*HEADER    HYDROLASE                               16-APR-07   2PJF              
*TITLE     SOLUTION STRUCTURE OF RHODOSTOMIN                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RHODOSTOXIN-DISINTEGRIN RHODOSTOMIN;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-68;                                             
*COMPND   5 EC: 3.4.24.-;                                                        
*COMPND   6 ENGINEERED: 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: X33;                                       
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PPICZAA                                   
*KEYWDS    DISINTEGRIN, RHODOSTOMIN                                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    W.-J.CHUANG, Y.-C.CHEN, C.-Y.CHEN, Y.-T.CHANG                         
*REVDAT   1   08-MAY-07 2PJF    0                                                


!sequencial NOE (NHi-NHi+1,CAi-HN+1)

assign ( resid 2 and name hn ) ( resid 3 and name hn ) 4.20 1.80 1.80
assign ( resid 3 and name hn ) ( resid 4 and name hn ) 3.20 1.40 1.80
assign ( resid 4 and name hn ) ( resid 5 and name hn ) 3.20 1.40 1.80
assign ( resid 5 and name hn ) ( resid 6 and name hn ) 3.20 1.40 1.80
assign ( resid 6 and name hn ) ( resid 7 and name hn ) 4.20 1.80 1.80
assign ( resid 7 and name hn ) ( resid 8 and name hn ) 3.20 1.40 1.80
assign ( resid 10 and name hn ) ( resid 11 and name hn ) 2.60 0.80 0.80
assign ( resid 13 and name hn ) ( resid 14 and name hn ) 2.60 0.80 0.80
assign ( resid 14 and name hn ) ( resid 15 and name hn ) 4.20 1.80 1.80
assign ( resid 15 and name hn ) ( resid 16 and name hn ) 3.20 1.40 1.80
assign ( resid 16 and name hn ) ( resid 17 and name hn ) 3.20 1.40 1.80
assign ( resid 17 and name hn ) ( resid 18 and name hn ) 2.60 0.80 0.80
assign ( resid 18 and name hn ) ( resid 19 and name hn ) 2.60 0.80 0.80
assign ( resid 19 and name hn ) ( resid 20 and name hn ) 3.20 1.40 1.80
assign ( resid 20 and name hn ) ( resid 21 and name hn ) 4.20 1.80 1.80
assign ( resid 21 and name hn ) ( resid 22 and name hn ) 4.20 1.80 1.80
assign ( resid 24 and name hn ) ( resid 25 and name hn ) 3.20 1.40 1.80
assign ( resid 25 and name hn ) ( resid 26 and name hn ) 3.20 1.40 1.80
assign ( resid 26 and name hn ) ( resid 27 and name hn ) 2.60 0.80 0.80
assign ( resid 27 and name hn ) ( resid 28 and name hn ) 4.20 1.80 1.80
assign ( resid 28 and name hn ) ( resid 29 and name hn ) 2.60 0.80 0.80
assign ( resid 29 and name hn ) ( resid 30 and name hn ) 4.20 1.80 1.80
assign ( resid 30 and name hn ) ( resid 31 and name hn ) 4.20 1.80 1.80
assign ( resid 31 and name hn ) ( resid 32 and name hn ) 3.20 1.40 1.80
assign ( resid 32 and name hn ) ( resid 33 and name hn ) 3.20 1.40 1.80
assign ( resid 33 and name hn ) ( resid 34 and name hn ) 4.20 1.80 1.80
assign ( resid 34 and name hn ) ( resid 35 and name hn ) 4.20 1.80 1.80
assign ( resid 35 and name hn ) ( resid 36 and name hn ) 3.20 1.40 1.80
assign ( resid 36 and name hn ) ( resid 37 and name hn ) 3.20 1.40 1.80
assign ( resid 37 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
assign ( resid 38 and name hn ) ( resid 39 and name hn ) 4.20 1.80 1.80
assign ( resid 39 and name hn ) ( resid 40 and name hn ) 4.20 1.80 1.80
assign ( resid 42 and name hn ) ( resid 43 and name hn ) 3.20 1.40 1.80
assign ( resid 43 and name hn ) ( resid 44 and name hn ) 4.20 1.80 1.80
assign ( resid 44 and name hn ) ( resid 45 and name hn ) 4.20 1.80 1.80
assign ( resid 45 and name hn ) ( resid 46 and name hn ) 3.20 1.40 1.80
assign ( resid 46 and name hn ) ( resid 47 and name hn ) 3.20 1.40 1.80
assign ( resid 50 and name hn ) ( resid 51 and name hn ) 4.20 1.80 1.80
assign ( resid 54 and name hn ) ( resid 55 and name hn ) 3.20 1.40 1.80
assign ( resid 56 and name hn ) ( resid 57 and name hn ) 4.20 1.80 1.80
assign ( resid 57 and name hn ) ( resid 58 and name hn ) 4.20 1.80 1.80
assign ( resid 58 and name hn ) ( resid 59 and name hn ) 3.20 1.40 1.80
assign ( resid 59 and name hn ) ( resid 60 and name hn ) 3.20 1.40 1.80
assign ( resid 60 and name hn ) ( resid 61 and name hn ) 2.60 0.80 0.80
assign ( resid 61 and name hn ) ( resid 62 and name hn ) 4.20 1.80 1.80
assign ( resid 62 and name hn ) ( resid 63 and name hn ) 3.20 1.40 1.80
assign ( resid 63 and name hn ) ( resid 64 and name hn ) 4.20 1.80 1.80
assign ( resid 66 and name hn ) ( resid 67 and name hn ) 3.20 1.40 1.80
assign ( resid 67 and name hn ) ( resid 68 and name hn ) 3.20 1.40 1.80

assign ( resid 4 and name hn ) ( resid 3 and name ha ) 2.60 0.80 0.80
assign ( resid 5 and name hn ) ( resid 4 and name ha ) 2.60 0.80 0.80
assign ( resid 7 and name hn ) ( resid 6 and name ha ) 3.20 1.40 1.80
assign ( resid 8 and name hn ) ( resid 7 and name ha ) 3.20 1.40 1.80
assign ( resid 10 and name hn ) ( resid 9 and name ha ) 3.20 1.40 1.80
assign ( resid 11 and name hn ) ( resid 10 and name ha ) 3.20 1.40 1.80 
assign ( resid 13 and name hn ) ( resid 12 and name ha ) 3.20 1.40 1.80
assign ( resid 14 and name hn ) ( resid 13 and name ha ) 3.20 1.40 1.80
assign ( resid 15 and name hn ) ( resid 14 and name ha ) 2.60 0.80 0.80
assign ( resid 16 and name hn ) ( resid 15 and name ha ) 2.60 0.80 0.80
assign ( resid 17 and name hn ) ( resid 16 and name ha ) 3.20 1.40 1.80
assign ( resid 20 and name hn ) ( resid 19 and name ha ) 3.20 1.40 1.80
assign ( resid 21 and name hn ) ( resid 20 and name ha ) 2.60 0.80 0.80
assign ( resid 22 and name hn ) ( resid 21 and name ha ) 2.60 0.80 0.80
assign ( resid 24 and name hn ) ( resid 23 and name ha ) 2.60 0.80 0.80
assign ( resid 26 and name hn ) ( resid 25 and name ha ) 2.60 0.80 0.80
assign ( resid 27 and name hn ) ( resid 26 and name ha ) 3.20 1.40 1.80
assign ( resid 28 and name hn ) ( resid 27 and name ha ) 2.60 0.80 0.80
assign ( resid 30 and name hn ) ( resid 29 and name ha ) 2.60 0.80 0.80
assign ( resid 32 and name hn ) ( resid 31 and name ha ) 3.20 1.40 1.80
assign ( resid 33 and name hn ) ( resid 32 and name ha ) 3.20 1.40 1.80
assign ( resid 34 and name hn ) ( resid 33 and name ha ) 2.60 0.80 0.80
assign ( resid 35 and name hn ) ( resid 34 and name ha ) 2.60 0.80 0.80
assign ( resid 36 and name hn ) ( resid 35 and name ha ) 3.20 1.40 1.80
assign ( resid 37 and name hn ) ( resid 36 and name ha ) 3.20 1.40 1.80
assign ( resid 38 and name hn ) ( resid 37 and name ha ) 2.60 0.80 0.80
assign ( resid 39 and name hn ) ( resid 38 and name ha ) 2.60 0.80 0.80
assign ( resid 40 and name hn ) ( resid 39 and name ha ) 2.60 0.80 0.80
assign ( resid 41 and name hn ) ( resid 40 and name ha ) 2.60 0.80 0.80
assign ( resid 42 and name hn ) ( resid 41 and name ha ) 2.60 0.80 0.80
assign ( resid 44 and name hn ) ( resid 43 and name ha ) 3.20 1.40 1.80
assign ( resid 45 and name hn ) ( resid 44 and name ha ) 2.60 0.80 0.80
assign ( resid 46 and name hn ) ( resid 45 and name ha ) 3.20 1.40 1.80
assign ( resid 47 and name hn ) ( resid 46 and name ha ) 3.20 1.40 1.80
assign ( resid 50 and name hn ) ( resid 49 and name ha ) 2.60 0.80 0.80
assign ( resid 52 and name hn ) ( resid 51 and name ha ) 2.60 0.80 0.80
assign ( resid 54 and name hn ) ( resid 53 and name ha ) 2.60 0.80 0.80
assign ( resid 55 and name hn ) ( resid 54 and name ha ) 2.60 0.80 0.80
assign ( resid 56 and name hn ) ( resid 55 and name ha ) 2.60 0.80 0.80
assign ( resid 57 and name hn ) ( resid 56 and name ha ) 2.60 0.80 0.80
assign ( resid 58 and name hn ) ( resid 57 and name ha ) 2.60 0.80 0.80
assign ( resid 61 and name hn ) ( resid 60 and name ha ) 3.20 1.40 1.80
assign ( resid 62 and name hn ) ( resid 61 and name ha ) 3.20 1.40 1.80
assign ( resid 64 and name hn ) ( resid 63 and name ha ) 2.60 0.80 0.80
assign ( resid 68 and name hn ) ( resid 67 and name ha ) 3.20 1.40 1.80
assign ( resid 25 and name hn ) ( resid 24 and name ha2 ) 3.20 1.40 1.80
assign ( resid 29 and name hn ) ( resid 28 and name ha2 ) 3.20 1.40 1.80
assign ( resid 31 and name hn ) ( resid 30 and name ha2 ) 2.60 0.80 0.80
assign ( resid 43 and name hn ) ( resid 42 and name ha2 ) 3.20 1.40 1.80
assign ( resid 25 and name hn ) ( resid 24 and name ha1 ) 3.20 1.40 1.80
assign ( resid 29 and name hn ) ( resid 28 and name ha1 ) 3.20 1.40 1.80
assign ( resid 31 and name hn ) ( resid 30 and name ha1 ) 2.60 0.80 0.80
assign ( resid 2 and name hn ) ( resid 1 and name ha* ) 3.20 1.40 1.80
assign ( resid 51 and name hn ) ( resid 50 and name ha* ) 2.60 0.80 0.80
assign ( resid 43 and name hn ) ( resid 42 and name ha1 ) 3.20 1.40 1.80

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

 assign ( resid 5 and name hn ) ( resid 20 and name hn ) 4.20 1.80 1.80
 assign ( resid 5 and name hn ) ( resid 21 and name hn ) 4.20 1.80 1.80
 assign ( resid 6 and name hn ) ( resid 21 and name hn ) 4.20 1.80 1.80
 assign ( resid 15 and name hn ) ( resid 22 and name hn ) 3.20 1.40 1.80
 assign ( resid 20 and name hn ) ( resid 15 and name hn ) 4.20 1.80 1.80
 assign ( resid 22 and name hn ) ( resid 14 and name hn ) 4.20 1.80 1.80
 assign ( resid 26 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
 assign ( resid 27 and name hn ) ( resid 36 and name hn ) 4.20 1.80 1.80
 assign ( resid 27 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
 assign ( resid 33 and name hn ) ( resid 39 and name hn ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 39 and name hn ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 26 and name hn ) 4.20 1.80 1.80
 assign ( resid 42 and name hn ) ( resid 57 and name hn ) 4.20 1.80 1.80
 assign ( resid 43 and name hn ) ( resid 56 and name hn ) 4.20 1.80 1.80
 assign ( resid 43 and name hn ) ( resid 57 and name hn ) 3.20 1.40 1.80
 assign ( resid 45 and name hn ) ( resid 56 and name hn ) 4.20 1.80 1.80
 assign ( resid 55 and name hn ) ( resid 46 and name hn ) 4.20 1.80 1.80
 assign ( resid 7 and name hn ) ( resid 29 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 26 and name hg2 ) 3.20 1.40 1.80
 assign ( resid 38 and name hn ) ( resid 26 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 58 and name hn ) ( resid 65 and name hg* ) 4.50 2.00 2.50
 assign ( resid 13 and name hn ) ( resid 25 and name hb* ) 4.50 2.00 2.50
 assign ( resid 27 and name hn ) ( resid 21 and name hg ) 4.20 1.80 1.80
 assign ( resid 28 and name hn ) ( resid 21 and name hg ) 3.20 1.40 1.80
 assign ( resid 29 and name hn ) ( resid 21 and name hg ) 4.20 1.80 1.80
 assign ( resid 27 and name hn ) ( resid 21 and name hd2* ) 3.40 1.60 2.60 
 assign ( resid 29 and name hn ) ( resid 21 and name hd22 ) 4.20 1.80 1.80
 assign ( resid 44 and name hn ) ( resid 56 and name hd2 ) 4.20 1.80 1.80
 assign ( resid 27 and name hn ) ( resid 21 and name hd1* ) 4.20 1.80 1.80
 assign ( resid 28 and name hn ) ( resid 21 and name hd1* ) 3.40 1.60 2.60
 assign ( resid 29 and name hn ) ( resid 21 and name hd12 ) 4.20 1.80 1.80 
 assign ( resid 58 and name hn ) ( resid 65 and name hd1 ) 4.20 1.80 1.80
 assign ( resid 46 and name hn ) ( resid 31 and name hd* ) 5.00 2.50 3.40
 assign ( resid 54 and name hn ) ( resid 44 and name hd* ) 4.50 2.00 2.50
 assign ( resid 62 and name hn ) ( resid 27 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 62 and name hn ) ( resid 27 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 64 and name hn ) ( resid 31 and name hd* ) 2.60 0.80 0.80
 assign ( resid 5 and name hn ) ( resid 19 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 5 and name hn ) ( resid 20 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 6 and name hn ) ( resid 19 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 22 and name hn ) ( resid 14 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 25 and name hn ) ( resid 36 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 26 and name hn ) ( resid 36 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 26 and name hn ) ( resid 38 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 28 and name hn ) ( resid 13 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 63 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 64 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 32 and name hn ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 26 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 38 and name hn ) ( resid 26 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 39 and name hn ) ( resid 32 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 39 and name hn ) ( resid 33 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 41 and name hn ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 42 and name hn ) ( resid 56 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 43 and name hn ) ( resid 57 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 45 and name hn ) ( resid 56 and name hb* ) 3.20 1.40 1.80
 assign ( resid 61 and name hn ) ( resid 38 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 64 and name hn ) ( resid 31 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 67 and name hn ) ( resid 66 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 5 and name hn ) ( resid 19 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 5 and name hn ) ( resid 20 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 6 and name hn ) ( resid 19 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 7 and name hn ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 22 and name hn ) ( resid 14 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 25 and name hn ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 26 and name hn ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 27 and name hn ) ( resid 36 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 31 and name hn ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 63 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 32 and name hn ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 33 and name hn ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 37 and name hn ) ( resid 26 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 43 and name hn ) ( resid 57 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 45 and name hn ) ( resid 56 and name hg* ) 3.40 1.60 2.60
 assign ( resid 61 and name hn ) ( resid 38 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 64 and name hn ) ( resid 31 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 20 and name hn ) ( resid 5 and name hb* ) 4.50 2.00 2.50
 assign ( resid 20 and name hn ) ( resid 14 and name hb* ) 4.50 2.00 2.50
 assign ( resid 20 and name hn ) ( resid 15 and name hb* ) 3.40 1.60 2.60
 assign ( resid 21 and name hn ) ( resid 5 and name hb* ) 3.40 1.60 2.60
 assign ( resid 28 and name hn ) ( resid 21 and name hb* ) 4.20 1.80 1.80 
 assign ( resid 28 and name hn ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 29 and name hn ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 46 and name hn ) ( resid 54 and name hb* ) 4.50 2.00 2.50
 assign ( resid 46 and name hn ) ( resid 55 and name hb* ) 3.40 1.60 2.60
 assign ( resid 46 and name hn ) ( resid 64 and name hb* ) 4.50 2.00 2.50
 assign ( resid 59 and name hn ) ( resid 41 and name hb* ) 3.40 1.60 2.60
 assign ( resid 60 and name hn ) ( resid 41 and name hb* ) 4.50 2.00 2.50
 assign ( resid 13 and name hn ) ( resid 28 and name ha2 ) 4.20 1.80 1.80
 assign ( resid 57 and name hn ) ( resid 42 and name ha* ) 4.50 2.00 2.50
 assign ( resid 5 and name hn ) ( resid 19 and name ha ) 4.20 1.80 1.80
 assign ( resid 6 and name hn ) ( resid 19 and name ha ) 4.20 1.80 1.80
 assign ( resid 14 and name hn ) ( resid 21 and name ha ) 4.20 1.80 1.80
 assign ( resid 20 and name hn ) ( resid 14 and name ha ) 4.20 1.80 1.80
 assign ( resid 21 and name hn ) ( resid 14 and name ha ) 4.20 1.80 1.80
 assign ( resid 22 and name hn ) ( resid 14 and name ha ) 2.60 0.80 0.80
 assign ( resid 26 and name hn ) ( resid 37 and name ha ) 3.20 1.40 1.80
 assign ( resid 27 and name hn ) ( resid 37 and name ha ) 3.20 1.40 1.80
 assign ( resid 28 and name hn ) ( resid 21 and name ha ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 64 and name ha ) 4.20 1.80 1.80
 assign ( resid 32 and name hn ) ( resid 63 and name ha ) 3.20 1.40 1.80
 assign ( resid 34 and name hn ) ( resid 39 and name ha ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 25 and name ha ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 26 and name ha ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 33 and name ha ) 4.20 1.80 1.80
 assign ( resid 39 and name hn ) ( resid 33 and name ha ) 3.20 1.40 1.80
 assign ( resid 43 and name hn ) ( resid 57 and name ha ) 3.20 1.40 1.80
 assign ( resid 44 and name hn ) ( resid 56 and name ha ) 4.20 1.80 1.80
 assign ( resid 45 and name hn ) ( resid 56 and name ha ) 3.20 1.40 1.80
 assign ( resid 46 and name hn ) ( resid 54 and name ha ) 4.20 1.80 1.80
 assign ( resid 46 and name hn ) ( resid 55 and name ha ) 4.20 1.80 1.80
 assign ( resid 46 and name hn ) ( resid 56 and name ha ) 4.20 1.80 1.80
 assign ( resid 55 and name hn ) ( resid 44 and name ha ) 4.20 1.80 1.80
 assign ( resid 56 and name hn ) ( resid 44 and name ha ) 4.20 1.80 1.80
 assign ( resid 57 and name hn ) ( resid 41 and name ha ) 4.20 1.80 1.80
 assign ( resid 57 and name hn ) ( resid 44 and name ha ) 3.20 1.40 1.80
 assign ( resid 58 and name hn ) ( resid 41 and name ha ) 4.20 1.80 1.80
 assign ( resid 58 and name hn ) ( resid 64 and name ha ) 4.20 1.80 1.80
 assign ( resid 60 and name hn ) ( resid 41 and name ha ) 4.20 1.80 1.80
 assign ( resid 64 and name hn ) ( resid 31 and name ha ) 4.20 1.80 1.80
 assign ( resid 67 and name hn ) ( resid 55 and name ha ) 4.20 1.80 1.80
 assign ( resid 28 and name hn ) ( resid 21 and name hd2* ) 3.40 1.60 2.60



 assign ( resid 3 and name ha ) ( resid 20 and name hd* ) 3.40 1.60 2.60
 assign ( resid 3 and name ha ) ( resid 20 and name hg* ) 2.60 0.80 0.80
 assign ( resid 4 and name ha ) ( resid 19 and name ha ) 3.20 1.40 1.80
 assign ( resid 4 and name ha ) ( resid 19 and name hb1 ) 2.60 0.80 0.80 
 assign ( resid 4 and name ha ) ( resid 19 and name hb2 ) 3.20 1.40 1.80 
 assign ( resid 4 and name ha ) ( resid 20 and name hb1 ) 4.50 2.00 2.50
 assign ( resid 4 and name ha ) ( resid 20 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 4 and name ha ) ( resid 20 and name hg* ) 3.20 1.40 1.80
 assign ( resid 4 and name hb1 ) ( resid 19 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 5 and name ha ) ( resid 20 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 5 and name ha ) ( resid 21 and name hd11 ) 4.20 1.80 1.80 
 assign ( resid 5 and name hb* ) ( resid 20 and name hb1 ) 2.60 0.80 0.80
 assign ( resid 5 and name hb* ) ( resid 21 and name hg ) 4.20 1.80 1.80
 assign ( resid 5 and name hb* ) ( resid 21 and name hd1* ) 4.20 1.80 1.80
 assign ( resid 6 and name ha ) ( resid 28 and name ha1 ) 4.20 1.80 1.80
 assign ( resid 6 and name ha ) ( resid 28 and name ha2 ) 4.20 1.80 1.80
 assign ( resid 6 and name ha ) ( resid 14 and name hb* ) 4.50 2.00 2.50
 assign ( resid 6 and name ha ) ( resid 29 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 6 and name ha ) ( resid 29 and name hg* ) 3.40 1.60 2.60
 assign ( resid 9 and name ha ) ( resid 16 and name ha ) 3.20 1.40 1.80
 assign ( resid 9 and name ha ) ( resid 14 and name hb* ) 4.50 2.00 2.50
 assign ( resid 9 and name ha ) ( resid 16 and name hb* ) 3.40 1.60 2.60
 assign ( resid 9 and name hb1 ) ( resid 16 and name hb* ) 3.40 1.60 2.60
 assign ( resid 13 and name ha ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 13 and name ha ) ( resid 21 and name hg ) 4.20 1.80 1.80
 assign ( resid 13 and name ha ) ( resid 21 and name hd2* ) 4.20 1.80 1.80
 assign ( resid 13 and name hb1 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 13 and name hb1 ) ( resid 29 and name hg* ) 4.50 2.00 2.50
 assign ( resid 13 and name hb1 ) ( resid 21 and name hd2* ) 3.40 1.60 2.60  
 assign ( resid 13 and name hb2 ) ( resid 25 and name hb* ) 3.40 1.60 2.60
 assign ( resid 14 and name ha ) ( resid 22 and name ha ) 3.20 1.40 1.80
 assign ( resid 14 and name ha ) ( resid 21 and name ha ) 2.60 0.80 0.80
 assign ( resid 14 and name ha ) ( resid 6 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 22 and name hb* ) 3.40 1.60 2.60
 assign ( resid 14 and name ha ) ( resid 21 and name hg ) 3.20 1.40 1.80
 assign ( resid 14 and name ha ) ( resid 21 and name hb* ) 4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 21 and name hd12 ) 4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 21 and name hd2* ) 4.20 1.80 1.80
 assign ( resid 14 and name hb* ) ( resid 21 and name hg ) 4.20 1.80 1.80 
 assign ( resid 14 and name hb1 ) ( resid 21 and name hd22 ) 4.20 1.80 1.80
 assign ( resid 15 and name hb2 ) ( resid 20 and name hb* ) 3.40 1.60 2.60
 assign ( resid 15 and name hb2 ) ( resid 20 and name hg* ) 4.50 2.00 2.50
 assign ( resid 16 and name ha ) ( resid 9 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 19 and name ha ) ( resid 4 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 19 and name hb1 ) ( resid 4 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 19 and name ha ) ( resid 14 and name hb* ) 3.40 1.60 2.60
 assign ( resid 19 and name hb2 ) ( resid 4 and name hb2 ) 4.20 1.80 1.80 
 assign ( resid 20 and name ha ) ( resid 4 and name hb1 ) 4.50 2.00 2.00
 assign ( resid 20 and name ha ) ( resid 5 and name hb* ) 2.60 0.80 0.80
 assign ( resid 21 and name ha ) ( resid 15 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 21 and name ha ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 21 and name ha ) ( resid 14 and name hb* ) 3.20 1.40 1.80
 assign ( resid 25 and name ha ) ( resid 36 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 25 and name ha ) ( resid 36 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 25 and name ha ) ( resid 37 and name he* ) 3.40 1.60 2.60
 assign ( resid 26 and name ha ) ( resid 21 and name hg ) 4.20 1.80 1.80
 assign ( resid 27 and name ha ) ( resid 21 and name ha ) 4.20 1.80 1.80
 assign ( resid 27 and name ha ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 27 and name ha ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 27 and name ha ) ( resid 21 and name hb* ) 4.20 1.80 1.80
 assign ( resid 27 and name ha ) ( resid 21 and name hd1* ) 2.60 0.80 0.80
 assign ( resid 27 and name ha ) ( resid 21 and name hd2* ) 3.20 1.40 1.80
 assign ( resid 27 and name hb1 ) ( resid 33 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 27 and name hb1 ) ( resid 62 and name hb* ) 2.60 0.80 0.80
 assign ( resid 27 and name hb1 ) ( resid 21 and name hd12 ) 4.20 1.80 1.80
 assign ( resid 27 and name hb1 ) ( resid 21 and name hd22 ) 4.20 1.80 1.80 
 assign ( resid 27 and name hb2 ) ( resid 62 and name hb* ) 2.60 0.80 0.80
 assign ( resid 27 and name hb2 ) ( resid 21 and name hd1* ) 4.20 1.80 1.80  
 assign ( resid 27 and name hb2 ) ( resid 21 and name hd22 ) 4.20 1.80 1.80  
 assign ( resid 28 and name ha1 ) ( resid 13 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 28 and name ha1 ) ( resid 21 and name hd1* ) 4.20 1.80 1.80   
 assign ( resid 28 and name ha1 ) ( resid 21 and name hd2* ) 4.20 1.80 1.80  
 assign ( resid 28 and name ha2 ) ( resid 13 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 28 and name ha2 ) ( resid 5 and name hb* ) 4.50 2.00 2.50
 assign ( resid 28 and name ha2 ) ( resid 13 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 28 and name ha2 ) ( resid 21 and name hg ) 4.20 1.80 1.80
 assign ( resid 28 and name ha2 ) ( resid 21 and name hd1* ) 4.20 1.80 1.80  
 assign ( resid 28 and name ha2 ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
 assign ( resid 30 and name ha1 ) ( resid 62 and name hb* ) 2.60 0.80 0.80
 assign ( resid 30 and name ha2 ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 31 and name ha ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 32 and name ha ) ( resid 62 and name ha ) 3.20 1.40 1.80
 assign ( resid 32 and name ha ) ( resid 39 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 32 and name ha ) ( resid 39 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 32 and name ha ) ( resid 43 and name he* ) 4.50 2.00 2.50
 assign ( resid 32 and name ha ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 32 and name hb2 ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 32 and name hb2 ) ( resid 43 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 38 and name ha ) 3.20 1.40 1.80
 assign ( resid 33 and name ha ) ( resid 62 and name ha ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 39 and name ha ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 27 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 27 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 39 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 36 and name hb1 ) ( resid 13 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 36 and name hb1 ) ( resid 13 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 36 and name hb1 ) ( resid 25 and name hb* ) 2.60 0.80 0.80
 assign ( resid 36 and name hb1 ) ( resid 21 and name hd23 ) 4.20 1.80 1.80  
 assign ( resid 36 and name hb2 ) ( resid 25 and name hb* ) 2.60 0.80 0.80
 assign ( resid 37 and name ha ) ( resid 26 and name ha ) 3.20 1.40 1.80
 assign ( resid 37 and name ha ) ( resid 26 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 37 and name ha ) ( resid 26 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 38 and name ha ) ( resid 33 and name ha ) 3.20 1.40 1.80
