  35  -7.580   5.237  -5.554
  208    HA   GLN  35           HA       GLN  35  -5.259   6.095  -4.204
  209   1HB   GLN  35          2HB       GLN  35  -8.066   6.555  -4.023
  210   2HB   GLN  35          1HB       GLN  35  -7.474   6.210  -2.397
  211   1HG   GLN  35          2HG       GLN  35  -5.522   7.850  -3.100
  212   2HG   GLN  35          1HG       GLN  35  -6.719   8.438  -4.255
  213   1HE2  GLN  35          1HE2      GLN  35  -8.522   9.641  -3.437
  214   2HE2  GLN  35          2HE2      GLN  35  -8.677  10.067  -1.801
  215    H    CYS  36           H        CYS  36  -3.972   4.378  -3.545
  216    HA   CYS  36           HA       CYS  36  -3.273   2.577  -2.214
  217   1HB   CYS  36          2HB       CYS  36  -4.401   4.608  -0.577
  218   2HB   CYS  36          1HB       CYS  36  -4.885   3.074   0.091
  219    H    LYS  37           H        LYS  37  -5.014   1.585  -3.937
  220    HA   LYS  37           HA       LYS  37  -6.341  -0.509  -2.376
  221   1HB   LYS  37          2HB       LYS  37  -7.992   1.453  -2.528
  222   2HB   LYS  37          1HB       LYS  37  -8.065   1.118  -4.258
  223   1HG   LYS  37          2HG       LYS  37  -9.049  -0.984  -3.943
  224   2HG   LYS  37          1HG       LYS  37  -8.478  -1.110  -2.278
  225   1HD   LYS  37          2HD       LYS  37 -10.512   0.941  -3.191
  226   2HD   LYS  37          1HD       LYS  37 -10.951  -0.621  -2.499
  227   1HE   LYS  37          2HE       LYS  37  -8.978   0.578  -0.809
  228   2HE   LYS  37          1HE       LYS  37 -10.238   1.773  -1.118
  229   1HZ   LYS  37          1HZ       LYS  37 -11.814  -0.193  -0.636
  230   2HZ   LYS  37          2HZ       LYS  37 -11.076   0.613   0.666
  231   3HZ   LYS  37          3HZ       LYS  37 -10.467  -0.881   0.133
  232    H    PHE  38           H        PHE  38  -6.132  -2.383  -3.525
  233    HA   PHE  38           HA       PHE  38  -4.832  -2.469  -6.055
  234   1HB   PHE  38          2HB       PHE  38  -6.259  -4.420  -4.323
  235   2HB   PHE  38          1HB       PHE  38  -6.088  -4.859  -6.021
  236    HD1  PHE  38           HD1      PHE  38  -3.519  -3.669  -6.762
  237    HD2  PHE  38           HD2      PHE  38  -4.667  -5.694  -3.153
  238    HE1  PHE  38           HE1      PHE  38  -1.155  -4.307  -6.368
  239    HE2  PHE  38           HE2      PHE  38  -2.303  -6.332  -2.757
  240    HZ   PHE  38           HZ       PHE  38  -0.547  -5.637  -4.365
  241    H    SER  39           H        SER  39  -5.653  -1.978  -8.037
  242    HA   SER  39           HA       SER  39  -8.310  -1.190  -8.538
  243   1HB   SER  39          2HB       SER  39  -7.797  -1.529 -10.922
  244   2HB   SER  39          1HB       SER  39  -6.411  -0.807 -10.108
  245    HG   SER  39           HG       SER  39  -5.649  -3.032  -9.863
  246    H    ARG  40           H        ARG  40  -9.623  -2.635 -10.358
  247    HA   ARG  40           HA       ARG  40 -10.070  -5.203  -8.972
  248   1HB   ARG  40          2HB       ARG  40 -11.814  -3.242 -10.047
  249   2HB   ARG  40          1HB       ARG  40 -12.018  -4.710 -11.001
  250   1HG   ARG  40          2HG       ARG  40 -13.534  -4.939  -9.179
  251   2HG   ARG  40          1HG       ARG  40 -12.155  -5.961  -8.769
  252   1HD   ARG  40          2HD       ARG  40 -12.148  -4.822  -6.806
  253   2HD   ARG  40          1HD       ARG  40 -11.379  -3.537  -7.737
  254    HE   ARG  40           HE       ARG  40 -14.350  -3.604  -7.548
  255   1HH1  ARG  40          1HH2      ARG  40 -11.886  -2.531  -5.622
  256   2HH1  ARG  40          2HH2      ARG  40 -12.275  -0.847  -5.717
  257   1HH2  ARG  40          1HH1      ARG  40 -14.610  -1.255  -8.249
  258   2HH2  ARG  40          2HH1      ARG  40 -13.818  -0.124  -7.202
  259    H    ALA  41           H        ALA  41  -9.938  -7.173 -10.083
  260    HA   ALA  41           HA       ALA  41  -8.135  -7.457 -12.208
  261   1HB   ALA  41          1HB       ALA  41  -9.188  -9.690 -12.584
  262   2HB   ALA  41          2HB       ALA  41 -10.515  -9.215 -11.527
  263   3HB   ALA  41          3HB       ALA  41  -8.885  -9.375 -10.876
  264    H    GLY  42           H        GLY  42  -8.939  -8.501 -14.460
  265   1HA   GLY  42          2HA       GLY  42 -10.000  -8.035 -16.506
  266   2HA   GLY  42          1HA       GLY  42 -11.396  -7.537 -15.554
  267    H    LYS  43           H        LYS  43  -8.218  -6.118 -15.095
  268    HA   LYS  43           HA       LYS  43  -9.356  -3.540 -16.039
  269   1HB   LYS  43          2HB       LYS  43  -8.620  -3.378 -13.776
  270   2HB   LYS  43          1HB       LYS  43  -7.116  -4.215 -14.136
  271   1HG   LYS  43          2HG       LYS  43  -6.308  -2.061 -14.178
  272   2HG   LYS  43          1HG       LYS  43  -6.857  -2.145 -15.839
  273   1HD   LYS  43          2HD       LYS  43  -8.575  -0.702 -15.486
  274   2HD   LYS  43          1HD       LYS  43  -8.957  -1.404 -13.913
  275   1HE   LYS  43          2HE       LYS  43  -6.975  -0.244 -12.948
  276   2HE   LYS  43          1HE       LYS  43  -6.684   0.513 -14.515
  277   1HZ   LYS  43          1HZ       LYS  43  -9.229   0.763 -13.010
  278   2HZ   LYS  43          2HZ       LYS  43  -8.763   1.626 -14.399
  279   3HZ   LYS  43          3HZ       LYS  43  -7.969   1.896 -12.920
  280    H    ILE  44           H        ILE  44  -8.556  -2.639 -17.896
  281    HA   ILE  44           HA       ILE  44  -6.477  -4.069 -19.344
  282    HB   ILE  44           HB       ILE  44  -8.367  -1.877 -19.911
  283   1HG1  ILE  44          2HG1      ILE  44  -8.775  -4.194 -20.594
  284   2HG1  ILE  44          1HG1      ILE  44  -8.565  -3.174 -22.019
  285   1HG2  ILE  44          1HG2      ILE  44  -5.688  -2.125 -21.295
  286   2HG2  ILE  44          2HG2      ILE  44  -6.380  -0.683 -20.553
  287   3HG2  ILE  44          3HG2      ILE  44  -7.080  -1.334 -22.035
  288   1HD1  ILE  44          1HD1      ILE  44  -6.978  -4.650 -22.670
  289   2HD1  ILE  44          2HD1      ILE  44  -6.918  -5.401 -21.075
  290   3HD1  ILE  44          3HD1      ILE  44  -5.972  -3.949 -21.402
  291    H    CYS  45           H        CYS  45  -4.409  -3.818 -18.865
  292    HA   CYS  45           HA       CYS  45  -3.467  -1.169 -17.874
  293   1HB   CYS  45          2HB       CYS  45  -1.342  -2.669 -17.369
  294   2HB   CYS  45          1HB       CYS  45  -2.702  -2.636 -16.260
  295    H    ARG  46           H        ARG  46  -3.573  -3.097 -20.618
  296    HA   ARG  46           HA       ARG  46  -1.726  -1.336 -22.006
  297   1HB   ARG  46          2HB       ARG  46  -0.486  -3.434 -20.778
  298   2HB   ARG  46          1HB       ARG  46  -0.862  -4.144 -22.348
  299   1HG   ARG  46          2HG       ARG  46   0.752  -2.938 -23.355
  300   2HG   ARG  46          1HG       ARG  46   0.140  -1.439 -22.658
  301   1HD   ARG  46          2HD       ARG  46   1.730  -1.426 -21.053
  302   2HD   ARG  46          1HD       ARG  46   1.453  -3.123 -20.665
  303    HE   ARG  46           HE       ARG  46   3.692  -2.252 -22.061
  304   1HH1  ARG  46          1HH1      ARG  46   1.299  -4.688 -22.141
  305   2HH1  ARG  46          2HH1      ARG  46   2.014  -5.553 -23.462
  306   1HH2  ARG  46          1HH2      ARG  46   4.500  -3.197 -24.004
  307   2HH2  ARG  46          2HH2      ARG  46   3.827  -4.709 -24.517
  308    H    ILE  47           H        ILE  47  -1.572  -1.925 -24.336
  309    HA   ILE  47           HA       ILE  47  -4.067  -3.319 -25.211
  310    HB   ILE  47           HB       ILE  47  -4.049  -0.887 -25.659
  311   1HG1  ILE  47          2HG1      ILE  47  -3.568  -2.226 -28.308
  312   2HG1  ILE  47          1HG1      ILE  47  -4.943  -2.710 -27.311
  313   1HG2  ILE  47          1HG2      ILE  47  -1.341  -1.562 -26.592
  314   2HG2  ILE  47          2HG2      ILE  47  -1.981  -0.025 -26.011
  315   3HG2  ILE  47          3HG2      ILE  47  -2.233  -0.508 -27.688
  316   1HD1  ILE  47          1HD1      ILE  47  -4.742   0.170 -27.395
  317   2HD1  ILE  47          2HD1      ILE  47  -6.085  -0.861 -27.890
  318   3HD1  ILE  47          3HD1      ILE  47  -4.797  -0.481 -29.033
  319    H    ALA  48           H        ALA  48  -3.804  -4.209 -27.531
  320    HA   ALA  48           HA       ALA  48  -1.051  -5.243 -27.890
  321   1HB   ALA  48          1HB       ALA  48  -2.306  -7.068 -27.022
  322   2HB   ALA  48          2HB       ALA  48  -2.177  -7.355 -28.755
  323   3HB   ALA  48          3HB       ALA  48  -3.675  -6.714 -28.073
  324    H    LYS  49           H        LYS  49  -1.416  -6.558 -30.312
  325    HA   LYS  49           HA       LYS  49  -1.451  -4.361 -32.186
  326   1HB   LYS  49          2HB       LYS  49  -0.958  -7.259 -32.289
  327   2HB   LYS  49          1HB       LYS  49  -1.420  -6.489 -33.800
  328   1HG   LYS  49          2HG       LYS  49   0.400  -4.704 -33.017
  329   2HG   LYS  49          1HG       LYS  49   1.032  -6.094 -32.133
  330   1HD   LYS  49          2HD       LYS  49   0.334  -6.935 -34.784
  331   2HD   LYS  49          1HD       LYS  49   1.349  -5.498 -34.897
  332   1HE   LYS  49          2HE       LYS  49   2.859  -6.673 -33.151
  333   2HE   LYS  49          1HE       LYS  49   1.977  -8.139 -33.583
  334   1HZ   LYS  49          1HZ       LYS  49   2.887  -6.578 -35.834
  335   2HZ   LYS  49          2HZ       LYS  49   2.976  -8.253 -35.565
  336   3HZ   LYS  49          3HZ       LYS  49   4.139  -7.217 -34.884
  337    H    GLY  50           H        GLY  50  -3.177  -7.343 -32.857
  338   1HA   GLY  50          2HA       GLY  50  -5.618  -5.731 -33.221
  339   2HA   GLY  50          1HA       GLY  50  -5.136  -6.899 -34.437
  340    H    ASP  51           H        ASP  51  -4.712  -9.216 -33.231
  341    HA   ASP  51           HA       ASP  51  -7.049  -9.683 -31.468
  342   1HB   ASP  51          2HB       ASP  51  -6.486 -10.762 -34.054
  343   2HB   ASP  51          1HB       ASP  51  -6.453 -12.066 -32.868
  344    H    TRP  52           H        TRP  52  -6.589 -10.710 -29.585
  345    HA   TRP  52           HA       TRP  52  -4.824 -12.823 -29.073
  346   1HB   TRP  52          2HB       TRP  52  -3.022 -11.122 -27.887
  347   2HB   TRP  52          1HB       TRP  52  -2.782 -11.847 -29.471
  348    HD1  TRP  52           HD1      TRP  52  -1.680  -9.958 -30.771
  349    HE1  TRP  52           HE1      TRP  52  -2.379  -7.588 -31.424
  350    HE3  TRP  52           HE3      TRP  52  -5.839  -9.360 -27.860
  351    HZ2  TRP  52           HZ2      TRP  52  -4.415  -5.677 -30.801
  352    HZ3  TRP  52           HZ3      TRP  52  -7.128  -7.271 -27.944
  353    HH2  TRP  52           HH2      TRP  52  -6.398  -5.423 -29.417
  354    H    ASN  53           H        ASN  53  -3.713 -12.045 -26.577
  355    HA   ASN  53           HA       ASN  53  -6.202 -11.578 -25.023
  356   1HB   ASN  53          2HB       ASN  53  -3.765 -13.138 -24.641
  357   2HB   ASN  53          1HB       ASN  53  -4.099 -12.103 -23.253
  358   1HD2  ASN  53          1HD2      ASN  53  -6.640 -12.146 -22.678
  359   2HD2  ASN  53          2HD2      ASN  53  -7.329 -13.697 -22.640
  360    H    ASP  54           H        ASP  54  -6.491  -9.377 -24.717
  361    HA   ASP  54           HA       ASP  54  -4.434  -7.413 -24.783
  362   1HB   ASP  54          2HB       ASP  54  -7.251  -7.487 -24.224
  363   2HB   ASP  54          1HB       ASP  54  -6.444  -6.478 -23.028
  364    H    ASP  55           H        ASP  55  -4.020  -5.961 -22.752
  365    HA   ASP  55           HA       ASP  55  -2.841  -7.719 -20.721
  366   1HB   ASP  55          2HB       ASP  55  -2.491  -4.977 -21.653
  367   2HB   ASP  55          1HB       ASP  55  -2.401  -5.120 -19.901
  368    H    ARG  56           H        ARG  56  -3.972  -8.290 -18.924
  369    HA   ARG  56           HA       ARG  56  -6.108  -6.437 -17.957
  370   1HB   ARG  56          2HB       ARG  56  -6.551  -8.926 -18.916
  371   2HB   ARG  56          1HB       ARG  56  -6.225  -9.310 -17.227
  372   1HG   ARG  56          2HG       ARG  56  -8.200  -8.465 -16.565
  373   2HG   ARG  56          1HG       ARG  56  -7.956  -6.985 -17.494
  374   1HD   ARG  56          2HD       ARG  56  -9.900  -8.098 -18.398
  375   2HD   ARG  56          1HD       ARG  56  -8.590  -8.273 -19.566
  376    HE   ARG  56           HE       ARG  56  -8.578 -10.524 -17.799
  377   1HH1  ARG  56          1HH1      ARG  56  -9.189  -9.610 -20.929
  378   2HH1  ARG  56          2HH1      ARG  56 -10.353 -10.846 -21.270
  379   1HH2  ARG  56          1HH2      ARG  56 -10.601 -11.890 -17.971
  380   2HH2  ARG  56          2HH2      ARG  56 -11.154 -12.136 -19.595
  381    H    CYS  57           H        CYS  57  -6.329  -6.258 -15.682
  382    HA   CYS  57           HA       CYS  57  -3.879  -7.045 -14.182
  383   1HB   CYS  57          2HB       CYS  57  -5.966  -5.176 -13.095
  384   2HB   CYS  57          1HB       CYS  57  -4.238  -5.212 -12.775
  385    H    THR  58           H        THR  58  -4.277  -7.875 -11.974
  386    HA   THR  58           HA       THR  58  -6.730  -9.552 -11.924
  387    HB   THR  58           HB       THR  58  -5.558 -10.956 -10.369
  388    HG1  THR  58           HG1      THR  58  -3.779  -8.763 -10.214
  389   1HG2  THR  58          1HG2      THR  58  -4.562 -11.678 -12.277
  390   2HG2  THR  58          2HG2      THR  58  -3.135 -10.850 -11.653
  391   3HG2  THR  58          3HG2      THR  58  -4.190 -10.038 -12.811
  392    H    GLY  59           H        GLY  59  -7.501  -9.908  -9.511
  393   1HA   GLY  59          2HA       GLY  59  -8.090  -7.210  -8.470
  394   2HA   GLY  59          1HA       GLY  59  -8.874  -8.707  -7.967
  395    H    GLN  60           H        GLN  60  -5.433  -8.787  -8.159
  396    HA   GLN  60           HA       GLN  60  -5.151  -8.172  -5.266
  397   1HB   GLN  60          2HB       GLN  60  -4.396 -10.791  -6.589
  398   2HB   GLN  60          1HB       GLN  60  -3.799 -10.296  -5.005
  399   1HG   GLN  60          2HG       GLN  60  -6.647  -9.921  -5.081
  400   2HG   GLN  60          1HG       GLN  60  -6.271 -11.561  -5.608
  401   1HE2  GLN  60          1HE2      GLN  60  -6.014 -13.030  -3.927
  402   2HE2  GLN  60          2HE2      GLN  60  -5.567 -12.631  -2.339
  403    H    SER  61           H        SER  61  -4.130  -7.401  -8.214
  404    HA   SER  61           HA       SER  61  -1.326  -6.988  -7.274
  405   1HB   SER  61          2HB       SER  61  -1.789  -7.336 -10.174
  406   2HB   SER  61          1HB       SER  61  -0.387  -7.767  -9.209
  407    HG   SER  61           HG       SER  61  -1.648  -9.583  -9.932
  408    H    ALA  62           H        ALA  62  -0.233  -5.194  -8.557
  409    HA   ALA  62           HA       ALA  62  -2.242  -3.073  -9.220
  410   1HB   ALA  62          1HB       ALA  62  -0.589  -1.440  -8.399
  411   2HB   ALA  62          2HB       ALA  62   0.533  -2.750  -8.030
  412   3HB   ALA  62          3HB       ALA  62  -0.982  -2.609  -7.138
  413    H    ASP  63           H        ASP  63   1.285  -3.526  -9.727
  414    HA   ASP  63           HA       ASP  63   1.329  -2.169 -12.217
  415   1HB   ASP  63          2HB       ASP  63   3.135  -4.213 -10.986
  416   2HB   ASP  63          1HB       ASP  63   3.452  -3.583 -12.596
  417    H    CYS  64           H        CYS  64   1.872  -3.276 -14.355
  418    HA   CYS  64           HA       CYS  64   0.141  -5.697 -14.657
  419   1HB   CYS  64          2HB       CYS  64  -0.663  -3.588 -15.780
  420   2HB   CYS  64          1HB       CYS  64   0.786  -3.635 -16.779
  421    HA   PRO  65           HA       PRO  65   3.841  -7.665 -15.901
  422   1HB   PRO  65          2HB       PRO  65   2.635 -10.031 -16.571
  423   2HB   PRO  65          1HB       PRO  65   2.992  -9.562 -14.909
  424   1HG   PRO  65          2HG       PRO  65   0.384  -9.675 -16.328
  425   2HG   PRO  65          1HG       PRO  65   0.719  -9.745 -14.589
  426   1HD   PRO  65          2HD       PRO  65  -0.219  -7.490 -16.036
  427   2HD   PRO  65          1HD       PRO  65   0.353  -7.503 -14.356
  428    H    ARG  66           H        ARG  66   4.742  -8.620 -17.917
  429    HA   ARG  66           HA       ARG  66   3.895  -7.258 -20.270
  430   1HB   ARG  66          2HB       ARG  66   5.468  -8.813 -21.456
  431   2HB   ARG  66          1HB       ARG  66   6.191  -8.007 -20.065
  432   1HG   ARG  66          2HG       ARG  66   5.720 -10.014 -18.679
  433   2HG   ARG  66          1HG       ARG  66   5.063 -10.821 -20.103
  434   1HD   ARG  66          2HD       ARG  66   7.389 -10.160 -21.169
  435   2HD   ARG  66          1HD       ARG  66   7.904 -10.091 -19.484
  436    HE   ARG  66           HE       ARG  66   6.521 -12.536 -19.844
  437   1HH1  ARG  66          1HH2      ARG  66   9.580 -11.276 -19.572
  438   2HH1  ARG  66          2HH2      ARG  66  10.391 -12.550 -20.420
  439   1HH2  ARG  66          1HH1      ARG  66   7.462 -14.033 -21.535
  440   2HH2  ARG  66          2HH1      ARG  66   9.191 -14.110 -21.532
  441    H    TYR  67           H        TYR  67   3.423  -8.621 -22.368
  442    HA   TYR  67           HA       TYR  67   1.921 -11.060 -22.062
  443   1HB   TYR  67          2HB       TYR  67   0.511  -8.735 -21.426
  444   2HB   TYR  67          1HB       TYR  67   0.022  -9.122 -23.073
  445    HD1  TYR  67           HD1      TYR  67  -0.480  -9.865 -19.628
  446    HD2  TYR  67           HD2      TYR  67  -0.594 -11.622 -23.548
  447    HE1  TYR  67           HE1      TYR  67  -1.935 -11.683 -18.772
  448    HE2  TYR  67           HE2      TYR  67  -2.050 -13.438 -22.690
  449    HH   TYR  67           HH       TYR  67  -3.241 -14.171 -20.954
  450    H    HIS  68           HN       HIS  68   1.771  -8.139 -24.134
  451    HA   HIS  68           HA       HIS  68   2.353  -9.943 -26.451
  452   1HB   HIS  68          2HB       HIS  68   0.082  -8.856 -26.459
  453   2HB   HIS  68          1HB       HIS  68   0.890  -7.289 -26.525
  454    HD1  HIS  68           HD1      HIS  68   1.272 -10.581 -28.435
  455    HD2  HIS  68           HD2      HIS  68   1.086  -6.479 -29.147
  456    HE1  HIS  68           HE1      HIS  68   1.507 -10.278 -30.938
  Start of MODEL   18
    1   1H    GLY   1          1HT       GLY   1  16.075  -6.481   0.928
    2   2H    GLY   1          2HT       GLY   1  16.343  -8.065   1.480
    3   3H    GLY   1          3HT       GLY   1  14.895  -7.263   1.862
    4   1HA   GLY   1          1HA       GLY   1  15.767  -8.121  -0.844
    5   2HA   GLY   1          2HA       GLY   1  14.488  -8.858   0.122
    6    H    LYS   2           H        LYS   2  12.537  -8.260  -0.681
    7    HA   LYS   2           HA       LYS   2  12.250  -5.560  -1.894
    8   1HB   LYS   2          2HB       LYS   2  11.407  -7.962  -2.821
    9   2HB   LYS   2          1HB       LYS   2   9.976  -7.472  -1.915
   10   1HG   LYS   2          2HG       LYS   2  10.570  -5.144  -3.198
   11   2HG   LYS   2          1HG       LYS   2  11.127  -6.322  -4.388
   12   1HD   LYS   2          2HD       LYS   2   8.567  -7.103  -3.247
   13   2HD   LYS   2          1HD       LYS   2   8.481  -5.502  -3.981
   14   1HE   LYS   2          2HE       LYS   2  10.017  -7.232  -5.688
   15   2HE   LYS   2          1HE       LYS   2   8.483  -8.014  -5.305
   16   1HZ   LYS   2          1HZ       LYS   2   7.301  -6.085  -6.033
   17   2HZ   LYS   2          2HZ       LYS   2   8.376  -6.545  -7.265
   18   3HZ   LYS   2          3HZ       LYS   2   8.740  -5.218  -6.267
   19    H    GLU   3           H        GLU   3  11.382  -3.978  -0.645
   20    HA   GLU   3           HA       GLU   3   9.113  -4.542   1.113
   21   1HB   GLU   3          2HB       GLU   3  10.486  -3.379   3.054
   22   2HB   GLU   3          1HB       GLU   3  10.604  -5.120   2.799
   23   1HG   GLU   3          2HG       GLU   3  12.750  -4.997   2.020
   24   2HG   GLU   3          1HG       GLU   3  12.473  -3.456   1.207
   25    H    CYS   4           H        CYS   4   9.403  -2.877  -1.145
   26    HA   CYS   4           HA       CYS   4   8.960  -0.238   0.148
   27   1HB   CYS   4          2HB       CYS   4  10.694  -0.788  -2.269
   28   2HB   CYS   4          1HB       CYS   4  10.074   0.817  -1.886
   29    H    ASP   5           H        ASP   5   6.713  -0.512  -0.129
   30    HA   ASP   5           HA       ASP   5   5.361  -1.422  -2.416
   31   1HB   ASP   5          2HB       ASP   5   4.506  -0.551  -0.048
   32   2HB   ASP   5          1HB       ASP   5   4.250   0.941  -0.953
   33    H    CYS   6           H        CYS   6   6.545   1.858  -1.689
   34    HA   CYS   6           HA       CYS   6   6.259   2.470  -4.601
   35   1HB   CYS   6          2HB       CYS   6   5.951   4.676  -2.602
   36   2HB   CYS   6          1HB       CYS   6   5.247   4.521  -4.210
   37    H    SER   7           H        SER   7   7.576   4.763  -4.878
   38    HA   SER   7           HA       SER   7  10.162   4.408  -3.423
   39   1HB   SER   7          2HB       SER   7  11.388   4.682  -5.420
   40   2HB   SER   7          1HB       SER   7  10.061   3.625  -5.895
   41    HG   SER   7           HG       SER   7   9.286   5.165  -7.107
   42    H    SER   8           H        SER   8   7.616   6.378  -3.657
   43    HA   SER   8           HA       SER   8   9.144   8.907  -3.895
   44   1HB   SER   8          2HB       SER   8   6.316   9.117  -3.227
   45   2HB   SER   8          1HB       SER   8   7.209   9.857  -4.548
   46    HG   SER   8           HG       SER   8   6.377   8.378  -5.772
   47    HA   PRO   9           HA       PRO   9   9.301   8.839   0.580
   48   1HB   PRO   9          2HB       PRO   9  10.968  11.013   0.792
   49   2HB   PRO   9          1HB       PRO   9  11.534   9.377   0.411
   50   1HG   PRO   9          2HG       PRO   9  11.248  11.730  -1.397
   51   2HG   PRO   9          1HG       PRO   9  12.336  10.339  -1.530
   52   1HD   PRO   9          2HD       PRO   9   9.935  10.716  -2.987
   53   2HD   PRO   9          1HD       PRO   9  10.863   9.205  -2.869
   54    H    GLU  10           H        GLU  10   7.553  10.789  -1.371
   55    HA   GLU  10           HA       GLU  10   6.780  12.594   0.889
   56   1HB   GLU  10          2HB       GLU  10   7.655  13.278  -1.747
   57   2HB   GLU  10          1HB       GLU  10   5.948  13.705  -1.609
   58   1HG   GLU  10          2HG       GLU  10   6.811  15.609  -0.669
   59   2HG   GLU  10          1HG       GLU  10   6.822  14.606   0.781
   60    H    ASN  11           H        ASN  11   5.815  10.108  -1.174
   61    HA   ASN  11           HA       ASN  11   3.067  10.790  -1.595
   62   1HB   ASN  11          2HB       ASN  11   4.765   8.658  -2.267
   63   2HB   ASN  11          1HB       ASN  11   3.490   7.936  -1.282
   64   1HD2  ASN  11          1HD2      ASN  11   2.875   6.927  -3.483
   65   2HD2  ASN  11          2HD2      ASN  11   1.867   7.835  -4.504
   66    HA   PRO  12           HA       PRO  12   1.578  10.134   2.515
   67   1HB   PRO  12          2HB       PRO  12  -1.098  10.116   1.896
   68   2HB   PRO  12          1HB       PRO  12  -0.123  11.594   1.970
   69   1HG   PRO  12          2HG       PRO  12  -1.151  10.142  -0.424
   70   2HG   PRO  12          1HG       PRO  12  -0.740  11.856  -0.241
   71   1HD   PRO  12          2HD       PRO  12   0.865   9.882  -1.496
   72   2HD   PRO  12          1HD       PRO  12   1.385  11.516  -1.029
   73    H    CYS  13           H        CYS  13   0.616   8.058  -0.166
   74    HA   CYS  13           HA       CYS  13  -0.438   5.986   1.657
   75   1HB   CYS  13          2HB       CYS  13  -0.743   6.656  -1.125
   76   2HB   CYS  13          1HB       CYS  13  -0.201   4.984  -0.979
   77    H    CYS  14           H        CYS  14   2.550   6.880   1.302
   78    HA   CYS  14           HA       CYS  14   3.576   4.103   1.390
   79   1HB   CYS  14          2HB       CYS  14   4.930   6.160  -0.363
   80   2HB   CYS  14          1HB       CYS  14   5.235   4.424  -0.287
   81    H    ASP  15           H        ASP  15   3.880   4.607   3.616
   82    HA   ASP  15           HA       ASP  15   5.127   6.730   4.839
   83   1HB   ASP  15          2HB       ASP  15   4.511   4.137   5.554
   84   2HB   ASP  15          1HB       ASP  15   6.260   4.194   5.714
   85    H    ALA  16           H        ALA  16   7.031   7.765   4.461
   86    HA   ALA  16           HA       ALA  16   9.024   6.647   2.694
   87   1HB   ALA  16          1HB       ALA  16  10.206   8.793   4.041
   88   2HB   ALA  16          2HB       ALA  16   8.491   9.202   3.983
   89   3HB   ALA  16          3HB       ALA  16   9.370   8.869   2.490
   90    H    ALA  17           H        ALA  17   8.476   6.574   6.109
   91    HA   ALA  17           HA       ALA  17  11.174   6.167   6.994
   92   1HB   ALA  17          1HB       ALA  17   9.498   4.676   8.691
   93   2HB   ALA  17          2HB       ALA  17   8.506   6.022   8.127
   94   3HB   ALA  17          3HB       ALA  17  10.042   6.335   8.937
   95    H    THR  18           H        THR  18   8.788   4.049   5.540
   96    HA   THR  18           HA       THR  18  10.841   1.884   5.540
   97    HB   THR  18           HB       THR  18   9.273   1.233   7.255
   98    HG1  THR  18           HG1      THR  18   9.197  -0.671   6.414
   99   1HG2  THR  18          1HG2      THR  18   7.459   2.752   5.760
  100   2HG2  THR  18          2HG2      THR  18   7.107   1.846   7.233
  101   3HG2  THR  18          3HG2      THR  18   6.852   1.100   5.655
  102    H    CYS  19           H        CYS  19   9.812   3.926   3.572
  103    HA   CYS  19           HA       CYS  19   8.927   4.031   1.380
  104   1HB   CYS  19          2HB       CYS  19  10.211   2.624  -0.143
  105   2HB   CYS  19          1HB       CYS  19  11.265   3.211   1.141
  106    H    LYS  20           H        LYS  20   7.251   2.367   3.250
  107    HA   LYS  20           HA       LYS  20   6.044   0.614   1.149
  108   1HB   LYS  20          2HB       LYS  20   6.296   0.164   4.126
  109   2HB   LYS  20          1HB       LYS  20   5.155  -0.735   3.125
  110   1HG   LYS  20          2HG       LYS  20   6.794  -1.970   2.135
  111   2HG   LYS  20          1HG       LYS  20   7.908  -0.605   2.058
  112   1HD   LYS  20          2HD       LYS  20   8.940  -1.232   3.961
  113   2HD   LYS  20          1HD       LYS  20   7.403  -1.411   4.808
  114   1HE   LYS  20          2HE       LYS  20   8.047  -3.496   2.788
  115   2HE   LYS  20          1HE       LYS  20   9.014  -3.507   4.264
  116   1HZ   LYS  20          1HZ       LYS  20   6.047  -3.449   4.210
  117   2HZ   LYS  20          2HZ       LYS  20   7.040  -3.628   5.578
  118   3HZ   LYS  20          3HZ       LYS  20   6.969  -4.858   4.408
  119    H    LEU  21           H        LEU  21   3.625   0.152   1.814
  120    HA   LEU  21           HA       LEU  21   2.193   2.569   1.612
  121   1HB   LEU  21          2HB       LEU  21   1.444  -0.222   2.407
  122   2HB   LEU  21          1HB       LEU  21   0.260   1.073   2.586
  123    HG   LEU  21           HG       LEU  21   1.773   0.621   0.010
  124   1HD1  LEU  21          1HD1      LEU  21  -0.881  -0.233  -0.313
  125   2HD1  LEU  21          2HD1      LEU  21  -0.348  -0.970   1.198
  126   3HD1  LEU  21          3HD1      LEU  21   0.556  -1.256  -0.290
  127   1HD2  LEU  21          1HD2      LEU  21  -0.849   1.684  -0.309
  128   2HD2  LEU  21          2HD2      LEU  21   0.689   2.501  -0.587
  129   3HD2  LEU  21          3HD2      LEU  21  -0.079   2.581   0.999
  130    H    ARG  22           H        ARG  22   1.678   4.101   3.082
  131    HA   ARG  22           HA       ARG  22   2.410   3.633   5.894
  132   1HB   ARG  22          2HB       ARG  22   3.079   5.760   5.023
  133   2HB   ARG  22          1HB       ARG  22   1.470   6.095   4.401
  134   1HG   ARG  22          2HG       ARG  22   0.806   5.772   6.971
  135   2HG   ARG  22          1HG       ARG  22   2.489   6.241   7.205
  136   1HD   ARG  22          2HD       ARG  22   1.459   7.997   5.248
  137   2HD   ARG  22          1HD       ARG  22   0.230   7.899   6.509
  138    HE   ARG  22           HE       ARG  22   3.059   8.447   7.271
  139   1HH1  ARG  22          1HH2      ARG  22   0.781  10.429   6.094
  140   2HH1  ARG  22          2HH2      ARG  22   0.459  11.307   7.551
  141   1HH2  ARG  22          1HH1      ARG  22   2.202   9.101   9.581
  142   2HH2  ARG  22          2HH1      ARG  22   1.261  10.555   9.525
  143    HA   PRO  23           HA       PRO  23  -2.287   4.293   6.363
  144   1HB   PRO  23          2HB       PRO  23  -3.821   4.280   4.086
  145   2HB   PRO  23          1HB       PRO  23  -3.115   5.753   4.775
  146   1HG   PRO  23          2HG       PRO  23  -2.303   4.249   2.341
  147   2HG   PRO  23          1HG       PRO  23  -2.036   5.952   2.748
  148   1HD   PRO  23          2HD       PRO  23  -0.132   3.841   2.944
  149   2HD   PRO  23          1HD       PRO  23   0.052   5.498   3.550
  150    H    GLY  24           H        GLY  24  -4.431   2.861   5.479
  151   1HA   GLY  24          2HA       GLY  24  -3.408   0.081   5.513
  152   2HA   GLY  24          1HA       GLY  24  -5.078   0.570   5.811
  153    H    ALA  25           H        ALA  25  -3.480   2.016   3.127
  154    HA   ALA  25           HA       ALA  25  -5.406   1.067   1.248
  155   1HB   ALA  25          1HB       ALA  25  -2.649   2.191   0.685