 assign ( resid 38 and name ha ) ( resid 26 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 38 and name ha ) ( resid 26 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 38 and name hb2 ) ( resid 60 and name hg* ) 4.50 2.00 2.50
 assign ( resid 39 and name ha ) ( resid 34 and name hg* ) 3.40 1.60 2.60
 assign ( resid 39 and name ha ) ( resid 34 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 39 and name ha ) ( resid 34 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 39 and name hb2 ) ( resid 57 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 39 and name hb2 ) ( resid 32 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 40 and name ha ) ( resid 59 and name ha1 ) 3.20 1.40 1.80
 assign ( resid 41 and name ha ) ( resid 57 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 42 and name ha1 ) ( resid 56 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 42 and name ha1 ) ( resid 56 and name hd2 ) 3.20 1.40 1.80
 assign ( resid 42 and name ha2 ) ( resid 56 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 42 and name ha2 ) ( resid 56 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 43 and name ha ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 44 and name ha ) ( resid 56 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 44 and name ha ) ( resid 54 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 44 and name ha ) ( resid 54 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 45 and name ha ) ( resid 31 and name ha ) 4.20 1.80 1.80
 assign ( resid 45 and name ha ) ( resid 64 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 45 and name ha ) ( resid 64 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 45 and name ha ) ( resid 31 and name hg ) 4.20 1.80 1.80
 assign ( resid 45 and name ha ) ( resid 31 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 45 and name ha ) ( resid 31 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 45 and name ha ) ( resid 31 and name hd* ) 4.50 2.00 3.00
 assign ( resid 45 and name hb1 ) ( resid 64 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 45 and name hb1 ) ( resid 31 and name hd* ) 4.50 2.00 3.00
 assign ( resid 46 and name hd1 ) ( resid 55 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 46 and name hd1 ) ( resid 31 and name hd* ) 5.00 2.50 3.40
 assign ( resid 46 and name hd2 ) ( resid 55 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 46 and name hd2 ) ( resid 31 and name hd* ) 5.00 2.50 3.40
 assign ( resid 54 and name ha ) ( resid 48 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 54 and name ha ) ( resid 48 and name hd2 ) 3.20 1.40 1.80
 assign ( resid 54 and name ha ) ( resid 48 and name hb* ) 4.50 2.00 2.50
 assign ( resid 54 and name ha ) ( resid 48 and name hg* ) 3.40 1.60 2.60
 assign ( resid 54 and name ha ) ( resid 47 and name hb ) 4.20 1.80 1.80
 assign ( resid 54 and name ha ) ( resid 47 and name hg11 ) 4.20 1.80 1.80
 assign ( resid 54 and name ha ) ( resid 47 and name hg12 ) 4.20 1.80 1.80
 assign ( resid 54 and name ha ) ( resid 44 and name hd* ) 3.40 1.60 2.60
 assign ( resid 54 and name ha ) ( resid 47 and name hd* ) 4.50 2.00 2.50
 assign ( resid 54 and name hb1 ) ( resid 44 and name hd* ) 2.60 0.80 0.80
 assign ( resid 55 and name ha ) ( resid 44 and name hd* ) 4.50 2.00 2.50
 assign ( resid 55 and name ha ) ( resid 46 and name hb* ) 3.40 1.60 2.60
 assign ( resid 55 and name hb1 ) ( resid 46 and name hb* ) 3.40 1.60 2.60
 assign ( resid 55 and name hb1 ) ( resid 44 and name hd* ) 4.50 2.00 2.50
 assign ( resid 56 and name ha ) ( resid 42 and name ha1 ) 4.20 1.80 1.80
 assign ( resid 56 and name ha ) ( resid 42 and name ha2 ) 4.20 1.80 1.80
 assign ( resid 56 and name ha ) ( resid 44 and name ha ) 2.60 0.80 0.80
 assign ( resid 56 and name ha ) ( resid 41 and name ha ) 4.20 1.80 1.80
 assign ( resid 56 and name ha ) ( resid 44 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 56 and name ha ) ( resid 44 and name hd* ) 3.40 1.60 2.60
 assign ( resid 56 and name hd1 ) ( resid 44 and name hd* ) 3.40 1.60 2.60
 assign ( resid 57 and name ha ) ( resid 64 and name ha ) 3.20 1.40 1.80
 assign ( resid 57 and name ha ) ( resid 65 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 57 and name ha ) ( resid 65 and name hd2 ) 3.20 1.40 1.80
 assign ( resid 57 and name ha ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 65 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 65 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 43 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 41 and name hb* ) 4.50 2.00 2.50
 assign ( resid 57 and name hb1 ) ( resid 43 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 57 and name hb1 ) ( resid 41 and name hb* ) 4.50 2.00 2.50
 assign ( resid 57 and name hb2 ) ( resid 43 and name hb* ) 3.40 1.60 2.60
 assign ( resid 57 and name hb2 ) ( resid 43 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 57 and name hb2 ) ( resid 43 and name hg2 ) 3.20 1.40 1.80
 assign ( resid 57 and name hb2 ) ( resid 41 and name hb* ) 4.50 2.00 2.50
 assign ( resid 58 and name hb) ( resid 41 and name hb* ) 3.40 1.60 2.60
 assign ( resid 59 and name ha1 ) ( resid 41 and name ha ) 3.20 1.40 1.80
 assign ( resid 59 and name ha1 ) ( resid 41 and name hb* ) 2.60 0.80 0.80
 assign ( resid 62 and name ha ) ( resid 33 and name ha ) 4.20 1.80 1.80
 assign ( resid 62 and name ha ) ( resid 32 and name ha ) 3.20 1.40 1.80
 assign ( resid 62 and name ha ) ( resid 32 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 62 and name ha ) ( resid 32 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 63 and name ha ) ( resid 31 and name hg ) 3.20 1.40 1.80
 assign ( resid 63 and name hb1 ) ( resid 31 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 63 and name hb1 ) ( resid 31 and name hd* ) 5.00 2.50 3.40
 assign ( resid 64 and name ha ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 31 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 58 and name hg2* ) 4.50 2.00 2.50
 assign ( resid 64 and name ha ) ( resid 31 and name hd* ) 2.60 0.80 0.80
 assign ( resid 64 and name ha ) ( resid 57 and name ha ) 3.20 1.40 1.80
 assign ( resid 64 and name hb2 ) ( resid 31 and name hg ) 3.20 1.40 1.80
 assign ( resid 64 and name hb2 ) ( resid 31 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 64 and name hb2 ) ( resid 31 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 64 and name hb2 ) ( resid 31 and name hd* ) 3.20 1.40 1.80
 assign ( resid 65 and name hd1 ) ( resid 58 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 65 and name hd2 ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 65 and name hd2 ) ( resid 58 and name hg2 ) 3.40 1.60 2.60
 assign ( resid 65 and name hd1 ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 65 and name hd1 ) ( resid 45 and name hb2 ) 4.20 1.80 1.80


 assign ( resid 26 and name he21 ) ( resid 38 and name he* ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 26 and name ha ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 26 and name hg1 ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 26 and name hg2 ) 4.50 2.00 3.00
 assign ( resid 38 and name hd* ) ( resid 26 and name hb1 ) 4.50 2.00 3.00
 assign ( resid 38 and name hd* ) ( resid 26 and name hb2 ) 4.50 2.00 3.00
 assign ( resid 38 and name he* ) ( resid 26 and name hn ) 5.00 2.50 3.40
 assign ( resid 38 and name he* ) ( resid 26 and name he21 ) 4.50 2.00 3.00
 assign ( resid 38 and name he* ) ( resid 26 and name hg2 ) 4.50 2.00 3.00
 assign ( resid 38 and name he* ) ( resid 26 and name hb1 ) 4.50 2.00 3.00
 assign ( resid 38 and name he* ) ( resid 26 and name hb2 ) 4.50 2.00 3.00
 assign ( resid 38 and name hd* ) ( resid 27 and name hn ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 27 and name ha ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 27 and name hb1 ) 4.50 2.00 3.00
 assign ( resid 38 and name hd* ) ( resid 27 and name hb2 ) 4.50 2.00 3.00
 assign ( resid 38 and name he* ) ( resid 27 and name hn ) 5.00 2.50 3.40
 assign ( resid 38 and name he* ) ( resid 27 and name hb1 ) 3.40 1.60 1.80
 assign ( resid 38 and name hd* ) ( resid 33 and name ha ) 4.50 2.00 3.00
 assign ( resid 38 and name hd* ) ( resid 33 and name hb2 ) 5.00 2.50 3.40
 assign ( resid 38 and name he* ) ( resid 33 and name hb2 ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 60 and name hn ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 60 and name ha ) 3.40 1.60 1.80
 assign ( resid 38 and name he* ) ( resid 60 and name hn ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 61 and name hn ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 61 and name hb2 ) 5.00 2.50 3.40
 assign ( resid 38 and name he* ) ( resid 61 and name ha ) 5.00 2.50 3.40
 assign ( resid 38 and name he* ) ( resid 61 and name hb2 ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 62 and name hn ) 4.50 2.00 3.00
 assign ( resid 38 and name hd* ) ( resid 62 and name ha ) 4.50 2.00 3.00
 assign ( resid 38 and name he* ) ( resid 62 and name hn ) 4.50 2.00 3.00
 assign ( resid 38 and name he* ) ( resid 62 and name ha ) 4.50 2.00 3.00
 assign ( resid 67 and name hd* ) ( resid 53 and name hd2 ) 5.00 2.50 3.40
 assign ( resid 67 and name hd* ) ( resid 53 and name hb2 ) 5.00 2.50 3.40
 assign ( resid 67 and name he* ) ( resid 53 and name hb2 ) 5.00 2.50 3.40
 assign ( resid 67 and name hd* ) ( resid 56 and name hn ) 5.00 2.50 3.40
 assign ( resid 11 and name hd22 ) ( resid 6 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 6 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 11 and name hd21 ) ( resid 6 and name ha ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 28 and name ha1 ) 3.20 1.40 1.80
 assign ( resid 11 and name hd22 ) ( resid 28 and name ha2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 28 and name ha2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 29 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 29 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 29 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 29 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 26 and name he22 ) ( resid 38 and name hn ) 4.20 1.80 1.80



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

 assign ( resid 4 and name hn ) ( resid 6 and name hn ) 4.20 1.80 1.80
 assign ( resid 8 and name hn ) ( resid 11 and name hn ) 4.20 1.80 1.80
 assign ( resid 13 and name hn ) ( resid 11 and name hn ) 4.20 1.80 1.80
 assign ( resid 16 and name hn ) ( resid 18 and name hn ) 4.20 1.80 1.80
 assign ( resid 18 and name hn ) ( resid 20 and name hn ) 4.20 1.80 1.80
 assign ( resid 19 and name hn ) ( resid 15 and name hn ) 4.20 1.80 1.80
 assign ( resid 19 and name hn ) ( resid 16 and name hn ) 4.20 1.80 1.80
 assign ( resid 25 and name hn ) ( resid 22 and name hn ) 4.20 1.80 1.80
 assign ( resid 31 and name hn ) ( resid 33 and name hn ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 36 and name hn ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 37 and name hn ) 3.20 1.40 1.80
 assign ( resid 34 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
 assign ( resid 35 and name hn ) ( resid 37 and name hn ) 4.20 1.80 1.80
 assign ( resid 40 and name hn ) ( resid 43 and name hn ) 4.20 1.80 1.80
 assign ( resid 43 and name hn ) ( resid 41 and name hn ) 4.20 1.80 1.80
 assign ( resid 46 and name hn ) ( resid 44 and name hn ) 4.20 1.80 1.80
 assign ( resid 49 and name hn ) ( resid 52 and name hn ) 4.20 1.80 1.80
 assign ( resid 50 and name hn ) ( resid 52 and name hn ) 4.20 1.80 1.80
 assign ( resid 58 and name hn ) ( resid 60 and name hn ) 4.20 1.80 1.80
 assign ( resid 58 and name hn ) ( resid 61 and name hn ) 4.20 1.80 1.80
 assign ( resid 59 and name hn ) ( resid 61 and name hn ) 3.20 1.40 1.80

 assign ( resid 45 and name hn ) ( resid 44 and name hg2* ) 4.50 2.00 2.50
 assign ( resid 49 and name hn ) ( resid 47 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 27 and name hn ) ( resid 26 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 37 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 44 and name hn ) ( resid 43 and name hg2 ) 3.20 1.40 1.80
 assign ( resid 13 and name hn ) ( resid 12 and name hg* ) 3.40 1.60 2.60
 assign ( resid 27 and name hn ) ( resid 26 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 38 and name hn ) ( resid 37 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 44 and name hn ) ( resid 43 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 4 and name hn ) ( resid 2 and name hg* ) 4.50 2.00 2.50
 assign ( resid 15 and name hn ) ( resid 18 and name hg2* ) 4.50 2.00 2.50
 assign ( resid 17 and name hn ) ( resid 18 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 19 and name hn ) ( resid 18 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 21 and name hn ) ( resid 20 and name hg* ) 3.40 1.60 2.60
 assign ( resid 24 and name hn ) ( resid 23 and name hg* ) 4.50 2.00 2.50
 assign ( resid 30 and name hn ) ( resid 29 and name hg* ) 4.50 2.00 2.50
 assign ( resid 36 and name hn ) ( resid 35 and name hg* ) 4.50 2.00 2.50
 assign ( resid 37 and name hn ) ( resid 34 and name hg* ) 3.40 1.60 2.60
 assign ( resid 47 and name hn ) ( resid 46 and name hg* ) 3.40 1.60 2.60
 assign ( resid 50 and name hn ) ( resid 49 and name hg* ) 3.40 1.60 2.60
 assign ( resid 51 and name hn ) ( resid 52 and name hg* ) 4.50 2.00 2.50
 assign ( resid 59 and name hn ) ( resid 58 and name hg2* ) 4.50 2.00 2.50
 assign ( resid 60 and name hn ) ( resid 58 and name hg2* ) 4.50 2.00 2.50
 assign ( resid 61 and name hn ) ( resid 58 and name hg2* ) 4.50 2.00 2.50
 assign ( resid 66 and name hn ) ( resid 65 and name hg* ) 4.50 2.00 2.50
 assign ( resid 67 and name hn ) ( resid 66 and name hg* ) 3.40 1.60 2.60
 assign ( resid 68 and name hn ) ( resid 66 and name hg* ) 4.50 2.00 2.50
 assign ( resid 32 and name hn ) ( resid 31 and name hg ) 4.20 1.80 1.80
 assign ( resid 22 and name hn ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
 assign ( resid 52 and name hn ) ( resid 53 and name hd2 ) 4.20 1.80 1.80
 assign ( resid 57 and name hn ) ( resid 56 and name hd2 ) 4.20 1.80 1.80
 assign ( resid 13 and name hn ) ( resid 12 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 13 and name hn ) ( resid 12 and name hd2 ) 3.20 1.40 1.80
 assign ( resid 52 and name hn ) ( resid 53 and name hd1 ) 4.20 1.80 1.80
 assign ( resid 57 and name hn ) ( resid 56 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 32 and name hn ) ( resid 31 and name hd* ) 5.00 2.50 3.40
 assign ( resid 33 and name hn ) ( resid 31 and name hd* ) 5.00 2.50 3.40
 assign ( resid 38 and name hn ) ( resid 37 and name hd* ) 4.50 2.00 2.50
 assign ( resid 41 and name hn ) ( resid 40 and name hd* ) 3.40 1.60 2.60
 assign ( resid 45 and name hn ) ( resid 44 and name hd* ) 3.40 1.60 2.60
 assign ( resid 46 and name hn ) ( resid 44 and name hd* ) 2.60 0.80 0.80
 assign ( resid 50 and name hn ) ( resid 49 and name hd* ) 4.50 2.00 2.50
 assign ( resid 4 and name hn ) ( resid 3 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 5 and name hn ) ( resid 4 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 6 and name hn ) ( resid 4 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 7 and name hn ) ( resid 6 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 8 and name hn ) ( resid 6 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 8 and name hn ) ( resid 11 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 10 and name hn ) ( resid 8 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 10 and name hn ) ( resid 11 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 11 and name hn ) ( resid 10 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 14 and name hn ) ( resid 13 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 15 and name hn ) ( resid 14 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 16 and name hn ) ( resid 15 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 17 and name hn ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 18 and name hn ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 19 and name hn ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 20 and name hn ) ( resid 19 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 28 and name hn ) ( resid 27 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 28 and name hn ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 29 and name hn ) ( resid 27 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 29 and name hn ) ( resid 33 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 30 and name hn ) ( resid 29 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 30 and name hn ) ( resid 33 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 32 and name hn ) ( resid 31 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 34 and name hn ) ( resid 33 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 37 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 35 and name hn ) ( resid 34 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 36 and name hn ) ( resid 35 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 35 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 36 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 37 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 39 and name hn ) ( resid 38 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 40 and name hn ) ( resid 39 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 56 and name hn ) ( resid 55 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 57 and name hn ) ( resid 56 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 58 and name hn ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 60 and name hn ) ( resid 61 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 61 and name hn ) ( resid 60 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 62 and name hn ) ( resid 61 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 63 and name hn ) ( resid 61 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 68 and name hn ) ( resid 66 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 68 and name hn ) ( resid 67 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 4 and name hn ) ( resid 3 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 5 and name hn ) ( resid 4 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 6 and name hn ) ( resid 4 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 7 and name hn ) ( resid 6 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 8 and name hn ) ( resid 6 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 8 and name hn ) ( resid 7 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 8 and name hn ) ( resid 11 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 10 and name hn ) ( resid 8 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 10 and name hn ) ( resid 11 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 11 and name hn ) ( resid 10 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 13 and name hn ) ( resid 12 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 13 and name hn ) ( resid 12 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 13 and name hn ) ( resid 14 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 14 and name hn ) ( resid 12 and name hg* ) 4.50 2.00 2.50
 assign ( resid 14 and name hn ) ( resid 13 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 15 and name hn ) ( resid 14 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 16 and name hn ) ( resid 15 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 18 and name hn ) ( resid 15 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 19 and name hn ) ( resid 15 and name hb1 ) 2.60 0.80 0.80
 assign ( resid 20 and name hn ) ( resid 19 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 21 and name hn ) ( resid 20 and name hb1 ) 3.20 1.40 1.80 
 assign ( resid 28 and name hn ) ( resid 27 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 28 and name hn ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 29 and name hn ) ( resid 27 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 29 and name hn ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 32 and name hn ) ( resid 31 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 32 and name hn ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 35 and name hn ) ( resid 34 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 36 and name hn ) ( resid 35 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 34 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 35 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 38 and name hn ) ( resid 37 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 39 and name hn ) ( resid 38 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 40 and name hn ) ( resid 39 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 41 and name hn ) ( resid 40 and name hb* ) 2.60 0.80 0.80
 assign ( resid 55 and name hn ) ( resid 54 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 56 and name hn ) ( resid 55 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 57 and name hn ) ( resid 56 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 58 and name hn ) ( resid 57 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 60 and name hn ) ( resid 61 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 61 and name hn ) ( resid 60 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 63 and name hn ) ( resid 61 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 64 and name hn ) ( resid 63 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 67 and name hn ) ( resid 66 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 68 and name hn ) ( resid 66 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 6 and name hn ) ( resid 5 and name hb* ) 3.40 1.60 2.60
 assign ( resid 11 and name hn ) ( resid 8 and name hb* ) 3.40 1.60 2.60
 assign ( resid 18 and name hn ) ( resid 17 and name hb* ) 2.60 0.80 0.80
 assign ( resid 22 and name hn ) ( resid 21 and name hb* ) 3.20 1.40 1.80 
 assign ( resid 24 and name hn ) ( resid 23 and name hb* ) 3.40 1.60 2.60
 assign ( resid 25 and name hn ) ( resid 21 and name hb* ) 3.40 1.60 2.60
 assign ( resid 25 and name hn ) ( resid 23 and name hb* ) 4.50 2.00 2.50
 assign ( resid 26 and name hn ) ( resid 25 and name hb* ) 3.40 1.60 2.60
 assign ( resid 27 and name hn ) ( resid 26 and name hb* ) 3.40 1.60 2.60
 assign ( resid 42 and name hn ) ( resid 41 and name hb* ) 3.40 1.60 2.60
 assign ( resid 46 and name hn ) ( resid 45 and name hb* ) 4.50 2.00 2.50
 assign ( resid 49 and name hn ) ( resid 48 and name hb* ) 3.40 1.60 2.60
 assign ( resid 50 and name hn ) ( resid 48 and name hb* ) 4.50 2.00 2.50
 assign ( resid 50 and name hn ) ( resid 49 and name hb* ) 3.40 1.60 2.60
 assign ( resid 52 and name hn ) ( resid 51 and name hb* ) 4.50 2.00 2.50
 assign ( resid 63 and name hn ) ( resid 62 and name hb* ) 3.40 1.60 2.60
 assign ( resid 66 and name hn ) ( resid 65 and name hb* ) 3.40 1.60 2.60
 assign ( resid 66 and name hn ) ( resid 65 and name hb* ) 3.40 1.60 2.60
 assign ( resid 20 and name hn ) ( resid 18 and name hb ) 3.20 1.40 1.80
 assign ( resid 45 and name hn ) ( resid 44 and name hb ) 3.20 1.40 1.80
 assign ( resid 46 and name hn ) ( resid 44 and name hb ) 4.20 1.80 1.80
 assign ( resid 60 and name hn ) ( resid 58 and name hb ) 3.20 1.40 1.80
 assign ( resid 61 and name hn ) ( resid 58 and name hb ) 4.20 1.80 1.80
 assign ( resid 52 and name hn ) ( resid 50 and name ha* ) 4.50 2.00 2.50
 assign ( resid 61 and name hn ) ( resid 58 and name ha ) 3.20 1.40 1.80
 assign ( resid 7 and name hn ) ( resid 8 and name ha ) 4.20 1.80 1.80
 assign ( resid 8 and name hn ) ( resid 6 and name ha ) 3.20 1.40 1.80
 assign ( resid 10 and name hn ) ( resid 8 and name ha ) 4.20 1.80 1.80
 assign ( resid 11 and name hn ) ( resid 9 and name ha ) 3.20 1.40 1.80
 assign ( resid 14 and name hn ) ( resid 12 and name ha ) 3.20 1.40 1.80
 assign ( resid 15 and name hn ) ( resid 19 and name ha ) 4.20 1.80 1.80 
 assign ( resid 17 and name hn ) ( resid 15 and name ha ) 3.20 1.40 1.80
 assign ( resid 19 and name hn ) ( resid 16 and name ha ) 3.20 1.40 1.80
 assign ( resid 25 and name hn ) ( resid 23 and name ha ) 3.20 1.40 1.80
 assign ( resid 28 and name hn ) ( resid 29 and name ha ) 4.20 1.80 1.80
 assign ( resid 29 and name hn ) ( resid 27 and name ha ) 3.20 1.40 1.80
 assign ( resid 32 and name hn ) ( resid 33 and name ha ) 4.20 1.80 1.80
 assign ( resid 33 and name hn ) ( resid 30 and name ha2 ) 4.20 1.80 1.80
 assign ( resid 33 and name hn ) ( resid 30 and name ha1 ) 3.20 1.40 1.80
 assign ( resid 34 and name hn ) ( resid 35 and name ha ) 4.20 1.80 1.80
 assign ( resid 34 and name hn ) ( resid 38 and name ha ) 4.20 1.80 1.80
 assign ( resid 36 and name hn ) ( resid 34 and name ha ) 3.20 1.40 1.80
 assign ( resid 37 and name hn ) ( resid 33 and name ha ) 4.20 1.80 1.80
 assign ( resid 37 and name hn ) ( resid 35 and name ha ) 4.20 1.80 1.80
 assign ( resid 39 and name hn ) ( resid 37 and name ha ) 4.20 1.80 1.80
 assign ( resid 43 and name hn ) ( resid 41 and name ha ) 3.20 1.40 1.80
 assign ( resid 43 and name hn ) ( resid 41 and name hb* ) 4.50 2.00 2.50
 assign ( resid 46 and name hn ) ( resid 44 and name ha ) 3.20 1.40 1.80
 assign ( resid 55 and name hn ) ( resid 56 and name ha ) 4.20 1.80 1.80
 assign ( resid 60 and name hn ) ( resid 58 and name ha ) 3.20 1.40 1.80
 assign ( resid 63 and name hn ) ( resid 61 and name ha ) 3.20 1.40 1.80


 assign ( resid 4 and name ha ) ( resid 3 and name ha ) 4.20 1.80 1.80
 assign ( resid 6 and name ha ) ( resid 7 and name ha ) 4.20 1.80 1.80
 assign ( resid 7 and name ha ) ( resid 4 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 7 and name ha ) ( resid 4 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 8 and name ha ) ( resid 9 and name ha ) 3.20 1.40 1.80
 assign ( resid 8 and name ha ) ( resid 9 and name hb* ) 3.40 1.60 2.60
 assign ( resid 8 and name ha ) ( resid 10 and name hb* ) 4.50 2.00 2.50
 assign ( resid 8 and name hb2 ) ( resid 11 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 8 and name hb2 ) ( resid 11 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 8 and name hb2 ) ( resid 10 and name hb* ) 4.50 2.00 2.50
 assign ( resid 9 and name ha ) ( resid 8 and name ha ) 3.20 1.40 1.80
 assign ( resid 13 and name ha ) ( resid 14 and name hb* ) 3.40 1.60 2.60
 assign ( resid 14 and name ha ) ( resid 13 and name ha ) 4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 15 and name ha ) 4.20 1.80 1.80
 assign ( resid 14 and name ha ) ( resid 15 and name hb1 ) 3.20 1.40 1.80
 assign ( resid 14 and name ha ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 15 and name ha ) ( resid 14 and name hb* ) 4.20 1.80 1.80
 assign ( resid 15 and name hb1 ) ( resid 18 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 15 and name hb2 ) ( resid 18 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 16 and name ha ) ( resid 14 and name hb* ) 4.50 2.00 2.50
 assign ( resid 19 and name ha ) ( resid 16 and name ha ) 3.20 1.40 1.80
 assign ( resid 20 and name ha ) ( resid 21 and name hd11 ) 4.20 1.80 1.80 
 assign ( resid 23 and name hd2 ) ( resid 22 and name hd1 ) 4.20 1.80 1.80
 assign ( resid 23 and name hd2 ) ( resid 22 and name hd2 ) 4.20 1.80 1.80
 assign ( resid 23 and name hd2 ) ( resid 21 and name hb* ) 3.40 1.60 2.60 
 assign ( resid 24 and name ha2 ) ( resid 25 and name hb* ) 4.50 2.00 2.50
 assign ( resid 25 and name ha ) ( resid 26 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 25 and name ha ) ( resid 26 and name ha ) 4.20 1.80 1.80
 assign ( resid 27 and name ha ) ( resid 28 and name ha2 ) 3.20 1.40 1.80
 assign ( resid 27 and name hb1 ) ( resid 26 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 27 and name hb1 ) ( resid 26 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 27 and name hb1 ) ( resid 26 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 28 and name ha2 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 28 and name ha2 ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 28 and name ha2 ) ( resid 29 and name hg* ) 4.50 2.00 2.50
 assign ( resid 29 and name ha ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 29 and name ha ) ( resid 33 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 30 and name ha1 ) ( resid 31 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 30 and name ha1 ) ( resid 31 and name hd* ) 4.50 2.00 3.00
 assign ( resid 30 and name ha2 ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 32 and name ha ) ( resid 31 and name ha ) 4.20 1.80 1.80
 assign ( resid 32 and name ha ) ( resid 31 and name hd* ) 5.00 2.50 3.40
 assign ( resid 33 and name ha ) ( resid 34 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 34 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 33 and name ha ) ( resid 34 and name hg* ) 4.50 2.00 2.50
 assign ( resid 34 and name ha ) ( resid 33 and name ha ) 4.20 1.80 1.80
 assign ( resid 38 and name ha ) ( resid 37 and name ha ) 4.20 1.80 1.80
 assign ( resid 38 and name ha ) ( resid 39 and name ha ) 3.20 1.40 1.80
 assign ( resid 39 and name hb1 ) ( resid 43 and name he* ) 4.50 2.00 2.50
 assign ( resid 39 and name hb2 ) ( resid 43 and name hd* ) 3.40 1.60 2.60
 assign ( resid 39 and name hb2 ) ( resid 43 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 39 and name hb2 ) ( resid 43 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 40 and name ha ) ( resid 41 and name ha ) 3.20 1.40 1.80
 assign ( resid 40 and name ha ) ( resid 38 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 40 and name ha ) ( resid 41 and name hb* ) 3.40 1.60 2.60
 assign ( resid 42 and name ha2 ) ( resid 41 and name hb* ) 4.50 2.00 2.50
 assign ( resid 44 and name ha ) ( resid 42 and name ha2 ) 4.20 1.80 1.80
 assign ( resid 44 and name ha ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 45 and name ha ) ( resid 46 and name ha ) 3.20 1.40 1.80
 assign ( resid 45 and name ha ) ( resid 44 and name ha ) 3.20 1.40 1.80
 assign ( resid 45 and name ha ) ( resid 43 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 45 and name ha ) ( resid 43 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 45 and name ha ) ( resid 44 and name hd* ) 3.40 1.60 2.60
 assign ( resid 46 and name ha ) ( resid 45 and name ha ) 3.20 1.40 1.80
 assign ( resid 46 and name ha ) ( resid 47 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 46 and name ha ) ( resid 47 and name hd* ) 4.50 2.00 2.50
 assign ( resid 48 and name ha ) ( resid 47 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 48 and name hd2 ) ( resid 47 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 48 and name hd2 ) ( resid 47 and name hd* ) 4.50 2.00 2.50
 assign ( resid 49 and name ha ) ( resid 47 and name hg2* ) 4.50 2.00 2.50
 assign ( resid 49 and name ha ) ( resid 47 and name hd* ) 4.50 2.00 2.50
 assign ( resid 49 and name hd* ) ( resid 47 and name hg2* ) 5.00 2.50 3.00
 assign ( resid 49 and name hd* ) ( resid 47 and name hd* ) 5.00 2.50 3.00
 assign ( resid 52 and name ha ) ( resid 53 and name hd1 ) 3.20 1.40 1.80
 assign ( resid 52 and name ha ) ( resid 53 and name hd2 ) 3.20 1.40 1.80
 assign ( resid 52 and name ha ) ( resid 53 and name hg* ) 3.40 1.60 2.60
 assign ( resid 53 and name ha ) ( resid 54 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 53 and name ha ) ( resid 54 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 53 and name hd1 ) ( resid 52 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 53 and name hd1 ) ( resid 52 and name hg2 ) 4.20 1.80 1.80
 assign ( resid 53 and name hd1 ) ( resid 52 and name hb1 ) 3.40 1.60 2.60
 assign ( resid 53 and name hd1 ) ( resid 52 and name hb2 ) 3.40 1.60 2.60
 assign ( resid 53 and name hd1 ) ( resid 52 and name he* ) 3.40 1.60 2.60
 assign ( resid 53 and name hd2 ) ( resid 52 and name hg1 ) 4.20 1.80 1.80
 assign ( resid 53 and name hd2 ) ( resid 52 and name hb1 ) 3.40 1.60 2.10
 assign ( resid 53 and name hd2 ) ( resid 52 and name hb2 ) 3.40 1.60 2.10
 assign ( resid 53 and name hd2 ) ( resid 52 and name he* ) 3.40 1.60 2.10
 assign ( resid 54 and name hb1 ) ( resid 56 and name hg* ) 4.50 2.00 2.50
 assign ( resid 56 and name ha ) ( resid 57 and name ha ) 4.20 1.80 1.80
 assign ( resid 56 and name ha ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 56 and name ha ) ( resid 54 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 56 and name ha ) ( resid 54 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 56 and name ha ) 4.20 1.80 1.80
 assign ( resid 57 and name ha ) ( resid 58 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 58 and name hb ) ( resid 60 and name hb* ) 3.40 1.60 2.60
 assign ( resid 58 and name hb ) ( resid 60 and name hg* ) 3.40 1.60 2.60
 assign ( resid 59 and name ha1 ) ( resid 60 and name hg* ) 3.40 1.60 2.60
 assign ( resid 63 and name ha ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 63 and name ha ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 65 and name ha ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 65 and name hd1 ) 2.60 0.80 0.80
 assign ( resid 64 and name ha ) ( resid 65 and name hd2 ) 2.60 0.80 0.80
 assign ( resid 64 and name ha ) ( resid 63 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 63 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 65 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 64 and name ha ) ( resid 65 and name hb2 ) 3.20 1.40 1.80
 assign ( resid 64 and name ha ) ( resid 65 and name hg1 ) 3.20 1.40 1.80
 assign ( resid 64 and name ha ) ( resid 65 and name hg2 ) 3.20 1.40 1.80
 assign ( resid 65 and name ha ) ( resid 63 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 65 and name ha ) ( resid 63 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 65 and name hd1 ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 65 and name hd1 ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 65 and name ha ) ( resid 64 and name ha ) 4.20 1.80 1.80
 assign ( resid 65 and name hd2 ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
 assign ( resid 65 and name hd2 ) ( resid 64 and name hb2 ) 4.20 1.80 1.80


 assign ( resid 38 and name hd* ) ( resid 34 and name hn ) 5.00 2.50 3.40
 assign ( resid 38 and name hd* ) ( resid 37 and name ha ) 5.00 2.50 3.40
 assign ( resid 67 and name hd* ) ( resid 66 and name ha ) 5.00 2.50 3.40
 assign ( resid 67 and name hd* ) ( resid 67 and name hn ) 4.50 2.00 3.00
 assign ( resid 67 and name hd* ) ( resid 68 and name hn ) 4.50 2.00 3.00
 assign ( resid 11 and name hd22 ) ( resid 8 and name hn ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 8 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 8 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 8 and name hn ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 13 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd22 ) ( resid 13 and name hn ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 13 and name hb2 ) 4.20 1.80 1.80
 assign ( resid 11 and name hd21 ) ( resid 13 and name hn ) 4.20 1.80 1.80



!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 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


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          HT1       GLY   1 -13.281  -9.102  12.831
    2   2H    GLY   1          HT2       GLY   1 -11.702  -8.708  13.322
    3   3H    GLY   1          HT3       GLY   1 -12.029  -9.037  11.688
    4   1HA   GLY   1          HA1       GLY   1 -13.723  -6.962  12.575
    5   2HA   GLY   1          HA2       GLY   1 -12.046  -6.568  12.951
    6    H    LYS   2           H        LYS   2 -13.287  -8.518  10.245
    7    HA   LYS   2           HA       LYS   2 -11.709  -6.862   8.386
    8   1HB   LYS   2          HB2       LYS   2 -13.249  -9.441   8.164
    9   2HB   LYS   2          HB1       LYS   2 -12.758  -8.571   6.710
   10   1HG   LYS   2          HG2       LYS   2 -10.411  -8.594   7.499
   11   2HG   LYS   2          HG1       LYS   2 -10.911  -9.501   8.926
   12   1HD   LYS   2          HD2       LYS   2 -11.410 -11.427   7.692
   13   2HD   LYS   2          HD1       LYS   2 -11.593 -10.529   6.184
   14   1HE   LYS   2          HE2       LYS   2  -8.925 -10.204   7.296
   15   2HE   LYS   2          HE1       LYS   2  -9.308 -11.904   7.023
   16   1HZ   LYS   2          HZ1       LYS   2  -9.840 -11.454   4.767
   17   2HZ   LYS   2          HZ2       LYS   2  -8.328 -10.742   5.077
   18   3HZ   LYS   2          HZ3       LYS   2  -9.726  -9.778   4.998
   19    H    GLU   3           H        GLU   3 -13.678  -5.303   9.477
   20    HA   GLU   3           HA       GLU   3 -15.658  -5.076   7.243
   21   1HB   GLU   3          HB2       GLU   3 -15.993  -4.601  10.211
   22   2HB   GLU   3          HB1       GLU   3 -17.106  -3.919   9.026
   23   1HG   GLU   3          HG2       GLU   3 -18.052  -6.010   9.741
   24   2HG   GLU   3          HG1       GLU   3 -17.415  -6.265   8.117
   25    H    CYS   4           H        CYS   4 -13.029  -3.649   8.773
   26    HA   CYS   4           HA       CYS   4 -13.775  -1.011   7.589
   27   1HB   CYS   4          HB2       CYS   4 -12.859  -1.651  10.341
   28   2HB   CYS   4          HB1       CYS   4 -12.113  -0.245   9.584
   29    H    ASP   5           H        ASP   5 -12.358  -0.577   5.971
   30    HA   ASP   5           HA       ASP   5  -9.675  -1.853   6.044
   31   1HB   ASP   5          HB2       ASP   5 -10.928  -2.126   3.967
   32   2HB   ASP   5          HB1       ASP   5 -11.147  -0.380   3.837
   33    H    CYS   6           H        CYS   6 -11.183   1.128   6.711
   34    HA   CYS   6           HA       CYS   6  -8.506   2.451   6.756
   35   1HB   CYS   6          HB2       CYS   6  -9.492   4.529   5.971
   36   2HB   CYS   6          HB1       CYS   6  -9.879   3.255   4.814
   37    H    SER   7           H        SER   7  -8.448   4.279   8.333
   38    HA   SER   7           HA       SER   7 -10.040   3.581  10.726
   39   1HB   SER   7          HB2       SER   7  -7.481   4.985  10.195
   40   2HB   SER   7          HB1       SER   7  -8.422   5.595  11.553
   41    HG   SER   7           HG       SER   7  -6.868   3.724  11.844
   42    H    SER   8           H        SER   8  -9.444   6.361   8.584
   43    HA   SER   8           HA       SER   8 -11.298   8.058  10.073
   44   1HB   SER   8          HB2       SER   8 -10.398   8.626   7.263
   45   2HB   SER   8          HB1       SER   8 -10.713   9.759   8.576
   46    HG   SER   8           HG       SER   8  -8.431   8.435   7.912
   47    HA   PRO   9           HA       PRO   9 -14.847   6.485   7.912
   48   1HB   PRO   9          HB2       PRO   9 -16.650   8.237   9.022
   49   2HB   PRO   9          HB1       PRO   9 -16.018   6.815   9.871
   50   1HG   PRO   9          HG2       PRO   9 -15.344   9.692  10.270
   51   2HG   PRO   9          HG1       PRO   9 -15.248   8.346  11.418
   52   1HD   PRO   9          HD2       PRO   9 -13.069   9.496  10.015
   53   2HD   PRO   9          HD1       PRO   9 -13.044   7.968  10.921
   54    H    GLU  10           H        GLU  10 -13.359   9.487   7.464
   55    HA   GLU  10           HA       GLU  10 -15.364  10.305   5.404
   56   1HB   GLU  10          HB2       GLU  10 -14.563  11.888   7.332
   57   2HB   GLU  10          HB1       GLU  10 -13.114  12.066   6.342
   58   1HG   GLU  10          HG2       GLU  10 -14.610  12.653   4.398
   59   2HG   GLU  10          HG1       GLU  10 -15.968  12.675   5.526
   60    H    ASN  11           H        ASN  11 -12.564   8.593   5.615
   61    HA   ASN  11           HA       ASN  11 -10.925   9.735   3.573
   62   1HB   ASN  11          HB2       ASN  11 -10.378   7.821   5.233
   63   2HB   ASN  11          HB1       ASN  11 -11.154   6.767   4.052
   64   1HD2  ASN  11          1HD2      ASN  11  -8.163   8.056   4.898
   65   2HD2  ASN  11          2HD2      ASN  11  -7.378   7.894   3.402
   66    HA   PRO  12           HA       PRO  12 -13.488   8.776   0.085
   67   1HB   PRO  12          HB2       PRO  12 -11.666   9.517  -1.836
   68   2HB   PRO  12          HB1       PRO  12 -12.622  10.675  -0.896
   69   1HG   PRO  12          HG2       PRO  12  -9.734   9.981  -0.640
   70   2HG   PRO  12          HG1       PRO  12 -10.569  11.482  -0.210
   71   1HD   PRO  12          HD2       PRO  12  -9.757   9.458   1.593
   72   2HD   PRO  12          HD1       PRO  12 -10.863  10.798   1.956
   73    H    CYS  13           H        CYS  13 -10.210   7.524   0.470
   74    HA   CYS  13           HA       CYS  13 -10.268   5.638  -1.692
   75   1HB   CYS  13          HB2       CYS  13  -8.755   5.600   0.937
   76   2HB   CYS  13          HB1       CYS  13  -8.468   4.474  -0.386
   77    H    CYS  14           H        CYS  14 -11.503   5.550   1.606
   78    HA   CYS  14           HA       CYS  14 -12.489   2.777   1.081
   79   1HB   CYS  14          HB2       CYS  14 -12.486   2.383   3.434
   80   2HB   CYS  14          HB1       CYS  14 -10.950   3.170   3.081
   81    H    ASP  15           H        ASP  15 -14.659   2.332   1.399
   82    HA   ASP  15           HA       ASP  15 -16.475   4.584   1.094
   83   1HB   ASP  15          HB2       ASP  15 -16.596   2.077   0.207
   84   2HB   ASP  15          HB1       ASP  15 -17.435   1.827   1.733
   85    H    ALA  16           H        ALA  16 -17.534   5.631   2.725
   86    HA   ALA  16           HA       ALA  16 -17.026   4.905   5.492
   87   1HB   ALA  16          HB1       ALA  16 -18.399   6.823   6.049
   88   2HB   ALA  16          HB2       ALA  16 -19.079   6.865   4.423
   89   3HB   ALA  16          HB3       ALA  16 -17.380   7.265   4.678
   90    H    ALA  17           H        ALA  17 -19.630   4.382   3.193
   91    HA   ALA  17           HA       ALA  17 -21.722   3.657   4.955
   92   1HB   ALA  17          HB1       ALA  17 -21.265   2.066   2.453
   93   2HB   ALA  17          HB2       ALA  17 -21.603   3.792   2.312
   94   3HB   ALA  17          HB3       ALA  17 -22.768   2.725   3.097
   95    H    THR  18           H        THR  18 -19.276   1.526   3.438
   96    HA   THR  18           HA       THR  18 -19.920  -0.525   5.502
   97    HB   THR  18           HB       THR  18 -20.007  -1.329   3.191
   98    HG1  THR  18           HG1      THR  18 -18.999  -3.086   3.744
   99   1HG2  THR  18          1HG2      THR  18 -17.244  -1.221   2.477
  100   2HG2  THR  18          2HG2      THR  18 -17.763   0.410   2.904
  101   3HG2  THR  18          3HG2      THR  18 -18.616  -0.485   1.646
  102    H    CYS  19           H        CYS  19 -17.751   1.956   4.958
  103    HA   CYS  19           HA       CYS  19 -15.734   2.524   6.014
  104   1HB   CYS  19          HB2       CYS  19 -16.880   1.667   8.038
  105   2HB   CYS  19          HB1       CYS  19 -16.321   0.041   7.658
  106    H    LYS  20           H        LYS  20 -15.904   0.529   3.712
  107    HA   LYS  20           HA       LYS  20 -13.146  -0.562   4.091
  108   1HB   LYS  20          HB2       LYS  20 -15.575  -1.961   2.968
  109   2HB   LYS  20          HB1       LYS  20 -13.935  -2.516   2.633
  110   1HG   LYS  20          HG2       LYS  20 -13.883  -2.157   5.366
  111   2HG   LYS  20          HG1       LYS  20 -15.524  -2.742   5.098
  112   1HD   LYS  20          HD2       LYS  20 -12.945  -4.081   4.246
  113   2HD   LYS  20          HD1       LYS  20 -14.117  -4.673   5.423
  114   1HE   LYS  20          HE2       LYS  20 -15.675  -4.263   3.178
  115   2HE   LYS  20          HE1       LYS  20 -14.162  -4.858   2.496
  116   1HZ   LYS  20          HZ1       LYS  20 -14.301  -6.642   4.268
  117   2HZ   LYS  20          HZ2       LYS  20 -15.399  -6.758   2.977
  118   3HZ   LYS  20          HZ3       LYS  20 -15.915  -6.166   4.483
  119    H    LEU  21           H        LEU  21 -12.026  -0.961   1.995
  120    HA   LEU  21           HA       LEU  21 -11.868   1.217   0.315
  121   1HB   LEU  21          HB2       LEU  21 -11.346  -1.701  -0.157
  122   2HB   LEU  21          HB1       LEU  21 -11.176  -0.558  -1.490
  123    HG   LEU  21           HG       LEU  21  -9.931   0.340   1.021
  124   1HD1  LEU  21          1HD1      LEU  21  -9.593  -2.250   0.847
  125   2HD1  LEU  21          2HD1      LEU  21  -8.191  -1.225   1.150
  126   3HD1  LEU  21          3HD1      LEU  21  -8.498  -1.843  -0.474
  127   1HD2  LEU  21          1HD2      LEU  21  -9.017   0.052  -1.858
  128   2HD2  LEU  21          2HD2      LEU  21  -8.080   0.840  -0.588
  129   3HD2  LEU  21          3HD2      LEU  21  -9.626   1.521  -1.094
  130    H    ARG  22           H        ARG  22 -12.993   2.009  -1.456
  131    HA   ARG  22           HA       ARG  22 -15.555   0.626  -2.060
  132   1HB   ARG  22          HB2       ARG  22 -16.227   2.733  -1.483
  133   2HB   ARG  22          HB1       ARG  22 -14.710   3.474  -1.962
  134   1HG   ARG  22          HG2       ARG  22 -15.358   3.209  -4.349
  135   2HG   ARG  22          HG1       ARG  22 -16.894   2.512  -3.835
  136   1HD   ARG  22          HD2       ARG  22 -16.176   5.120  -2.614
  137   2HD   ARG  22          HD1       ARG  22 -16.578   5.151  -4.332
  138    HE   ARG  22           HE       ARG  22 -18.419   4.063  -2.237
  139   1HH1  ARG  22          1HH1      ARG  22 -17.971   6.618  -4.328
  140   2HH1  ARG  22          2HH1      ARG  22 -19.509   6.488  -5.114
  141   1HH2  ARG  22          1HH2      ARG  22 -20.309   3.455  -3.634
  142   2HH2  ARG  22          2HH2      ARG  22 -20.832   4.698  -4.722
  143    HA   PRO  23           HA       PRO  23 -14.005   1.473  -6.460
  144   1HB   PRO  23          HB2       PRO  23 -11.682   2.896  -6.827
  145   2HB   PRO  23          HB1       PRO  23 -13.286   3.642  -6.738
  146   1HG   PRO  23          HG2       PRO  23 -11.119   3.590  -4.685
  147   2HG   PRO  23          HG1       PRO  23 -12.388   4.798  -4.946
  148   1HD   PRO  23          HD2       PRO  23 -12.405   2.821  -2.944
  149   2HD   PRO  23          HD1       PRO  23 -13.806   3.770  -3.479
  150    H    GLY  24           H        GLY  24 -11.777   0.941  -7.829
  151   1HA   GLY  24          HA2       GLY  24 -10.877  -1.600  -6.775
  152   2HA   GLY  24          HA1       GLY  24 -10.291  -0.834  -8.252
  153    H    ALA  25           H        ALA  25 -10.186  -0.046  -4.754
  154    HA   ALA  25           HA       ALA  25  -7.338   0.745  -5.132
  155   1HB   ALA  25          HB1       ALA  25  -8.501   2.518  -4.099
  156   2HB   ALA  25          HB2       ALA  25  -7.730   1.692  -2.745
  157   3HB   ALA  25          HB3       ALA  25  -9.441   1.428  -3.083
  158    H    GLN  26           H        GLN  26  -5.815   0.084  -3.382
  159    HA   GLN  26           HA       GLN  26  -6.466  -2.672  -2.450
  160   1HB   GLN  26          HB2       GLN  26  -4.136  -1.473  -3.625
  161   2HB   GLN  26          HB1       GLN  26  -3.725  -2.046  -2.007
  162   1HG   GLN  26          HG2       GLN  26  -3.586  -4.124  -2.867
  163   2HG   GLN  26          HG1       GLN  26  -5.331  -4.065  -3.104
  164   1HE2  GLN  26          1HE2      GLN  26  -2.628  -4.814  -4.787
  165   2HE2  GLN  26          2HE2      GLN  26  -3.080  -4.302  -6.342
  166    H    CYS  27           H        CYS  27  -5.761   0.541  -1.361
  167    HA   CYS  27           HA       CYS  27  -6.161  -0.352   1.428
  168   1HB   CYS  27          HB2       CYS  27  -3.888  -0.353   1.715
  169   2HB   CYS  27          HB1       CYS  27  -3.605   0.635   0.290
  170    H    GLY  28           H        GLY  28  -7.062   1.310   2.729
  171   1HA   GLY  28          HA2       GLY  28  -8.190   3.566   1.198
  172   2HA   GLY  28          HA1       GLY  28  -8.659   3.089   2.829
  173    H    GLU  29           H        GLU  29  -5.805   2.878   3.630
  174    HA   GLU  29           HA       GLU  29  -4.652   5.522   3.306
  175   1HB   GLU  29          HB2       GLU  29  -4.952   6.265   5.595
  176   2HB   GLU  29          HB1       GLU  29  -6.531   5.956   4.889
  177   1HG   GLU  29          HG2       GLU  29  -6.979   4.367   6.416
  178   2HG   GLU  29          HG1       GLU  29  -5.452   3.547   6.087
  179    H    GLY  30           H        GLY  30  -2.561   5.658   4.341
  180   1HA   GLY  30          HA2       GLY  30  -1.322   3.982   6.134
  181   2HA   GLY  30          HA1       GLY  30  -1.245   3.060   4.632
  182    H    LEU  31           H        LEU  31   1.059   4.127   6.011
  183    HA   LEU  31           HA       LEU  31   1.909   6.573   4.794
  184   1HB   LEU  31          HB2       LEU  31   4.097   6.062   5.597
  185   2HB   LEU  31          HB1       LEU  31   2.963   5.571   6.830
  186    HG   LEU  31           HG       LEU  31   4.454   3.791   6.771
  187   1HD1  LEU  31          1HD1      LEU  31   3.378   1.909   5.493
  188   2HD1  LEU  31          2HD1      LEU  31   2.263   3.091   4.839
  189   3HD1  LEU  31          3HD1      LEU  31   2.297   2.792   6.570
  190   1HD2  LEU  31          1HD2      LEU  31   5.479   2.859   4.805
  191   2HD2  LEU  31          2HD2      LEU  31   5.685   4.610   4.759
  192   3HD2  LEU  31          3HD2      LEU  31   4.468   3.832   3.749
  193    H    CYS  32           H        CYS  32   1.346   3.576   3.405
  194    HA   CYS  32           HA       CYS  32   2.986   4.377   1.059
  195   1HB   CYS  32          HB2       CYS  32   3.225   1.944   2.650
  196   2HB   CYS  32          HB1       CYS  32   2.922   1.602   0.945
  197    H    CYS  33           H        CYS  33   0.436   5.115   1.144
  198    HA   CYS  33           HA       CYS  33  -0.935   3.146  -0.634
  199   1HB   CYS  33          HB2       CYS  33  -2.146   4.897   1.526
  200   2HB   CYS  33          HB1       CYS  33  -3.091   4.001   0.340
  201    H    GLU  34           H        GLU  34  -0.270   4.245  -2.519
  202    HA   GLU  34           HA       GLU  34  -0.964   7.117  -2.759
  203   1HB   GLU  34          HB2       GLU  34   1.265   6.451  -3.549
  204   2HB   GLU  34          HB1       GLU  34   0.542   5.254  -4.623
  205   1HG   GLU  34          HG2       GLU  34  -0.344   6.874  -6.055
  206   2HG   GLU  34          HG1       GLU  34  -0.302   8.132  -4.817
  207    H    GLN  35           H        GLN  35  -2.892   7.631  -3.650
  208    HA   GLN  35           HA       GLN  35  -4.792   7.491  -5.015
  209   1HB   GLN  35          HB2       GLN  35  -3.070   6.777  -6.763
  210   2HB   GLN  35          HB1       GLN  35  -3.485   5.112  -6.354
  211   1HG   GLN  35          HG2       GLN  35  -4.932   5.556  -8.140
  212   2HG   GLN  35          HG1       GLN  35  -5.948   5.897  -6.740
  213   1HE2  GLN  35          1HE2      GLN  35  -7.243   7.506  -7.851
  214   2HE2  GLN  35          2HE2      GLN  35  -6.603   9.011  -8.310
  215    H    CYS  36           H        CYS  36  -4.197   5.798  -2.539
  216    HA   CYS  36           HA       CYS  36  -5.568   4.379  -1.244
  217   1HB   CYS  36          HB2       CYS  36  -7.256   3.834  -3.682