  156   2HB   ALA  25          2HB       ALA  25  -4.086   3.168   0.989
  157   3HB   ALA  25          3HB       ALA  25  -4.007   2.136  -0.439
  158    H    GLN  26           H        GLN  26  -4.630  -0.083  -0.852
  159    HA   GLN  26           HA       GLN  26  -3.120  -2.508  -0.016
  160   1HB   GLN  26          2HB       GLN  26  -5.458  -2.037  -1.654
  161   2HB   GLN  26          1HB       GLN  26  -4.246  -2.962  -2.539
  162   1HG   GLN  26          2HG       GLN  26  -5.126  -4.747  -1.433
  163   2HG   GLN  26          1HG       GLN  26  -4.156  -4.162  -0.083
  164   1HE2  GLN  26          1HE2      GLN  26  -7.320  -4.977  -0.963
  165   2HE2  GLN  26          2HE2      GLN  26  -8.145  -4.156   0.272
  166    H    CYS  27           H        CYS  27  -2.712   0.349  -1.719
  167    HA   CYS  27           HA       CYS  27  -0.127  -0.412  -2.694
  168   1HB   CYS  27          2HB       CYS  27  -0.611  -0.103  -5.129
  169   2HB   CYS  27          1HB       CYS  27  -1.377  -1.540  -4.450
  170    H    GLY  28           H        GLY  28   1.040   1.442  -3.471
  171   1HA   GLY  28          2HA       GLY  28  -0.384   4.010  -2.921
  172   2HA   GLY  28          1HA       GLY  28   1.340   3.763  -2.673
  173    H    GLU  29           H        GLU  29   0.747   2.157  -5.459
  174    HA   GLU  29           HA       GLU  29   0.338   4.215  -7.386
  175   1HB   GLU  29          2HB       GLU  29   2.591   4.720  -8.098
  176   2HB   GLU  29          1HB       GLU  29   2.487   5.040  -6.367
  177   1HG   GLU  29          2HG       GLU  29   4.399   3.774  -6.336
  178   2HG   GLU  29          1HG       GLU  29   3.233   2.452  -6.279
  179    H    GLY  30           H        GLY  30  -0.181   3.146  -9.220
  180   1HA   GLY  30          2HA       GLY  30   1.337   1.070 -10.416
  181   2HA   GLY  30          1HA       GLY  30   0.042   0.321  -9.483
  182    H    LEU  31           H        LEU  31   0.112   0.082 -12.281
  183    HA   LEU  31           HA       LEU  31  -1.455   2.086 -13.618
  184   1HB   LEU  31          2HB       LEU  31  -0.226  -0.391 -14.296
  185   2HB   LEU  31          1HB       LEU  31  -1.904  -0.442 -14.826
  186    HG   LEU  31           HG       LEU  31   0.138   1.695 -15.491
  187   1HD1  LEU  31          1HD1      LEU  31   0.088   0.851 -17.684
  188   2HD1  LEU  31          2HD1      LEU  31  -1.433  -0.001 -17.422
  189   3HD1  LEU  31          3HD1      LEU  31   0.055  -0.614 -16.703
  190   1HD2  LEU  31          1HD2      LEU  31  -1.908   2.385 -17.018
  191   2HD2  LEU  31          2HD2      LEU  31  -1.832   2.935 -15.343
  192   3HD2  LEU  31          3HD2      LEU  31  -2.849   1.560 -15.775
  193    H    CYS  32           H        CYS  32  -2.361  -1.132 -12.340
  194    HA   CYS  32           HA       CYS  32  -5.211  -0.307 -12.514
  195   1HB   CYS  32          2HB       CYS  32  -4.092  -3.032 -11.818
  196   2HB   CYS  32          1HB       CYS  32  -5.749  -2.645 -12.282
  197    H    CYS  33           H        CYS  33  -4.667   1.183 -10.605
  198    HA   CYS  33           HA       CYS  33  -5.409  -0.255  -8.136
  199   1HB   CYS  33          2HB       CYS  33  -2.737   0.701  -8.627
  200   2HB   CYS  33          1HB       CYS  33  -3.457   1.631  -7.312
  201    H    GLU  34           H        GLU  34  -7.229   0.813  -7.597
  202    HA   GLU  34           HA       GLU  34  -7.929   3.429  -8.440
  203   1HB   GLU  34          2HB       GLU  34  -9.244   1.403  -7.186
  204   2HB   GLU  34          1HB       GLU  34  -9.051   2.551  -5.867
  205   1HG   GLU  34          2HG       GLU  34  -9.839   4.285  -7.727
  206   2HG   GLU  34          1HG       GLU  34 -10.584   2.839  -8.411
  207    H    GLN  35           H        GLN  35  -8.670   4.934  -6.269
  208    HA   GLN  35           HA       GLN  35  -6.269   6.248  -5.546
  209   1HB   GLN  35          2HB       GLN  35  -7.628   7.481  -3.925
  210   2HB   GLN  35          1HB       GLN  35  -8.527   7.288  -5.429
  211   1HG   GLN  35          2HG       GLN  35  -9.102   4.993  -3.890
  212   2HG   GLN  35          1HG       GLN  35  -9.213   6.359  -2.781
  213   1HE2  GLN  35          1HE2      GLN  35 -11.561   6.322  -2.699
  214   2HE2  GLN  35          2HE2      GLN  35 -12.508   6.766  -4.036
  215    H    CYS  36           H        CYS  36  -4.795   4.693  -4.741
  216    HA   CYS  36           HA       CYS  36  -3.707   3.500  -3.046
  217   1HB   CYS  36          2HB       CYS  36  -5.773   5.027  -1.462
  218   2HB   CYS  36          1HB       CYS  36  -4.680   3.888  -0.682
  219    H    LYS  37           H        LYS  37  -5.586   2.106  -4.609
  220    HA   LYS  37           HA       LYS  37  -6.251  -0.077  -2.758
  221   1HB   LYS  37          2HB       LYS  37  -8.295   1.739  -3.904
  222   2HB   LYS  37          1HB       LYS  37  -8.646   0.015  -4.037
  223   1HG   LYS  37          2HG       LYS  37  -8.086  -0.167  -1.560
  224   2HG   LYS  37          1HG       LYS  37  -8.086   1.596  -1.518
  225   1HD   LYS  37          2HD       LYS  37 -10.357   1.741  -1.767
  226   2HD   LYS  37          1HD       LYS  37 -10.438   0.318  -2.806
  227   1HE   LYS  37          2HE       LYS  37  -9.691  -0.042   0.074
  228   2HE   LYS  37          1HE       LYS  37 -11.384   0.222  -0.338
  229   1HZ   LYS  37          1HZ       LYS  37  -9.779  -2.102  -0.707
  230   2HZ   LYS  37          2HZ       LYS  37 -10.494  -1.609  -2.166
  231   3HZ   LYS  37          3HZ       LYS  37 -11.463  -1.931  -0.808
  232    H    PHE  38           H        PHE  38  -6.671  -2.075  -3.909
  233    HA   PHE  38           HA       PHE  38  -5.330  -2.220  -6.488
  234   1HB   PHE  38          2HB       PHE  38  -6.670  -4.182  -4.656
  235   2HB   PHE  38          1HB       PHE  38  -6.361  -4.651  -6.324
  236    HD1  PHE  38           HD1      PHE  38  -3.854  -3.493  -7.044
  237    HD2  PHE  38           HD2      PHE  38  -5.054  -5.113  -3.254
  238    HE1  PHE  38           HE1      PHE  38  -1.482  -3.965  -6.496
  239    HE2  PHE  38           HE2      PHE  38  -2.682  -5.580  -2.702
  240    HZ   PHE  38           HZ       PHE  38  -0.896  -5.008  -4.324
  241    H    SER  39           H        SER  39  -6.308  -1.900  -8.449
  242    HA   SER  39           HA       SER  39  -9.098  -1.365  -8.716
  243   1HB   SER  39          2HB       SER  39  -7.250  -2.347 -10.878
  244   2HB   SER  39          1HB       SER  39  -8.741  -1.449 -11.103
  245    HG   SER  39           HG       SER  39  -7.472   0.067  -9.538
  246    H    ARG  40           H        ARG  40 -10.262  -2.906 -10.580
  247    HA   ARG  40           HA       ARG  40 -10.471  -5.488  -9.202
  248   1HB   ARG  40          2HB       ARG  40 -12.432  -5.846 -10.694
  249   2HB   ARG  40          1HB       ARG  40 -12.553  -4.336  -9.790
  250   1HG   ARG  40          2HG       ARG  40 -12.144  -3.021 -11.662
  251   2HG   ARG  40          1HG       ARG  40 -11.255  -4.299 -12.493
  252   1HD   ARG  40          2HD       ARG  40 -13.147  -4.750 -13.633
  253   2HD   ARG  40          1HD       ARG  40 -13.828  -5.347 -12.121
  254    HE   ARG  40           HE       ARG  40 -14.886  -3.175 -11.798
  255   1HH1  ARG  40          1HH2      ARG  40 -12.545  -2.528 -14.060
  256   2HH1  ARG  40          2HH2      ARG  40 -13.572  -1.676 -15.165
  257   1HH2  ARG  40          1HH1      ARG  40 -16.501  -2.535 -13.520
  258   2HH2  ARG  40          2HH1      ARG  40 -15.811  -1.680 -14.859
  259    H    ALA  41           H        ALA  41  -9.881  -7.456 -10.140
  260    HA   ALA  41           HA       ALA  41  -7.788  -7.550 -12.004
  261   1HB   ALA  41          1HB       ALA  41  -9.420  -9.447 -10.635
  262   2HB   ALA  41          2HB       ALA  41  -7.874  -9.728 -11.435
  263   3HB   ALA  41          3HB       ALA  41  -9.378  -9.914 -12.335
  264    H    GLY  42           H        GLY  42  -8.200  -8.999 -14.173
  265   1HA   GLY  42          2HA       GLY  42  -8.959  -8.849 -16.388
  266   2HA   GLY  42          1HA       GLY  42 -10.549  -8.544 -15.690
  267    H    LYS  43           H        LYS  43  -7.893  -6.448 -14.853
  268    HA   LYS  43           HA       LYS  43  -9.315  -4.225 -16.166
  269   1HB   LYS  43          2HB       LYS  43  -8.670  -3.619 -13.992
  270   2HB   LYS  43          1HB       LYS  43  -7.106  -4.409 -14.137
  271   1HG   LYS  43          2HG       LYS  43  -6.785  -1.994 -14.253
  272   2HG   LYS  43          1HG       LYS  43  -6.442  -2.693 -15.831
  273   1HD   LYS  43          2HD       LYS  43  -8.023  -1.395 -16.760
  274   2HD   LYS  43          1HD       LYS  43  -9.240  -2.123 -15.710
  275   1HE   LYS  43          2HE       LYS  43  -7.411   0.034 -14.672
  276   2HE   LYS  43          1HE       LYS  43  -8.877   0.448 -15.563
  277   1HZ   LYS  43          1HZ       LYS  43  -8.708  -0.139 -12.896
  278   2HZ   LYS  43          2HZ       LYS  43  -9.356  -1.552 -13.585
  279   3HZ   LYS  43          3HZ       LYS  43 -10.130  -0.058 -13.818
  280    H    ILE  44           H        ILE  44  -8.665  -3.391 -18.104
  281    HA   ILE  44           HA       ILE  44  -6.377  -4.576 -19.455
  282    HB   ILE  44           HB       ILE  44  -8.292  -4.014 -20.786
  283   1HG1  ILE  44          2HG1      ILE  44  -7.290  -2.246 -22.349
  284   2HG1  ILE  44          1HG1      ILE  44  -5.950  -2.142 -21.207
  285   1HG2  ILE  44          1HG2      ILE  44  -9.559  -2.362 -19.903
  286   2HG2  ILE  44          2HG2      ILE  44  -8.542  -1.280 -20.855
  287   3HG2  ILE  44          3HG2      ILE  44  -8.170  -1.573 -19.156
  288   1HD1  ILE  44          1HD1      ILE  44  -6.827  -4.828 -22.231
  289   2HD1  ILE  44          2HD1      ILE  44  -5.246  -4.332 -21.628
  290   3HD1  ILE  44          3HD1      ILE  44  -5.785  -3.810 -23.225
  291    H    CYS  45           H        CYS  45  -4.517  -3.998 -18.371
  292    HA   CYS  45           HA       CYS  45  -3.922  -1.240 -17.613
  293   1HB   CYS  45          2HB       CYS  45  -1.659  -2.233 -17.091
  294   2HB   CYS  45          1HB       CYS  45  -3.001  -3.016 -16.267
  295    H    ARG  46           H        ARG  46  -3.624  -3.136 -20.454
  296    HA   ARG  46           HA       ARG  46  -2.614  -0.976 -22.021
  297   1HB   ARG  46          2HB       ARG  46  -0.611  -2.311 -20.524
  298   2HB   ARG  46          1HB       ARG  46  -0.424  -2.838 -22.196
  299   1HG   ARG  46          2HG       ARG  46   0.106  -0.730 -22.951
  300   2HG   ARG  46          1HG       ARG  46  -0.893   0.070 -21.736
  301   1HD   ARG  46          2HD       ARG  46   0.748  -0.445 -19.999
  302   2HD   ARG  46          1HD       ARG  46   1.730  -1.337 -21.160
  303    HE   ARG  46           HE       ARG  46   1.269   1.397 -22.015
  304   1HH1  ARG  46          1HH2      ARG  46   2.327   1.625 -19.197
  305   2HH1  ARG  46          2HH2      ARG  46   4.038   1.661 -19.465
  306   1HH2  ARG  46          1HH1      ARG  46   3.823   0.452 -22.708
  307   2HH2  ARG  46          2HH1      ARG  46   4.885   0.997 -21.453
  308    H    ILE  47           H        ILE  47  -2.588  -1.528 -24.240
  309    HA   ILE  47           HA       ILE  47  -3.973  -4.039 -24.880
  310    HB   ILE  47           HB       ILE  47  -4.655  -1.973 -26.016
  311   1HG1  ILE  47          2HG1      ILE  47  -3.964  -2.829 -28.459
  312   2HG1  ILE  47          1HG1      ILE  47  -3.458  -4.247 -27.539
  313   1HG2  ILE  47          1HG2      ILE  47  -2.482  -0.813 -25.943
  314   2HG2  ILE  47          2HG2      ILE  47  -3.096  -0.871 -27.594
  315   3HG2  ILE  47          3HG2      ILE  47  -1.816  -1.975 -27.090
  316   1HD1  ILE  47          1HD1      ILE  47  -5.971  -3.525 -26.492
  317   2HD1  ILE  47          2HD1      ILE  47  -5.607  -4.914 -27.516
  318   3HD1  ILE  47          3HD1      ILE  47  -6.133  -3.396 -28.243
  319    H    ALA  48           H        ALA  48  -3.082  -5.734 -26.103
  320    HA   ALA  48           HA       ALA  48  -0.312  -6.264 -25.816
  321   1HB   ALA  48          1HB       ALA  48  -0.732  -8.251 -26.925
  322   2HB   ALA  48          2HB       ALA  48  -1.831  -7.497 -28.080
  323   3HB   ALA  48          3HB       ALA  48  -2.370  -7.823 -26.432
  324    H    LYS  49           H        LYS  49   0.726  -7.030 -28.236
  325    HA   LYS  49           HA       LYS  49   0.544  -4.710 -30.062
  326   1HB   LYS  49          2HB       LYS  49   3.143  -5.612 -28.868
  327   2HB   LYS  49          1HB       LYS  49   2.923  -4.276 -29.990
  328   1HG   LYS  49          2HG       LYS  49   1.272  -3.366 -28.181
  329   2HG   LYS  49          1HG       LYS  49   2.118  -4.470 -27.096
  330   1HD   LYS  49          2HD       LYS  49   3.286  -2.168 -28.674
  331   2HD   LYS  49          1HD       LYS  49   3.265  -2.378 -26.924
  332   1HE   LYS  49          2HE       LYS  49   4.668  -4.466 -27.265
  333   2HE   LYS  49          1HE       LYS  49   4.849  -3.975 -28.949
  334   1HZ   LYS  49          1HZ       LYS  49   6.619  -3.243 -27.277
  335   2HZ   LYS  49          2HZ       LYS  49   5.470  -2.108 -26.752
  336   3HZ   LYS  49          3HZ       LYS  49   6.019  -2.084 -28.360
  337    H    GLY  50           H        GLY  50  -0.335  -7.284 -30.648
  338   1HA   GLY  50          2HA       GLY  50   1.079  -7.901 -33.032
  339   2HA   GLY  50          1HA       GLY  50   1.605  -9.017 -31.784
  340    H    ASP  51           H        ASP  51   0.163 -10.564 -31.013
  341    HA   ASP  51           HA       ASP  51  -2.616 -10.586 -31.884
  342   1HB   ASP  51          2HB       ASP  51  -0.586 -11.959 -33.384
  343   2HB   ASP  51          1HB       ASP  51  -1.675 -13.132 -32.649
  344    H    TRP  52           H        TRP  52  -3.146 -10.753 -29.674
  345    HA   TRP  52           HA       TRP  52  -3.106 -13.382 -28.524
  346   1HB   TRP  52          2HB       TRP  52  -1.663 -12.119 -26.484
  347   2HB   TRP  52          1HB       TRP  52  -1.071 -13.396 -27.543
  348    HD1  TRP  52           HD1      TRP  52  -1.636  -9.597 -28.103
  349    HE1  TRP  52           HE1      TRP  52   0.497  -8.613 -29.144
  350    HE3  TRP  52           HE3      TRP  52   1.284 -13.786 -28.264
  351    HZ2  TRP  52           HZ2      TRP  52   3.101  -9.474 -29.934
  352    HZ3  TRP  52           HZ3      TRP  52   3.586 -13.670 -29.178
  353    HH2  TRP  52           HH2      TRP  52   4.488 -11.514 -30.021
  354    H    ASN  53           H        ASN  53  -3.334 -12.743 -25.813
  355    HA   ASN  53           HA       ASN  53  -5.916 -11.350 -25.827
  356   1HB   ASN  53          2HB       ASN  53  -4.306 -12.624 -23.594
  357   2HB   ASN  53          1HB       ASN  53  -5.916 -11.933 -23.388