  218   2HB   CYS  36          HB1       CYS  36  -7.735   3.821  -1.985
  219    H    LYS  37           H        LYS  37  -3.528   3.634  -3.596
  220    HA   LYS  37           HA       LYS  37  -4.059   0.696  -3.427
  221   1HB   LYS  37          HB2       LYS  37  -2.868   2.412  -5.592
  222   2HB   LYS  37          HB1       LYS  37  -2.438   0.704  -5.481
  223   1HG   LYS  37          HG2       LYS  37  -4.537  -0.006  -6.076
  224   2HG   LYS  37          HG1       LYS  37  -5.334   1.361  -5.292
  225   1HD   LYS  37          HD2       LYS  37  -5.407   2.508  -7.227
  226   2HD   LYS  37          HD1       LYS  37  -3.677   2.277  -7.484
  227   1HE   LYS  37          HE2       LYS  37  -5.716   0.116  -8.055
  228   2HE   LYS  37          HE1       LYS  37  -5.188   1.275  -9.272
  229   1HZ   LYS  37          HZ1       LYS  37  -3.344   0.117  -9.587
  230   2HZ   LYS  37          HZ2       LYS  37  -3.929  -1.074  -8.526
  231   3HZ   LYS  37          HZ3       LYS  37  -2.951   0.185  -7.938
  232    H    PHE  38           H        PHE  38  -2.255  -0.662  -2.982
  233    HA   PHE  38           HA       PHE  38  -0.401   0.275  -1.070
  234   1HB   PHE  38          HB2       PHE  38  -0.225  -2.107  -2.935
  235   2HB   PHE  38          HB1       PHE  38   0.845  -1.848  -1.557
  236    HD1  PHE  38           HD1      PHE  38  -0.879  -0.838   0.535
  237    HD2  PHE  38           HD2      PHE  38  -1.685  -3.849  -2.418
  238    HE1  PHE  38           HE1      PHE  38  -2.571  -1.857   2.035
  239    HE2  PHE  38           HE2      PHE  38  -3.378  -4.867  -0.919
  240    HZ   PHE  38           HZ       PHE  38  -3.821  -3.872   1.308
  241    H    SER  39           H        SER  39   1.507   1.372  -1.260
  242    HA   SER  39           HA       SER  39   2.367   2.392  -3.817
  243   1HB   SER  39          HB2       SER  39   4.005   2.288  -1.270
  244   2HB   SER  39          HB1       SER  39   4.166   3.427  -2.603
  245    HG   SER  39           HG       SER  39   2.402   4.461  -1.952
  246    H    ARG  40           H        ARG  40   5.316   1.871  -3.012
  247    HA   ARG  40           HA       ARG  40   5.437  -0.930  -4.056
  248   1HB   ARG  40          HB2       ARG  40   6.484   1.497  -5.198
  249   2HB   ARG  40          HB1       ARG  40   7.822   0.432  -4.759
  250   1HG   ARG  40          HG2       ARG  40   6.982  -1.348  -6.097
  251   2HG   ARG  40          HG1       ARG  40   5.408  -0.571  -6.276
  252   1HD   ARG  40          HD2       ARG  40   7.054   1.361  -7.281
  253   2HD   ARG  40          HD1       ARG  40   7.923  -0.099  -7.755
  254    HE   ARG  40           HE       ARG  40   5.445   0.823  -8.907
  255   1HH1  ARG  40          1HH2      ARG  40   7.538  -1.024 -10.142
  256   2HH1  ARG  40          2HH2      ARG  40   6.635  -2.494 -10.299
  257   1HH2  ARG  40          1HH1      ARG  40   4.113  -1.485  -8.144
  258   2HH2  ARG  40          2HH1      ARG  40   4.694  -2.753  -9.168
  259    H    ALA  41           H        ALA  41   7.466  -2.066  -3.451
  260    HA   ALA  41           HA       ALA  41   8.060  -1.714  -0.645
  261   1HB   ALA  41          HB1       ALA  41   8.281  -3.805  -2.379
  262   2HB   ALA  41          HB2       ALA  41   9.105  -3.742  -0.822
  263   3HB   ALA  41          HB3       ALA  41   9.962  -3.281  -2.292
  264    H    GLY  42           H        GLY  42  10.416  -1.528   0.103
  265   1HA   GLY  42          HA2       GLY  42  12.424  -0.303   0.167
  266   2HA   GLY  42          HA1       GLY  42  12.290  -0.109  -1.584
  267    H    LYS  43           H        LYS  43   9.594   0.778   0.415
  268    HA   LYS  43           HA       LYS  43  10.053   3.623  -0.355
  269   1HB   LYS  43          HB2       LYS  43   7.872   2.793  -0.951
  270   2HB   LYS  43          HB1       LYS  43   7.613   2.152   0.672
  271   1HG   LYS  43          HG2       LYS  43   6.479   4.388   0.135
  272   2HG   LYS  43          HG1       LYS  43   7.436   4.330   1.614
  273   1HD   LYS  43          HD2       LYS  43   8.982   5.795   0.805
  274   2HD   LYS  43          HD1       LYS  43   8.942   5.091  -0.812
  275   1HE   LYS  43          HE2       LYS  43   6.937   6.276  -1.377
  276   2HE   LYS  43          HE1       LYS  43   6.684   6.774   0.295
  277   1HZ   LYS  43          HZ1       LYS  43   9.195   7.527  -1.005
  278   2HZ   LYS  43          HZ2       LYS  43   8.294   8.353   0.174
  279   3HZ   LYS  43          HZ3       LYS  43   7.790   8.367  -1.448
  280    H    ILE  44           H        ILE  44  11.374   4.548   1.158
  281    HA   ILE  44           HA       ILE  44  11.662   3.909   3.863
  282    HB   ILE  44           HB       ILE  44  13.181   5.450   2.767
  283   1HG1  ILE  44          2HG1      ILE  44  13.038   7.398   4.440
  284   2HG1  ILE  44          1HG1      ILE  44  11.594   6.604   5.068
  285   1HG2  ILE  44          1HG2      ILE  44  10.811   6.589   1.775
  286   2HG2  ILE  44          2HG2      ILE  44  12.455   7.152   1.479
  287   3HG2  ILE  44          3HG2      ILE  44  11.518   7.828   2.812
  288   1HD1  ILE  44          1HD1      ILE  44  12.813   4.657   5.699
  289   2HD1  ILE  44          2HD1      ILE  44  13.803   6.017   6.228
  290   3HD1  ILE  44          3HD1      ILE  44  14.221   5.142   4.754
  291    H    CYS  45           H        CYS  45   9.965   3.677   5.246
  292    HA   CYS  45           HA       CYS  45   7.739   5.650   5.185
  293   1HB   CYS  45          HB2       CYS  45   6.662   4.109   6.799
  294   2HB   CYS  45          HB1       CYS  45   7.118   3.289   5.310
  295    H    ARG  46           H        ARG  46  10.572   4.797   6.985
  296    HA   ARG  46           HA       ARG  46  10.210   7.139   8.714
  297   1HB   ARG  46          HB2       ARG  46   9.645   4.417   9.647
  298   2HB   ARG  46          HB1       ARG  46  10.865   5.236  10.622
  299   1HG   ARG  46          HG2       ARG  46   9.293   6.525  11.586
  300   2HG   ARG  46          HG1       ARG  46   8.729   7.072  10.006
  301   1HD   ARG  46          HD2       ARG  46   7.598   4.694   9.917
  302   2HD   ARG  46          HD1       ARG  46   7.758   4.772  11.672
  303    HE   ARG  46           HE       ARG  46   6.146   6.657  10.018
  304   1HH1  ARG  46          1HH1      ARG  46   7.137   7.989  12.466
  305   2HH1  ARG  46          2HH1      ARG  46   5.914   7.609  13.632
  306   1HH2  ARG  46          1HH2      ARG  46   4.566   5.017  11.763
  307   2HH2  ARG  46          2HH2      ARG  46   4.459   5.925  13.235
  308    H    ILE  47           H        ILE  47  12.180   8.061   8.767
  309    HA   ILE  47           HA       ILE  47  14.557   6.320   8.343
  310    HB   ILE  47           HB       ILE  47  14.074   8.282   6.794
  311   1HG1  ILE  47          2HG1      ILE  47  16.321   7.216   7.069
  312   2HG1  ILE  47          1HG1      ILE  47  16.419   8.931   6.667
  313   1HG2  ILE  47          1HG2      ILE  47  13.393   9.756   8.794
  314   2HG2  ILE  47          2HG2      ILE  47  14.404  10.501   7.555
  315   3HG2  ILE  47          3HG2      ILE  47  15.122   9.961   9.072
  316   1HD1  ILE  47          1HD1      ILE  47  16.363   9.110   9.361
  317   2HD1  ILE  47          2HD1      ILE  47  17.863   8.956   8.446
  318   3HD1  ILE  47          3HD1      ILE  47  17.132   7.532   9.190
  319    HA   PRO  48           HA       PRO  48  15.184   7.205  12.710
  320   1HB   PRO  48          HB2       PRO  48  17.020   5.192  13.070
  321   2HB   PRO  48          HB1       PRO  48  15.268   4.931  13.085
  322   1HG   PRO  48          HG2       PRO  48  17.248   4.237  10.969
  323   2HG   PRO  48          HG1       PRO  48  15.677   3.499  11.321
  324   1HD   PRO  48          HD2       PRO  48  16.225   5.343   9.235
  325   2HD   PRO  48          HD1       PRO  48  14.616   4.827   9.785
  326    H    ARG  49           H        ARG  49  16.657   8.677  13.507
  327    HA   ARG  49           HA       ARG  49  19.071   9.248  11.897
  328   1HB   ARG  49          HB2       ARG  49  17.487  11.047  12.812
  329   2HB   ARG  49          HB1       ARG  49  18.178  10.696  14.397
  330   1HG   ARG  49          HG2       ARG  49  19.776  12.205  13.845
  331   2HG   ARG  49          HG1       ARG  49  20.422  10.935  12.804
  332   1HD   ARG  49          HD2       ARG  49  19.868  12.079  10.945
  333   2HD   ARG  49          HD1       ARG  49  18.212  12.299  11.513
  334    HE   ARG  49           HE       ARG  49  20.183  14.335  11.513
  335   1HH1  ARG  49          1HH2      ARG  49  17.107  14.065  12.388
  336   2HH1  ARG  49          2HH2      ARG  49  17.196  14.935  13.885
  337   1HH2  ARG  49          1HH1      ARG  49  20.663  14.934  13.980
  338   2HH2  ARG  49          2HH1      ARG  49  19.211  15.426  14.786
  339    H    GLY  50           H        GLY  50  21.178   9.006  12.692
  340   1HA   GLY  50          HA2       GLY  50  22.618   8.726  14.746
  341   2HA   GLY  50          HA1       GLY  50  21.401   7.584  15.317
  342    H    ASP  51           H        ASP  51  21.755   5.463  14.843
  343    HA   ASP  51           HA       ASP  51  23.373   4.784  12.442
  344   1HB   ASP  51          HB2       ASP  51  23.899   3.623  15.195
  345   2HB   ASP  51          HB1       ASP  51  24.779   3.255  13.711
  346    H    MET  52           H        MET  52  20.641   4.527  12.559
  347    HA   MET  52           HA       MET  52  20.222   1.613  13.094
  348   1HB   MET  52          HB2       MET  52  18.595   3.995  13.604
  349   2HB   MET  52          HB1       MET  52  17.709   2.739  12.739
  350   1HG   MET  52          HG2       MET  52  17.372   1.914  14.843
  351   2HG   MET  52          HG1       MET  52  18.975   1.223  14.597
  352   1HE   MET  52          HE1       MET  52  20.247   1.367  17.170
  353   2HE   MET  52          HE2       MET  52  18.536   0.977  17.000
  354   3HE   MET  52          HE3       MET  52  19.053   2.120  18.235
  355    HA   PRO  53           HA       PRO  53  19.352   0.989   8.834
  356   1HB   PRO  53          HB2       PRO  53  17.318  -0.856   8.971
  357   2HB   PRO  53          HB1       PRO  53  19.010  -1.237   9.329
  358   1HG   PRO  53          HG2       PRO  53  16.727  -0.882  11.215
  359   2HG   PRO  53          HG1       PRO  53  18.206  -1.838  11.410
  360   1HD   PRO  53          HD2       PRO  53  17.707   0.698  12.561
  361   2HD   PRO  53          HD1       PRO  53  19.285  -0.114  12.468
  362    H    ASP  54           H        ASP  54  17.756   1.398   7.127
  363    HA   ASP  54           HA       ASP  54  15.702   3.351   7.979
  364   1HB   ASP  54          HB2       ASP  54  16.355   2.560   5.138
  365   2HB   ASP  54          HB1       ASP  54  15.653   4.071   5.717
  366    H    ASP  55           H        ASP  55  13.557   2.871   8.009
  367    HA   ASP  55           HA       ASP  55  12.711   0.140   7.333
  368   1HB   ASP  55          HB2       ASP  55  11.935   1.728   9.315
  369   2HB   ASP  55          HB1       ASP  55  10.783   2.298   8.110
  370    H    ARG  56           H        ARG  56  11.641  -0.421   5.463
  371    HA   ARG  56           HA       ARG  56  10.569   1.775   3.748
  372   1HB   ARG  56          HB2       ARG  56  12.182  -0.565   2.718
  373   2HB   ARG  56          HB1       ARG  56  11.568   0.796   1.783
  374   1HG   ARG  56          HG2       ARG  56  12.946   2.215   3.540
  375   2HG   ARG  56          HG1       ARG  56  13.847   0.709   3.723
  376   1HD   ARG  56          HD2       ARG  56  14.114   0.657   1.215
  377   2HD   ARG  56          HD1       ARG  56  13.406   2.273   1.166
  378    HE   ARG  56           HE       ARG  56  15.387   2.816   2.818
  379   1HH1  ARG  56          1HH2      ARG  56  16.520   0.026   2.256
  380   2HH1  ARG  56          2HH2      ARG  56  17.712   0.394   1.053
  381   1HH2  ARG  56          1HH1      ARG  56  16.435   3.544   0.375
  382   2HH2  ARG  56          2HH1      ARG  56  17.663   2.385  -0.012
  383    H    CYS  57           H        CYS  57   8.716   1.241   2.591
  384    HA   CYS  57           HA       CYS  57   7.055  -0.849   3.582
  385   1HB   CYS  57          HB2       CYS  57   6.880   0.437   0.844
  386   2HB   CYS  57          HB1       CYS  57   5.575  -0.344   1.729
  387    H    THR  58           H        THR  58   6.316  -2.763   2.401
  388    HA   THR  58           HA       THR  58   8.550  -4.071   0.964
  389    HB   THR  58           HB       THR  58   7.315  -6.151   1.362
  390    HG1  THR  58           HG1      THR  58   5.329  -4.315   1.986
  391   1HG2  THR  58          1HG2      THR  58   6.978  -5.636   4.007
  392   2HG2  THR  58          2HG2      THR  58   7.978  -4.261   3.539
  393   3HG2  THR  58          3HG2      THR  58   8.553  -5.903   3.259
  394    H    GLY  59           H        GLY  59   5.935  -2.237   0.143
  395   1HA   GLY  59          HA2       GLY  59   5.178  -1.834  -2.083
  396   2HA   GLY  59          HA1       GLY  59   5.915  -3.354  -2.584
  397    H    GLN  60           H        GLN  60   4.565  -4.717  -0.217
  398    HA   GLN  60           HA       GLN  60   1.886  -4.955  -1.514
  399   1HB   GLN  60          HB2       GLN  60   3.230  -6.967   0.306
  400   2HB   GLN  60          HB1       GLN  60   1.807  -7.220  -0.702
  401   1HG   GLN  60          HG2       GLN  60   3.131  -6.938  -2.725
  402   2HG   GLN  60          HG1       GLN  60   4.559  -6.534  -1.771
  403   1HE2  GLN  60          1HE2      GLN  60   5.464  -8.306  -0.377
  404   2HE2  GLN  60          2HE2      GLN  60   5.195  -9.924  -0.810
  405    H    SER  61           H        SER  61   3.474  -3.891   1.327
  406    HA   SER  61           HA       SER  61   0.960  -4.183   2.915
  407   1HB   SER  61          HB2       SER  61   3.771  -3.460   3.790
  408   2HB   SER  61          HB1       SER  61   2.380  -3.582   4.864
  409    HG   SER  61           HG       SER  61   3.253  -5.674   3.159
  410    H    ALA  62           H        ALA  62  -0.263  -2.399   3.372
  411    HA   ALA  62           HA       ALA  62   0.474   0.172   2.187
  412   1HB   ALA  62          HB1       ALA  62  -1.817   0.005   2.099
  413   2HB   ALA  62          HB2       ALA  62  -1.693   0.778   3.678
  414   3HB   ALA  62          HB3       ALA  62  -1.907  -0.969   3.566
  415    H    ASP  63           H        ASP  63   0.070  -1.105   5.496
  416    HA   ASP  63           HA       ASP  63   0.949   1.421   6.683
  417   1HB   ASP  63          HB2       ASP  63   1.000  -1.147   8.220
  418   2HB   ASP  63          HB1       ASP  63   0.457   0.451   8.729
  419    H    CYS  64           H        CYS  64   2.986   1.643   7.865
  420    HA   CYS  64           HA       CYS  64   5.143   0.193   6.498
  421   1HB   CYS  64          HB2       CYS  64   5.718   2.419   6.634
  422   2HB   CYS  64          HB1       CYS  64   4.969   2.646   8.203
  423    HA   PRO  65           HA       PRO  65   5.331  -2.674   9.854
  424   1HB   PRO  65          HB2       PRO  65   7.281  -4.194   8.681
  425   2HB   PRO  65          HB1       PRO  65   5.573  -4.322   8.263
  426   1HG   PRO  65          HG2       PRO  65   7.816  -3.107   6.733
  427   2HG   PRO  65          HG1       PRO  65   6.278  -3.757   6.141
  428   1HD   PRO  65          HD2       PRO  65   6.911  -1.022   6.478
  429   2HD   PRO  65          HD1       PRO  65   5.295  -1.698   6.185
  430    H    ARG  66           H        ARG  66   7.734  -3.918  10.542
  431    HA   ARG  66           HA       ARG  66   9.653  -1.697  11.062
  432   1HB   ARG  66          HB2       ARG  66   8.563  -3.611  13.152
  433   2HB   ARG  66          HB1       ARG  66   9.861  -2.448  13.419
  434   1HG   ARG  66          HG2       ARG  66   7.442  -1.273  12.226
  435   2HG   ARG  66          HG1       ARG  66   7.192  -1.935  13.843
  436   1HD   ARG  66          HD2       ARG  66   8.903  -0.559  14.777
  437   2HD   ARG  66          HD1       ARG  66   9.515  -0.114  13.183
  438    HE   ARG  66           HE       ARG  66   7.975   1.655  13.280
  439   1HH1  ARG  66          1HH2      ARG  66   5.728  -0.373  12.855
  440   2HH1  ARG  66          2HH2      ARG  66   4.677   0.017  14.174
  441   1HH2  ARG  66          1HH1      ARG  66   7.069   1.853  15.884
  442   2HH2  ARG  66          2HH1      ARG  66   5.435   1.277  15.890
  443    H    TYR  67           H        TYR  67  11.607  -2.917  12.393
  444    HA   TYR  67           HA       TYR  67  12.222  -5.367  10.787
  445   1HB   TYR  67          HB2       TYR  67  13.526  -3.032  10.495
  446   2HB   TYR  67          HB1       TYR  67  14.446  -3.691  11.848
  447    HD1  TYR  67           HD2      TYR  67  13.184  -4.525   8.430
  448    HD2  TYR  67           HD1      TYR  67  16.071  -5.363  11.499
  449    HE1  TYR  67           HE2      TYR  67  14.408  -6.017   6.872
  450    HE2  TYR  67           HE1      TYR  67  17.296  -6.854   9.941
  451    HH   TYR  67           HH       TYR  67  16.203  -8.229   7.476
  452    H    HIS  68           H        HIS  68  11.003  -6.018  13.022
  453    HA   HIS  68           HA       HIS  68  13.195  -6.656  14.957
  454   1HB   HIS  68          HB2       HIS  68  11.445  -5.018  15.801
  455   2HB   HIS  68          HB1       HIS  68  10.270  -6.328  15.669
  456    HD1  HIS  68           HD1      HIS  68  13.737  -7.224  16.669
  457    HD2  HIS  68           HD2      HIS  68  10.115  -6.403  18.565
  458    HE1  HIS  68           HE1      HIS  68  13.998  -7.985  19.070
  Start of MODEL    2
    1   1H    GLY   1          HT1       GLY   1 -12.280 -12.401   9.790
    2   2H    GLY   1          HT2       GLY   1 -10.621 -12.034   9.811
    3   3H    GLY   1          HT3       GLY   1 -11.211 -13.259   8.792
    4   1HA   GLY   1          HA1       GLY   1 -10.761 -11.316   7.481
    5   2HA   GLY   1          HA2       GLY   1 -12.501 -11.596   7.554
    6    H    LYS   2           H        LYS   2 -10.327  -9.175   7.693
    7    HA   LYS   2           HA       LYS   2 -11.517  -7.689   9.945
    8   1HB   LYS   2          HB2       LYS   2  -9.084  -7.544   8.392
    9   2HB   LYS   2          HB1       LYS   2  -9.890  -5.974   8.397
   10   1HG   LYS   2          HG2       LYS   2  -9.331  -5.618  10.548
   11   2HG   LYS   2          HG1       LYS   2  -9.997  -7.179  11.030
   12   1HD   LYS   2          HD2       LYS   2  -7.601  -7.102  11.544
   13   2HD   LYS   2          HD1       LYS   2  -7.906  -8.285  10.271
   14   1HE   LYS   2          HE2       LYS   2  -7.365  -6.468   8.589
   15   2HE   LYS   2          HE1       LYS   2  -6.827  -5.475   9.945
   16   1HZ   LYS   2          HZ1       LYS   2  -5.700  -8.057  10.127
   17   2HZ   LYS   2          HZ2       LYS   2  -4.913  -6.557   9.992
   18   3HZ   LYS   2          HZ3       LYS   2  -5.376  -7.406   8.595
   19    H    GLU   3           H        GLU   3 -13.258  -6.378   9.687
   20    HA   GLU   3           HA       GLU   3 -14.286  -5.888   6.967
   21   1HB   GLU   3          HB2       GLU   3 -15.390  -5.161   9.701
   22   2HB   GLU   3          HB1       GLU   3 -16.231  -4.897   8.172
   23   1HG   GLU   3          HG2       GLU   3 -16.571  -7.170   7.807
   24   2HG   GLU   3          HG1       GLU   3 -15.196  -7.640   8.808
   25    H    CYS   4           H        CYS   4 -11.950  -4.442   8.689
   26    HA   CYS   4           HA       CYS   4 -12.781  -1.699   7.839
   27   1HB   CYS   4          HB2       CYS   4 -11.510  -2.715  10.269
   28   2HB   CYS   4          HB1       CYS   4 -10.583  -1.409   9.530
   29    H    ASP   5           H        ASP   5 -11.889  -1.483   5.810
   30    HA   ASP   5           HA       ASP   5  -9.183  -2.548   5.291
   31   1HB   ASP   5          HB2       ASP   5 -11.389  -2.360   3.701
   32   2HB   ASP   5          HB1       ASP   5 -10.518  -0.901   3.225
   33    H    CYS   6           H        CYS   6 -10.483   0.273   6.546
   34    HA   CYS   6           HA       CYS   6  -7.943   1.703   6.010
   35   1HB   CYS   6          HB2       CYS   6  -8.993   3.704   5.237
   36   2HB   CYS   6          HB1       CYS   6  -9.705   2.397   4.295
   37    H    SER   7           H        SER   7  -7.304   2.958   7.757
   38    HA   SER   7           HA       SER   7  -8.951   2.705  10.198
   39   1HB   SER   7          HB2       SER   7  -6.468   2.259  10.208
   40   2HB   SER   7          HB1       SER   7  -6.214   3.969   9.873
   41    HG   SER   7           HG       SER   7  -7.587   4.296  11.809
   42    H    SER   8           H        SER   8  -8.760   4.855   7.675
   43    HA   SER   8           HA       SER   8  -9.303   7.213   9.413
   44   1HB   SER   8          HB2       SER   8  -8.821   7.202   6.427
   45   2HB   SER   8          HB1       SER   8  -8.783   8.589   7.513
   46    HG   SER   8           HG       SER   8  -6.733   8.129   7.632
   47    HA   PRO   9           HA       PRO   9 -13.550   6.575   8.196
   48   1HB   PRO   9          HB2       PRO   9 -14.558   8.646   9.694
   49   2HB   PRO   9          HB1       PRO   9 -14.126   7.066  10.373
   50   1HG   PRO   9          HG2       PRO   9 -12.680   9.664  10.599
   51   2HG   PRO   9          HG1       PRO   9 -12.667   8.274  11.696
   52   1HD   PRO   9          HD2       PRO   9 -10.646   8.936   9.821
   53   2HD   PRO   9          HD1       PRO   9 -10.799   7.398  10.698
   54    H    GLU  10           H        GLU  10 -12.092   9.838   8.277
   55    HA   GLU  10           HA       GLU  10 -13.987  10.992   6.427
   56   1HB   GLU  10          HB2       GLU  10 -12.094  12.027   8.087
   57   2HB   GLU  10          HB1       GLU  10 -11.260  12.145   6.537
   58   1HG   GLU  10          HG2       GLU  10 -13.925  12.976   6.067
   59   2HG   GLU  10          HG1       GLU  10 -13.410  13.776   7.553
   60    H    ASN  11           H        ASN  11 -11.437   8.796   6.018
   61    HA   ASN  11           HA       ASN  11 -10.406   9.593   3.476
   62   1HB   ASN  11          HB2       ASN  11  -9.213   7.912   4.685
   63   2HB   ASN  11          HB1       ASN  11 -10.652   6.899   4.829
   64   1HD2  ASN  11          1HD2      ASN  11  -9.582   5.105   3.706
   65   2HD2  ASN  11          2HD2      ASN  11  -9.311   5.162   2.032
   66    HA   PRO  12           HA       PRO  12 -14.202   8.704   1.259
   67   1HB   PRO  12          HB2       PRO  12 -13.341   9.794  -1.113
   68   2HB   PRO  12          HB1       PRO  12 -13.972  10.756   0.236
   69   1HG   PRO  12          HG2       PRO  12 -11.154  10.433  -0.684
   70   2HG   PRO  12          HG1       PRO  12 -11.904  11.785   0.182
   71   1HD   PRO  12          HD2       PRO  12 -10.266   9.784   1.334
   72   2HD   PRO  12          HD1       PRO  12 -11.284  10.938   2.221
   73    H    CYS  13           H        CYS  13 -11.005   7.555   0.666
   74    HA   CYS  13           HA       CYS  13 -11.696   5.948  -1.675
   75   1HB   CYS  13          HB2       CYS  13  -9.291   6.626  -0.176
   76   2HB   CYS  13          HB1       CYS  13  -9.347   4.912  -0.583
   77    H    CYS  14           H        CYS  14 -12.664   5.672   1.431
   78    HA   CYS  14           HA       CYS  14 -12.989   2.748   1.135
   79   1HB   CYS  14          HB2       CYS  14 -12.105   2.187   3.265
   80   2HB   CYS  14          HB1       CYS  14 -10.907   3.253   2.536
   81    H    ASP  15           H        ASP  15 -15.043   2.195   1.618
   82    HA   ASP  15           HA       ASP  15 -17.065   4.026   2.254
   83   1HB   ASP  15          HB2       ASP  15 -17.233   1.551   1.475
   84   2HB   ASP  15          HB1       ASP  15 -17.206   1.166   3.196
   85    H    ALA  16           H        ALA  16 -17.546   5.109   4.091
   86    HA   ALA  16           HA       ALA  16 -16.034   4.721   6.518
   87   1HB   ALA  16          HB1       ALA  16 -17.598   6.404   7.470
   88   2HB   ALA  16          HB2       ALA  16 -18.584   6.285   6.012
   89   3HB   ALA  16          HB3       ALA  16 -16.941   6.920   5.916
   90    H    ALA  17           H        ALA  17 -19.341   3.872   5.518
   91    HA   ALA  17           HA       ALA  17 -20.170   2.818   8.052
   92   1HB   ALA  17          HB1       ALA  17 -22.041   2.961   6.762
   93   2HB   ALA  17          HB2       ALA  17 -21.591   1.339   6.234
   94   3HB   ALA  17          HB3       ALA  17 -21.138   2.741   5.263
   95    H    THR  18           H        THR  18 -19.214   1.002   5.105
   96    HA   THR  18           HA       THR  18 -18.815  -1.436   6.634
   97    HB   THR  18           HB       THR  18 -18.342  -2.456   4.588
   98    HG1  THR  18           HG1      THR  18 -17.656  -0.858   2.815
   99   1HG2  THR  18          1HG2      THR  18 -20.532  -1.032   4.648
  100   2HG2  THR  18          2HG2      THR  18 -19.999  -1.709   3.110
  101   3HG2  THR  18          3HG2      THR  18 -19.696  -0.011   3.479
  102    H    CYS  19           H        CYS  19 -16.964   1.366   6.199
  103    HA   CYS  19           HA       CYS  19 -14.727   1.874   6.715
  104   1HB   CYS  19          HB2       CYS  19 -15.415   0.857   8.872
  105   2HB   CYS  19          HB1       CYS  19 -14.956  -0.730   8.259
  106    H    LYS  20           H        LYS  20 -15.305   0.282   4.300
  107    HA   LYS  20           HA       LYS  20 -12.626  -1.012   4.053
  108   1HB   LYS  20          HB2       LYS  20 -15.317  -2.156   3.510
  109   2HB   LYS  20          HB1       LYS  20 -14.047  -2.530   2.344
  110   1HG   LYS  20          HG2       LYS  20 -12.811  -2.856   4.828
  111   2HG   LYS  20          HG1       LYS  20 -14.421  -3.541   5.055
  112   1HD   LYS  20          HD2       LYS  20 -12.713  -4.217   2.653
  113   2HD   LYS  20          HD1       LYS  20 -12.620  -5.133   4.158
  114   1HE   LYS  20          HE2       LYS  20 -15.378  -4.702   3.291
  115   2HE   LYS  20          HE1       LYS  20 -14.427  -5.584   2.095
  116   1HZ   LYS  20          HZ1       LYS  20 -13.948  -7.265   3.596
  117   2HZ   LYS  20          HZ2       LYS  20 -15.571  -6.901   3.945
  118   3HZ   LYS  20          HZ3       LYS  20 -14.332  -6.319   4.951
  119    H    LEU  21           H        LEU  21 -11.794  -1.022   1.846
  120    HA   LEU  21           HA       LEU  21 -11.936   1.382   0.470
  121   1HB   LEU  21          HB2       LEU  21 -11.251  -1.409  -0.386
  122   2HB   LEU  21          HB1       LEU  21 -11.340  -0.134  -1.604
  123    HG   LEU  21           HG       LEU  21  -9.899   0.764   0.755
  124   1HD1  LEU  21          1HD1      LEU  21  -9.467  -1.825   0.605
  125   2HD1  LEU  21          2HD1      LEU  21  -8.101  -0.728   0.817
  126   3HD1  LEU  21          3HD1      LEU  21  -8.463  -1.386  -0.778
  127   1HD2  LEU  21          1HD2      LEU  21  -9.768   0.840  -2.171
  128   2HD2  LEU  21          2HD2      LEU  21  -8.178   0.714  -1.420
  129   3HD2  LEU  21          3HD2      LEU  21  -9.250   2.047  -0.996
  130    H    ARG  22           H        ARG  22 -13.571   2.383  -0.580
  131    HA   ARG  22           HA       ARG  22 -15.988   0.873  -1.295
  132   1HB   ARG  22          HB2       ARG  22 -15.536   3.459  -0.428
  133   2HB   ARG  22          HB1       ARG  22 -15.859   3.678  -2.149
  134   1HG   ARG  22          HG2       ARG  22 -17.783   1.845  -1.443
  135   2HG   ARG  22          HG1       ARG  22 -17.682   2.847   0.006
  136   1HD   ARG  22          HD2       ARG  22 -18.086   4.857  -1.275
  137   2HD   ARG  22          HD1       ARG  22 -17.973   3.969  -2.794
  138    HE   ARG  22           HE       ARG  22 -20.192   3.217  -2.462
  139   1HH1  ARG  22          1HH1      ARG  22 -19.828   5.760  -0.485
  140   2HH1  ARG  22          2HH1      ARG  22 -20.871   5.217   0.788
  141   1HH2  ARG  22          1HH2      ARG  22 -21.121   1.982  -0.439
  142   2HH2  ARG  22          2HH2      ARG  22 -21.604   3.078   0.812
  143    HA   PRO  23           HA       PRO  23 -14.651   2.338  -5.635
  144   1HB   PRO  23          HB2       PRO  23 -12.234   3.623  -5.868
  145   2HB   PRO  23          HB1       PRO  23 -13.762   4.462  -5.552
  146   1HG   PRO  23          HG2       PRO  23 -11.505   3.918  -3.690
  147   2HG   PRO  23          HG1       PRO  23 -12.739   5.186  -3.616
  148   1HD   PRO  23          HD2       PRO  23 -12.687   2.776  -2.101
  149   2HD   PRO  23          HD1       PRO  23 -14.028   3.937  -2.194
  150    H    GLY  24           H        GLY  24 -12.353   2.014  -7.108
  151   1HA   GLY  24          HA2       GLY  24 -11.589  -0.758  -6.439
  152   2HA   GLY  24          HA1       GLY  24 -11.252   0.069  -7.959
  153    H    ALA  25           H        ALA  25 -10.423   0.421  -4.490
  154    HA   ALA  25           HA       ALA  25  -7.631   1.057  -5.363
  155   1HB   ALA  25          HB1       ALA  25  -9.413   2.277  -3.307
  156   2HB   ALA  25          HB2       ALA  25  -8.184   3.034  -4.319
  157   3HB   ALA  25          HB3       ALA  25  -7.707   2.118  -2.890
  158    H    GLN  26           H        GLN  26  -5.973  -0.111  -4.350
  159    HA   GLN  26           HA       GLN  26  -6.729  -2.567  -3.010
  160   1HB   GLN  26          HB2       GLN  26  -4.408  -1.541  -4.264
  161   2HB   GLN  26          HB1       GLN  26  -3.952  -1.882  -2.595
  162   1HG   GLN  26          HG2       GLN  26  -3.830  -4.066  -3.126
  163   2HG   GLN  26          HG1       GLN  26  -5.568  -4.049  -3.423
  164   1HE2  GLN  26          1HE2      GLN  26  -3.788  -5.688  -4.979
  165   2HE2  GLN  26          2HE2      GLN  26  -3.780  -5.098  -6.571
  166    H    CYS  27           H        CYS  27  -5.706   0.621  -1.983
  167    HA   CYS  27           HA       CYS  27  -6.253  -0.188   0.827
  168   1HB   CYS  27          HB2       CYS  27  -4.297   1.222   1.549
  169   2HB   CYS  27          HB1       CYS  27  -3.836  -0.237   0.670
  170    H    GLY  28           H        GLY  28  -6.902   1.642   2.168
  171   1HA   GLY  28          HA2       GLY  28  -8.024   3.853   0.517
  172   2HA   GLY  28          HA1       GLY  28  -8.642   3.360   2.092
  173    H    GLU  29           H        GLU  29  -5.728   3.159   3.020
  174    HA   GLU  29           HA       GLU  29  -4.689   5.863   2.871
  175   1HB   GLU  29          HB2       GLU  29  -5.139   6.544   5.152
  176   2HB   GLU  29          HB1       GLU  29  -6.672   6.151   4.381
  177   1HG   GLU  29          HG2       GLU  29  -7.031   4.809   6.168
  178   2HG   GLU  29          HG1       GLU  29  -5.881   3.712   5.401
  179    H    GLY  30           H        GLY  30  -2.756   6.103   4.301
  180   1HA   GLY  30          HA2       GLY  30  -1.546   4.341   5.987
  181   2HA   GLY  30          HA1       GLY  30  -1.300   3.555   4.429
  182    H    LEU  31           H        LEU  31   1.047   4.071   5.234
  183    HA   LEU  31           HA       LEU  31   1.789   6.864   4.533
  184   1HB   LEU  31          HB2       LEU  31   4.138   5.799   5.316
  185   2HB   LEU  31          HB1       LEU  31   2.998   6.536   6.439
  186    HG   LEU  31           HG       LEU  31   1.976   4.282   6.791
  187   1HD1  LEU  31          1HD1      LEU  31   4.051   2.595   5.962
  188   2HD1  LEU  31          2HD1      LEU  31   3.789   3.671   4.605
  189   3HD1  LEU  31          3HD1      LEU  31   2.459   2.713   5.239
  190   1HD2  LEU  31          1HD2      LEU  31   3.855   5.313   8.193
  191   2HD2  LEU  31          2HD2      LEU  31   4.945   4.236   7.329
  192   3HD2  LEU  31          3HD2      LEU  31   3.651   3.570   8.323
  193    H    CYS  32           H        CYS  32   1.991   3.581   3.460
  194    HA   CYS  32           HA       CYS  32   3.712   4.470   1.184
  195   1HB   CYS  32          HB2       CYS  32   3.365   1.725   2.413
  196   2HB   CYS  32          HB1       CYS  32   4.274   2.040   0.933
  197    H    CYS  33           H        CYS  33   1.154   5.159   0.882
  198    HA   CYS  33           HA       CYS  33   0.209   3.266  -1.196
  199   1HB   CYS  33          HB2       CYS  33  -1.115   3.776   1.359
  200   2HB   CYS  33          HB1       CYS  33  -2.156   4.154  -0.013
  201    H    GLU  34           H        GLU  34  -0.028   4.470  -3.009
  202    HA   GLU  34           HA       GLU  34  -0.720   7.357  -2.693
  203   1HB   GLU  34          HB2       GLU  34   0.914   5.875  -4.756
  204   2HB   GLU  34          HB1       GLU  34   0.272   7.488  -5.070
  205   1HG   GLU  34          HG2       GLU  34   1.563   8.471  -3.377
  206   2HG   GLU  34          HG1       GLU  34   1.814   6.936  -2.547
  207    H    GLN  35           H        GLN  35  -2.538   8.105  -3.742
  208    HA   GLN  35           HA       GLN  35  -4.556   8.004  -4.929
  209   1HB   GLN  35          HB2       GLN  35  -3.083   7.640  -6.871
  210   2HB   GLN  35          HB1       GLN  35  -3.038   5.912  -6.519
  211   1HG   GLN  35          HG2       GLN  35  -5.079   5.557  -7.437
  212   2HG   GLN  35          HG1       GLN  35  -5.762   6.998  -6.682
  213   1HE2  GLN  35          1HE2      GLN  35  -6.750   7.868  -8.600
  214   2HE2  GLN  35          2HE2      GLN  35  -5.844   8.403  -9.932
  215    H    CYS  36           H        CYS  36  -3.872   6.116  -2.645
  216    HA   CYS  36           HA       CYS  36  -5.102   4.496  -1.464
  217   1HB   CYS  36          HB2       CYS  36  -6.970   4.359  -3.836
  218   2HB   CYS  36          HB1       CYS  36  -7.324   3.987  -2.149
  219    H    LYS  37           H        LYS  37  -2.962   3.913  -3.449
  220    HA   LYS  37           HA       LYS  37  -3.702   1.063  -3.966
  221   1HB   LYS  37          HB2       LYS  37  -2.058   2.894  -5.740
  222   2HB   LYS  37          HB1       LYS  37  -2.290   1.166  -6.012
  223   1HG   LYS  37          HG2       LYS  37  -4.739   2.823  -5.621
  224   2HG   LYS  37          HG1       LYS  37  -3.878   3.001  -7.151
  225   1HD   LYS  37          HD2       LYS  37  -4.570   0.280  -6.040
  226   2HD   LYS  37          HD1       LYS  37  -5.705   1.186  -7.043
  227   1HE   LYS  37          HE2       LYS  37  -4.281   1.134  -8.918
  228   2HE   LYS  37          HE1       LYS  37  -2.863   0.749  -7.944
  229   1HZ   LYS  37          HZ1       LYS  37  -4.642  -1.280  -7.452
  230   2HZ   LYS  37          HZ2       LYS  37  -3.258  -1.363  -8.435
  231   3HZ   LYS  37          HZ3       LYS  37  -4.773  -1.007  -9.120
  232    H    PHE  38           H        PHE  38  -2.183  -0.416  -3.294
  233    HA   PHE  38           HA       PHE  38  -0.230   0.215  -1.391
  234   1HB   PHE  38          HB2       PHE  38  -0.339  -2.086  -3.358
  235   2HB   PHE  38          HB1       PHE  38   0.817  -2.000  -2.030
  236    HD1  PHE  38           HD2      PHE  38  -0.782  -0.790   0.123
  237    HD2  PHE  38           HD1      PHE  38  -1.853  -3.792  -2.755
  238    HE1  PHE  38           HE2      PHE  38  -2.494  -1.674   1.684
  239    HE2  PHE  38           HE1      PHE  38  -3.566  -4.677  -1.195
  240    HZ   PHE  38           HZ       PHE  38  -3.886  -3.618   1.025
  241    H    SER  39           H        SER  39   1.626   1.369  -1.576
  242    HA   SER  39           HA       SER  39   2.685   2.222  -4.105
  243   1HB   SER  39          HB2       SER  39   4.157   2.124  -1.456
  244   2HB   SER  39          HB1       SER  39   4.506   3.176  -2.827
  245    HG   SER  39           HG       SER  39   2.428   4.106  -2.510
  246    H    ARG  40           H        ARG  40   5.544   1.671  -3.346
  247    HA   ARG  40           HA       ARG  40   5.599  -1.201  -4.188
  248   1HB   ARG  40          HB2       ARG  40   7.502   1.062  -4.878
  249   2HB   ARG  40          HB1       ARG  40   7.787  -0.631  -5.283
  250   1HG   ARG  40          HG2       ARG  40   5.949  -0.709  -6.767
  251   2HG   ARG  40          HG1       ARG  40   5.242   0.765  -6.103
  252   1HD   ARG  40          HD2       ARG  40   6.317   1.951  -7.684
  253   2HD   ARG  40          HD1       ARG  40   7.852   1.446  -6.975
  254    HE   ARG  40           HE       ARG  40   7.076   0.641  -9.497
  255   1HH1  ARG  40          1HH1      ARG  40   9.385  -0.446  -7.696
  256   2HH1  ARG  40          2HH1      ARG  40   9.106  -2.149  -7.855
  257   1HH2  ARG  40          1HH2      ARG  40   5.927  -1.770  -9.189
  258   2HH2  ARG  40          2HH2      ARG  40   7.147  -2.898  -8.700
  259    H    ALA  41           H        ALA  41   7.354  -2.481  -3.290
  260    HA   ALA  41           HA       ALA  41   7.892  -1.986  -0.528
  261   1HB   ALA  41          HB1       ALA  41   9.050  -3.998  -0.563
  262   2HB   ALA  41          HB2       ALA  41   9.749  -3.686  -2.152
  263   3HB   ALA  41          HB3       ALA  41   8.063  -4.186  -2.012
  264    H    GLY  42           H        GLY  42  10.233  -1.853   0.329
  265   1HA   GLY  42          HA2       GLY  42  12.260  -0.654   0.446
  266   2HA   GLY  42          HA1       GLY  42  12.196  -0.498  -1.312
  267    H    LYS  43           H        LYS  43   9.380   0.446   0.424
  268    HA   LYS  43           HA       LYS  43   9.795   3.243  -0.413
  269   1HB   LYS  43          HB2       LYS  43   7.601   2.410  -0.831
  270   2HB   LYS  43          HB1       LYS  43   7.468   1.735   0.793
  271   1HG   LYS  43          HG2       LYS  43   6.196   3.886   0.479
  272   2HG   LYS  43          HG1       LYS  43   7.393   3.945   1.774
  273   1HD   LYS  43          HD2       LYS  43   9.014   4.957   0.141
  274   2HD   LYS  43          HD1       LYS  43   7.703   5.039  -1.035
  275   1HE   LYS  43          HE2       LYS  43   6.660   6.159   1.329
  276   2HE   LYS  43          HE1       LYS  43   8.285   6.826   1.169
  277   1HZ   LYS  43          HZ1       LYS  43   7.476   7.052  -1.324
  278   2HZ   LYS  43          HZ2       LYS  43   7.185   8.259  -0.165
  279   3HZ   LYS  43          HZ3       LYS  43   5.963   7.150  -0.564
  280    H    ILE  44           H        ILE  44  11.135   4.349   0.952
  281    HA   ILE  44           HA       ILE  44  11.606   3.879   3.675
  282    HB   ILE  44           HB       ILE  44  13.015   5.418   2.477
  283   1HG1  ILE  44          2HG1      ILE  44  12.943   7.403   3.973
  284   2HG1  ILE  44          1HG1      ILE  44  11.350   6.898   4.538
  285   1HG2  ILE  44          1HG2      ILE  44  12.212   6.976   1.051
  286   2HG2  ILE  44          2HG2      ILE  44  11.167   7.667   2.291
  287   3HG2  ILE  44          3HG2      ILE  44  10.615   6.287   1.343
  288   1HD1  ILE  44          1HD1      ILE  44  13.417   4.793   4.655
  289   2HD1  ILE  44          2HD1      ILE  44  12.200   5.245   5.851
  290   3HD1  ILE  44          3HD1      ILE  44  13.701   6.164   5.730
  291    H    CYS  45           H        CYS  45   9.850   3.543   5.013
  292    HA   CYS  45           HA       CYS  45   7.631   5.526   4.990
  293   1HB   CYS  45          HB2       CYS  45   6.651   3.947   6.705
  294   2HB   CYS  45          HB1       CYS  45   6.839   3.287   5.083
  295    H    ARG  46           H        ARG  46  10.400   4.561   6.891
  296    HA   ARG  46           HA       ARG  46   9.872   6.854   8.692
  297   1HB   ARG  46          HB2       ARG  46   9.778   4.004   9.465
  298   2HB   ARG  46          HB1       ARG  46  10.781   5.019  10.504
  299   1HG   ARG  46          HG2       ARG  46   8.816   6.645  10.589
  300   2HG   ARG  46          HG1       ARG  46   7.850   5.370   9.844
  301   1HD   ARG  46          HD2       ARG  46   8.649   3.850  11.735
  302   2HD   ARG  46          HD1       ARG  46   9.252   5.308  12.523
  303    HE   ARG  46           HE       ARG  46   6.843   6.138  12.411
  304   1HH1  ARG  46          1HH2      ARG  46   7.596   3.520  14.084
  305   2HH1  ARG  46          2HH2      ARG  46   6.111   2.652  13.885
  306   1HH2  ARG  46          1HH1      ARG  46   4.938   4.712  11.355
  307   2HH2  ARG  46          2HH1      ARG  46   4.606   3.328  12.341
  308    H    ILE  47           H        ILE  47  11.761   7.860   9.329
  309    HA   ILE  47           HA       ILE  47  14.327   6.470   8.681
  310    HB   ILE  47           HB       ILE  47  13.741   8.208   6.966
  311   1HG1  ILE  47          2HG1      ILE  47  15.921   9.444   7.164
  312   2HG1  ILE  47          1HG1      ILE  47  16.116   8.755   8.776
  313   1HG2  ILE  47          1HG2      ILE  47  12.927  10.202   7.615
  314   2HG2  ILE  47          2HG2      ILE  47  14.380  10.512   8.566
  315   3HG2  ILE  47          3HG2      ILE  47  13.015   9.664   9.293
  316   1HD1  ILE  47          1HD1      ILE  47  16.124   6.503   7.874
  317   2HD1  ILE  47          2HD1      ILE  47  17.307   7.460   6.985
  318   3HD1  ILE  47          3HD1      ILE  47  15.739   7.105   6.262
  319    HA   PRO  48           HA       PRO  48  14.206   8.105  13.016
  320   1HB   PRO  48          HB2       PRO  48  14.695   5.679  14.216
  321   2HB   PRO  48          HB1       PRO  48  13.069   6.292  13.867
  322   1HG   PRO  48          HG2       PRO  48  14.612   4.160  12.464
  323   2HG   PRO  48          HG1       PRO  48  12.859   4.371  12.600
  324   1HD   PRO  48          HD2       PRO  48  14.431   5.026  10.343
  325   2HD   PRO  48          HD1       PRO  48  12.757   5.548  10.632
  326    H    ARG  49           H        ARG  49  16.148   9.048  13.487
  327    HA   ARG  49           HA       ARG  49  18.656   7.831  12.581
  328   1HB   ARG  49          HB2       ARG  49  17.754  10.454  13.311
  329   2HB   ARG  49          HB1       ARG  49  19.145  10.042  14.314
  330   1HG   ARG  49          HG2       ARG  49  19.704  11.134  12.085
  331   2HG   ARG  49          HG1       ARG  49  20.510   9.596  12.392
  332   1HD   ARG  49          HD2       ARG  49  19.254   8.460  10.821
  333   2HD   ARG  49          HD1       ARG  49  17.861   9.526  11.012
  334    HE   ARG  49           HE       ARG  49  19.268  11.253   9.749
  335   1HH1  ARG  49          1HH1      ARG  49  18.545   8.232   8.655
  336   2HH1  ARG  49          2HH1      ARG  49  19.799   8.138   7.463
  337   1HH2  ARG  49          1HH2      ARG  49  21.437  10.985   8.577
  338   2HH2  ARG  49          2HH2      ARG  49  21.436   9.695   7.419
  339    H    GLY  50           H        GLY  50  20.442   8.404  14.590
  340   1HA   GLY  50          HA2       GLY  50  21.068   7.862  16.833
  341   2HA   GLY  50          HA1       GLY  50  19.446   7.221  17.103
  342    H    ASP  51           H        ASP  51  22.028   6.483  14.727
  343    HA   ASP  51           HA       ASP  51  22.876   4.404  14.043
  344   1HB   ASP  51          HB2       ASP  51  22.551   4.131  17.025
  345   2HB   ASP  51          HB1       ASP  51  23.109   2.760  16.063
  346    H    MET  52           H        MET  52  19.895   4.888  14.066
  347    HA   MET  52           HA       MET  52  18.907   2.103  14.415
  348   1HB   MET  52          HB2       MET  52  17.505   4.763  14.056
  349   2HB   MET  52          HB1       MET  52  16.651   3.220  13.993
  350   1HG   MET  52          HG2       MET  52  18.387   4.078  16.321
  351   2HG   MET  52          HG1       MET  52  16.640   4.308  16.268
  352   1HE   MET  52          HE1       MET  52  15.274   1.348  17.715
  353   2HE   MET  52          HE2       MET  52  15.070   2.931  16.968
  354   3HE   MET  52          HE3       MET  52  16.057   2.768  18.419
  355    HA   PRO  53           HA       PRO  53  18.882   1.483  10.064
  356   1HB   PRO  53          HB2       PRO  53  16.983  -0.503   9.961
  357   2HB   PRO  53          HB1       PRO  53  18.641  -0.763  10.529
  358   1HG   PRO  53          HG2       PRO  53  16.123  -0.574  12.115
  359   2HG   PRO  53          HG1       PRO  53  17.629  -1.424  12.499
  360   1HD   PRO  53          HD2       PRO  53  16.817   1.068  13.564
  361   2HD   PRO  53          HD1       PRO  53  18.448   0.371  13.668
  362    H    ASP  54           H        ASP  54  17.557   1.883   8.186
  363    HA   ASP  54           HA       ASP  54  15.419   3.800   8.623
  364   1HB   ASP  54          HB2       ASP  54  16.075   2.447   6.003
  365   2HB   ASP  54          HB1       ASP  54  15.397   4.056   6.259
  366    H    ASP  55           H        ASP  55  13.324   3.425   7.212
  367    HA   ASP  55           HA       ASP  55  12.377   0.624   7.661
  368   1HB   ASP  55          HB2       ASP  55  10.784   3.172   8.080
  369   2HB   ASP  55          HB1       ASP  55  10.197   1.529   8.330
  370    H    ARG  56           H        ARG  56  11.624  -0.282   5.803
  371    HA   ARG  56           HA       ARG  56  10.582   1.544   3.680
  372   1HB   ARG  56          HB2       ARG  56  12.257  -0.930   3.218
  373   2HB   ARG  56          HB1       ARG  56  11.646   0.174   1.986
  374   1HG   ARG  56          HG2       ARG  56  13.128   1.566   4.084
  375   2HG   ARG  56          HG1       ARG  56  14.113   0.364   3.251
  376   1HD   ARG  56          HD2       ARG  56  13.520   1.336   1.083
  377   2HD   ARG  56          HD1       ARG  56  12.458   2.501   1.875
  378    HE   ARG  56           HE       ARG  56  14.820   3.050   3.092
  379   1HH1  ARG  56          1HH2      ARG  56  15.227   1.616   0.153
  380   2HH1  ARG  56          2HH2      ARG  56  15.925   2.984  -0.650
  381   1HH2  ARG  56          1HH1      ARG  56  15.188   5.198   1.914
  382   2HH2  ARG  56          2HH1      ARG  56  15.903   5.012   0.347
  383    H    CYS  57           H        CYS  57   8.532   1.038   3.158
  384    HA   CYS  57           HA       CYS  57   7.139  -1.198   4.245
  385   1HB   CYS  57          HB2       CYS  57   6.489   0.524   1.835
  386   2HB   CYS  57          HB1       CYS  57   5.365  -0.602   2.592
  387    H    THR  58           H        THR  58   6.280  -3.058   3.097
  388    HA   THR  58           HA       THR  58   8.256  -4.252   1.306
  389    HB   THR  58           HB       THR  58   7.005  -6.274   1.565
  390    HG1  THR  58           HG1      THR  58   4.917  -6.274   1.883
  391   1HG2  THR  58          1HG2      THR  58   8.049  -4.974   3.675
  392   2HG2  THR  58          2HG2      THR  58   7.266  -6.548   3.827
  393   3HG2  THR  58          3HG2      THR  58   6.373  -5.077   4.214
  394    H    GLY  59           H        GLY  59   5.941  -2.052   0.712
  395   1HA   GLY  59          HA2       GLY  59   5.214  -1.341  -1.447
  396   2HA   GLY  59          HA1       GLY  59   5.724  -2.899  -2.100
  397    H    GLN  60           H        GLN  60   4.362  -4.698  -0.567
  398    HA   GLN  60           HA       GLN  60   1.641  -4.396  -1.568
  399   1HB   GLN  60          HB2       GLN  60   2.890  -6.516   0.208
  400   2HB   GLN  60          HB1       GLN  60   1.287  -6.622  -0.520
  401   1HG   GLN  60          HG2       GLN  60   2.519  -7.752  -2.120
  402   2HG   GLN  60          HG1       GLN  60   2.646  -6.108  -2.748
  403   1HE2  GLN  60          1HE2      GLN  60   4.740  -7.161  -3.706
  404   2HE2  GLN  60          2HE2      GLN  60   6.136  -7.075  -2.746
  405    H    SER  61           H        SER  61   3.255  -3.431   1.263
  406    HA   SER  61           HA       SER  61   0.759  -3.516   2.885
  407   1HB   SER  61          HB2       SER  61   3.669  -3.145   3.503
  408   2HB   SER  61          HB1       SER  61   2.472  -2.496   4.620
  409    HG   SER  61           HG       SER  61   1.557  -4.593   4.711
  410    H    ALA  62           H        ALA  62  -0.441  -1.689   3.205
  411    HA   ALA  62           HA       ALA  62   0.347   0.790   1.855
  412   1HB   ALA  62          HB1       ALA  62  -2.026   0.106   3.622
  413   2HB   ALA  62          HB2       ALA  62  -2.010   0.159   1.860
  414   3HB   ALA  62          HB3       ALA  62  -1.819   1.646   2.790
  415    H    ASP  63           H        ASP  63  -0.003  -0.342   5.204
  416    HA   ASP  63           HA       ASP  63   0.985   2.254   6.230
  417   1HB   ASP  63          HB2       ASP  63   0.553  -0.172   7.951
  418   2HB   ASP  63          HB1       ASP  63   0.300   1.530   8.341
  419    H    CYS  64           H        CYS  64   2.825   1.993   7.979
  420    HA   CYS  64           HA       CYS  64   4.884   0.246   6.734
  421   1HB   CYS  64          HB2       CYS  64   5.538   2.571   6.761
  422   2HB   CYS  64          HB1       CYS  64   5.240   2.678   8.487
  423    HA   PRO  65           HA       PRO  65   4.467  -2.149  10.442
  424   1HB   PRO  65          HB2       PRO  65   5.925  -4.238   9.440
  425   2HB   PRO  65          HB1       PRO  65   4.210  -4.002   9.095
  426   1HG   PRO  65          HG2       PRO  65   6.570  -3.597   7.338
  427   2HG   PRO  65          HG1       PRO  65   4.881  -3.899   6.895
  428   1HD   PRO  65          HD2       PRO  65   6.211  -1.393   6.844
  429   2HD   PRO  65          HD1       PRO  65   4.467  -1.666   6.653
  430    H    ARG  66           H        ARG  66   5.940  -2.604  12.159
  431    HA   ARG  66           HA       ARG  66   8.664  -1.461  11.772
  432   1HB   ARG  66          HB2       ARG  66   7.395  -0.461  13.594
  433   2HB   ARG  66          HB1       ARG  66   7.074  -2.051  14.287
  434   1HG   ARG  66          HG2       ARG  66   9.827  -2.048  14.041
  435   2HG   ARG  66          HG1       ARG  66   9.477  -0.378  14.493
  436   1HD   ARG  66          HD2       ARG  66   9.381  -1.152  16.619
  437   2HD   ARG  66          HD1       ARG  66   7.811  -1.817  16.164
  438    HE   ARG  66           HE       ARG  66   9.591  -3.774  15.367
  439   1HH1  ARG  66          1HH2      ARG  66   8.432  -2.305  18.232
  440   2HH1  ARG  66          2HH2      ARG  66   9.190  -3.444  19.296
  441   1HH2  ARG  66          1HH1      ARG  66  10.830  -5.130  16.749
  442   2HH2  ARG  66          2HH1      ARG  66  10.548  -5.042  18.455
  443    H    TYR  67           H        TYR  67  10.441  -2.764  11.892
  444    HA   TYR  67           HA       TYR  67   9.982  -5.605  12.697
  445   1HB   TYR  67          HB2       TYR  67  11.343  -6.328  10.976
  446   2HB   TYR  67          HB1       TYR  67  10.721  -4.855  10.240
  447    HD1  TYR  67           HD2      TYR  67  12.166  -2.662  11.248
  448    HD2  TYR  67           HD1      TYR  67  13.603  -6.655  10.587
  449    HE1  TYR  67           HE2      TYR  67  14.480  -1.797  11.060
  450    HE2  TYR  67           HE1      TYR  67  15.918  -5.790  10.398
  451    HH   TYR  67           HH       TYR  67  17.222  -3.881  11.047
  452    H    HIS  68           H        HIS  68  11.841  -2.728  13.235
  453    HA   HIS  68           HA       HIS  68  13.639  -2.281  14.687