  358   1HD2  ASN  53          1HD2      ASN  53  -7.167 -12.807 -25.778
  359   2HD2  ASN  53          2HD2      ASN  53  -7.252 -14.501 -25.772
  360    H    ASP  54           H        ASP  54  -6.367  -9.509 -24.403
  361    HA   ASP  54           HA       ASP  54  -4.305  -7.485 -24.545
  362   1HB   ASP  54          2HB       ASP  54  -7.126  -7.619 -23.882
  363   2HB   ASP  54          1HB       ASP  54  -6.254  -6.552 -22.782
  364    H    ASP  55           H        ASP  55  -3.731  -6.191 -22.502
  365    HA   ASP  55           HA       ASP  55  -2.668  -8.075 -20.524
  366   1HB   ASP  55          2HB       ASP  55  -2.457  -5.079 -20.591
  367   2HB   ASP  55          1HB       ASP  55  -1.460  -6.175 -19.645
  368    H    ARG  56           H        ARG  56  -3.980  -8.714 -18.881
  369    HA   ARG  56           HA       ARG  56  -5.945  -6.748 -17.792
  370   1HB   ARG  56          2HB       ARG  56  -5.997  -9.697 -17.296
  371   2HB   ARG  56          1HB       ARG  56  -7.317  -8.546 -17.166
  372   1HG   ARG  56          2HG       ARG  56  -6.120  -8.648 -19.848
  373   2HG   ARG  56          1HG       ARG  56  -6.852 -10.172 -19.345
  374   1HD   ARG  56          2HD       ARG  56  -8.975  -9.229 -19.115
  375   2HD   ARG  56          1HD       ARG  56  -8.337  -7.598 -18.914
  376    HE   ARG  56           HE       ARG  56  -7.775  -7.676 -21.375
  377   1HH1  ARG  56          1HH2      ARG  56  -9.019 -10.667 -20.716
  378   2HH1  ARG  56          2HH2      ARG  56 -10.301 -10.611 -21.878
  379   1HH2  ARG  56          1HH1      ARG  56  -9.878  -7.244 -22.582
  380   2HH2  ARG  56          2HH1      ARG  56 -10.786  -8.676 -22.935
  381    H    CYS  57           H        CYS  57  -5.888  -6.303 -15.566
  382    HA   CYS  57           HA       CYS  57  -3.449  -7.208 -14.163
  383   1HB   CYS  57          2HB       CYS  57  -5.551  -5.121 -13.541
  384   2HB   CYS  57          1HB       CYS  57  -4.319  -5.590 -12.375
  385    H    THR  58           H        THR  58  -3.617  -8.228 -12.067
  386    HA   THR  58           HA       THR  58  -5.837 -10.107 -11.887
  387    HB   THR  58           HB       THR  58  -4.563 -11.191 -10.251
  388    HG1  THR  58           HG1      THR  58  -2.961  -9.964  -9.049
  389   1HG2  THR  58          1HG2      THR  58  -2.633 -11.507 -11.395
  390   2HG2  THR  58          2HG2      THR  58  -2.155  -9.819 -11.218
  391   3HG2  THR  58          3HG2      THR  58  -3.257 -10.291 -12.511
  392    H    GLY  59           H        GLY  59  -6.734 -10.388  -9.476
  393   1HA   GLY  59          2HA       GLY  59  -8.221  -7.949  -8.919
  394   2HA   GLY  59          1HA       GLY  59  -8.360  -9.467  -8.034
  395    H    GLN  60           H        GLN  60  -5.183  -9.083  -7.979
  396    HA   GLN  60           HA       GLN  60  -5.163  -7.155  -5.701
  397   1HB   GLN  60          2HB       GLN  60  -3.725  -9.825  -5.716
  398   2HB   GLN  60          1HB       GLN  60  -3.799  -8.669  -4.385
  399   1HG   GLN  60          2HG       GLN  60  -6.043  -9.132  -3.929
  400   2HG   GLN  60          1HG       GLN  60  -6.345  -9.759  -5.550
  401   1HE2  GLN  60          1HE2      GLN  60  -5.098 -11.873  -6.075
  402   2HE2  GLN  60          2HE2      GLN  60  -4.917 -12.993  -4.813
  403    H    SER  61           H        SER  61  -4.314  -6.798  -8.462
  404    HA   SER  61           HA       SER  61  -1.358  -6.564  -8.055
  405   1HB   SER  61          2HB       SER  61  -1.827  -8.053  -9.910
  406   2HB   SER  61          1HB       SER  61  -2.965  -6.903 -10.605
  407    HG   SER  61           HG       SER  61  -1.198  -5.458 -10.853
  408    H    ALA  62           H        ALA  62  -0.399  -4.554  -8.588
  409    HA   ALA  62           HA       ALA  62  -2.358  -2.327  -8.990
  410   1HB   ALA  62          1HB       ALA  62   0.329  -2.354  -7.584
  411   2HB   ALA  62          2HB       ALA  62  -1.253  -2.153  -6.832
  412   3HB   ALA  62          3HB       ALA  62  -0.615  -0.895  -7.888
  413    H    ASP  63           H        ASP  63   0.675  -3.756 -10.040
  414    HA   ASP  63           HA       ASP  63   0.972  -1.609 -12.082
  415   1HB   ASP  63          2HB       ASP  63   2.997  -3.748 -11.864
  416   2HB   ASP  63          1HB       ASP  63   3.217  -2.021 -12.110
  417    H    CYS  64           H        CYS  64   2.050  -2.727 -14.201
  418    HA   CYS  64           HA       CYS  64   0.370  -5.102 -14.870
  419   1HB   CYS  64          2HB       CYS  64  -0.712  -3.169 -15.845
  420   2HB   CYS  64          1HB       CYS  64   0.804  -2.627 -16.559
  421    HA   PRO  65           HA       PRO  65   4.467  -6.363 -16.036
  422   1HB   PRO  65          2HB       PRO  65   3.819  -9.021 -15.929
  423   2HB   PRO  65          1HB       PRO  65   4.266  -8.075 -14.509
  424   1HG   PRO  65          2HG       PRO  65   1.615  -9.122 -15.325
  425   2HG   PRO  65          1HG       PRO  65   2.176  -8.627 -13.720
  426   1HD   PRO  65          2HD       PRO  65   0.522  -7.127 -15.498
  427   2HD   PRO  65          1HD       PRO  65   1.221  -6.567 -13.967
  428    H    ARG  66           H        ARG  66   4.664  -8.753 -17.563
  429    HA   ARG  66           HA       ARG  66   3.010  -8.241 -19.960
  430   1HB   ARG  66          2HB       ARG  66   6.018  -8.322 -19.791
  431   2HB   ARG  66          1HB       ARG  66   5.178  -8.700 -21.294
  432   1HG   ARG  66          2HG       ARG  66   3.910  -6.393 -20.534
  433   2HG   ARG  66          1HG       ARG  66   5.551  -6.099 -19.956
  434   1HD   ARG  66          2HD       ARG  66   6.105  -5.549 -22.069
  435   2HD   ARG  66          1HD       ARG  66   5.878  -7.245 -22.496
  436    HE   ARG  66           HE       ARG  66   3.533  -5.406 -22.546
  437   1HH1  ARG  66          1HH2      ARG  66   6.061  -6.835 -24.332
  438   2HH1  ARG  66          2HH2      ARG  66   5.072  -7.246 -25.694
  439   1HH2  ARG  66          1HH1      ARG  66   2.118  -6.221 -24.192
  440   2HH2  ARG  66          2HH1      ARG  66   2.839  -6.900 -25.613
  441    H    TYR  67           H        TYR  67   4.065 -10.171 -21.623
  442    HA   TYR  67           HA       TYR  67   4.539 -12.668 -20.257
  443   1HB   TYR  67          2HB       TYR  67   2.097 -13.173 -21.680
  444   2HB   TYR  67          1HB       TYR  67   2.462 -13.480 -19.987
  445    HD1  TYR  67           HD1      TYR  67   1.728 -10.562 -22.240
  446    HD2  TYR  67           HD2      TYR  67   1.154 -12.395 -18.398
  447    HE1  TYR  67           HE1      TYR  67   0.228  -8.701 -21.577
  448    HE2  TYR  67           HE2      TYR  67  -0.347 -10.536 -17.735
  449    HH   TYR  67           HH       TYR  67  -1.388  -8.689 -18.400
  450    H    HIS  68           HN       HIS  68   3.505 -11.007 -23.198
  451    HA   HIS  68           HA       HIS  68   5.264 -12.863 -24.727
  452   1HB   HIS  68          2HB       HIS  68   2.351 -12.384 -25.104
  453   2HB   HIS  68          1HB       HIS  68   3.336 -12.441 -26.566
  454    HD1  HIS  68           HD1      HIS  68   1.451 -14.625 -24.522
  455    HD2  HIS  68           HD2      HIS  68   5.214 -14.916 -26.297
  456    HE1  HIS  68           HE1      HIS  68   2.011 -17.093 -24.618
  Start of MODEL   19
    1   1H    GLY   1          1HT       GLY   1  19.705  -0.481   1.022
    2   2H    GLY   1          2HT       GLY   1  20.743   0.761   0.505
    3   3H    GLY   1          3HT       GLY   1  19.816  -0.103  -0.628
    4   1HA   GLY   1          1HA       GLY   1  18.649   1.573   1.522
    5   2HA   GLY   1          2HA       GLY   1  18.933   2.145  -0.123
    6    H    LYS   2           H        LYS   2  17.057   2.099  -1.261
    7    HA   LYS   2           HA       LYS   2  15.014   1.333  -2.120
    8   1HB   LYS   2          2HB       LYS   2  16.345  -1.253  -1.301
    9   2HB   LYS   2          1HB       LYS   2  14.738  -1.229  -2.029
   10   1HG   LYS   2          2HG       LYS   2  16.063  -1.439  -3.927
   11   2HG   LYS   2          1HG       LYS   2  15.918   0.317  -3.822
   12   1HD   LYS   2          2HD       LYS   2  18.075  -0.209  -2.177
   13   2HD   LYS   2          1HD       LYS   2  18.287  -1.383  -3.476
   14   1HE   LYS   2          2HE       LYS   2  17.618   0.826  -4.917
   15   2HE   LYS   2          1HE       LYS   2  18.456   1.573  -3.557
   16   1HZ   LYS   2          1HZ       LYS   2  19.523   0.058  -5.720
   17   2HZ   LYS   2          2HZ       LYS   2  19.992  -0.591  -4.221
   18   3HZ   LYS   2          3HZ       LYS   2  20.327   1.034  -4.591
   19    H    GLU   3           H        GLU   3  14.118   2.541  -0.196
   20    HA   GLU   3           HA       GLU   3  12.398   0.724   1.358
   21   1HB   GLU   3          2HB       GLU   3  13.036   1.872   3.515
   22   2HB   GLU   3          1HB       GLU   3  14.309   0.852   2.841
   23   1HG   GLU   3          2HG       GLU   3  15.644   2.670   3.010
   24   2HG   GLU   3          1HG       GLU   3  14.759   3.298   1.619
   25    H    CYS   4           H        CYS   4  11.889   2.642  -0.699
   26    HA   CYS   4           HA       CYS   4  10.078   4.444   0.797
   27   1HB   CYS   4          2HB       CYS   4  12.238   5.631   0.076
   28   2HB   CYS   4          1HB       CYS   4  11.604   5.469  -1.543
   29    H    ASP   5           H        ASP   5   8.338   3.242   0.212
   30    HA   ASP   5           HA       ASP   5   7.821   2.129  -2.339
   31   1HB   ASP   5          2HB       ASP   5   6.652   1.629  -0.128
   32   2HB   ASP   5          1HB       ASP   5   5.692   3.080  -0.418
   33    H    CYS   6           H        CYS   6   7.401   5.434  -1.205
   34    HA   CYS   6           HA       CYS   6   6.315   6.063  -3.919
   35   1HB   CYS   6          2HB       CYS   6   4.658   7.533  -3.052
   36   2HB   CYS   6          1HB       CYS   6   4.521   6.057  -2.100
   37    H    SER   7           H        SER   7   6.554   8.462  -4.420
   38    HA   SER   7           HA       SER   7   9.060   9.496  -3.151
   39   1HB   SER   7          2HB       SER   7   9.924   9.972  -5.209
   40   2HB   SER   7          1HB       SER   7   8.787   8.746  -5.761
   41    HG   SER   7           HG       SER   7   7.476  10.276  -6.501
   42    H    SER   8           H        SER   8   5.925   9.979  -2.927
   43    HA   SER   8           HA       SER   8   6.207  12.953  -2.879
   44   1HB   SER   8          2HB       SER   8   3.505  12.540  -3.196
   45   2HB   SER   8          1HB       SER   8   4.616  12.957  -4.496
   46    HG   SER   8           HG       SER   8   4.844  10.778  -4.953
   47    HA   PRO   9           HA       PRO   9   5.008  12.269   1.340
   48   1HB   PRO   9          2HB       PRO   9   4.892  14.925   2.043
   49   2HB   PRO   9          1HB       PRO   9   6.408  14.021   1.879
   50   1HG   PRO   9          2HG       PRO   9   5.229  16.057   0.046
   51   2HG   PRO   9          1HG       PRO   9   6.926  15.606   0.279
   52   1HD   PRO   9          2HD       PRO   9   5.270  14.783  -1.866
   53   2HD   PRO   9          1HD       PRO   9   6.853  14.095  -1.441
   54    H    GLU  10           H        GLU  10   3.204  14.130  -0.989
   55    HA   GLU  10           HA       GLU  10   0.888  14.514   0.782
   56   1HB   GLU  10          2HB       GLU  10   1.693  15.356  -1.934
   57   2HB   GLU  10          1HB       GLU  10  -0.029  15.021  -1.751
   58   1HG   GLU  10          2HG       GLU  10   0.061  17.260  -1.114
   59   2HG   GLU  10          1HG       GLU  10   0.227  16.455   0.446
   60    H    ASN  11           H        ASN  11   2.113  12.098  -1.324
   61    HA   ASN  11           HA       ASN  11  -0.280  10.882  -2.244
   62   1HB   ASN  11          2HB       ASN  11   2.229  10.371  -2.790
   63   2HB   ASN  11          1HB       ASN  11   2.113   9.256  -1.429
   64   1HD2  ASN  11          1HD2      ASN  11   2.554   7.979  -3.773
   65   2HD2  ASN  11          2HD2      ASN  11   1.139   7.275  -4.392
   66    HA   PRO  12           HA       PRO  12  -1.647   9.592   1.842
   67   1HB   PRO  12          2HB       PRO  12  -4.173   8.889   1.013
   68   2HB   PRO  12          1HB       PRO  12  -3.688  10.556   1.373
   69   1HG   PRO  12          2HG       PRO  12  -4.137   9.260  -1.276
   70   2HG   PRO  12          1HG       PRO  12  -4.286  10.966  -0.822
   71   1HD   PRO  12          2HD       PRO  12  -2.110   9.808  -2.210
   72   2HD   PRO  12          1HD       PRO  12  -2.126  11.414  -1.451
   73    H    CYS  13           H        CYS  13  -0.825   7.816  -0.827
   74    HA   CYS  13           HA       CYS  13  -1.818   5.242   0.317
   75   1HB   CYS  13          2HB       CYS  13  -0.471   5.540  -2.362
   76   2HB   CYS  13          1HB       CYS  13  -1.587   4.285  -1.830
   77    H    CYS  14           H        CYS  14   0.510   6.867   1.306
   78    HA   CYS  14           HA       CYS  14   2.351   4.631   1.556
   79   1HB   CYS  14          2HB       CYS  14   4.208   5.450   0.361
   80   2HB   CYS  14          1HB       CYS  14   2.852   5.710  -0.731
   81    H    ASP  15           H        ASP  15   4.606   6.404   2.102
   82    HA   ASP  15           HA       ASP  15   3.669   8.128   4.303
   83   1HB   ASP  15          2HB       ASP  15   4.039   5.666   5.077
   84   2HB   ASP  15          1HB       ASP  15   5.743   6.078   4.930
   85    H    ALA  16           H        ALA  16   4.839   9.970   4.112
   86    HA   ALA  16           HA       ALA  16   7.313   9.990   2.572
   87   1HB   ALA  16          1HB       ALA  16   5.319  11.885   3.274
   88   2HB   ALA  16          2HB       ALA  16   6.706  12.125   2.212
   89   3HB   ALA  16          3HB       ALA  16   6.844  12.471   3.936
   90    H    ALA  17           H        ALA  17   6.484   9.513   5.834
   91    HA   ALA  17           HA       ALA  17   9.053  10.579   6.855
   92   1HB   ALA  17          1HB       ALA  17   7.846   9.258   8.958
   93   2HB   ALA  17          2HB       ALA  17   6.463   9.813   8.015
   94   3HB   ALA  17          3HB       ALA  17   7.654  10.974   8.599
   95    H    THR  18           H        THR  18   7.323   7.478   6.584
   96    HA   THR  18           HA       THR  18   9.820   6.054   7.309
   97    HB   THR  18           HB       THR  18   7.018   5.550   7.653
   98    HG1  THR  18           HG1      THR  18   8.595   5.246   9.214
   99   1HG2  THR  18          1HG2      THR  18   6.779   3.287   6.882
  100   2HG2  THR  18          2HG2      THR  18   8.463   3.227   6.361
  101   3HG2  THR  18          3HG2      THR  18   7.309   4.244   5.498
  102    H    CYS  19           H        CYS  19   8.246   7.205   4.570
  103    HA   CYS  19           HA       CYS  19   8.490   6.757   2.286
  104   1HB   CYS  19          2HB       CYS  19  11.051   6.309   3.545
  105   2HB   CYS  19          1HB       CYS  19  10.864   5.306   2.130
  106    H    LYS  20           H        LYS  20   6.645   5.232   2.662
  107    HA   LYS  20           HA       LYS  20   7.013   2.779   1.298
  108   1HB   LYS  20          2HB       LYS  20   7.303   2.628   4.256
  109   2HB   LYS  20          1HB       LYS  20   6.324   1.388   3.468
  110   1HG   LYS  20          2HG       LYS  20   8.559   1.608   1.821
  111   2HG   LYS  20          1HG       LYS  20   9.221   1.725   3.451
  112   1HD   LYS  20          2HD       LYS  20   7.867  -0.325   4.050
  113   2HD   LYS  20          1HD       LYS  20   7.477  -0.485   2.337
  114   1HE   LYS  20          2HE       LYS  20  10.160  -0.204   2.160
  115   2HE   LYS  20          1HE       LYS  20  10.049  -0.969   3.746
  116   1HZ   LYS  20          1HZ       LYS  20   8.432  -2.554   2.519
  117   2HZ   LYS  20          2HZ       LYS  20  10.110  -2.770   2.351
  118   3HZ   LYS  20          3HZ       LYS  20   9.221  -2.004   1.121
  119    H    LEU  21           H        LEU  21   5.038   1.440   1.326
  120    HA   LEU  21           HA       LEU  21   2.717   2.895   0.851
  121   1HB   LEU  21          2HB       LEU  21   3.357   0.234   0.786
  122   2HB   LEU  21          1HB       LEU  21   2.220   0.293   2.131
  123    HG   LEU  21           HG       LEU  21   1.078  -0.092  -0.033
  124   1HD1  LEU  21          1HD1      LEU  21  -0.701   1.134   0.626
  125   2HD1  LEU  21          2HD1      LEU  21   0.215   2.637   0.623
  126   3HD1  LEU  21          3HD1      LEU  21   0.331   1.538   1.995
  127   1HD2  LEU  21          1HD2      LEU  21   1.848   1.009  -1.828
  128   2HD2  LEU  21          2HD2      LEU  21   2.785   2.107  -0.816
  129   3HD2  LEU  21          3HD2      LEU  21   1.094   2.453  -1.163
  130    H    ARG  22           H        ARG  22   0.959   3.547   2.063
  131    HA   ARG  22           HA       ARG  22   1.365   3.760   4.958
  132   1HB   ARG  22          2HB       ARG  22  -0.899   4.812   4.921
  133   2HB   ARG  22          1HB       ARG  22   0.179   5.569   3.748
  134   1HG   ARG  22          2HG       ARG  22  -1.484   5.183   2.253
  135   2HG   ARG  22          1HG       ARG  22  -0.918   3.512   2.281
  136   1HD   ARG  22          2HD       ARG  22  -3.196   3.265   2.759
  137   2HD   ARG  22          1HD       ARG  22  -2.477   3.287   4.369
  138    HE   ARG  22           HE       ARG  22  -3.596   5.783   3.167
  139   1HH1  ARG  22          1HH1      ARG  22  -5.530   3.913   4.568
  140   2HH1  ARG  22          2HH1      ARG  22  -5.543   4.570   6.170
  141   1HH2  ARG  22          1HH2      ARG  22  -2.652   6.430   5.716
  142   2HH2  ARG  22          2HH2      ARG  22  -3.914   5.996   6.819
  143    HA   PRO  23           HA       PRO  23  -0.166  -0.428   5.158
  144   1HB   PRO  23          2HB       PRO  23  -0.113  -0.566   7.933
  145   2HB   PRO  23          1HB       PRO  23   1.280  -0.874   6.879
  146   1HG   PRO  23          2HG       PRO  23   0.611   1.605   8.447
  147   2HG   PRO  23          1HG       PRO  23   2.198   0.889   8.103
  148   1HD   PRO  23          2HD       PRO  23   1.234   3.071   6.723
  149   2HD   PRO  23          1HD       PRO  23   2.349   1.895   6.005
  150    H    GLY  24           H        GLY  24  -2.170   0.223   4.345
  151   1HA   GLY  24          2HA       GLY  24  -4.437  -0.188   5.991
  152   2HA   GLY  24          1HA       GLY  24  -4.252   1.553   5.742
  153    H    ALA  25           H        ALA  25  -3.010   1.259   3.117
  154    HA   ALA  25           HA       ALA  25  -5.444   0.791   1.527
  155   1HB   ALA  25          1HB       ALA  25  -4.303   2.842   1.021
  156   2HB   ALA  25          2HB       ALA  25  -3.982   1.744  -0.322
  157   3HB   ALA  25          3HB       ALA  25  -2.749   2.017   0.910
  158    H    GLN  26           H        GLN  26  -4.706  -0.192  -0.803
  159    HA   GLN  26           HA       GLN  26  -3.463  -2.798  -0.114
  160   1HB   GLN  26          2HB       GLN  26  -4.764  -2.209  -2.732
  161   2HB   GLN  26          1HB       GLN  26  -4.638  -3.742  -1.882
  162   1HG   GLN  26          2HG       GLN  26  -6.025  -2.182  -0.082
  163   2HG   GLN  26          1HG       GLN  26  -6.659  -1.632  -1.631
  164   1HE2  GLN  26          1HE2      GLN  26  -8.352  -2.878  -2.434
  165   2HE2  GLN  26          2HE2      GLN  26  -8.643  -4.501  -2.034
  166    H    CYS  27           H        CYS  27  -2.529   0.129  -1.351
  167    HA   CYS  27           HA       CYS  27   0.015  -0.784  -2.202
  168   1HB   CYS  27          2HB       CYS  27  -0.183  -0.384  -4.639
  169   2HB   CYS  27          1HB       CYS  27  -1.141  -1.764  -4.101
  170    H    GLY  28           H        GLY  28   0.899   1.102  -3.901
  171   1HA   GLY  28          2HA       GLY  28  -0.059   3.697  -2.778
  172   2HA   GLY  28          1HA       GLY  28   1.659   3.322  -2.824
  173    H    GLU  29           H        GLU  29   1.179   1.922  -5.515
  174    HA   GLU  29           HA       GLU  29   0.211   3.883  -7.357
  175   1HB   GLU  29          2HB       GLU  29   2.374   4.732  -8.206
  176   2HB   GLU  29          1HB       GLU  29   2.113   5.193  -6.523
  177   1HG   GLU  29          2HG       GLU  29   4.280   4.391  -6.381
  178   2HG   GLU  29          1HG       GLU  29   3.382   2.909  -6.055
  179    H    GLY  30           H        GLY  30  -0.011   2.909  -9.323
  180   1HA   GLY  30          2HA       GLY  30   1.814   1.088 -10.511
  181   2HA   GLY  30          1HA       GLY  30   0.575   0.150  -9.676
  182    H    LEU  31           H        LEU  31   0.530  -0.242 -12.311
  183    HA   LEU  31           HA       LEU  31  -1.018   1.721 -13.774
  184   1HB   LEU  31          2HB       LEU  31   0.266  -0.788 -14.330
  185   2HB   LEU  31          1HB       LEU  31  -1.357  -0.780 -15.007
  186    HG   LEU  31           HG       LEU  31   0.828   1.265 -15.474
  187   1HD1  LEU  31          1HD1      LEU  31   0.253  -1.140 -16.755
  188   2HD1  LEU  31          2HD1      LEU  31   1.195   0.191 -17.428
  189   3HD1  LEU  31          3HD1      LEU  31  -0.533   0.071 -17.767
  190   1HD2  LEU  31          1HD2      LEU  31  -0.929   2.707 -15.640
  191   2HD2  LEU  31          2HD2      LEU  31  -2.112   1.403 -15.735
  192   3HD2  LEU  31          3HD2      LEU  31  -1.226   1.898 -17.178
  193    H    CYS  32           H        CYS  32  -1.768  -1.168 -11.905
  194    HA   CYS  32           HA       CYS  32  -4.666  -0.623 -12.393
  195   1HB   CYS  32          2HB       CYS  32  -3.614  -3.269 -11.423
  196   2HB   CYS  32          1HB       CYS  32  -5.116  -2.922 -12.281
  197    H    CYS  33           H        CYS  33  -3.757   0.959 -10.482
  198    HA   CYS  33           HA       CYS  33  -4.816  -0.300  -8.016
  199   1HB   CYS  33          2HB       CYS  33  -2.035   0.196  -8.422
  200   2HB   CYS  33          1HB       CYS  33  -2.618   1.359  -7.229
  201    H    GLU  34           H        GLU  34  -6.586   1.020  -7.868
  202    HA   GLU  34           HA       GLU  34  -6.706   3.759  -8.609
  203   1HB   GLU  34          2HB       GLU  34  -8.558   1.975  -7.895
  204   2HB   GLU  34          1HB       GLU  34  -8.381   2.806  -6.356
  205   1HG   GLU  34          2HG       GLU  34  -9.720   4.433  -7.145
  206   2HG   GLU  34          1HG       GLU  34  -8.450   4.839  -8.299
  207    H    GLN  35           H        GLN  35  -7.671   5.142  -6.362
  208    HA   GLN  35           HA       GLN  35  -5.284   6.122  -5.201
  209   1HB   GLN  35          2HB       GLN  35  -8.033   6.210  -3.926
  210   2HB   GLN  35          1HB       GLN  35  -6.703   7.339  -3.664
  211   1HG   GLN  35          2HG       GLN  35  -7.225   8.526  -5.511
  212   2HG   GLN  35          1HG       GLN  35  -7.367   7.068  -6.493
  213   1HE2  GLN  35          1HE2      GLN  35  -9.224   9.351  -6.574
  214   2HE2  GLN  35          2HE2      GLN  35 -10.743   8.763  -6.096
  215    H    CYS  36           H        CYS  36  -4.029   4.416  -4.402
  216    HA   CYS  36           HA       CYS  36  -3.360   2.722  -2.924
  217   1HB   CYS  36          2HB       CYS  36  -4.919   3.474  -0.621
  218   2HB   CYS  36          1HB       CYS  36  -3.187   3.634  -0.881
  219    H    LYS  37           H        LYS  37  -5.138   1.647  -4.492
  220    HA   LYS  37           HA       LYS  37  -6.607  -0.209  -2.777
  221   1HB   LYS  37          2HB       LYS  37  -8.029   1.991  -3.387
  222   2HB   LYS  37          1HB       LYS  37  -8.333   1.055  -4.850
  223   1HG   LYS  37          2HG       LYS  37  -9.800  -0.247  -3.752
  224   2HG   LYS  37          1HG       LYS  37  -8.570  -0.672  -2.561
  225   1HD   LYS  37          2HD       LYS  37  -9.793   2.039  -2.340
  226   2HD   LYS  37          1HD       LYS  37 -10.799   0.663  -1.884
  227   1HE   LYS  37          2HE       LYS  37  -8.176   0.272  -0.793
  228   2HE   LYS  37          1HE       LYS  37  -8.728   1.892  -0.362
  229   1HZ   LYS  37          1HZ       LYS  37 -10.600  -0.351  -0.098
  230   2HZ   LYS  37          2HZ       LYS  37 -10.497   1.085   0.804
  231   3HZ   LYS  37          3HZ       LYS  37  -9.386  -0.171   1.073
  232    H    PHE  38           H        PHE  38  -6.343  -2.184  -3.746
  233    HA   PHE  38           HA       PHE  38  -5.115  -2.544  -6.272
  234   1HB   PHE  38          2HB       PHE  38  -6.799  -4.347  -4.541
  235   2HB   PHE  38          1HB       PHE  38  -6.235  -4.892  -6.118
  236    HD1  PHE  38           HD1      PHE  38  -3.552  -3.467  -6.172
  237    HD2  PHE  38           HD2      PHE  38  -5.525  -5.722  -3.092
  238    HE1  PHE  38           HE1      PHE  38  -1.356  -4.035  -5.179
  239    HE2  PHE  38           HE2      PHE  38  -3.327  -6.289  -2.101
  240    HZ   PHE  38           HZ       PHE  38  -1.241  -5.446  -3.144
  241    H    SER  39           H        SER  39  -5.947  -1.967  -8.226
  242    HA   SER  39           HA       SER  39  -8.634  -1.289  -8.737
  243   1HB   SER  39          2HB       SER  39  -6.560  -2.355 -10.637
  244   2HB   SER  39          1HB       SER  39  -8.073  -1.620 -11.139
  245    HG   SER  39           HG       SER  39  -7.413   0.297 -10.249
  246    H    ARG  40           H        ARG  40 -10.039  -2.604 -10.397
  247    HA   ARG  40           HA       ARG  40 -10.462  -5.235  -9.215
  248   1HB   ARG  40          2HB       ARG  40 -12.093  -3.332 -10.473
  249   2HB   ARG  40          1HB       ARG  40 -12.067  -4.722 -11.557
  250   1HG   ARG  40          2HG       ARG  40 -13.062  -6.127 -10.018
  251   2HG   ARG  40          1HG       ARG  40 -12.416  -5.239  -8.637
  252   1HD   ARG  40          2HD       ARG  40 -14.612  -4.241 -10.477
  253   2HD   ARG  40          1HD       ARG  40 -14.865  -4.916  -8.868
  254    HE   ARG  40           HE       ARG  40 -13.004  -2.786  -8.626
  255   1HH1  ARG  40          1HH1      ARG  40 -16.294  -3.394  -9.488
  256   2HH1  ARG  40          2HH1      ARG  40 -16.856  -1.850  -8.941
  257   1HH2  ARG  40          1HH2      ARG  40 -13.730  -0.774  -7.905
  258   2HH2  ARG  40          2HH2      ARG  40 -15.408  -0.370  -8.046
  259    H    ALA  41           H        ALA  41 -10.239  -7.226 -10.315
  260    HA   ALA  41           HA       ALA  41  -8.096  -7.516 -12.118
  261   1HB   ALA  41          1HB       ALA  41  -9.861  -9.621 -12.713
  262   2HB   ALA  41          2HB       ALA  41 -10.183  -9.215 -11.027
  263   3HB   ALA  41          3HB       ALA  41  -8.550  -9.649 -11.533
  264    H    GLY  42           H        GLY  42  -8.796  -8.838 -14.375
  265   1HA   GLY  42          2HA       GLY  42  -9.396  -8.342 -16.598
  266   2HA   GLY  42          1HA       GLY  42 -10.956  -7.905 -15.901
  267    H    LYS  43           H        LYS  43  -8.099  -6.217 -14.829
  268    HA   LYS  43           HA       LYS  43  -9.224  -3.725 -15.891
  269   1HB   LYS  43          2HB       LYS  43  -8.374  -3.473 -13.705
  270   2HB   LYS  43          1HB       LYS  43  -6.909  -4.375 -14.080
  271   1HG   LYS  43          2HG       LYS  43  -6.372  -1.996 -13.972
  272   2HG   LYS  43          1HG       LYS  43  -6.230  -2.542 -15.640
  273   1HD   LYS  43          2HD       LYS  43  -7.453  -0.513 -15.780
  274   2HD   LYS  43          1HD       LYS  43  -8.671  -1.782 -15.922
  275   1HE   LYS  43          2HE       LYS  43  -9.742  -0.873 -14.165
  276   2HE   LYS  43          1HE       LYS  43  -8.366  -1.318 -13.155
  277   1HZ   LYS  43          1HZ       LYS  43  -8.768   1.224 -14.628
  278   2HZ   LYS  43          2HZ       LYS  43  -7.301   0.790 -13.888
  279   3HZ   LYS  43          3HZ       LYS  43  -8.699   1.010 -12.947
  280    H    ILE  44           H        ILE  44  -8.611  -2.840 -17.810
  281    HA   ILE  44           HA       ILE  44  -6.543  -4.138 -19.394
  282    HB   ILE  44           HB       ILE  44  -8.421  -3.313 -20.598
  283   1HG1  ILE  44          2HG1      ILE  44  -7.407  -1.474 -22.032
  284   2HG1  ILE  44          1HG1      ILE  44  -6.036  -1.470 -20.925
  285   1HG2  ILE  44          1HG2      ILE  44  -7.992  -0.914 -18.869
  286   2HG2  ILE  44          2HG2      ILE  44  -9.487  -1.762 -19.261
  287   3HG2  ILE  44          3HG2      ILE  44  -8.747  -0.685 -20.446
  288   1HD1  ILE  44          1HD1      ILE  44  -5.647  -2.925 -22.911
  289   2HD1  ILE  44          2HD1      ILE  44  -7.031  -3.907 -22.430
  290   3HD1  ILE  44          3HD1      ILE  44  -5.604  -3.829 -21.397
  291    H    CYS  45           H        CYS  45  -4.587  -3.817 -18.323
  292    HA   CYS  45           HA       CYS  45  -3.690  -1.168 -17.473
  293   1HB   CYS  45          2HB       CYS  45  -1.536  -2.387 -17.062
  294   2HB   CYS  45          1HB       CYS  45  -2.923  -3.105 -16.255
  295    H    ARG  46           H        ARG  46  -3.700  -2.918 -20.433
  296    HA   ARG  46           HA       ARG  46  -2.442  -0.766 -21.863
  297   1HB   ARG  46          2HB       ARG  46  -0.689  -2.823 -20.751
  298   2HB   ARG  46          1HB       ARG  46  -0.546  -2.699 -22.505
  299   1HG   ARG  46          2HG       ARG  46   0.205  -0.505 -22.429
  300   2HG   ARG  46          1HG       ARG  46  -0.588  -0.177 -20.889
  301   1HD   ARG  46          2HD       ARG  46   1.737  -0.311 -20.381
  302   2HD   ARG  46          1HD       ARG  46   1.056  -1.852 -19.858
  303    HE   ARG  46           HE       ARG  46   1.995  -2.862 -21.919
  304   1HH1  ARG  46          1HH2      ARG  46   2.386  -0.420 -23.562
  305   2HH1  ARG  46          2HH2      ARG  46   4.086  -0.127 -23.405