  454   1HB   HIS  68          HB2       HIS  68  11.623  -3.070  16.163
  455   2HB   HIS  68          HB1       HIS  68  12.595  -4.523  16.399
  456    HD1  HIS  68           HD1      HIS  68  12.539  -3.421  18.965
  457    HD2  HIS  68           HD2      HIS  68  14.963  -1.576  16.119
  458    HE1  HIS  68           HE1      HIS  68  14.205  -2.012  20.250
  Start of MODEL    3
    1   1H    GLY   1          HT1       GLY   1 -11.186  -7.051  13.977
    2   2H    GLY   1          HT2       GLY   1 -12.790  -7.607  14.040
    3   3H    GLY   1          HT3       GLY   1 -12.144  -6.720  15.338
    4   1HA   GLY   1          HA1       GLY   1 -13.671  -5.634  13.464
    5   2HA   GLY   1          HA2       GLY   1 -12.426  -4.738  14.337
    6    H    LYS   2           H        LYS   2 -12.557  -7.030  11.577
    7    HA   LYS   2           HA       LYS   2 -10.521  -5.319  10.220
    8   1HB   LYS   2          HB2       LYS   2 -10.756  -8.132  10.544
    9   2HB   LYS   2          HB1       LYS   2 -11.032  -7.788   8.836
   10   1HG   LYS   2          HG2       LYS   2  -8.949  -6.431   8.796
   11   2HG   LYS   2          HG1       LYS   2  -8.661  -6.863  10.482
   12   1HD   LYS   2          HD2       LYS   2  -9.023  -8.935   8.308
   13   2HD   LYS   2          HD1       LYS   2  -7.442  -8.295   8.760
   14   1HE   LYS   2          HE2       LYS   2  -7.920  -8.977  11.133
   15   2HE   LYS   2          HE1       LYS   2  -9.389  -9.766  10.558
   16   1HZ   LYS   2          HZ1       LYS   2  -6.635 -10.375   9.627
   17   2HZ   LYS   2          HZ2       LYS   2  -8.057 -11.151   9.112
   18   3HZ   LYS   2          HZ3       LYS   2  -7.531 -11.312  10.720
   19    H    GLU   3           H        GLU   3 -13.516  -4.896  10.357
   20    HA   GLU   3           HA       GLU   3 -14.184  -5.207   7.469
   21   1HB   GLU   3          HB2       GLU   3 -15.718  -5.317   9.939
   22   2HB   GLU   3          HB1       GLU   3 -16.415  -4.162   8.800
   23   1HG   GLU   3          HG2       GLU   3 -15.537  -6.732   7.618
   24   2HG   GLU   3          HG1       GLU   3 -16.913  -6.837   8.718
   25    H    CYS   4           H        CYS   4 -12.617  -3.027   9.240
   26    HA   CYS   4           HA       CYS   4 -13.953  -0.710   7.904
   27   1HB   CYS   4          HB2       CYS   4 -13.013  -1.098  10.640
   28   2HB   CYS   4          HB1       CYS   4 -12.300   0.333   9.895
   29    H    ASP   5           H        ASP   5 -12.743  -0.477   6.045
   30    HA   ASP   5           HA       ASP   5  -9.848  -0.894   6.052
   31   1HB   ASP   5          HB2       ASP   5 -11.347  -1.361   4.070
   32   2HB   ASP   5          HB1       ASP   5 -11.549   0.382   3.891
   33    H    CYS   6           H        CYS   6 -11.955   1.714   6.764
   34    HA   CYS   6           HA       CYS   6  -9.618   3.578   6.677
   35   1HB   CYS   6          HB2       CYS   6 -11.214   5.411   6.150
   36   2HB   CYS   6          HB1       CYS   6 -11.166   4.190   4.880
   37    H    SER   7           H        SER   7  -9.445   4.978   8.462
   38    HA   SER   7           HA       SER   7 -10.831   4.078  10.877
   39   1HB   SER   7          HB2       SER   7  -9.322   5.495  12.061
   40   2HB   SER   7          HB1       SER   7  -8.386   4.818  10.732
   41    HG   SER   7           HG       SER   7  -8.956   6.768   9.561
   42    H    SER   8           H        SER   8 -11.398   6.452   8.480
   43    HA   SER   8           HA       SER   8 -13.273   7.869  10.331
   44   1HB   SER   8          HB2       SER   8 -11.413   8.850   8.254
   45   2HB   SER   8          HB1       SER   8 -13.018   9.573   8.213
   46    HG   SER   8           HG       SER   8 -11.197  10.404   9.702
   47    HA   PRO   9           HA       PRO   9 -16.442   6.321   7.678
   48   1HB   PRO   9          HB2       PRO   9 -18.465   7.949   8.578
   49   2HB   PRO   9          HB1       PRO   9 -17.864   6.549   9.481
   50   1HG   PRO   9          HG2       PRO   9 -17.394   9.449   9.990
   51   2HG   PRO   9          HG1       PRO   9 -17.388   8.095  11.131
   52   1HD   PRO   9          HD2       PRO   9 -15.097   9.360  10.057
   53   2HD   PRO   9          HD1       PRO   9 -15.124   7.802  10.911
   54    H    GLU  10           H        GLU  10 -15.615   9.729   7.839
   55    HA   GLU  10           HA       GLU  10 -17.224  10.515   5.549
   56   1HB   GLU  10          HB2       GLU  10 -16.128  12.645   5.742
   57   2HB   GLU  10          HB1       GLU  10 -16.398  12.067   7.386
   58   1HG   GLU  10          HG2       GLU  10 -14.053  11.104   7.322
   59   2HG   GLU  10          HG1       GLU  10 -13.817  11.974   5.807
   60    H    ASN  11           H        ASN  11 -14.186   8.947   5.970
   61    HA   ASN  11           HA       ASN  11 -12.742   9.784   3.698
   62   1HB   ASN  11          HB2       ASN  11 -11.945   8.192   5.491
   63   2HB   ASN  11          HB1       ASN  11 -12.897   6.932   4.704
   64   1HD2  ASN  11          1HD2      ASN  11  -9.824   7.487   4.955
   65   2HD2  ASN  11          2HD2      ASN  11  -9.271   7.302   3.361
   66    HA   PRO  12           HA       PRO  12 -15.573   8.304   0.575
   67   1HB   PRO  12          HB2       PRO  12 -14.164   9.343  -1.542
   68   2HB   PRO  12          HB1       PRO  12 -15.235  10.308  -0.513
   69   1HG   PRO  12          HG2       PRO  12 -12.256  10.243  -0.578
   70   2HG   PRO  12          HG1       PRO  12 -13.338  11.546  -0.062
   71   1HD   PRO  12          HD2       PRO  12 -11.923   9.776   1.644
   72   2HD   PRO  12          HD1       PRO  12 -13.228  10.880   2.126
   73    H    CYS  13           H        CYS  13 -12.079   7.775   0.595
   74    HA   CYS  13           HA       CYS  13 -11.906   5.915  -1.549
   75   1HB   CYS  13          HB2       CYS  13 -10.010   6.999  -0.130
   76   2HB   CYS  13          HB1       CYS  13 -10.256   5.632   0.956
   77    H    CYS  14           H        CYS  14 -13.267   5.587   1.625
   78    HA   CYS  14           HA       CYS  14 -13.503   2.639   1.162
   79   1HB   CYS  14          HB2       CYS  14 -13.547   2.308   3.535
   80   2HB   CYS  14          HB1       CYS  14 -12.190   3.386   3.206
   81    H    ASP  15           H        ASP  15 -15.519   1.689   1.467
   82    HA   ASP  15           HA       ASP  15 -17.822   3.343   0.936
   83   1HB   ASP  15          HB2       ASP  15 -17.353   0.816   0.370
   84   2HB   ASP  15          HB1       ASP  15 -18.017   0.530   1.975
   85    H    ALA  16           H        ALA  16 -19.372   4.083   2.375
   86    HA   ALA  16           HA       ALA  16 -18.665   4.140   5.201
   87   1HB   ALA  16          HB1       ALA  16 -21.276   5.021   3.946
   88   2HB   ALA  16          HB2       ALA  16 -19.818   6.013   3.917
   89   3HB   ALA  16          HB3       ALA  16 -20.564   5.585   5.457
   90    H    ALA  17           H        ALA  17 -21.122   2.513   3.221
   91    HA   ALA  17           HA       ALA  17 -22.597   1.375   5.394
   92   1HB   ALA  17          HB1       ALA  17 -23.702   1.253   3.335
   93   2HB   ALA  17          HB2       ALA  17 -23.146  -0.405   3.554
   94   3HB   ALA  17          HB3       ALA  17 -22.264   0.686   2.486
   95    H    THR  18           H        THR  18 -19.686   0.330   3.685
   96    HA   THR  18           HA       THR  18 -19.554  -2.021   5.529
   97    HB   THR  18           HB       THR  18 -18.207  -3.137   3.877
   98    HG1  THR  18           HG1      THR  18 -17.477  -2.069   2.065
   99   1HG2  THR  18          1HG2      THR  18 -20.552  -3.285   3.376
  100   2HG2  THR  18          2HG2      THR  18 -19.716  -3.001   1.850
  101   3HG2  THR  18          3HG2      THR  18 -20.558  -1.675   2.654
  102    H    CYS  19           H        CYS  19 -18.359   1.039   5.181
  103    HA   CYS  19           HA       CYS  19 -16.393   2.112   5.914
  104   1HB   CYS  19          HB2       CYS  19 -17.291   1.215   8.050
  105   2HB   CYS  19          HB1       CYS  19 -16.386  -0.276   7.791
  106    H    LYS  20           H        LYS  20 -16.124   0.122   3.734
  107    HA   LYS  20           HA       LYS  20 -13.225  -0.456   4.139
  108   1HB   LYS  20          HB2       LYS  20 -15.403  -2.360   3.387
  109   2HB   LYS  20          HB1       LYS  20 -13.813  -2.573   2.651
  110   1HG   LYS  20          HG2       LYS  20 -13.107  -2.170   5.248
  111   2HG   LYS  20          HG1       LYS  20 -14.663  -2.974   5.458
  112   1HD   LYS  20          HD2       LYS  20 -13.453  -4.884   5.207
  113   2HD   LYS  20          HD1       LYS  20 -13.541  -4.502   3.487
  114   1HE   LYS  20          HE2       LYS  20 -11.389  -3.489   3.493
  115   2HE   LYS  20          HE1       LYS  20 -11.345  -3.418   5.255
  116   1HZ   LYS  20          HZ1       LYS  20 -10.023  -5.238   4.697
  117   2HZ   LYS  20          HZ2       LYS  20 -11.102  -5.787   3.505
  118   3HZ   LYS  20          HZ3       LYS  20 -11.502  -5.935   5.150
  119    H    LEU  21           H        LEU  21 -12.016  -0.606   2.118
  120    HA   LEU  21           HA       LEU  21 -12.361   1.400   0.277
  121   1HB   LEU  21          HB2       LEU  21 -11.202  -1.364  -0.054
  122   2HB   LEU  21          HB1       LEU  21 -11.214  -0.223  -1.400
  123    HG   LEU  21           HG       LEU  21 -10.262   0.873   1.180
  124   1HD1  LEU  21          1HD1      LEU  21  -9.334  -1.626   0.620
  125   2HD1  LEU  21          2HD1      LEU  21  -8.376  -0.389   1.437
  126   3HD1  LEU  21          3HD1      LEU  21  -8.193  -0.643  -0.299
  127   1HD2  LEU  21          1HD2      LEU  21  -8.518   1.119  -1.118
  128   2HD2  LEU  21          2HD2      LEU  21  -9.395   2.383  -0.255
  129   3HD2  LEU  21          3HD2      LEU  21 -10.180   1.502  -1.567
  130    H    ARG  22           H        ARG  22 -14.157   1.917  -0.863
  131    HA   ARG  22           HA       ARG  22 -16.091  -0.119  -1.660
  132   1HB   ARG  22          HB2       ARG  22 -17.260   1.797  -1.187
  133   2HB   ARG  22          HB1       ARG  22 -15.944   2.855  -1.679
  134   1HG   ARG  22          HG2       ARG  22 -16.470   2.472  -4.034
  135   2HG   ARG  22          HG1       ARG  22 -17.713   1.300  -3.593
  136   1HD   ARG  22          HD2       ARG  22 -18.300   3.630  -2.116
  137   2HD   ARG  22          HD1       ARG  22 -17.913   4.180  -3.746
  138    HE   ARG  22           HE       ARG  22 -19.990   2.098  -3.192
  139   1HH1  ARG  22          1HH2      ARG  22 -18.439   3.845  -5.600
  140   2HH1  ARG  22          2HH2      ARG  22 -19.883   4.398  -6.378
  141   1HH2  ARG  22          1HH1      ARG  22 -21.991   3.212  -3.890
  142   2HH2  ARG  22          2HH1      ARG  22 -21.896   4.040  -5.408
  143    HA   PRO  23           HA       PRO  23 -14.528   1.056  -6.017
  144   1HB   PRO  23          HB2       PRO  23 -12.285   2.639  -6.180
  145   2HB   PRO  23          HB1       PRO  23 -13.938   3.278  -6.144
  146   1HG   PRO  23          HG2       PRO  23 -11.880   3.276  -3.988
  147   2HG   PRO  23          HG1       PRO  23 -13.239   4.384  -4.242
  148   1HD   PRO  23          HD2       PRO  23 -13.149   2.262  -2.374
  149   2HD   PRO  23          HD1       PRO  23 -14.598   3.167  -2.860
  150    H    GLY  24           H        GLY  24 -11.965   0.989  -7.128
  151   1HA   GLY  24          HA2       GLY  24 -11.026  -1.626  -6.152
  152   2HA   GLY  24          HA1       GLY  24 -10.500  -0.823  -7.632
  153    H    ALA  25           H        ALA  25 -10.526   1.115  -4.775
  154    HA   ALA  25           HA       ALA  25  -7.691   1.595  -4.942
  155   1HB   ALA  25          HB1       ALA  25  -8.304   2.496  -2.461
  156   2HB   ALA  25          HB2       ALA  25  -9.919   2.434  -3.165
  157   3HB   ALA  25          HB3       ALA  25  -8.661   3.406  -3.927
  158    H    GLN  26           H        GLN  26  -6.008   0.736  -3.688
  159    HA   GLN  26           HA       GLN  26  -6.585  -1.858  -2.438
  160   1HB   GLN  26          HB2       GLN  26  -4.245  -0.455  -3.505
  161   2HB   GLN  26          HB1       GLN  26  -3.906  -1.331  -2.013
  162   1HG   GLN  26          HG2       GLN  26  -3.584  -2.998  -3.618
  163   2HG   GLN  26          HG1       GLN  26  -5.267  -3.255  -3.158
  164   1HE2  GLN  26          1HE2      GLN  26  -5.681  -4.169  -5.341
  165   2HE2  GLN  26          2HE2      GLN  26  -5.841  -3.136  -6.680
  166    H    CYS  27           H        CYS  27  -6.159   1.395  -1.386
  167    HA   CYS  27           HA       CYS  27  -6.605   0.599   1.378
  168   1HB   CYS  27          HB2       CYS  27  -4.406   0.329   1.886
  169   2HB   CYS  27          HB1       CYS  27  -3.875   1.109   0.406
  170    H    GLY  28           H        GLY  28  -7.340   2.359   2.628
  171   1HA   GLY  28          HA2       GLY  28  -7.961   4.796   1.052
  172   2HA   GLY  28          HA1       GLY  28  -8.745   4.322   2.559
  173    H    GLU  29           H        GLU  29  -5.912   3.675   3.580
  174    HA   GLU  29           HA       GLU  29  -4.623   6.287   3.717
  175   1HB   GLU  29          HB2       GLU  29  -5.018   6.743   6.025
  176   2HB   GLU  29          HB1       GLU  29  -6.595   6.409   5.321
  177   1HG   GLU  29          HG2       GLU  29  -6.897   4.746   6.800
  178   2HG   GLU  29          HG1       GLU  29  -5.487   3.916   6.138
  179    H    GLY  30           H        GLY  30  -2.523   6.135   4.589
  180   1HA   GLY  30          HA2       GLY  30  -1.331   4.242   6.186
  181   2HA   GLY  30          HA1       GLY  30  -1.388   3.438   4.614
  182    H    LEU  31           H        LEU  31   1.135   3.761   5.223
  183    HA   LEU  31           HA       LEU  31   2.004   6.447   4.293
  184   1HB   LEU  31          HB2       LEU  31   4.341   5.233   4.816
  185   2HB   LEU  31          HB1       LEU  31   3.406   6.065   6.057
  186    HG   LEU  31           HG       LEU  31   2.280   3.879   6.565
  187   1HD1  LEU  31          1HD1      LEU  31   4.187   2.076   5.568
  188   2HD1  LEU  31          2HD1      LEU  31   3.832   3.134   4.216
  189   3HD1  LEU  31          3HD1      LEU  31   2.533   2.253   5.009
  190   1HD2  LEU  31          1HD2      LEU  31   4.321   4.856   7.751
  191   2HD2  LEU  31          2HD2      LEU  31   5.281   3.723   6.815
  192   3HD2  LEU  31          3HD2      LEU  31   4.077   3.126   7.946
  193    H    CYS  32           H        CYS  32   1.791   3.128   3.392
  194    HA   CYS  32           HA       CYS  32   3.412   3.604   0.939
  195   1HB   CYS  32          HB2       CYS  32   3.058   1.362   2.647
  196   2HB   CYS  32          HB1       CYS  32   2.296   0.950   1.110
  197    H    CYS  33           H        CYS  33   0.704   4.740   1.476
  198    HA   CYS  33           HA       CYS  33  -0.867   3.324  -0.634
  199   1HB   CYS  33          HB2       CYS  33  -1.764   5.218   1.557
  200   2HB   CYS  33          HB1       CYS  33  -2.828   4.519   0.340
  201    H    GLU  34           H        GLU  34  -0.178   4.314  -2.523
  202    HA   GLU  34           HA       GLU  34  -0.134   7.290  -2.611
  203   1HB   GLU  34          HB2       GLU  34   1.132   5.109  -4.168
  204   2HB   GLU  34          HB1       GLU  34   0.583   6.489  -5.120
  205   1HG   GLU  34          HG2       GLU  34   2.101   7.922  -4.171
  206   2HG   GLU  34          HG1       GLU  34   2.035   7.118  -2.601
  207    H    GLN  35           H        GLN  35  -2.132   8.135  -3.048
  208    HA   GLN  35           HA       GLN  35  -4.200   8.453  -4.121
  209   1HB   GLN  35          HB2       GLN  35  -2.602   6.925  -6.155
  210   2HB   GLN  35          HB1       GLN  35  -4.329   7.161  -6.426
  211   1HG   GLN  35          HG2       GLN  35  -3.467   9.670  -5.617
  212   2HG   GLN  35          HG1       GLN  35  -2.140   9.091  -6.624
  213   1HE2  GLN  35          1HE2      GLN  35  -3.331  11.117  -7.847
  214   2HE2  GLN  35          2HE2      GLN  35  -4.446  10.627  -9.029
  215    H    CYS  36           H        CYS  36  -3.961   6.460  -2.132
  216    HA   CYS  36           HA       CYS  36  -5.196   4.683  -1.241
  217   1HB   CYS  36          HB2       CYS  36  -6.876   5.525  -3.577
  218   2HB   CYS  36          HB1       CYS  36  -7.244   4.010  -2.769
  219    H    LYS  37           H        LYS  37  -2.929   4.223  -3.075
  220    HA   LYS  37           HA       LYS  37  -3.698   1.470  -3.954
  221   1HB   LYS  37          HB2       LYS  37  -2.651   3.666  -5.555
  222   2HB   LYS  37          HB1       LYS  37  -1.590   2.257  -5.616
  223   1HG   LYS  37          HG2       LYS  37  -3.085   1.724  -7.307
  224   2HG   LYS  37          HG1       LYS  37  -3.878   0.958  -5.931
  225   1HD   LYS  37          HD2       LYS  37  -5.694   2.198  -6.430
  226   2HD   LYS  37          HD1       LYS  37  -4.785   3.597  -5.856
  227   1HE   LYS  37          HE2       LYS  37  -5.597   4.056  -8.105
  228   2HE   LYS  37          HE1       LYS  37  -3.843   3.873  -8.154
  229   1HZ   LYS  37          HZ1       LYS  37  -4.379   1.426  -8.651
  230   2HZ   LYS  37          HZ2       LYS  37  -4.562   2.563  -9.899
  231   3HZ   LYS  37          HZ3       LYS  37  -5.925   1.993  -9.062
  232    H    PHE  38           H        PHE  38  -2.265  -0.112  -3.327
  233    HA   PHE  38           HA       PHE  38  -0.345   0.394  -1.297
  234   1HB   PHE  38          HB2       PHE  38  -0.595  -1.926  -3.231
  235   2HB   PHE  38          HB1       PHE  38   0.506  -1.916  -1.855
  236    HD1  PHE  38           HD1      PHE  38  -1.279  -0.390   0.092
  237    HD2  PHE  38           HD2      PHE  38  -2.072  -3.671  -2.565
  238    HE1  PHE  38           HE1      PHE  38  -3.130  -1.137   1.563
  239    HE2  PHE  38           HE2      PHE  38  -3.922  -4.417  -1.094
  240    HZ   PHE  38           HZ       PHE  38  -4.452  -3.150   0.970
  241    H    SER  39           H        SER  39   1.530   1.515  -1.538
  242    HA   SER  39           HA       SER  39   2.729   2.077  -4.083
  243   1HB   SER  39          HB2       SER  39   4.268   2.115  -1.494
  244   2HB   SER  39          HB1       SER  39   4.401   3.207  -2.870
  245    HG   SER  39           HG       SER  39   2.330   4.001  -2.336
  246    H    ARG  40           H        ARG  40   5.528   1.367  -2.935
  247    HA   ARG  40           HA       ARG  40   5.409  -1.528  -3.682
  248   1HB   ARG  40          HB2       ARG  40   6.793   0.568  -4.968
  249   2HB   ARG  40          HB1       ARG  40   8.021  -0.350  -4.096
  250   1HG   ARG  40          HG2       ARG  40   7.839  -2.108  -5.502
  251   2HG   ARG  40          HG1       ARG  40   6.077  -2.092  -5.406
  252   1HD   ARG  40          HD2       ARG  40   6.455   0.128  -6.894
  253   2HD   ARG  40          HD1       ARG  40   7.881  -0.788  -7.379
  254    HE   ARG  40           HE       ARG  40   5.078  -1.529  -7.929
  255   1HH1  ARG  40          1HH1      ARG  40   7.751  -3.285  -7.015
  256   2HH1  ARG  40          2HH1      ARG  40   7.884  -4.204  -8.477
  257   1HH2  ARG  40          1HH2      ARG  40   5.527  -2.325 -10.191
  258   2HH2  ARG  40          2HH2      ARG  40   6.625  -3.662 -10.273
  259    H    ALA  41           H        ALA  41   7.746  -2.496  -2.935
  260    HA   ALA  41           HA       ALA  41   7.887  -1.886  -0.020
  261   1HB   ALA  41          HB1       ALA  41   7.547  -4.295  -1.262
  262   2HB   ALA  41          HB2       ALA  41   8.265  -4.112   0.338
  263   3HB   ALA  41          HB3       ALA  41   9.301  -4.263  -1.080
  264    H    GLY  42           H        GLY  42  10.166  -2.281   0.908
  265   1HA   GLY  42          HA2       GLY  42  12.440  -1.687   0.954
  266   2HA   GLY  42          HA1       GLY  42  12.447  -1.831  -0.810
  267    H    LYS  43           H        LYS  43  10.048   0.160   0.705
  268    HA   LYS  43           HA       LYS  43  11.488   2.552  -0.393
  269   1HB   LYS  43          HB2       LYS  43   8.754   3.005   0.561
  270   2HB   LYS  43          HB1       LYS  43   9.502   3.465  -0.964
  271   1HG   LYS  43          HG2       LYS  43   8.689   0.624  -0.374
  272   2HG   LYS  43          HG1       LYS  43   7.598   1.804  -1.079
  273   1HD   LYS  43          HD2       LYS  43  10.305   1.461  -2.299
  274   2HD   LYS  43          HD1       LYS  43   9.057   0.266  -2.650
  275   1HE   LYS  43          HE2       LYS  43   8.360   1.697  -4.258
  276   2HE   LYS  43          HE1       LYS  43   7.704   2.660  -2.934
  277   1HZ   LYS  43          HZ1       LYS  43   9.628   3.985  -2.870
  278   2HZ   LYS  43          HZ2       LYS  43   9.227   3.852  -4.515
  279   3HZ   LYS  43          HZ3       LYS  43  10.499   2.929  -3.872
  280    H    ILE  44           H        ILE  44  11.786   4.344   0.925
  281    HA   ILE  44           HA       ILE  44  12.157   3.731   3.722
  282    HB   ILE  44           HB       ILE  44  13.625   5.337   2.657
  283   1HG1  ILE  44          2HG1      ILE  44  13.532   7.122   4.274
  284   2HG1  ILE  44          1HG1      ILE  44  11.802   6.885   4.523
  285   1HG2  ILE  44          1HG2      ILE  44  11.820   7.563   2.377
  286   2HG2  ILE  44          2HG2      ILE  44  11.215   6.188   1.451
  287   3HG2  ILE  44          3HG2      ILE  44  12.841   6.805   1.154
  288   1HD1  ILE  44          1HD1      ILE  44  13.561   4.525   4.983
  289   2HD1  ILE  44          2HD1      ILE  44  12.107   5.030   5.847
  290   3HD1  ILE  44          3HD1      ILE  44  13.648   5.827   6.169
  291    H    CYS  45           H        CYS  45   9.822   3.034   4.055
  292    HA   CYS  45           HA       CYS  45   7.607   4.763   3.884
  293   1HB   CYS  45          HB2       CYS  45   6.820   3.492   6.003
  294   2HB   CYS  45          HB1       CYS  45   7.033   2.598   4.507
  295    H    ARG  46           H        ARG  46  10.264   4.809   6.152
  296    HA   ARG  46           HA       ARG  46   9.216   7.362   7.229
  297   1HB   ARG  46          HB2       ARG  46   9.729   4.865   8.828
  298   2HB   ARG  46          HB1       ARG  46   9.990   6.445   9.567
  299   1HG   ARG  46          HG2       ARG  46   7.716   7.084   9.246
  300   2HG   ARG  46          HG1       ARG  46   7.417   5.736   8.148
  301   1HD   ARG  46          HD2       ARG  46   7.206   4.213   9.853
  302   2HD   ARG  46          HD1       ARG  46   8.372   5.046  10.882
  303    HE   ARG  46           HE       ARG  46   6.209   6.778  10.787
  304   1HH1  ARG  46          1HH1      ARG  46   6.670   3.428  11.486
  305   2HH1  ARG  46          2HH1      ARG  46   5.397   3.364  12.657
  306   1HH2  ARG  46          1HH2      ARG  46   4.566   6.714  12.340
  307   2HH2  ARG  46          2HH2      ARG  46   4.206   5.221  13.138
  308    H    ILE  47           H        ILE  47  10.879   8.668   6.650
  309    HA   ILE  47           HA       ILE  47  13.617   7.704   6.533
  310    HB   ILE  47           HB       ILE  47  12.374   9.626   5.184
  311   1HG1  ILE  47          2HG1      ILE  47  15.200  10.258   5.949
  312   2HG1  ILE  47          1HG1      ILE  47  14.852   8.703   5.187
  313   1HG2  ILE  47          1HG2      ILE  47  12.896  11.851   6.014
  314   2HG2  ILE  47          2HG2      ILE  47  13.713  11.173   7.421
  315   3HG2  ILE  47          3HG2      ILE  47  11.969  10.992   7.244
  316   1HD1  ILE  47          1HD1      ILE  47  14.861  11.386   4.015
  317   2HD1  ILE  47          2HD1      ILE  47  13.390  10.482   3.655
  318   3HD1  ILE  47          3HD1      ILE  47  14.964   9.816   3.223
  319    HA   PRO  48           HA       PRO  48  14.631   8.645  10.724
  320   1HB   PRO  48          HB2       PRO  48  17.356   8.426  10.462
  321   2HB   PRO  48          HB1       PRO  48  16.265   7.030  10.520
  322   1HG   PRO  48          HG2       PRO  48  17.701   8.188   8.180
  323   2HG   PRO  48          HG1       PRO  48  17.129   6.531   8.438
  324   1HD   PRO  48          HD2       PRO  48  15.865   8.509   6.838
  325   2HD   PRO  48          HD1       PRO  48  15.166   6.953   7.338
  326    H    ARG  49           H        ARG  49  14.579  10.726  11.520
  327    HA   ARG  49           HA       ARG  49  16.090  12.836  10.057
  328   1HB   ARG  49          HB2       ARG  49  13.507  12.791  11.082
  329   2HB   ARG  49          HB1       ARG  49  14.406  13.726  12.278
  330   1HG   ARG  49          HG2       ARG  49  14.761  15.459  10.845
  331   2HG   ARG  49          HG1       ARG  49  15.029  14.390   9.466
  332   1HD   ARG  49          HD2       ARG  49  12.934  14.792   8.753
  333   2HD   ARG  49          HD1       ARG  49  12.302  14.115  10.253
  334    HE   ARG  49           HE       ARG  49  11.822  16.312  10.929
  335   1HH1  ARG  49          1HH1      ARG  49  13.623  16.372   8.047
  336   2HH1  ARG  49          2HH1      ARG  49  14.082  18.036   8.186
  337   1HH2  ARG  49          1HH2      ARG  49  12.719  18.426  11.349
  338   2HH2  ARG  49          2HH2      ARG  49  13.570  19.199  10.054
  339    H    GLY  50           H        GLY  50  18.039  11.678  11.183
  340   1HA   GLY  50          HA2       GLY  50  19.527  13.109  12.809
  341   2HA   GLY  50          HA1       GLY  50  18.331  12.600  14.000
  342    H    ASP  51           H        ASP  51  20.694  11.320  11.658
  343    HA   ASP  51           HA       ASP  51  21.767   9.217  11.604
  344   1HB   ASP  51          HB2       ASP  51  22.378  10.635  13.946
  345   2HB   ASP  51          HB1       ASP  51  22.066   8.984  14.483
  346    H    MET  52           H        MET  52  18.916   8.992  11.695
  347    HA   MET  52           HA       MET  52  18.459   6.724  13.573
  348   1HB   MET  52          HB2       MET  52  16.740   8.735  12.222
  349   2HB   MET  52          HB1       MET  52  16.053   7.120  12.378
  350   1HG   MET  52          HG2       MET  52  15.679   7.429  14.578
  351   2HG   MET  52          HG1       MET  52  17.360   7.895  14.842
  352   1HE   MET  52          HE1       MET  52  14.450  10.369  16.215
  353   2HE   MET  52          HE2       MET  52  15.994   9.804  16.845
  354   3HE   MET  52          HE3       MET  52  14.831   8.643  16.210
  355    HA   PRO  53           HA       PRO  53  18.418   3.768  10.322
  356   1HB   PRO  53          HB2       PRO  53  16.293   2.172  11.032
  357   2HB   PRO  53          HB1       PRO  53  17.853   2.162  11.873
  358   1HG   PRO  53          HG2       PRO  53  15.257   3.349  12.743
  359   2HG   PRO  53          HG1       PRO  53  16.604   2.752  13.727
  360   1HD   PRO  53          HD2       PRO  53  16.040   5.464  13.181
  361   2HD   PRO  53          HD1       PRO  53  17.560   4.832  13.848
  362    H    ASP  54           H        ASP  54  17.195   2.981   8.420
  363    HA   ASP  54           HA       ASP  54  15.007   4.871   7.673
  364   1HB   ASP  54          HB2       ASP  54  16.724   3.133   5.873
  365   2HB   ASP  54          HB1       ASP  54  15.587   4.379   5.356
  366    H    ASP  55           H        ASP  55  13.061   3.913   8.136
  367    HA   ASP  55           HA       ASP  55  12.643   1.052   8.110
  368   1HB   ASP  55          HB2       ASP  55  10.443   3.096   7.825
  369   2HB   ASP  55          HB1       ASP  55  10.396   1.540   8.654
  370    H    ARG  56           H        ARG  56  11.989  -0.246   6.411
  371    HA   ARG  56           HA       ARG  56  11.694   1.095   3.772
  372   1HB   ARG  56          HB2       ARG  56  12.189  -1.813   4.440
  373   2HB   ARG  56          HB1       ARG  56  12.161  -1.115   2.820
  374   1HG   ARG  56          HG2       ARG  56  13.956   0.244   4.740
  375   2HG   ARG  56          HG1       ARG  56  14.431  -1.398   4.305
  376   1HD   ARG  56          HD2       ARG  56  14.383  -0.841   1.940
  377   2HD   ARG  56          HD1       ARG  56  13.746   0.765   2.295
  378    HE   ARG  56           HE       ARG  56  15.930   1.323   3.301
  379   1HH1  ARG  56          1HH2      ARG  56  15.829  -1.950   2.400
  380   2HH1  ARG  56          2HH2      ARG  56  17.447  -1.994   1.782
  381   1HH2  ARG  56          1HH1      ARG  56  17.960   1.418   2.147
  382   2HH2  ARG  56          2HH1      ARG  56  18.654  -0.086   1.640
  383    H    CYS  57           H        CYS  57   9.923   0.710   2.466
  384    HA   CYS  57           HA       CYS  57   7.438  -0.041   3.803
  385   1HB   CYS  57          HB2       CYS  57   8.174   1.529   1.569
  386   2HB   CYS  57          HB1       CYS  57   7.229   0.191   0.926
  387    H    THR  58           H        THR  58   6.111  -1.834   3.150
  388    HA   THR  58           HA       THR  58   7.676  -4.123   2.113
  389    HB   THR  58           HB       THR  58   4.922  -4.747   2.725
  390    HG1  THR  58           HG1      THR  58   4.764  -3.955   4.728
  391   1HG2  THR  58          1HG2      THR  58   6.382  -5.910   4.676
  392   2HG2  THR  58          2HG2      THR  58   7.667  -5.545   3.523
  393   3HG2  THR  58          3HG2      THR  58   6.300  -6.546   3.032
  394    H    GLY  59           H        GLY  59   5.440  -1.790   1.017
  395   1HA   GLY  59          HA2       GLY  59   4.646  -1.494  -1.194
  396   2HA   GLY  59          HA1       GLY  59   5.335  -3.060  -1.617
  397    H    GLN  60           H        GLN  60   4.112  -4.875  -0.114
  398    HA   GLN  60           HA       GLN  60   1.353  -4.800  -1.083
  399   1HB   GLN  60          HB2       GLN  60   2.843  -6.852   0.582
  400   2HB   GLN  60          HB1       GLN  60   1.224  -7.077  -0.083
  401   1HG   GLN  60          HG2       GLN  60   3.728  -6.533  -1.705
  402   2HG   GLN  60          HG1       GLN  60   2.935  -8.101  -1.544
  403   1HE2  GLN  60          1HE2      GLN  60   0.326  -7.752  -1.976
  404   2HE2  GLN  60          2HE2      GLN  60  -0.001  -6.933  -3.427
  405    H    SER  61           H        SER  61   2.751  -3.387   1.524
  406    HA   SER  61           HA       SER  61   0.315  -3.818   3.210
  407   1HB   SER  61          HB2       SER  61   3.145  -3.167   4.076
  408   2HB   SER  61          HB1       SER  61   1.758  -3.236   5.158
  409    HG   SER  61           HG       SER  61   2.202  -5.408   3.467
  410    H    ALA  62           H        ALA  62  -0.958  -2.040   3.218
  411    HA   ALA  62           HA       ALA  62  -0.299   0.464   2.101
  412   1HB   ALA  62          HB1       ALA  62  -2.435  -0.576   3.865
  413   2HB   ALA  62          HB2       ALA  62  -2.558   0.426   2.419
  414   3HB   ALA  62          HB3       ALA  62  -2.162   1.164   3.971
  415    H    ASP  63           H        ASP  63  -0.057  -0.640   5.475
  416    HA   ASP  63           HA       ASP  63   1.190   1.935   6.246
  417   1HB   ASP  63          HB2       ASP  63   0.952  -0.390   8.121
  418   2HB   ASP  63          HB1       ASP  63   0.778   1.333   8.451
  419    H    CYS  64           H        CYS  64   3.228   1.591   7.753
  420    HA   CYS  64           HA       CYS  64   5.034  -0.253   6.271
  421   1HB   CYS  64          HB2       CYS  64   5.787   2.037   6.162
  422   2HB   CYS  64          HB1       CYS  64   5.704   2.200   7.907
  423    HA   PRO  65           HA       PRO  65   4.800  -2.529  10.082
  424   1HB   PRO  65          HB2       PRO  65   5.657  -4.848   8.910
  425   2HB   PRO  65          HB1       PRO  65   3.981  -4.300   8.865
  426   1HG   PRO  65          HG2       PRO  65   6.012  -4.355   6.702
  427   2HG   PRO  65          HG1       PRO  65   4.247  -4.303   6.578
  428   1HD   PRO  65          HD2       PRO  65   6.046  -2.119   6.242
  429   2HD   PRO  65          HD1       PRO  65   4.275  -2.033   6.306
  430    H    ARG  66           H        ARG  66   7.552  -2.639   7.800
  431    HA   ARG  66           HA       ARG  66   9.384  -3.566   9.880
  432   1HB   ARG  66          HB2       ARG  66   9.454  -3.181   6.999
  433   2HB   ARG  66          HB1       ARG  66  10.910  -2.544   7.767
  434   1HG   ARG  66          HG2       ARG  66  11.465  -4.630   8.723
  435   2HG   ARG  66          HG1       ARG  66   9.836  -5.266   8.500
  436   1HD   ARG  66          HD2       ARG  66  11.530  -4.466   6.135
  437   2HD   ARG  66          HD1       ARG  66  11.671  -6.069   6.857
  438    HE   ARG  66           HE       ARG  66   9.178  -4.998   5.606
  439   1HH1  ARG  66          1HH1      ARG  66  11.406  -7.352   5.144
  440   2HH1  ARG  66          2HH1      ARG  66  10.320  -8.699   5.231
  441   1HH2  ARG  66          1HH2      ARG  66   7.661  -6.816   6.420
  442   2HH2  ARG  66          2HH2      ARG  66   8.198  -8.394   5.954
  443    H    TYR  67           H        TYR  67   9.676  -2.090  11.513
  444    HA   TYR  67           HA       TYR  67   9.997   0.772  10.883
  445   1HB   TYR  67          HB2       TYR  67   8.739  -0.094  12.916
  446   2HB   TYR  67          HB1       TYR  67  10.301  -0.584  13.574
  447    HD1  TYR  67           HD2      TYR  67   8.491   2.374  12.172
  448    HD2  TYR  67           HD1      TYR  67  11.642   0.966  14.729
  449    HE1  TYR  67           HE2      TYR  67   8.884   4.692  12.962
  450    HE2  TYR  67           HE1      TYR  67  12.035   3.285  15.519
  451    HH   TYR  67           HH       TYR  67  10.056   5.621  15.413
  452    H    HIS  68           H        HIS  68  11.998  -1.864  10.779
  453    HA   HIS  68           HA       HIS  68  14.332  -2.133  10.873
  454   1HB   HIS  68          HB2       HIS  68  13.762   0.533   9.797
  455   2HB   HIS  68          HB1       HIS  68  15.350   0.429  10.558
  456    HD1  HIS  68           HD1      HIS  68  13.265  -1.334   7.910
  457    HD2  HIS  68           HD2      HIS  68  17.254  -0.946   9.059
  458    HE1  HIS  68           HE1      HIS  68  14.641  -2.482   6.120
  Start of MODEL    4
    1   1H    GLY   1          HT1       GLY   1 -11.821  -1.429  13.683
    2   2H    GLY   1          HT2       GLY   1 -12.533  -1.961  12.236
    3   3H    GLY   1          HT3       GLY   1 -11.137  -0.994  12.194
    4   1HA   GLY   1          HA1       GLY   1  -9.755  -2.692  12.904
    5   2HA   GLY   1          HA2       GLY   1 -11.111  -3.614  13.549
    6    H    LYS   2           H        LYS   2 -12.039  -5.133  12.227
    7    HA   LYS   2           HA       LYS   2 -10.872  -5.509   9.553
    8   1HB   LYS   2          HB2       LYS   2 -12.663  -7.115  11.353
    9   2HB   LYS   2          HB1       LYS   2 -12.564  -7.518   9.641
   10   1HG   LYS   2          HG2       LYS   2 -10.370  -8.202   9.781
   11   2HG   LYS   2          HG1       LYS   2  -9.993  -7.076  11.085
   12   1HD   LYS   2          HD2       LYS   2 -11.243  -8.464  12.677
   13   2HD   LYS   2          HD1       LYS   2 -11.683  -9.577  11.381
   14   1HE   LYS   2          HE2       LYS   2  -9.046  -9.635  11.015
   15   2HE   LYS   2          HE1       LYS   2  -9.039  -9.177  12.718
   16   1HZ   LYS   2          HZ1       LYS   2 -10.875 -11.304  12.036
   17   2HZ   LYS   2          HZ2       LYS   2  -9.802 -11.170  13.346
   18   3HZ   LYS   2          HZ3       LYS   2  -9.237 -11.695  11.832
   19    H    GLU   3           H        GLU   3 -13.501  -3.831  10.834
   20    HA   GLU   3           HA       GLU   3 -15.069  -4.118   8.310
   21   1HB   GLU   3          HB2       GLU   3 -15.766  -3.474  11.133
   22   2HB   GLU   3          HB1       GLU   3 -16.688  -2.643   9.879
   23   1HG   GLU   3          HG2       GLU   3 -17.898  -4.646  10.295
   24   2HG   GLU   3          HG1       GLU   3 -17.003  -4.959   8.807
   25    H    CYS   4           H        CYS   4 -12.933  -2.036   9.952
   26    HA   CYS   4           HA       CYS   4 -13.715   0.198   8.116
   27   1HB   CYS   4          HB2       CYS   4 -12.791   0.331  11.000
   28   2HB   CYS   4          HB1       CYS   4 -12.839   1.736   9.938
   29    H    ASP   5           H        ASP   5 -12.144  -0.191   6.571
   30    HA   ASP   5           HA       ASP   5  -9.407  -0.878   7.256
   31   1HB   ASP   5          HB2       ASP   5 -10.665  -1.428   5.076
   32   2HB   ASP   5          HB1       ASP   5 -10.331   0.239   4.604
   33    H    CYS   6           H        CYS   6 -11.139   2.117   6.624
   34    HA   CYS   6           HA       CYS   6  -8.556   3.601   6.688
   35   1HB   CYS   6          HB2       CYS   6  -9.926   5.546   5.954
   36   2HB   CYS   6          HB1       CYS   6 -10.037   4.187   4.838
   37    H    SER   7           H        SER   7  -8.616   5.683   7.986
   38    HA   SER   7           HA       SER   7 -10.003   5.169  10.581
   39   1HB   SER   7          HB2       SER   7  -7.472   6.700   9.928
   40   2HB   SER   7          HB1       SER   7  -8.232   6.706  11.517
   41    HG   SER   7           HG       SER   7  -7.013   4.593  10.107
   42    H    SER   8           H        SER   8 -10.680   6.797   7.933
   43    HA   SER   8           HA       SER   8 -11.857   9.067   9.448
   44   1HB   SER   8          HB2       SER   8  -9.772   9.252   7.413
   45   2HB   SER   8          HB1       SER   8 -11.203  10.182   6.979
   46    HG   SER   8           HG       SER   8  -9.831  10.287   9.467
   47    HA   PRO   9           HA       PRO   9 -15.347   7.918   7.013
   48   1HB   PRO   9          HB2       PRO   9 -16.887  10.132   7.546
   49   2HB   PRO   9          HB1       PRO   9 -16.634   8.815   8.706
   50   1HG   PRO   9          HG2       PRO   9 -15.461  11.557   8.694
   51   2HG   PRO   9          HG1       PRO   9 -15.749  10.465  10.059
   52   1HD   PRO   9          HD2       PRO   9 -13.253  10.931   8.801
   53   2HD   PRO   9          HD1       PRO   9 -13.621   9.624   9.946
   54    H    GLU  10           H        GLU  10 -14.214  11.301   6.710
   55    HA   GLU  10           HA       GLU  10 -15.449  11.887   4.225
   56   1HB   GLU  10          HB2       GLU  10 -14.155  13.460   5.818
   57   2HB   GLU  10          HB1       GLU  10 -12.708  12.903   4.978
   58   1HG   GLU  10          HG2       GLU  10 -13.139  14.487   3.429
   59   2HG   GLU  10          HG1       GLU  10 -14.501  13.488   2.921
   60    H    ASN  11           H        ASN  11 -12.344  10.326   4.955
   61    HA   ASN  11           HA       ASN  11 -11.137  10.183   2.478
   62   1HB   ASN  11          HB2       ASN  11 -10.258   9.116   4.544
   63   2HB   ASN  11          HB1       ASN  11 -11.466   7.844   4.376
   64   1HD2  ASN  11          1HD2      ASN  11  -9.494   6.375   4.183
   65   2HD2  ASN  11          2HD2      ASN  11  -8.754   6.221   2.665
   66    HA   PRO  12           HA       PRO  12 -14.497   8.230   0.214
   67   1HB   PRO  12          HB2       PRO  12 -13.442   8.791  -2.261
   68   2HB   PRO  12          HB1       PRO  12 -14.376   9.957  -1.307
   69   1HG   PRO  12          HG2       PRO  12 -11.434   9.855  -1.791
   70   2HG   PRO  12          HG1       PRO  12 -12.463  11.249  -1.423
   71   1HD   PRO  12          HD2       PRO  12 -10.780   9.907   0.411
   72   2HD   PRO  12          HD1       PRO  12 -12.059  11.069   0.827
   73    H    CYS  13           H        CYS  13 -11.049   7.630  -0.033
   74    HA   CYS  13           HA       CYS  13 -10.987   5.468  -1.831
   75   1HB   CYS  13          HB2       CYS  13  -9.085   6.668  -0.414
   76   2HB   CYS  13          HB1       CYS  13  -9.346   5.298   0.662
   77    H    CYS  14           H        CYS  14 -12.216   5.607   1.439
   78    HA   CYS  14           HA       CYS  14 -12.750   2.667   1.282
   79   1HB   CYS  14          HB2       CYS  14 -12.649   2.568   3.680
   80   2HB   CYS  14          HB1       CYS  14 -11.220   3.454   3.148
   81    H    ASP  15           H        ASP  15 -14.859   2.012   1.501
   82    HA   ASP  15           HA       ASP  15 -17.013   3.774   1.036
   83   1HB   ASP  15          HB2       ASP  15 -17.010   1.232   0.837
   84   2HB   ASP  15          HB1       ASP  15 -17.208   1.183   2.591
   85    H    ALA  16           H        ALA  16 -18.157   5.120   2.389
   86    HA   ALA  16           HA       ALA  16 -17.223   5.547   5.098
   87   1HB   ALA  16          HB1       ALA  16 -19.721   6.581   3.722
   88   2HB   ALA  16          HB2       ALA  16 -18.149   7.379   3.718
   89   3HB   ALA  16          HB3       ALA  16 -19.045   7.201   5.228
   90    H    ALA  17           H        ALA  17 -19.938   3.820   3.647
   91    HA   ALA  17           HA       ALA  17 -21.353   3.394   6.134
   92   1HB   ALA  17          HB1       ALA  17 -22.070   3.087   3.569
   93   2HB   ALA  17          HB2       ALA  17 -22.859   2.195   4.869
   94   3HB   ALA  17          HB3       ALA  17 -21.597   1.422   3.908
   95    H    THR  18           H        THR  18 -18.979   1.497   4.283
   96    HA   THR  18           HA       THR  18 -18.842  -0.399   6.589
   97    HB   THR  18           HB       THR  18 -18.001  -2.052   5.062
   98    HG1  THR  18           HG1      THR  18 -16.699  -1.130   3.663
   99   1HG2  THR  18          1HG2      THR  18 -20.208  -0.480   3.703
  100   2HG2  THR  18          2HG2      THR  18 -20.437  -1.677   4.978
  101   3HG2  THR  18          3HG2      THR  18 -19.819  -2.173   3.402
  102    H    CYS  19           H        CYS  19 -17.442   2.320   5.858
  103    HA   CYS  19           HA       CYS  19 -15.228   3.188   5.833
  104   1HB   CYS  19          HB2       CYS  19 -14.019   2.227   7.973
  105   2HB   CYS  19          HB1       CYS  19 -15.406   3.286   8.135
  106    H    LYS  20           H        LYS  20 -15.356   0.935   4.049
  107    HA   LYS  20           HA       LYS  20 -12.563  -0.046   4.444
  108   1HB   LYS  20          HB2       LYS  20 -14.932  -1.743   3.625
  109   2HB   LYS  20          HB1       LYS  20 -13.251  -2.277   3.595
  110   1HG   LYS  20          HG2       LYS  20 -13.709  -1.155   6.163
  111   2HG   LYS  20          HG1       LYS  20 -15.071  -2.222   5.819
  112   1HD   LYS  20          HD2       LYS  20 -12.131  -2.941   5.723
  113   2HD   LYS  20          HD1       LYS  20 -13.339  -3.553   6.852
  114   1HE   LYS  20          HE2       LYS  20 -14.201  -3.947   4.109
  115   2HE   LYS  20          HE1       LYS  20 -12.626  -4.691   4.384
  116   1HZ   LYS  20          HZ1       LYS  20 -14.045  -5.319   6.617
  117   2HZ   LYS  20          HZ2       LYS  20 -13.765  -6.351   5.298
  118   3HZ   LYS  20          HZ3       LYS  20 -15.201  -5.449   5.384
  119    H    LEU  21           H        LEU  21 -11.505  -0.687   2.443
  120    HA   LEU  21           HA       LEU  21 -11.589   1.084   0.353
  121   1HB   LEU  21          HB2       LEU  21 -10.829  -1.806   0.505
  122   2HB   LEU  21          HB1       LEU  21 -10.908  -1.053  -1.087
  123    HG   LEU  21           HG       LEU  21  -9.566   0.741   0.703
  124   1HD1  LEU  21          1HD1      LEU  21  -9.185  -1.884   1.531
  125   2HD1  LEU  21          2HD1      LEU  21  -8.104  -0.534   1.872
  126   3HD1  LEU  21          3HD1      LEU  21  -7.795  -1.583   0.487
  127   1HD2  LEU  21          1HD2      LEU  21  -8.033  -0.803  -1.317
  128   2HD2  LEU  21          2HD2      LEU  21  -8.179   0.942  -1.109
  129   3HD2  LEU  21          3HD2      LEU  21  -9.458   0.041  -1.924
  130    H    ARG  22           H        ARG  22 -13.431   1.763  -0.635
  131    HA   ARG  22           HA       ARG  22 -15.541  -0.165  -1.330
  132   1HB   ARG  22          HB2       ARG  22 -15.804   2.310  -0.470
  133   2HB   ARG  22          HB1       ARG  22 -15.600   2.710  -2.176
  134   1HG   ARG  22          HG2       ARG  22 -17.389   0.813  -2.537
  135   2HG   ARG  22          HG1       ARG  22 -17.790   1.145  -0.852
  136   1HD   ARG  22          HD2       ARG  22 -17.746   3.662  -1.676
  137   2HD   ARG  22          HD1       ARG  22 -18.051   2.921  -3.248
  138    HE   ARG  22           HE       ARG  22 -19.858   2.690  -0.884
  139   1HH1  ARG  22          1HH2      ARG  22 -20.453   4.234  -3.471
  140   2HH1  ARG  22          2HH2      ARG  22 -21.510   3.120  -4.275
  141   1HH2  ARG  22          1HH1      ARG  22 -20.661   0.438  -2.245
  142   2HH2  ARG  22          2HH1      ARG  22 -21.627   0.972  -3.581
  143    HA   PRO  23           HA       PRO  23 -14.203   1.238  -5.699
  144   1HB   PRO  23          HB2       PRO  23 -11.834   2.611  -5.929
  145   2HB   PRO  23          HB1       PRO  23 -13.408   3.396  -5.713
  146   1HG   PRO  23          HG2       PRO  23 -11.203   3.049  -3.744
  147   2HG   PRO  23          HG1       PRO  23 -12.479   4.275  -3.793
  148   1HD   PRO  23          HD2       PRO  23 -12.411   1.983  -2.123
  149   2HD   PRO  23          HD1       PRO  23 -13.797   3.065  -2.365
  150    H    GLY  24           H        GLY  24 -11.883   0.921  -7.104
  151   1HA   GLY  24          HA2       GLY  24 -11.032  -1.779  -6.282
  152   2HA   GLY  24          HA1       GLY  24 -10.683  -1.010  -7.830
  153    H    ALA  25           H        ALA  25 -10.098   0.750  -4.875
  154    HA   ALA  25           HA       ALA  25  -7.288   1.044  -5.550
  155   1HB   ALA  25          HB1       ALA  25  -9.074   1.989  -3.334
  156   2HB   ALA  25          HB2       ALA  25  -8.087   2.929  -4.451
  157   3HB   ALA  25          HB3       ALA  25  -7.328   2.070  -3.111
  158    H    GLN  26           H        GLN  26  -5.625   0.611  -3.673
  159    HA   GLN  26           HA       GLN  26  -6.120  -2.178  -2.719
  160   1HB   GLN  26          HB2       GLN  26  -3.936  -0.972  -4.128
  161   2HB   GLN  26          HB1       GLN  26  -3.359  -1.500  -2.546
  162   1HG   GLN  26          HG2       GLN  26  -3.122  -3.478  -3.720
  163   2HG   GLN  26          HG1       GLN  26  -4.780  -3.668  -3.151
  164   1HE2  GLN  26          1HE2      GLN  26  -3.064  -4.200  -5.858
  165   2HE2  GLN  26          2HE2      GLN  26  -4.212  -3.811  -7.046
  166    H    CYS  27           H        CYS  27  -5.834   1.007  -1.645
  167    HA   CYS  27           HA       CYS  27  -5.861   0.189   1.137
  168   1HB   CYS  27          HB2       CYS  27  -3.751   1.588   1.658
  169   2HB   CYS  27          HB1       CYS  27  -3.514  -0.034   1.003
  170    H    GLY  28           H        GLY  28  -6.932   1.738   2.286
  171   1HA   GLY  28          HA2       GLY  28  -7.383   4.352   0.929
  172   2HA   GLY  28          HA1       GLY  28  -8.482   3.628   2.098
  173    H    GLU  29           H        GLU  29  -5.277   3.200   3.062
  174    HA   GLU  29           HA       GLU  29  -4.846   5.790   4.289
  175   1HB   GLU  29          HB2       GLU  29  -5.327   5.261   6.563
  176   2HB   GLU  29          HB1       GLU  29  -6.746   4.759   5.647
  177   1HG   GLU  29          HG2       GLU  29  -6.488   2.749   6.657
  178   2HG   GLU  29          HG1       GLU  29  -5.135   2.513   5.552
  179    H    GLY  30           H        GLY  30  -2.997   5.590   5.959
  180   1HA   GLY  30          HA2       GLY  30  -1.109   4.204   6.761
  181   2HA   GLY  30          HA1       GLY  30  -1.193   3.315   5.240
  182    H    LEU  31           H        LEU  31   1.213   4.382   5.971
  183    HA   LEU  31           HA       LEU  31   1.470   6.920   4.488
  184   1HB   LEU  31          HB2       LEU  31   3.902   6.744   5.262
  185   2HB   LEU  31          HB1       LEU  31   2.698   7.057   6.497
  186    HG   LEU  31           HG       LEU  31   4.533   5.276   6.946
  187   1HD1  LEU  31          1HD1      LEU  31   3.191   4.635   8.630
  188   2HD1  LEU  31          2HD1      LEU  31   2.015   3.923   7.528
  189   3HD1  LEU  31          3HD1      LEU  31   1.953   5.648   7.889
  190   1HD2  LEU  31          1HD2      LEU  31   4.102   3.054   6.125
  191   2HD2  LEU  31          2HD2      LEU  31   4.128   4.128   4.734
  192   3HD2  LEU  31          3HD2      LEU  31   2.599   3.557   5.382
  193    H    CYS  32           H        CYS  32   1.623   3.631   3.904
  194    HA   CYS  32           HA       CYS  32   3.621   3.928   1.713
  195   1HB   CYS  32          HB2       CYS  32   2.319   1.487   2.957
  196   2HB   CYS  32          HB1       CYS  32   3.391   1.420   1.561
  197    H    CYS  33           H        CYS  33   0.489   4.584   2.035
  198    HA   CYS  33           HA       CYS  33  -0.393   3.156  -0.416
  199   1HB   CYS  33          HB2       CYS  33  -1.860   3.228   1.656
  200   2HB   CYS  33          HB1       CYS  33  -2.061   4.952   1.360
  201    H    GLU  34           H        GLU  34   0.259   4.226  -2.220
  202    HA   GLU  34           HA       GLU  34   0.006   7.201  -2.263
  203   1HB   GLU  34          HB2       GLU  34   2.175   5.703  -2.937
  204   2HB   GLU  34          HB1       GLU  34   1.366   5.807  -4.500
  205   1HG   GLU  34          HG2       GLU  34   2.817   7.708  -4.376
  206   2HG   GLU  34          HG1       GLU  34   1.184   8.315  -4.099
  207    H    GLN  35           H        GLN  35  -1.695   7.994  -3.418
  208    HA   GLN  35           HA       GLN  35  -3.485   8.070  -4.938
  209   1HB   GLN  35          HB2       GLN  35  -1.434   7.471  -6.475
  210   2HB   GLN  35          HB1       GLN  35  -2.182   5.875  -6.531
  211   1HG   GLN  35          HG2       GLN  35  -3.989   8.195  -6.970
  212   2HG   GLN  35          HG1       GLN  35  -2.834   7.846  -8.256
  213   1HE2  GLN  35          1HE2      GLN  35  -2.694   5.118  -8.363
  214   2HE2  GLN  35          2HE2      GLN  35  -4.221   4.432  -8.637
  215    H    CYS  36           H        CYS  36  -3.513   6.256  -2.664
  216    HA   CYS  36           HA       CYS  36  -4.898   4.578  -1.806
  217   1HB   CYS  36          HB2       CYS  36  -6.231   5.169  -4.431
  218   2HB   CYS  36          HB1       CYS  36  -6.753   3.805  -3.463
  219    H    LYS  37           H        LYS  37  -2.453   4.026  -3.554
  220    HA   LYS  37           HA       LYS  37  -3.136   1.174  -4.161
  221   1HB   LYS  37          HB2       LYS  37  -1.017   2.829  -5.559
  222   2HB   LYS  37          HB1       LYS  37  -1.576   1.215  -6.000
  223   1HG   LYS  37          HG2       LYS  37  -3.718   3.234  -5.810
  224   2HG   LYS  37          HG1       LYS  37  -2.544   3.534  -7.093
  225   1HD   LYS  37          HD2       LYS  37  -3.878   0.849  -6.672
  226   2HD   LYS  37          HD1       LYS  37  -4.512   2.079  -7.766
  227   1HE   LYS  37          HE2       LYS  37  -1.676   1.696  -8.209
  228   2HE   LYS  37          HE1       LYS  37  -2.537   0.163  -8.351
  229   1HZ   LYS  37          HZ1       LYS  37  -3.270   0.809 -10.320
  230   2HZ   LYS  37          HZ2       LYS  37  -2.473   2.302 -10.165
  231   3HZ   LYS  37          HZ3       LYS  37  -4.068   2.125  -9.609