  306   1HH2  ARG  46          1HH1      ARG  46   4.453  -2.174 -20.631
  307   2HH2  ARG  46          2HH1      ARG  46   5.256  -1.121 -21.746
  308    H    ILE  47           H        ILE  47  -2.118  -1.361 -24.197
  309    HA   ILE  47           HA       ILE  47  -4.097  -3.449 -24.964
  310    HB   ILE  47           HB       ILE  47  -4.570  -1.285 -25.928
  311   1HG1  ILE  47          2HG1      ILE  47  -4.169  -1.805 -28.401
  312   2HG1  ILE  47          1HG1      ILE  47  -3.294  -3.237 -27.859
  313   1HG2  ILE  47          1HG2      ILE  47  -2.848   0.148 -26.172
  314   2HG2  ILE  47          2HG2      ILE  47  -2.403  -0.742 -27.629
  315   3HG2  ILE  47          3HG2      ILE  47  -1.674  -1.164 -26.080
  316   1HD1  ILE  47          1HD1      ILE  47  -5.205  -4.338 -27.379
  317   2HD1  ILE  47          2HD1      ILE  47  -6.042  -3.066 -28.267
  318   3HD1  ILE  47          3HD1      ILE  47  -5.872  -2.952 -26.515
  319    H    ALA  48           H        ALA  48  -3.498  -5.127 -26.383
  320    HA   ALA  48           HA       ALA  48  -0.857  -6.123 -26.213
  321   1HB   ALA  48          1HB       ALA  48  -2.780  -6.731 -28.468
  322   2HB   ALA  48          2HB       ALA  48  -2.968  -7.400 -26.847
  323   3HB   ALA  48          3HB       ALA  48  -1.535  -7.784 -27.798
  324    H    LYS  49           H        LYS  49  -0.350  -6.793 -29.003
  325    HA   LYS  49           HA       LYS  49   0.734  -4.162 -29.885
  326   1HB   LYS  49          2HB       LYS  49   1.614  -6.887 -30.788
  327   2HB   LYS  49          1HB       LYS  49   2.461  -5.366 -31.021
  328   1HG   LYS  49          2HG       LYS  49   2.124  -5.449 -28.281
  329   2HG   LYS  49          1HG       LYS  49   2.418  -7.142 -28.682
  330   1HD   LYS  49          2HD       LYS  49   4.599  -6.365 -28.441
  331   2HD   LYS  49          1HD       LYS  49   4.351  -6.139 -30.173
  332   1HE   LYS  49          2HE       LYS  49   5.316  -4.106 -29.232
  333   2HE   LYS  49          1HE       LYS  49   3.654  -3.784 -29.727
  334   1HZ   LYS  49          1HZ       LYS  49   4.799  -3.557 -27.168
  335   2HZ   LYS  49          2HZ       LYS  49   3.573  -4.732 -27.115
  336   3HZ   LYS  49          3HZ       LYS  49   3.226  -3.162 -27.662
  337    H    GLY  50           H        GLY  50  -1.970  -5.685 -30.425
  338   1HA   GLY  50          2HA       GLY  50  -2.332  -4.654 -33.075
  339   2HA   GLY  50          1HA       GLY  50  -2.149  -6.405 -33.130
  340    H    ASP  51           H        ASP  51  -3.782  -7.708 -32.146
  341    HA   ASP  51           HA       ASP  51  -6.051  -6.467 -30.818
  342   1HB   ASP  51          2HB       ASP  51  -6.101  -6.748 -33.645
  343   2HB   ASP  51          1HB       ASP  51  -7.209  -7.937 -32.964
  344    H    TRP  52           H        TRP  52  -6.010  -7.933 -29.153
  345    HA   TRP  52           HA       TRP  52  -7.058 -10.552 -29.494
  346   1HB   TRP  52          2HB       TRP  52  -4.617 -11.506 -28.625
  347   2HB   TRP  52          1HB       TRP  52  -5.221 -11.645 -30.273
  348    HD1  TRP  52           HD1      TRP  52  -3.742  -8.594 -28.421
  349    HE1  TRP  52           HE1      TRP  52  -1.802  -7.655 -29.836
  350    HE3  TRP  52           HE3      TRP  52  -3.701 -12.000 -32.221
  351    HZ2  TRP  52           HZ2      TRP  52  -0.419  -8.268 -32.264
  352    HZ3  TRP  52           HZ3      TRP  52  -2.066 -11.800 -34.071
  353    HH2  TRP  52           HH2      TRP  52  -0.427  -9.939 -34.097
  354    H    ASN  53           H        ASN  53  -5.851 -11.872 -27.329
  355    HA   ASN  53           HA       ASN  53  -7.166 -11.035 -25.090
  356   1HB   ASN  53          2HB       ASN  53  -4.513 -12.376 -25.445
  357   2HB   ASN  53          1HB       ASN  53  -5.004 -11.894 -23.820
  358   1HD2  ASN  53          1HD2      ASN  53  -6.471 -13.258 -22.749
  359   2HD2  ASN  53          2HD2      ASN  53  -7.310 -14.533 -23.490
  360    H    ASP  54           H        ASP  54  -7.325  -8.925 -24.455
  361    HA   ASP  54           HA       ASP  54  -5.165  -7.015 -24.629
  362   1HB   ASP  54          2HB       ASP  54  -6.714  -5.689 -23.044
  363   2HB   ASP  54          1HB       ASP  54  -7.354  -6.099 -24.638
  364    H    ASP  55           H        ASP  55  -4.285  -5.887 -22.652
  365    HA   ASP  55           HA       ASP  55  -3.236  -7.876 -20.787
  366   1HB   ASP  55          2HB       ASP  55  -2.864  -4.937 -20.445
  367   2HB   ASP  55          1HB       ASP  55  -1.722  -6.235 -20.126
  368    H    ARG  56           H        ARG  56  -4.619  -8.549 -19.191
  369    HA   ARG  56           HA       ARG  56  -6.366  -6.516 -17.893
  370   1HB   ARG  56          2HB       ARG  56  -6.483  -9.518 -17.848
  371   2HB   ARG  56          1HB       ARG  56  -7.623  -8.454 -17.042
  372   1HG   ARG  56          2HG       ARG  56  -7.078  -8.265 -20.006
  373   2HG   ARG  56          1HG       ARG  56  -8.318  -9.336 -19.352
  374   1HD   ARG  56          2HD       ARG  56  -8.531  -6.713 -18.157
  375   2HD   ARG  56          1HD       ARG  56  -8.577  -6.588 -19.914
  376    HE   ARG  56           HE       ARG  56 -10.299  -8.718 -19.055
  377   1HH1  ARG  56          1HH1      ARG  56 -10.457  -5.942 -20.720
  378   2HH1  ARG  56          2HH1      ARG  56 -11.938  -5.349 -20.046
  379   1HH2  ARG  56          1HH2      ARG  56 -12.009  -7.677 -17.477
  380   2HH2  ARG  56          2HH2      ARG  56 -12.816  -6.332 -18.208
  381    H    CYS  57           H        CYS  57  -6.283  -6.247 -15.621
  382    HA   CYS  57           HA       CYS  57  -3.808  -7.277 -14.357
  383   1HB   CYS  57          2HB       CYS  57  -5.770  -5.405 -13.043
  384   2HB   CYS  57          1HB       CYS  57  -4.037  -5.559 -12.764
  385    H    THR  58           H        THR  58  -3.961  -8.314 -12.245
  386    HA   THR  58           HA       THR  58  -6.214 -10.156 -12.077
  387    HB   THR  58           HB       THR  58  -5.005 -11.157 -10.240
  388    HG1  THR  58           HG1      THR  58  -3.343 -10.101  -9.241
  389   1HG2  THR  58          1HG2      THR  58  -3.157 -11.863 -11.426
  390   2HG2  THR  58          2HG2      THR  58  -2.725 -10.228 -11.928
  391   3HG2  THR  58          3HG2      THR  58  -4.049 -11.076 -12.727
  392    H    GLY  59           H        GLY  59  -6.674 -10.414  -9.369
  393   1HA   GLY  59          2HA       GLY  59  -8.159  -7.900  -8.815
  394   2HA   GLY  59          1HA       GLY  59  -8.501  -9.471  -8.089
  395    H    GLN  60           H        GLN  60  -5.186  -9.048  -8.105
  396    HA   GLN  60           HA       GLN  60  -5.149  -7.577  -5.522
  397   1HB   GLN  60          2HB       GLN  60  -3.992 -10.349  -5.954
  398   2HB   GLN  60          1HB       GLN  60  -3.701  -9.352  -4.528
  399   1HG   GLN  60          2HG       GLN  60  -6.488  -9.339  -4.862
  400   2HG   GLN  60          1HG       GLN  60  -5.999 -11.008  -5.161
  401   1HE2  GLN  60          1HE2      GLN  60  -4.824  -8.456  -2.882
  402   2HE2  GLN  60          2HE2      GLN  60  -4.922  -9.442  -1.504
  403    H    SER  61           H        SER  61  -4.112  -7.389  -8.460
  404    HA   SER  61           HA       SER  61  -1.220  -7.023  -7.798
  405   1HB   SER  61          2HB       SER  61  -1.953  -8.488  -9.780
  406   2HB   SER  61          1HB       SER  61  -2.434  -6.987 -10.566
  407    HG   SER  61           HG       SER  61  -0.411  -6.670 -10.999
  408    H    ALA  62           H        ALA  62  -0.247  -5.001  -8.159
  409    HA   ALA  62           HA       ALA  62  -2.165  -2.754  -8.606
  410   1HB   ALA  62          1HB       ALA  62   0.566  -2.757  -7.281
  411   2HB   ALA  62          2HB       ALA  62  -0.984  -2.711  -6.441
  412   3HB   ALA  62          3HB       ALA  62  -0.486  -1.353  -7.450
  413    H    ASP  63           H        ASP  63   0.418  -4.458 -10.029
  414    HA   ASP  63           HA       ASP  63   0.960  -2.173 -11.881
  415   1HB   ASP  63          2HB       ASP  63   2.793  -4.465 -11.966
  416   2HB   ASP  63          1HB       ASP  63   3.156  -2.747 -11.962
  417    H    CYS  64           H        CYS  64   1.986  -3.481 -14.037
  418    HA   CYS  64           HA       CYS  64  -0.110  -5.479 -14.766
  419   1HB   CYS  64          2HB       CYS  64  -0.761  -3.433 -15.821
  420   2HB   CYS  64          1HB       CYS  64   0.868  -3.134 -16.409
  421    HA   PRO  65           HA       PRO  65   3.797  -7.450 -15.667
  422   1HB   PRO  65          2HB       PRO  65   2.835  -9.918 -14.971
  423   2HB   PRO  65          1HB       PRO  65   3.511  -8.779 -13.805
  424   1HG   PRO  65          2HG       PRO  65   0.696  -9.601 -14.223
  425   2HG   PRO  65          1HG       PRO  65   1.443  -8.850 -12.803
  426   1HD   PRO  65          2HD       PRO  65  -0.156  -7.566 -14.800
  427   2HD   PRO  65          1HD       PRO  65   0.693  -6.789 -13.449
  428    H    ARG  66           H        ARG  66   0.526  -8.580 -16.528
  429    HA   ARG  66           HA       ARG  66   1.349 -10.265 -18.691
  430   1HB   ARG  66          2HB       ARG  66  -1.188  -9.181 -17.640
  431   2HB   ARG  66          1HB       ARG  66  -1.197  -9.546 -19.365
  432   1HG   ARG  66          2HG       ARG  66  -1.861 -11.470 -17.818
  433   2HG   ARG  66          1HG       ARG  66  -0.586 -11.825 -18.984
  434   1HD   ARG  66          2HD       ARG  66   1.103 -11.751 -17.353
  435   2HD   ARG  66          1HD       ARG  66   0.110 -10.822 -16.231
  436    HE   ARG  66           HE       ARG  66  -1.223 -13.264 -16.567
  437   1HH1  ARG  66          1HH2      ARG  66   1.680 -11.947 -15.266
  438   2HH1  ARG  66          2HH2      ARG  66   2.026 -13.330 -14.284
  439   1HH2  ARG  66          1HH1      ARG  66  -0.708 -15.143 -15.407
  440   2HH2  ARG  66          2HH1      ARG  66   0.674 -15.139 -14.362
  441    H    TYR  67           H        TYR  67   1.455  -9.831 -20.917
  442    HA   TYR  67           HA       TYR  67   1.482  -6.952 -21.636
  443   1HB   TYR  67          2HB       TYR  67   3.042  -7.653 -23.477
  444   2HB   TYR  67          1HB       TYR  67   3.691  -7.929 -21.861
  445    HD1  TYR  67           HD1      TYR  67   3.674 -10.222 -20.877
  446    HD2  TYR  67           HD2      TYR  67   2.524  -9.483 -24.949
  447    HE1  TYR  67           HE1      TYR  67   3.927 -12.634 -21.385
  448    HE2  TYR  67           HE2      TYR  67   2.778 -11.897 -25.458
  449    HH   TYR  67           HH       TYR  67   3.526 -14.243 -22.903
  450    H    HIS  68           HN       HIS  68   0.073 -10.028 -22.276
  451    HA   HIS  68           HA       HIS  68  -1.750  -8.799 -24.225
  452   1HB   HIS  68          2HB       HIS  68  -1.294 -10.310 -26.033
  453   2HB   HIS  68          1HB       HIS  68   0.263  -9.647 -25.538
  454    HD1  HIS  68           HD1      HIS  68  -0.101 -12.483 -26.915
  455    HD2  HIS  68           HD2      HIS  68   0.341 -11.825 -22.822
  456    HE1  HIS  68           HE1      HIS  68   0.778 -14.646 -25.932
  Start of MODEL   20
    1   1H    GLY   1          1HT       GLY   1  12.491  -7.876  -7.358
    2   2H    GLY   1          2HT       GLY   1  10.922  -8.088  -7.976
    3   3H    GLY   1          3HT       GLY   1  11.745  -9.396  -7.268
    4   1HA   GLY   1          1HA       GLY   1   9.942  -7.904  -5.985
    5   2HA   GLY   1          2HA       GLY   1  11.241  -8.789  -5.184
    6    H    LYS   2           H        LYS   2   9.850  -5.998  -4.841
    7    HA   LYS   2           HA       LYS   2  12.395  -4.586  -4.230
    8   1HB   LYS   2          2HB       LYS   2  10.993  -3.904  -6.464
    9   2HB   LYS   2          1HB       LYS   2  10.217  -2.867  -5.267
   10   1HG   LYS   2          2HG       LYS   2  12.888  -2.591  -4.638
   11   2HG   LYS   2          1HG       LYS   2  12.926  -2.715  -6.397
   12   1HD   LYS   2          2HD       LYS   2  11.431  -0.865  -6.654
   13   2HD   LYS   2          1HD       LYS   2  11.029  -0.866  -4.937
   14   1HE   LYS   2          2HE       LYS   2  12.580   0.879  -5.066
   15   2HE   LYS   2          1HE       LYS   2  13.600  -0.483  -4.605
   16   1HZ   LYS   2          1HZ       LYS   2  13.930   1.117  -6.796
   17   2HZ   LYS   2          2HZ       LYS   2  13.257  -0.307  -7.433
   18   3HZ   LYS   2          3HZ       LYS   2  14.689  -0.376  -6.522
   19    H    GLU   3           H        GLU   3  12.141  -2.985  -2.536
   20    HA   GLU   3           HA       GLU   3   9.694  -3.455  -0.891
   21   1HB   GLU   3          2HB       GLU   3  12.484  -3.459  -0.262
   22   2HB   GLU   3          1HB       GLU   3  11.709  -2.144   0.619
   23   1HG   GLU   3          2HG       GLU   3  10.920  -3.659   2.085
   24   2HG   GLU   3          1HG       GLU   3   9.942  -4.341   0.785
   25    H    CYS   4           H        CYS   4   9.372  -1.646  -2.930
   26    HA   CYS   4           HA       CYS   4   9.098   0.885  -1.423
   27   1HB   CYS   4          2HB       CYS   4  11.197   0.922  -2.867
   28   2HB   CYS   4          1HB       CYS   4  10.101   0.900  -4.227
   29    H    ASP   5           H        ASP   5   6.895  -0.049  -1.391
   30    HA   ASP   5           HA       ASP   5   5.220  -0.675  -3.460
   31   1HB   ASP   5          2HB       ASP   5   4.661  -0.308  -0.966
   32   2HB   ASP   5          1HB       ASP   5   4.346   1.367  -1.418
   33    H    CYS   6           H        CYS   6   6.444   2.557  -2.697
   34    HA   CYS   6           HA       CYS   6   5.532   3.421  -5.399
   35   1HB   CYS   6          2HB       CYS   6   5.163   5.134  -2.928
   36   2HB   CYS   6          1HB       CYS   6   4.639   5.508  -4.570
   37    H    SER   7           H        SER   7   7.140   4.516  -6.450
   38    HA   SER   7           HA       SER   7   9.655   4.996  -5.006
   39   1HB   SER   7          2HB       SER   7  10.481   5.653  -7.293
   40   2HB   SER   7          1HB       SER   7   9.826   4.020  -7.211
   41    HG   SER   7           HG       SER   7   8.921   5.012  -8.976
   42    H    SER   8           H        SER   8   6.990   6.701  -4.900
   43    HA   SER   8           HA       SER   8   8.201   9.335  -5.558
   44   1HB   SER   8          2HB       SER   8   5.658   9.861  -4.651
   45   2HB   SER   8          1HB       SER   8   6.093   9.617  -6.341
   46    HG   SER   8           HG       SER   8   5.500   7.491  -6.172
   47    HA   PRO   9           HA       PRO   9   9.018   9.732  -1.192
   48   1HB   PRO   9          2HB       PRO   9  10.169  12.221  -1.369
   49   2HB   PRO   9          1HB       PRO   9  11.015  10.720  -1.782
   50   1HG   PRO   9          2HG       PRO   9   9.907  12.810  -3.598
   51   2HG   PRO   9          1HG       PRO   9  11.245  11.682  -3.871
   52   1HD   PRO   9          2HD       PRO   9   8.617  11.415  -4.891
   53   2HD   PRO   9          1HD       PRO   9   9.865  10.151  -4.874
   54    H    GLU  10           H        GLU  10   7.083  11.858  -3.152
   55    HA   GLU  10           HA       GLU  10   6.061  13.267  -0.734
   56   1HB   GLU  10          2HB       GLU  10   6.605  14.124  -3.364
   57   2HB   GLU  10          1HB       GLU  10   4.847  14.110  -3.222
   58   1HG   GLU  10          2HG       GLU  10   5.132  15.360  -1.024
   59   2HG   GLU  10          1HG       GLU  10   6.828  15.569  -1.461
   60    H    ASN  11           H        ASN  11   5.400  10.509  -2.399
   61    HA   ASN  11           HA       ASN  11   2.562  10.693  -2.768
   62   1HB   ASN  11          2HB       ASN  11   4.314   8.940  -3.661
   63   2HB   ASN  11          1HB       ASN  11   3.926   8.092  -2.164
   64   1HD2  ASN  11          1HD2      ASN  11   3.182   7.596  -5.151
   65   2HD2  ASN  11          2HD2      ASN  11   1.502   7.358  -5.101
   66    HA   PRO  12           HA       PRO  12   1.609  10.387   1.588
   67   1HB   PRO  12          2HB       PRO  12  -1.116  10.580   1.261
   68   2HB   PRO  12          1HB       PRO  12  -0.027  11.978   1.229
   69   1HG   PRO  12          2HG       PRO  12  -1.403  10.617  -1.042
   70   2HG   PRO  12          1HG       PRO  12  -0.867  12.300  -0.900
   71   1HD   PRO  12          2HD       PRO  12   0.463  10.259  -2.333
   72   2HD   PRO  12          1HD       PRO  12   1.151  11.836  -1.887
   73    H    CYS  13           H        CYS  13   0.406   8.384  -0.998
   74    HA   CYS  13           HA       CYS  13  -0.761   6.371   0.806
   75   1HB   CYS  13          2HB       CYS  13  -1.301   7.057  -1.772
   76   2HB   CYS  13          1HB       CYS  13  -0.253   5.663  -1.998
   77    H    CYS  14           H        CYS  14   2.276   7.192   0.512
   78    HA   CYS  14           HA       CYS  14   3.184   4.463   0.976
   79   1HB   CYS  14          2HB       CYS  14   3.810   5.917  -1.555
   80   2HB   CYS  14          1HB       CYS  14   5.071   4.916  -0.831
   81    H    ASP  15           H        ASP  15   4.349   4.756   2.780
   82    HA   ASP  15           HA       ASP  15   5.442   7.112   3.774
   83   1HB   ASP  15          2HB       ASP  15   5.357   4.612   4.705
   84   2HB   ASP  15          1HB       ASP  15   7.028   4.642   4.161
   85    H    ALA  16           H        ALA  16   7.178   8.359   3.237
   86    HA   ALA  16           HA       ALA  16   8.841   7.479   0.971
   87   1HB   ALA  16          1HB       ALA  16   9.663   9.991   1.361
   88   2HB   ALA  16          2HB       ALA  16   8.103  10.102   2.177
   89   3HB   ALA  16          3HB       ALA  16   8.179   9.631   0.480
   90    H    ALA  17           H        ALA  17   9.101   6.705   3.974
   91    HA   ALA  17           HA       ALA  17  11.994   7.449   4.206
   92   1HB   ALA  17          1HB       ALA  17  11.780   7.687   6.499
   93   2HB   ALA  17          2HB       ALA  17  10.434   6.552   6.595
   94   3HB   ALA  17          3HB       ALA  17  10.164   8.192   6.005
   95    H    THR  18           H        THR  18   9.709   4.969   3.820
   96    HA   THR  18           HA       THR  18  11.818   2.934   4.318
   97    HB   THR  18           HB       THR  18   9.005   3.032   5.297
   98    HG1  THR  18           HG1      THR  18  10.548   3.466   6.787
   99   1HG2  THR  18          1HG2      THR  18   9.382   0.502   5.786
  100   2HG2  THR  18          2HG2      THR  18  10.513   0.588   4.436
  101   3HG2  THR  18          3HG2      THR  18   8.812   0.984   4.188
  102    H    CYS  19           H        CYS  19   9.934   4.402   2.066
  103    HA   CYS  19           HA       CYS  19   9.220   3.809  -0.085
  104   1HB   CYS  19          2HB       CYS  19  11.635   2.342   0.460
  105   2HB   CYS  19          1HB       CYS  19  10.591   1.419  -0.596
  106    H    LYS  20           H        LYS  20   7.100   3.306   0.867
  107    HA   LYS  20           HA       LYS  20   6.056   0.834  -0.023
  108   1HB   LYS  20          2HB       LYS  20   7.102   0.796   2.750
  109   2HB   LYS  20          1HB       LYS  20   5.487   0.125   2.519
  110   1HG   LYS  20          2HG       LYS  20   7.000  -0.867   0.367
  111   2HG   LYS  20          1HG       LYS  20   8.049  -1.015   1.778
  112   1HD   LYS  20          2HD       LYS  20   6.864  -2.789   2.482
  113   2HD   LYS  20          1HD       LYS  20   5.411  -1.794   2.556
  114   1HE   LYS  20          2HE       LYS  20   6.078  -2.467  -0.190
  115   2HE   LYS  20          1HE       LYS  20   5.883  -3.919   0.792
  116   1HZ   LYS  20          1HZ       LYS  20   3.932  -1.691   0.833
  117   2HZ   LYS  20          2HZ       LYS  20   3.732  -3.270   1.429
  118   3HZ   LYS  20          3HZ       LYS  20   3.803  -2.992  -0.246
  119    H    LEU  21           H        LEU  21   3.775   0.450   1.137
  120    HA   LEU  21           HA       LEU  21   2.306   2.896   0.806
  121   1HB   LEU  21          2HB       LEU  21   1.640   0.125   1.726
  122   2HB   LEU  21          1HB       LEU  21   0.472   1.416   2.011
  123    HG   LEU  21           HG       LEU  21   1.717   1.048  -0.702
  124   1HD1  LEU  21          1HD1      LEU  21   0.277  -0.959   0.532
  125   2HD1  LEU  21          2HD1      LEU  21   0.424  -0.738  -1.212
  126   3HD1  LEU  21          3HD1      LEU  21  -0.967  -0.075  -0.353
  127   1HD2  LEU  21          1HD2      LEU  21  -1.020   1.824  -0.721
  128   2HD2  LEU  21          2HD2      LEU  21   0.386   2.786  -1.173
  129   3HD2  LEU  21          3HD2      LEU  21  -0.195   2.803   0.492
  130    H    ARG  22           H        ARG  22   1.821   4.462   2.279
  131    HA   ARG  22           HA       ARG  22   2.905   4.219   4.989
  132   1HB   ARG  22          2HB       ARG  22   2.367   6.352   3.263
  133   2HB   ARG  22          1HB       ARG  22   1.183   6.526   4.560
  134   1HG   ARG  22          2HG       ARG  22   4.039   5.922   5.257
  135   2HG   ARG  22          1HG       ARG  22   3.582   7.575   4.838
  136   1HD   ARG  22          2HD       ARG  22   1.566   6.865   6.560
  137   2HD   ARG  22          1HD       ARG  22   2.943   6.005   7.249
  138    HE   ARG  22           HE       ARG  22   2.716   8.952   6.965
  139   1HH1  ARG  22          1HH1      ARG  22   3.222   7.186   9.483
  140   2HH1  ARG  22          2HH1      ARG  22   4.883   7.571   9.789
  141   1HH2  ARG  22          1HH2      ARG  22   5.401   9.003   6.672
  142   2HH2  ARG  22          2HH2      ARG  22   6.116   8.600   8.198
  143    HA   PRO  23           HA       PRO  23  -1.721   4.402   6.117
  144   1HB   PRO  23          2HB       PRO  23  -3.550   4.409   4.069
  145   2HB   PRO  23          1HB       PRO  23  -2.848   5.884   4.754
  146   1HG   PRO  23          2HG       PRO  23  -2.271   4.573   2.144
  147   2HG   PRO  23          1HG       PRO  23  -2.081   6.270   2.612
  148   1HD   PRO  23          2HD       PRO  23  -0.009   4.335   2.422
  149   2HD   PRO  23          1HD       PRO  23   0.123   5.954   3.138
  150    H    GLY  24           H        GLY  24  -3.894   2.889   5.377
  151   1HA   GLY  24          2HA       GLY  24  -2.710   0.182   5.172
  152   2HA   GLY  24          1HA       GLY  24  -4.363   0.549   5.668
  153    H    ALA  25           H        ALA  25  -3.180   2.204   2.884
  154    HA   ALA  25           HA       ALA  25  -5.241   1.247   1.187
  155   1HB   ALA  25          1HB       ALA  25  -3.921   2.266  -0.653
  156   2HB   ALA  25          2HB       ALA  25  -2.553   2.442   0.447
  157   3HB   ALA  25          3HB       ALA  25  -4.041   3.341   0.740
  158    H    GLN  26           H        GLN  26  -4.696   0.095  -0.986
  159    HA   GLN  26           HA       GLN  26  -3.210  -2.379  -0.289
  160   1HB   GLN  26          2HB       GLN  26  -5.548  -1.737  -1.891
  161   2HB   GLN  26          1HB       GLN  26  -4.409  -2.756  -2.770
  162   1HG   GLN  26          2HG       GLN  26  -5.840  -4.250  -1.566
  163   2HG   GLN  26          1HG       GLN  26  -4.311  -4.210  -0.685
  164   1HE2  GLN  26          1HE2      GLN  26  -5.218  -4.633   1.419
  165   2HE2  GLN  26          2HE2      GLN  26  -6.245  -3.532   2.204
  166    H    CYS  27           H        CYS  27  -3.005   0.427  -2.244
  167    HA   CYS  27           HA       CYS  27  -0.355  -0.233  -3.136
  168   1HB   CYS  27          2HB       CYS  27  -1.324  -1.584  -4.800
  169   2HB   CYS  27          1HB       CYS  27  -2.636  -0.450  -5.063
  170    H    GLY  28           H        GLY  28   0.556   1.734  -2.834
  171   1HA   GLY  28          2HA       GLY  28  -1.062   4.167  -3.115
  172   2HA   GLY  28          1HA       GLY  28   0.600   4.090  -2.540
  173    H    GLU  29           H        GLU  29   0.539   2.294  -5.310
  174    HA   GLU  29           HA       GLU  29   0.432   4.264  -7.368
  175   1HB   GLU  29          2HB       GLU  29   2.391   5.129  -6.013
  176   2HB   GLU  29          1HB       GLU  29   3.254   3.656  -6.460
  177   1HG   GLU  29          2HG       GLU  29   2.284   4.513  -8.887
  178   2HG   GLU  29          1HG       GLU  29   2.649   6.036  -8.075
  179    H    GLY  30           H        GLY  30   0.019   2.986  -9.090
  180   1HA   GLY  30          2HA       GLY  30   1.804   0.963 -10.015
  181   2HA   GLY  30          1HA       GLY  30   0.448   0.194  -9.191
  182    H    LEU  31           H        LEU  31   0.611  -0.387 -11.818
  183    HA   LEU  31           HA       LEU  31  -0.770   1.532 -13.499
  184   1HB   LEU  31          2HB       LEU  31   0.505  -1.019 -13.829
  185   2HB   LEU  31          1HB       LEU  31  -1.055  -1.020 -14.635
  186    HG   LEU  31           HG       LEU  31   1.174   0.998 -15.003
  187   1HD1  LEU  31          1HD1      LEU  31   1.829  -0.552 -16.523
  188   2HD1  LEU  31          2HD1      LEU  31   0.438  -0.016 -17.465
  189   3HD1  LEU  31          3HD1      LEU  31   0.302  -1.425 -16.416
  190   1HD2  LEU  31          1HD2      LEU  31  -0.842   1.346 -16.943
  191   2HD2  LEU  31          2HD2      LEU  31  -0.449   2.442 -15.617
  192   3HD2  LEU  31          3HD2      LEU  31  -1.690   1.206 -15.402
  193    H    CYS  32           H        CYS  32  -1.718  -1.272 -11.583
  194    HA   CYS  32           HA       CYS  32  -4.562  -0.738 -12.336
  195   1HB   CYS  32          2HB       CYS  32  -3.690  -3.255 -10.953
  196   2HB   CYS  32          1HB       CYS  32  -5.039  -3.002 -12.060
  197    H    CYS  33           H        CYS  33  -3.633   1.012 -10.504
  198    HA   CYS  33           HA       CYS  33  -4.637  -0.081  -7.906
  199   1HB   CYS  33          2HB       CYS  33  -2.596   2.121  -8.342
  200   2HB   CYS  33          1HB       CYS  33  -3.169   1.543  -6.779
  201    H    GLU  34           H        GLU  34  -6.671   0.707  -7.646
  202    HA   GLU  34           HA       GLU  34  -7.550   3.210  -8.841
  203   1HB   GLU  34          2HB       GLU  34  -9.161   2.169  -6.621
  204   2HB   GLU  34          1HB       GLU  34  -9.647   2.564  -8.265
  205   1HG   GLU  34          2HG       GLU  34  -8.247   0.398  -8.856
  206   2HG   GLU  34          1HG       GLU  34  -8.584  -0.014  -7.175
  207    H    GLN  35           H        GLN  35  -9.057   4.190  -6.549
  208    HA   GLN  35           HA       GLN  35  -7.185   6.034  -5.495
  209   1HB   GLN  35          2HB       GLN  35  -9.969   5.228  -4.858
  210   2HB   GLN  35          1HB       GLN  35  -9.082   6.019  -3.555
  211   1HG   GLN  35          2HG       GLN  35  -8.395   7.703  -5.477
  212   2HG   GLN  35          1HG       GLN  35  -9.867   7.096  -6.238
  213   1HE2  GLN  35          1HE2      GLN  35  -9.265   9.801  -4.936
  214   2HE2  GLN  35          2HE2      GLN  35 -10.500  10.001  -3.790
  215    H    CYS  36           H        CYS  36  -5.359   4.850  -4.758
  216    HA   CYS  36           HA       CYS  36  -4.092   3.546  -3.268
  217   1HB   CYS  36          2HB       CYS  36  -6.088   4.993  -1.532
  218   2HB   CYS  36          1HB       CYS  36  -4.877   3.922  -0.832
  219    H    LYS  37           H        LYS  37  -5.985   1.979  -4.615
  220    HA   LYS  37           HA       LYS  37  -6.408  -0.133  -2.597
  221   1HB   LYS  37          2HB       LYS  37  -8.578   1.502  -3.703
  222   2HB   LYS  37          1HB       LYS  37  -8.821  -0.227  -3.953
  223   1HG   LYS  37          2HG       LYS  37  -9.344  -0.515  -1.784
  224   2HG   LYS  37          1HG       LYS  37  -7.827   0.233  -1.285
  225   1HD   LYS  37          2HD       LYS  37  -9.466   2.338  -2.220
  226   2HD   LYS  37          1HD       LYS  37 -10.491   1.332  -1.194
  227   1HE   LYS  37          2HE       LYS  37  -8.880   1.472   0.629
  228   2HE   LYS  37          1HE       LYS  37  -7.757   2.369  -0.394
  229   1HZ   LYS  37          1HZ       LYS  37  -9.138   4.219  -0.424
  230   2HZ   LYS  37          2HZ       LYS  37  -9.243   3.682   1.185
  231   3HZ   LYS  37          3HZ       LYS  37 -10.500   3.349   0.091
  232    H    PHE  38           H        PHE  38  -6.796  -2.232  -3.622
  233    HA   PHE  38           HA       PHE  38  -5.371  -2.505  -6.126
  234   1HB   PHE  38          2HB       PHE  38  -6.865  -4.403  -4.327
  235   2HB   PHE  38          1HB       PHE  38  -6.325  -4.929  -5.920
  236    HD1  PHE  38           HD1      PHE  38  -5.421  -5.539  -2.838
  237    HD2  PHE  38           HD2      PHE  38  -3.777  -3.415  -6.192
  238    HE1  PHE  38           HE1      PHE  38  -3.135  -5.898  -1.948
  239    HE2  PHE  38           HE2      PHE  38  -1.494  -3.774  -5.300
  240    HZ   PHE  38           HZ       PHE  38  -1.172  -5.016  -3.178
  241    H    SER  39           H        SER  39  -6.206  -2.408  -8.154
  242    HA   SER  39           HA       SER  39  -8.986  -1.794  -8.599
  243   1HB   SER  39          2HB       SER  39  -8.355  -2.249 -11.036
  244   2HB   SER  39          1HB       SER  39  -7.418  -0.998 -10.224
  245    HG   SER  39           HG       SER  39  -6.710  -3.678 -10.791
  246    H    ARG  40           H        ARG  40 -10.351  -3.236 -10.125
  247    HA   ARG  40           HA       ARG  40 -10.379  -5.925  -8.986
  248   1HB   ARG  40          2HB       ARG  40 -12.233  -5.134 -11.162
  249   2HB   ARG  40          1HB       ARG  40 -12.555  -6.086  -9.720
  250   1HG   ARG  40          2HG       ARG  40 -12.159  -3.924  -8.396
  251   2HG   ARG  40          1HG       ARG  40 -12.272  -3.087  -9.944
  252   1HD   ARG  40          2HD       ARG  40 -14.521  -3.458 -10.134
  253   2HD   ARG  40          1HD       ARG  40 -14.422  -5.052  -9.385
  254    HE   ARG  40           HE       ARG  40 -14.314  -2.522  -7.789
  255   1HH1  ARG  40          1HH1      ARG  40 -17.013  -3.647  -8.030
  256   2HH1  ARG  40          2HH1      ARG  40 -17.115  -4.730  -6.682
  257   1HH2  ARG  40          1HH2      ARG  40 -13.685  -4.845  -6.179
  258   2HH2  ARG  40          2HH2      ARG  40 -15.228  -5.409  -5.634
  259    H    ALA  41           H        ALA  41 -10.093  -7.847 -10.201
  260    HA   ALA  41           HA       ALA  41  -8.120  -7.923 -12.166
  261   1HB   ALA  41          1HB       ALA  41  -8.671 -10.169 -12.481
  262   2HB   ALA  41          2HB       ALA  41 -10.402  -9.866 -12.342
  263   3HB   ALA  41          3HB       ALA  41  -9.387  -9.858 -10.900
  264    H    GLY  42           H        GLY  42  -8.529  -8.682 -14.533
  265   1HA   GLY  42          2HA       GLY  42  -9.442  -8.215 -16.647
  266   2HA   GLY  42          1HA       GLY  42 -10.928  -7.753 -15.827
  267    H    LYS  43           H        LYS  43  -7.979  -6.243 -14.782
  268    HA   LYS  43           HA       LYS  43  -9.027  -3.658 -15.713
  269   1HB   LYS  43          2HB       LYS  43  -8.227  -3.511 -13.512
  270   2HB   LYS  43          1HB       LYS  43  -6.809  -4.493 -13.866
  271   1HG   LYS  43          2HG       LYS  43  -6.200  -2.107 -13.617
  272   2HG   LYS  43          1HG       LYS  43  -5.886  -2.678 -15.254
  273   1HD   LYS  43          2HD       LYS  43  -7.025  -0.744 -15.769
  274   2HD   LYS  43          1HD       LYS  43  -8.398  -1.842 -15.623
  275   1HE   LYS  43          2HE       LYS  43  -8.636  -1.176 -13.235
  276   2HE   LYS  43          1HE       LYS  43  -7.327  -0.013 -13.456
  277   1HZ   LYS  43          1HZ       LYS  43  -8.677   0.973 -15.279
  278   2HZ   LYS  43          2HZ       LYS  43  -9.373   1.132 -13.737
  279   3HZ   LYS  43          3HZ       LYS  43  -9.961  -0.036 -14.821
  280    H    ILE  44           H        ILE  44  -8.363  -2.707 -17.589
  281    HA   ILE  44           HA       ILE  44  -6.217  -3.923 -19.153
  282    HB   ILE  44           HB       ILE  44  -8.073  -3.039 -20.383
  283   1HG1  ILE  44          2HG1      ILE  44  -6.985  -1.445 -21.869
  284   2HG1  ILE  44          1HG1      ILE  44  -5.816  -1.024 -20.616
  285   1HG2  ILE  44          1HG2      ILE  44  -7.939  -0.996 -18.352
  286   2HG2  ILE  44          2HG2      ILE  44  -9.250  -1.353 -19.477
  287   3HG2  ILE  44          3HG2      ILE  44  -7.959  -0.250 -19.951
  288   1HD1  ILE  44          1HD1      ILE  44  -6.073  -3.898 -21.413
  289   2HD1  ILE  44          2HD1      ILE  44  -4.659  -3.022 -20.829
  290   3HD1  ILE  44          3HD1      ILE  44  -5.207  -2.804 -22.491
  291    H    CYS  45           H        CYS  45  -4.364  -3.645 -17.918
  292    HA   CYS  45           HA       CYS  45  -3.515  -1.025 -16.936
  293   1HB   CYS  45          2HB       CYS  45  -1.341  -2.302 -16.508
  294   2HB   CYS  45          1HB       CYS  45  -2.767  -2.875 -15.665
  295    H    ARG  46           H        ARG  46  -2.967  -2.960 -19.821
  296    HA   ARG  46           HA       ARG  46  -1.478  -0.654 -20.948
  297   1HB   ARG  46          2HB       ARG  46   0.232  -2.220 -20.063
  298   2HB   ARG  46          1HB       ARG  46  -0.446  -3.502 -21.067
  299   1HG   ARG  46          2HG       ARG  46   0.510  -2.690 -22.962
  300   2HG   ARG  46          1HG       ARG  46   0.151  -1.017 -22.534
  301   1HD   ARG  46          2HD       ARG  46   2.030  -1.650 -20.651
  302   2HD   ARG  46          1HD       ARG  46   2.586  -2.609 -22.023
  303    HE   ARG  46           HE       ARG  46   1.945   0.200 -22.631
  304   1HH1  ARG  46          1HH1      ARG  46   4.246   0.001 -20.642
  305   2HH1  ARG  46          2HH1      ARG  46   5.609  -0.046 -21.710
  306   1HH2  ARG  46          1HH2      ARG  46   3.721  -0.803 -24.517
  307   2HH2  ARG  46          2HH2      ARG  46   5.312  -0.501 -23.902
  308    H    ILE  47           H        ILE  47  -1.818  -0.382 -23.145
  309    HA   ILE  47           HA       ILE  47  -3.964  -2.001 -24.331
  310    HB   ILE  47           HB       ILE  47  -3.988   0.430 -24.661
  311   1HG1  ILE  47          2HG1      ILE  47  -4.011   0.429 -27.201
  312   2HG1  ILE  47          1HG1      ILE  47  -3.397  -1.222 -27.132
  313   1HG2  ILE  47          1HG2      ILE  47  -1.678   1.011 -24.551
  314   2HG2  ILE  47          2HG2      ILE  47  -2.173   1.373 -26.203
  315   3HG2  ILE  47          3HG2      ILE  47  -1.262  -0.096 -25.859
  316   1HD1  ILE  47          1HD1      ILE  47  -5.997  -0.789 -27.258
  317   2HD1  ILE  47          2HD1      ILE  47  -5.827  -0.506 -25.526
  318   3HD1  ILE  47          3HD1      ILE  47  -5.363  -2.062 -26.215
  319    H    ALA  48           H        ALA  48  -3.697  -3.325 -26.174
  320    HA   ALA  48           HA       ALA  48  -0.943  -4.263 -26.583
  321   1HB   ALA  48          1HB       ALA  48  -3.637  -5.382 -27.375
  322   2HB   ALA  48          2HB       ALA  48  -2.535  -6.003 -26.150
  323   3HB   ALA  48          3HB       ALA  48  -2.107  -6.120 -27.855
  324    H    LYS  49           H        LYS  49  -0.730  -5.084 -29.096
  325    HA   LYS  49           HA       LYS  49  -0.497  -2.677 -30.659
  326   1HB   LYS  49          2HB       LYS  49  -0.260  -5.535 -31.498
  327   2HB   LYS  49          1HB       LYS  49   0.312  -4.158 -32.427
  328   1HG   LYS  49          2HG       LYS  49   1.343  -3.953 -29.761
  329   2HG   LYS  49          1HG       LYS  49   1.683  -5.576 -30.364
  330   1HD   LYS  49          2HD       LYS  49   2.177  -3.238 -32.174
  331   2HD   LYS  49          1HD       LYS  49   3.339  -3.578 -30.891
  332   1HE   LYS  49          2HE       LYS  49   4.228  -4.948 -32.507
  333   2HE   LYS  49          1HE       LYS  49   3.042  -6.072 -31.845
  334   1HZ   LYS  49          1HZ       LYS  49   1.805  -4.408 -33.752
  335   2HZ   LYS  49          2HZ       LYS  49   1.992  -6.097 -33.776
  336   3HZ   LYS  49          3HZ       LYS  49   3.193  -5.098 -34.442
  337    H    GLY  50           H        GLY  50  -1.951  -5.520 -32.105
  338   1HA   GLY  50          2HA       GLY  50  -4.519  -4.187 -32.389
  339   2HA   GLY  50          1HA       GLY  50  -3.635  -4.416 -33.894
  340    H    ASP  51           H        ASP  51  -5.838  -5.827 -31.783
  341    HA   ASP  51           HA       ASP  51  -6.996  -7.869 -32.030
  342   1HB   ASP  51          2HB       ASP  51  -5.534  -7.724 -34.412
  343   2HB   ASP  51          1HB       ASP  51  -5.157  -9.299 -33.713
  344    H    TRP  52           H        TRP  52  -6.686  -8.742 -30.056
  345    HA   TRP  52           HA       TRP  52  -5.247 -11.053 -29.578
  346   1HB   TRP  52          2HB       TRP  52  -3.414  -9.853 -28.002
  347   2HB   TRP  52          1HB       TRP  52  -3.090 -10.300 -29.668
  348    HD1  TRP  52           HD1      TRP  52  -1.463  -8.413 -30.232
  349    HE1  TRP  52           HE1      TRP  52  -1.683  -5.879 -30.480
  350    HE3  TRP  52           HE3      TRP  52  -6.084  -7.662 -28.179
  351    HZ2  TRP  52           HZ2      TRP  52  -3.563  -3.796 -29.897
  352    HZ3  TRP  52           HZ3      TRP  52  -7.052  -5.402 -28.058
  353    HH2  TRP  52           HH2      TRP  52  -5.771  -3.468 -28.929
  354    H    ASN  53           H        ASN  53  -4.428 -10.778 -26.888
  355    HA   ASN  53           HA       ASN  53  -7.038 -10.121 -25.622
  356   1HB   ASN  53          2HB       ASN  53  -4.882 -12.067 -25.104
  357   2HB   ASN  53          1HB       ASN  53  -5.467 -11.249 -23.654
  358   1HD2  ASN  53          1HD2      ASN  53  -6.453 -13.373 -23.016
  359   2HD2  ASN  53          2HD2      ASN  53  -7.923 -13.853 -23.718
  360    H    ASP  54           H        ASP  54  -7.150  -8.147 -24.631
  361    HA   ASP  54           HA       ASP  54  -4.948  -6.370 -24.386
  362   1HB   ASP  54          2HB       ASP  54  -6.521  -5.264 -22.602
  363   2HB   ASP  54          1HB       ASP  54  -7.033  -5.308 -24.288
  364    H    ASP  55           H        ASP  55  -3.933  -5.582 -22.391
  365    HA   ASP  55           HA       ASP  55  -3.119  -7.804 -20.680
  366   1HB   ASP  55          2HB       ASP  55  -2.024  -5.321 -21.462
  367   2HB   ASP  55          1HB       ASP  55  -2.241  -5.243 -19.718
  368    H    ARG  56           H        ARG  56  -4.692  -8.424 -19.256
  369    HA   ARG  56           HA       ARG  56  -6.214  -6.351 -17.780
  370   1HB   ARG  56          2HB       ARG  56  -6.589  -9.315 -17.628
  371   2HB   ARG  56          1HB       ARG  56  -7.743  -8.057 -17.220
  372   1HG   ARG  56          2HG       ARG  56  -6.757  -7.867 -19.975
  373   2HG   ARG  56          1HG       ARG  56  -7.619  -9.369 -19.649
  374   1HD   ARG  56          2HD       ARG  56  -9.328  -7.704 -18.458
  375   2HD   ARG  56          1HD       ARG  56  -8.620  -6.556 -19.596
  376    HE   ARG  56           HE       ARG  56  -9.371  -9.019 -20.919
  377   1HH1  ARG  56          1HH1      ARG  56 -10.285  -5.844 -19.957
  378   2HH1  ARG  56          2HH1      ARG  56 -11.768  -5.856 -20.849
  379   1HH2  ARG  56          1HH2      ARG  56 -11.405  -9.128 -21.935
  380   2HH2  ARG  56          2HH2      ARG  56 -12.402  -7.712 -21.967
  381    H    CYS  57           H        CYS  57  -6.145  -6.213 -15.496
  382    HA   CYS  57           HA       CYS  57  -3.730  -7.416 -14.274
  383   1HB   CYS  57          2HB       CYS  57  -5.681  -5.567 -12.900
  384   2HB   CYS  57          1HB       CYS  57  -3.987  -5.849 -12.514
  385    H    THR  58           H        THR  58  -3.974  -8.463 -12.131
  386    HA   THR  58           HA       THR  58  -6.241 -10.304 -12.116
  387    HB   THR  58           HB       THR  58  -5.090 -11.446 -10.396
  388    HG1  THR  58           HG1      THR  58  -3.221 -10.115  -9.445
  389   1HG2  THR  58          1HG2      THR  58  -2.555 -10.402 -11.327
  390   2HG2  THR  58          2HG2      THR  58  -3.686 -10.576 -12.669
  391   3HG2  THR  58          3HG2      THR  58  -3.299 -11.966 -11.655
  392    H    GLY  59           H        GLY  59  -6.821 -10.574  -9.408
  393   1HA   GLY  59          2HA       GLY  59  -8.346  -8.075  -8.945
  394   2HA   GLY  59          1HA       GLY  59  -8.666  -9.627  -8.177
  395    H    GLN  60           H        GLN  60  -5.388  -9.246  -8.052
  396    HA   GLN  60           HA       GLN  60  -5.412  -7.570  -5.598
  397   1HB   GLN  60          2HB       GLN  60  -4.235 -10.365  -5.701
  398   2HB   GLN  60          1HB       GLN  60  -4.192  -9.267  -4.321
  399   1HG   GLN  60          2HG       GLN  60  -6.863  -9.290  -4.860
  400   2HG   GLN  60          1HG       GLN  60  -6.419 -10.928  -5.337
  401   1HE2  GLN  60          1HE2      GLN  60  -4.146 -10.971  -3.335
  402   2HE2  GLN  60          2HE2      GLN  60  -4.894 -11.187  -1.827
  403    H    SER  61           H        SER  61  -4.258  -7.525  -8.448
  404    HA   SER  61           HA       SER  61  -1.373  -7.301  -7.694
  405   1HB   SER  61          2HB       SER  61  -1.772  -8.827  -9.565
  406   2HB   SER  61          1HB       SER  61  -2.677  -7.580 -10.420
  407    HG   SER  61           HG       SER  61  -0.214  -7.990 -10.737
  408    H    ALA  62           H        ALA  62  -0.388  -5.303  -7.833
  409    HA   ALA  62           HA       ALA  62  -2.141  -3.018  -8.596
  410   1HB   ALA  62          1HB       ALA  62   0.023  -3.434  -6.622
  411   2HB   ALA  62          2HB       ALA  62  -1.378  -2.365  -6.550
  412   3HB   ALA  62          3HB       ALA  62   0.056  -1.878  -7.453
  413    H    ASP  63           H        ASP  63   0.610  -4.795  -9.652
  414    HA   ASP  63           HA       ASP  63   1.416  -2.557 -11.453
  415   1HB   ASP  63          2HB       ASP  63   2.921  -5.107 -10.963
  416   2HB   ASP  63          1HB       ASP  63   3.524  -3.636 -11.712
  417    H    CYS  64           H        CYS  64   2.354  -3.622 -13.639
  418    HA   CYS  64           HA       CYS  64   0.448  -5.722 -14.551
  419   1HB   CYS  64          2HB       CYS  64  -0.550  -3.598 -15.195
  420   2HB   CYS  64          1HB       CYS  64   0.968  -3.076 -15.922
  421    HA   PRO  65           HA       PRO  65   4.157  -7.217 -16.390
  422   1HB   PRO  65          2HB       PRO  65   2.962  -9.421 -17.486
  423   2HB   PRO  65          1HB       PRO  65   3.418  -9.320 -15.785
  424   1HG   PRO  65          2HG       PRO  65   0.724  -9.213 -17.035
  425   2HG   PRO  65          1HG       PRO  65   1.176  -9.659 -15.381
  426   1HD   PRO  65          2HD       PRO  65   0.089  -7.174 -16.222
  427   2HD   PRO  65          1HD       PRO  65   0.773  -7.548 -14.626
  428    H    ARG  66           H        ARG  66   5.018  -7.198 -18.538
  429    HA   ARG  66           HA       ARG  66   3.328  -5.900 -20.543
  430   1HB   ARG  66          2HB       ARG  66   6.211  -6.782 -20.805
  431   2HB   ARG  66          1HB       ARG  66   5.363  -5.610 -21.813
  432   1HG   ARG  66          2HG       ARG  66   6.010  -3.986 -20.396
  433   2HG   ARG  66          1HG       ARG  66   5.035  -4.745 -19.136
  434   1HD   ARG  66          2HD       ARG  66   6.905  -6.150 -18.467
  435   2HD   ARG  66          1HD       ARG  66   7.883  -5.541 -19.803
  436    HE   ARG  66           HE       ARG  66   7.707  -3.272 -18.643
  437   1HH1  ARG  66          1HH2      ARG  66   8.761  -6.048 -17.203
  438   2HH1  ARG  66          2HH2      ARG  66   8.562  -5.517 -15.566
  439   1HH2  ARG  66          1HH1      ARG  66   6.798  -2.657 -16.427
  440   2HH2  ARG  66          2HH1      ARG  66   7.450  -3.597 -15.127
  441    H    TYR  67           H        TYR  67   2.284  -7.004 -22.138
  442    HA   TYR  67           HA       TYR  67   3.031  -9.835 -22.567
  443   1HB   TYR  67          2HB       TYR  67   0.638  -9.066 -21.845
  444   2HB   TYR  67          1HB       TYR  67   0.483  -8.652 -23.548
  445    HD1  TYR  67           HD1      TYR  67   0.210 -10.324 -25.224
  446    HD2  TYR  67           HD2      TYR  67   1.233 -11.433 -21.203
  447    HE1  TYR  67           HE1      TYR  67  -0.195 -12.707 -25.779
  448    HE2  TYR  67           HE2      TYR  67   0.827 -13.815 -21.756
  449    HH   TYR  67           HH       TYR  67  -0.436 -15.134 -23.392
  450    H    HIS  68           HN       HIS  68   2.512  -6.758 -24.170
  451    HA   HIS  68           HA       HIS  68   3.690  -7.958 -26.638
  452   1HB   HIS  68          2HB       HIS  68   1.037  -7.161 -26.431
  453   2HB   HIS  68          1HB       HIS  68   1.825  -5.763 -27.163
  454    HD1  HIS  68           HD1      HIS  68  -0.096  -7.995 -28.583
  455    HD2  HIS  68           HD2      HIS  68   4.037  -7.606 -28.958
  456    HE1  HIS  68           HE1      HIS  68   0.533  -9.110 -30.768