  232    H    PHE  38           H        PHE  38  -1.775  -0.355  -3.274
  233    HA   PHE  38           HA       PHE  38  -0.127   0.269  -1.066
  234   1HB   PHE  38          HB2       PHE  38  -0.311  -2.110  -2.903
  235   2HB   PHE  38          HB1       PHE  38   0.939  -2.047  -1.660
  236    HD1  PHE  38           HD2      PHE  38  -0.281  -0.802   0.617
  237    HD2  PHE  38           HD1      PHE  38  -2.032  -3.521  -2.208
  238    HE1  PHE  38           HE2      PHE  38  -1.938  -1.510   2.321
  239    HE2  PHE  38           HE1      PHE  38  -3.689  -4.226  -0.504
  240    HZ   PHE  38           HZ       PHE  38  -3.642  -3.219   1.762
  241    H    SER  39           H        SER  39   1.563   1.713  -1.300
  242    HA   SER  39           HA       SER  39   3.089   2.293  -3.542
  243   1HB   SER  39          HB2       SER  39   3.300   3.403  -1.289
  244   2HB   SER  39          HB1       SER  39   4.245   2.018  -0.752
  245    HG   SER  39           HG       SER  39   5.748   2.488  -2.373
  246    H    ARG  40           H        ARG  40   5.400   1.593  -4.023
  247    HA   ARG  40           HA       ARG  40   5.469  -1.336  -4.179
  248   1HB   ARG  40          HB2       ARG  40   7.555   0.674  -5.082
  249   2HB   ARG  40          HB1       ARG  40   7.432  -1.014  -5.578
  250   1HG   ARG  40          HG2       ARG  40   4.974  -0.258  -6.275
  251   2HG   ARG  40          HG1       ARG  40   5.749   1.323  -6.377
  252   1HD   ARG  40          HD2       ARG  40   6.742  -1.185  -7.761
  253   2HD   ARG  40          HD1       ARG  40   5.830   0.104  -8.545
  254    HE   ARG  40           HE       ARG  40   7.858   1.561  -7.635
  255   1HH1  ARG  40          1HH1      ARG  40   7.649  -1.057  -9.751
  256   2HH1  ARG  40          2HH1      ARG  40   9.358  -1.228  -9.976
  257   1HH2  ARG  40          1HH2      ARG  40  10.179   1.095  -7.536
  258   2HH2  ARG  40          2HH2      ARG  40  10.791  -0.008  -8.723
  259    H    ALA  41           H        ALA  41   6.973  -2.674  -3.128
  260    HA   ALA  41           HA       ALA  41   7.791  -2.084  -0.527
  261   1HB   ALA  41          HB1       ALA  41   8.661  -4.175  -0.585
  262   2HB   ALA  41          HB2       ALA  41   9.748  -3.765  -1.912
  263   3HB   ALA  41          HB3       ALA  41   8.086  -4.247  -2.252
  264    H    GLY  42           H        GLY  42  10.124  -1.849   0.249
  265   1HA   GLY  42          HA2       GLY  42  12.153  -0.654   0.257
  266   2HA   GLY  42          HA1       GLY  42  12.055  -0.600  -1.504
  267    H    LYS  43           H        LYS  43   9.317   0.508   0.313
  268    HA   LYS  43           HA       LYS  43   9.933   3.286  -0.602
  269   1HB   LYS  43          HB2       LYS  43   7.801   2.642  -1.392
  270   2HB   LYS  43          HB1       LYS  43   7.380   1.855   0.127
  271   1HG   LYS  43          HG2       LYS  43   6.182   3.975  -0.038
  272   2HG   LYS  43          HG1       LYS  43   7.388   4.086   1.245
  273   1HD   LYS  43          HD2       LYS  43   8.745   5.521   0.038
  274   2HD   LYS  43          HD1       LYS  43   8.191   4.902  -1.520
  275   1HE   LYS  43          HE2       LYS  43   6.153   6.245   0.184
  276   2HE   LYS  43          HE1       LYS  43   7.380   7.279  -0.546
  277   1HZ   LYS  43          HZ1       LYS  43   5.993   5.259  -2.178
  278   2HZ   LYS  43          HZ2       LYS  43   6.731   6.710  -2.664
  279   3HZ   LYS  43          HZ3       LYS  43   5.240   6.744  -1.851
  280    H    ILE  44           H        ILE  44  10.853   4.553   0.912
  281    HA   ILE  44           HA       ILE  44  11.177   4.015   3.625
  282    HB   ILE  44           HB       ILE  44  12.305   5.845   2.337
  283   1HG1  ILE  44          2HG1      ILE  44  12.446   7.387   4.229
  284   2HG1  ILE  44          1HG1      ILE  44  10.929   6.767   4.881
  285   1HG2  ILE  44          1HG2      ILE  44  11.211   7.833   1.786
  286   2HG2  ILE  44          2HG2      ILE  44   9.932   7.576   2.971
  287   3HG2  ILE  44          3HG2      ILE  44   9.953   6.636   1.479
  288   1HD1  ILE  44          1HD1      ILE  44  13.105   4.797   4.331
  289   2HD1  ILE  44          2HD1      ILE  44  11.882   4.793   5.603
  290   3HD1  ILE  44          3HD1      ILE  44  13.288   5.849   5.734
  291    H    CYS  45           H        CYS  45   9.468   3.406   4.899
  292    HA   CYS  45           HA       CYS  45   6.987   5.061   4.843
  293   1HB   CYS  45          HB2       CYS  45   5.892   3.232   5.917
  294   2HB   CYS  45          HB1       CYS  45   6.869   2.531   4.648
  295    H    ARG  46           H        ARG  46   9.853   4.661   6.609
  296    HA   ARG  46           HA       ARG  46   8.911   6.530   8.655
  297   1HB   ARG  46          HB2       ARG  46   9.184   3.640   9.205
  298   2HB   ARG  46          HB1       ARG  46  10.032   4.685  10.343
  299   1HG   ARG  46          HG2       ARG  46   8.013   5.893  10.863
  300   2HG   ARG  46          HG1       ARG  46   7.135   5.097   9.556
  301   1HD   ARG  46          HD2       ARG  46   6.542   3.458  10.978
  302   2HD   ARG  46          HD1       ARG  46   8.243   3.045  11.182
  303    HE   ARG  46           HE       ARG  46   8.199   4.909  12.992
  304   1HH1  ARG  46          1HH2      ARG  46   5.972   2.395  12.406
  305   2HH1  ARG  46          2HH2      ARG  46   4.978   2.752  13.781
  306   1HH2  ARG  46          1HH1      ARG  46   6.723   5.624  14.632
  307   2HH2  ARG  46          2HH1      ARG  46   5.403   4.578  15.040
  308    H    ILE  47           H        ILE  47  10.903   6.743  10.332
  309    HA   ILE  47           HA       ILE  47  13.422   6.532   8.741
  310    HB   ILE  47           HB       ILE  47  12.253   8.888   8.940
  311   1HG1  ILE  47          2HG1      ILE  47  15.163   8.757   9.721
  312   2HG1  ILE  47          1HG1      ILE  47  14.621   8.234   8.126
  313   1HG2  ILE  47          1HG2      ILE  47  13.862   8.944  11.492
  314   2HG2  ILE  47          2HG2      ILE  47  12.146   8.540  11.513
  315   3HG2  ILE  47          3HG2      ILE  47  12.673  10.113  10.915
  316   1HD1  ILE  47          1HD1      ILE  47  14.547  10.370   7.440
  317   2HD1  ILE  47          2HD1      ILE  47  15.111  10.894   9.027
  318   3HD1  ILE  47          3HD1      ILE  47  13.383  10.744   8.709
  319    HA   PRO  48           HA       PRO  48  14.927   4.770  12.497
  320   1HB   PRO  48          HB2       PRO  48  17.596   4.807  11.839
  321   2HB   PRO  48          HB1       PRO  48  16.444   3.630  11.186
  322   1HG   PRO  48          HG2       PRO  48  17.680   5.988   9.846
  323   2HG   PRO  48          HG1       PRO  48  17.056   4.491   9.133
  324   1HD   PRO  48          HD2       PRO  48  15.733   6.994   9.175
  325   2HD   PRO  48          HD1       PRO  48  15.002   5.434   8.747
  326    H    ARG  49           H        ARG  49  16.541   5.355  14.261
  327    HA   ARG  49           HA       ARG  49  16.947   8.316  14.364
  328   1HB   ARG  49          HB2       ARG  49  16.415   6.426  16.675
  329   2HB   ARG  49          HB1       ARG  49  16.602   8.179  16.784
  330   1HG   ARG  49          HG2       ARG  49  14.556   7.123  14.882
  331   2HG   ARG  49          HG1       ARG  49  14.189   7.040  16.605
  332   1HD   ARG  49          HD2       ARG  49  15.338   9.615  15.778
  333   2HD   ARG  49          HD1       ARG  49  13.790   9.256  15.014
  334    HE   ARG  49           HE       ARG  49  12.758   9.236  17.197
  335   1HH1  ARG  49          1HH2      ARG  49  15.351  11.242  17.025
  336   2HH1  ARG  49          2HH2      ARG  49  15.733  11.239  18.715
  337   1HH2  ARG  49          1HH1      ARG  49  13.591   8.618  19.468
  338   2HH2  ARG  49          2HH1      ARG  49  14.739   9.752  20.096
  339    H    GLY  50           H        GLY  50  18.770   5.956  13.554
  340   1HA   GLY  50          HA1       GLY  50  21.251   6.639  13.870
  341   2HA   GLY  50          HA2       GLY  50  20.912   6.418  15.586
  342    H    ASP  51           H        ASP  51  20.517   4.261  16.360
  343    HA   ASP  51           HA       ASP  51  22.025   2.232  14.927
  344   1HB   ASP  51          HB2       ASP  51  21.470   0.790  16.836
  345   2HB   ASP  51          HB1       ASP  51  22.005   2.373  17.401
  346    H    MET  52           H        MET  52  18.980   3.349  14.377
  347    HA   MET  52           HA       MET  52  17.862   0.655  13.766
  348   1HB   MET  52          HB2       MET  52  16.693   3.336  14.328
  349   2HB   MET  52          HB1       MET  52  15.834   2.323  13.167
  350   1HG   MET  52          HG2       MET  52  16.749   0.999  15.668
  351   2HG   MET  52          HG1       MET  52  15.417   2.143  15.821
  352   1HE   MET  52          HE1       MET  52  13.163   1.668  15.491
  353   2HE   MET  52          HE2       MET  52  12.465   0.679  14.210
  354   3HE   MET  52          HE3       MET  52  13.433   2.092  13.794
  355    HA   PRO  53           HA       PRO  53  18.609   1.360   9.474
  356   1HB   PRO  53          HB2       PRO  53  16.949  -0.603   8.509
  357   2HB   PRO  53          HB1       PRO  53  18.519  -0.938   9.259
  358   1HG   PRO  53          HG2       PRO  53  15.789  -1.360  10.368
  359   2HG   PRO  53          HG1       PRO  53  17.304  -2.177  10.781
  360   1HD   PRO  53          HD2       PRO  53  16.043  -0.112  12.277
  361   2HD   PRO  53          HD1       PRO  53  17.677  -0.758  12.538
  362    H    ASP  54           H        ASP  54  17.311   1.834   7.425
  363    HA   ASP  54           HA       ASP  54  15.164   3.708   8.007
  364   1HB   ASP  54          HB2       ASP  54  16.121   2.585   5.352
  365   2HB   ASP  54          HB1       ASP  54  15.053   3.974   5.553
  366    H    ASP  55           H        ASP  55  12.938   3.430   7.599
  367    HA   ASP  55           HA       ASP  55  12.060   0.606   7.409
  368   1HB   ASP  55          HB2       ASP  55  10.426   3.112   7.913
  369   2HB   ASP  55          HB1       ASP  55   9.876   1.447   8.111
  370    H    ARG  56           H        ARG  56  11.547  -0.185   5.424
  371    HA   ARG  56           HA       ARG  56  10.510   1.738   3.382
  372   1HB   ARG  56          HB2       ARG  56  12.027  -0.827   2.878
  373   2HB   ARG  56          HB1       ARG  56  11.533   0.363   1.675
  374   1HG   ARG  56          HG2       ARG  56  12.941   1.826   3.615
  375   2HG   ARG  56          HG1       ARG  56  13.884   0.356   3.371
  376   1HD   ARG  56          HD2       ARG  56  13.475   0.840   0.826
  377   2HD   ARG  56          HD1       ARG  56  13.150   2.482   1.378
  378    HE   ARG  56           HE       ARG  56  15.723   1.099   2.021
  379   1HH1  ARG  56          1HH1      ARG  56  15.255   3.780   3.205
  380   2HH1  ARG  56          2HH1      ARG  56  15.989   4.838   2.047
  381   1HH2  ARG  56          1HH2      ARG  56  16.075   2.455  -0.472
  382   2HH2  ARG  56          2HH2      ARG  56  16.455   4.088  -0.034
  383    H    CYS  57           H        CYS  57   8.546   1.272   2.500
  384    HA   CYS  57           HA       CYS  57   6.796  -0.633   3.612
  385   1HB   CYS  57          HB2       CYS  57   6.646   0.279   0.734
  386   2HB   CYS  57          HB1       CYS  57   5.317  -0.161   1.802
  387    H    THR  58           H        THR  58   5.987  -2.633   2.697
  388    HA   THR  58           HA       THR  58   8.143  -4.220   1.453
  389    HB   THR  58           HB       THR  58   7.053  -6.104   2.293
  390    HG1  THR  58           HG1      THR  58   4.620  -4.852   2.764
  391   1HG2  THR  58          1HG2      THR  58   5.912  -4.019   4.155
  392   2HG2  THR  58          2HG2      THR  58   7.642  -4.349   4.078
  393   3HG2  THR  58          3HG2      THR  58   6.522  -5.625   4.557
  394    H    GLY  59           H        GLY  59   5.657  -2.343   0.339
  395   1HA   GLY  59          HA2       GLY  59   5.121  -2.169  -2.007
  396   2HA   GLY  59          HA1       GLY  59   5.601  -3.852  -2.215
  397    H    GLN  60           H        GLN  60   3.951  -4.289   0.414
  398    HA   GLN  60           HA       GLN  60   1.272  -4.287  -0.915
  399   1HB   GLN  60          HB2       GLN  60   2.618  -6.471   0.688
  400   2HB   GLN  60          HB1       GLN  60   0.880  -6.449   0.387
  401   1HG   GLN  60          HG2       GLN  60   2.795  -6.139  -1.910
  402   2HG   GLN  60          HG1       GLN  60   2.446  -7.746  -1.268
  403   1HE2  GLN  60          1HE2      GLN  60   1.554  -6.047  -3.813
  404   2HE2  GLN  60          2HE2      GLN  60  -0.110  -6.372  -3.889
  405    H    SER  61           H        SER  61   3.134  -3.441   1.834
  406    HA   SER  61           HA       SER  61   0.828  -3.426   3.672
  407   1HB   SER  61          HB2       SER  61   3.689  -2.481   3.967
  408   2HB   SER  61          HB1       SER  61   2.484  -2.349   5.243
  409    HG   SER  61           HG       SER  61   3.010  -4.792   3.925
  410    H    ALA  62           H        ALA  62  -0.430  -1.645   4.104
  411    HA   ALA  62           HA       ALA  62  -0.036   0.744   2.433
  412   1HB   ALA  62          HB1       ALA  62  -2.220  -0.428   4.017
  413   2HB   ALA  62          HB2       ALA  62  -2.296   0.570   2.565
  414   3HB   ALA  62          HB3       ALA  62  -2.120   1.328   4.147
  415    H    ASP  63           H        ASP  63  -0.185   0.002   5.925
  416    HA   ASP  63           HA       ASP  63   0.714   2.709   6.605
  417   1HB   ASP  63          HB2       ASP  63   0.616   0.347   8.485
  418   2HB   ASP  63          HB1       ASP  63   0.435   2.060   8.869
  419    H    CYS  64           H        CYS  64   2.615   2.494   8.475
  420    HA   CYS  64           HA       CYS  64   4.885   1.268   6.987
  421   1HB   CYS  64          HB2       CYS  64   5.176   3.638   7.438
  422   2HB   CYS  64          HB1       CYS  64   4.798   3.404   9.127
  423    HA   PRO  65           HA       PRO  65   4.629  -1.772  10.246
  424   1HB   PRO  65          HB2       PRO  65   6.141  -3.584   8.861
  425   2HB   PRO  65          HB1       PRO  65   4.402  -3.389   8.626
  426   1HG   PRO  65          HG2       PRO  65   6.663  -2.551   6.882
  427   2HG   PRO  65          HG1       PRO  65   4.983  -2.907   6.447
  428   1HD   PRO  65          HD2       PRO  65   6.113  -0.335   6.727
  429   2HD   PRO  65          HD1       PRO  65   4.380  -0.713   6.621
  430    H    ARG  66           H        ARG  66   6.500  -3.187  11.238
  431    HA   ARG  66           HA       ARG  66   9.094  -1.721  11.165
  432   1HB   ARG  66          HB2       ARG  66   9.230  -1.735  13.594
  433   2HB   ARG  66          HB1       ARG  66   7.720  -0.951  13.125
  434   1HG   ARG  66          HG2       ARG  66   6.505  -3.068  13.492
  435   2HG   ARG  66          HG1       ARG  66   8.014  -3.851  13.964
  436   1HD   ARG  66          HD2       ARG  66   7.079  -3.247  16.032
  437   2HD   ARG  66          HD1       ARG  66   8.195  -1.921  15.707
  438    HE   ARG  66           HE       ARG  66   6.209  -0.607  14.925
  439   1HH1  ARG  66          1HH1      ARG  66   6.106  -1.924  17.852
  440   2HH1  ARG  66          2HH1      ARG  66   4.394  -2.161  17.958
  441   1HH2  ARG  66          1HH2      ARG  66   3.838  -1.577  14.586
  442   2HH2  ARG  66          2HH2      ARG  66   3.109  -1.964  16.109
  443    H    TYR  67           H        TYR  67  10.901  -3.069  11.943
  444    HA   TYR  67           HA       TYR  67  10.259  -5.990  11.794
  445   1HB   TYR  67          HB2       TYR  67  12.945  -4.880  11.031
  446   2HB   TYR  67          HB1       TYR  67  12.166  -6.370  10.497
  447    HD1  TYR  67           HD1      TYR  67   9.639  -5.763   9.470
  448    HD2  TYR  67           HD2      TYR  67  13.159  -3.305   9.337
  449    HE1  TYR  67           HE1      TYR  67   8.735  -4.577   7.488
  450    HE2  TYR  67           HE2      TYR  67  12.255  -2.119   7.355
  451    HH   TYR  67           HH       TYR  67   9.110  -2.192   6.449
  452    H    HIS  68           H        HIS  68  10.158  -4.853  14.277
  453    HA   HIS  68           HA       HIS  68  12.570  -6.021  15.552
  454   1HB   HIS  68          HB2       HIS  68  11.507  -3.243  16.155
  455   2HB   HIS  68          HB1       HIS  68  12.751  -4.073  17.089
  456    HD1  HIS  68           HD1      HIS  68  15.100  -4.293  16.039
  457    HD2  HIS  68           HD2      HIS  68  12.360  -2.356  13.566
  458    HE1  HIS  68           HE1      HIS  68  16.439  -3.271  14.147
  Start of MODEL    5
    1   1H    GLY   1          HT1       GLY   1 -12.607 -10.206   9.886
    2   2H    GLY   1          HT2       GLY   1 -12.535 -11.565  10.905
    3   3H    GLY   1          HT3       GLY   1 -11.264 -11.240   9.825
    4   1HA   GLY   1          HA1       GLY   1 -11.939  -9.917  12.360
    5   2HA   GLY   1          HA2       GLY   1 -10.370 -10.468  11.772
    6    H    LYS   2           H        LYS   2 -10.882  -9.277   9.079
    7    HA   LYS   2           HA       LYS   2 -10.203  -6.475   9.824
    8   1HB   LYS   2          HB2       LYS   2  -8.910  -8.193   8.146
    9   2HB   LYS   2          HB1       LYS   2  -9.945  -7.335   7.002
   10   1HG   LYS   2          HG2       LYS   2  -8.792  -5.394   7.230
   11   2HG   LYS   2          HG1       LYS   2  -8.645  -5.583   8.977
   12   1HD   LYS   2          HD2       LYS   2  -7.066  -7.417   7.218
   13   2HD   LYS   2          HD1       LYS   2  -6.507  -5.755   7.412
   14   1HE   LYS   2          HE2       LYS   2  -5.491  -6.542   9.287
   15   2HE   LYS   2          HE1       LYS   2  -7.099  -6.436  10.001
   16   1HZ   LYS   2          HZ1       LYS   2  -6.548  -8.843   8.476
   17   2HZ   LYS   2          HZ2       LYS   2  -7.370  -8.651   9.951
   18   3HZ   LYS   2          HZ3       LYS   2  -5.672  -8.676   9.919
   19    H    GLU   3           H        GLU   3 -12.192  -5.438  10.010
   20    HA   GLU   3           HA       GLU   3 -14.061  -5.669   7.687
   21   1HB   GLU   3          HB2       GLU   3 -14.538  -4.739  10.535
   22   2HB   GLU   3          HB1       GLU   3 -15.753  -4.702   9.259
   23   1HG   GLU   3          HG2       GLU   3 -15.441  -7.172   8.965
   24   2HG   GLU   3          HG1       GLU   3 -14.364  -7.158  10.363
   25    H    CYS   4           H        CYS   4 -11.765  -3.637   9.123
   26    HA   CYS   4           HA       CYS   4 -12.898  -1.329   7.606
   27   1HB   CYS   4          HB2       CYS   4 -13.090  -0.936  10.037
   28   2HB   CYS   4          HB1       CYS   4 -11.356  -1.211  10.215
   29    H    ASP   5           H        ASP   5 -11.510  -0.475   6.125
   30    HA   ASP   5           HA       ASP   5  -8.680  -1.432   6.196
   31   1HB   ASP   5          HB2       ASP   5 -10.345  -1.967   4.222
   32   2HB   ASP   5          HB1       ASP   5  -9.980  -0.312   3.729
   33    H    CYS   6           H        CYS   6 -10.488   1.231   6.914
   34    HA   CYS   6           HA       CYS   6  -8.150   3.010   6.500
   35   1HB   CYS   6          HB2       CYS   6  -9.559   4.804   5.592
   36   2HB   CYS   6          HB1       CYS   6  -9.651   3.379   4.557
   37    H    SER   7           H        SER   7  -7.825   4.276   8.294
   38    HA   SER   7           HA       SER   7  -9.629   3.938  10.564
   39   1HB   SER   7          HB2       SER   7  -7.245   5.792  10.348
   40   2HB   SER   7          HB1       SER   7  -7.985   5.170  11.821
   41    HG   SER   7           HG       SER   7  -7.196   3.181  11.382
   42    H    SER   8           H        SER   8 -10.056   5.772   7.931
   43    HA   SER   8           HA       SER   8 -11.171   8.055   9.512
   44   1HB   SER   8          HB2       SER   8 -10.967   8.810   6.797
   45   2HB   SER   8          HB1       SER   8 -10.006   9.406   8.149
   46    HG   SER   8           HG       SER   8  -8.598   8.518   6.691
   47    HA   PRO   9           HA       PRO   9 -14.954   6.313   7.846
   48   1HB   PRO   9          HB2       PRO   9 -16.618   7.884   9.369
   49   2HB   PRO   9          HB1       PRO   9 -15.834   6.415   9.976
   50   1HG   PRO   9          HG2       PRO   9 -15.177   9.267  10.546
   51   2HG   PRO   9          HG1       PRO   9 -14.882   7.828  11.536
   52   1HD   PRO   9          HD2       PRO   9 -12.957   9.178   9.957
   53   2HD   PRO   9          HD1       PRO   9 -12.768   7.571  10.690
   54    H    GLU  10           H        GLU  10 -13.640   9.411   7.534
   55    HA   GLU  10           HA       GLU  10 -15.904  10.374   5.847
   56   1HB   GLU  10          HB2       GLU  10 -14.762  11.799   7.734
   57   2HB   GLU  10          HB1       GLU  10 -13.483  12.024   6.540
   58   1HG   GLU  10          HG2       GLU  10 -14.847  13.225   5.098
   59   2HG   GLU  10          HG1       GLU  10 -16.323  12.463   5.694
   60    H    ASN  11           H        ASN  11 -13.283   8.521   5.476
   61    HA   ASN  11           HA       ASN  11 -12.021   9.810   3.183
   62   1HB   ASN  11          HB2       ASN  11 -11.194   7.939   4.962
   63   2HB   ASN  11          HB1       ASN  11 -11.678   6.899   3.626
   64   1HD2  ASN  11          1HD2      ASN  11  -9.421   6.376   3.131
   65   2HD2  ASN  11          2HD2      ASN  11  -8.399   7.516   2.401
   66    HA   PRO  12           HA       PRO  12 -15.116   8.205   0.400
   67   1HB   PRO  12          HB2       PRO  12 -13.995   9.261  -1.877
   68   2HB   PRO  12          HB1       PRO  12 -14.963  10.206  -0.732
   69   1HG   PRO  12          HG2       PRO  12 -12.010  10.213  -1.145
   70   2HG   PRO  12          HG1       PRO  12 -13.059  11.496  -0.522
   71   1HD   PRO  12          HD2       PRO  12 -11.411   9.794   1.032
   72   2HD   PRO  12          HD1       PRO  12 -12.695  10.857   1.649
   73    H    CYS  13           H        CYS  13 -11.743   7.476   0.415
   74    HA   CYS  13           HA       CYS  13 -11.776   5.664  -1.871
   75   1HB   CYS  13          HB2       CYS  13  -9.829   6.600   0.127
   76   2HB   CYS  13          HB1       CYS  13  -9.618   4.909  -0.328
   77    H    CYS  14           H        CYS  14 -13.000   5.482   1.272
   78    HA   CYS  14           HA       CYS  14 -13.238   2.530   1.013
   79   1HB   CYS  14          HB2       CYS  14 -12.618   2.197   3.356
   80   2HB   CYS  14          HB1       CYS  14 -11.308   3.021   2.514
   81    H    ASP  15           H        ASP  15 -15.259   1.813   1.561
   82    HA   ASP  15           HA       ASP  15 -17.415   3.617   1.990
   83   1HB   ASP  15          HB2       ASP  15 -17.603   1.232   1.152
   84   2HB   ASP  15          HB1       ASP  15 -17.351   0.701   2.812
   85    H    ALA  16           H        ALA  16 -17.971   4.701   3.811
   86    HA   ALA  16           HA       ALA  16 -16.577   4.245   6.312
   87   1HB   ALA  16          HB1       ALA  16 -18.975   5.808   6.653
   88   2HB   ALA  16          HB2       ALA  16 -18.154   6.307   5.174
   89   3HB   ALA  16          HB3       ALA  16 -17.296   6.341   6.714
   90    H    ALA  17           H        ALA  17 -19.703   3.319   4.979
   91    HA   ALA  17           HA       ALA  17 -20.984   2.511   7.388
   92   1HB   ALA  17          HB1       ALA  17 -22.196   2.623   5.264
   93   2HB   ALA  17          HB2       ALA  17 -22.311   0.992   5.923
   94   3HB   ALA  17          HB3       ALA  17 -21.197   1.331   4.600
   95    H    THR  18           H        THR  18 -18.805   0.731   5.200
   96    HA   THR  18           HA       THR  18 -18.718  -1.490   7.179
   97    HB   THR  18           HB       THR  18 -17.991  -2.881   5.450
   98    HG1  THR  18           HG1      THR  18 -17.090  -0.501   4.208
   99   1HG2  THR  18          1HG2      THR  18 -19.473  -0.747   3.899
  100   2HG2  THR  18          2HG2      THR  18 -20.264  -1.877   4.998
  101   3HG2  THR  18          3HG2      THR  18 -19.431  -2.478   3.565
  102    H    CYS  19           H        CYS  19 -16.913   1.204   6.012
  103    HA   CYS  19           HA       CYS  19 -14.908   2.101   6.884
  104   1HB   CYS  19          HB2       CYS  19 -15.684   0.573   8.936
  105   2HB   CYS  19          HB1       CYS  19 -14.303  -0.392   8.420
  106    H    LYS  20           H        LYS  20 -15.269  -0.086   4.659
  107    HA   LYS  20           HA       LYS  20 -12.360  -0.792   4.503
  108   1HB   LYS  20          HB2       LYS  20 -14.770  -2.208   3.334
  109   2HB   LYS  20          HB1       LYS  20 -13.098  -2.621   2.948
  110   1HG   LYS  20          HG2       LYS  20 -13.386  -2.442   5.805
  111   2HG   LYS  20          HG1       LYS  20 -14.628  -3.520   5.163
  112   1HD   LYS  20          HD2       LYS  20 -11.673  -3.710   4.508
  113   2HD   LYS  20          HD1       LYS  20 -12.507  -4.721   5.688
  114   1HE   LYS  20          HE2       LYS  20 -13.632  -4.541   2.919
  115   2HE   LYS  20          HE1       LYS  20 -12.202  -5.540   3.182
  116   1HZ   LYS  20          HZ1       LYS  20 -14.637  -5.756   4.856
  117   2HZ   LYS  20          HZ2       LYS  20 -13.335  -6.843   4.757
  118   3HZ   LYS  20          HZ3       LYS  20 -14.409  -6.681   3.452
  119    H    LEU  21           H        LEU  21 -11.627  -1.037   2.124
  120    HA   LEU  21           HA       LEU  21 -11.744   1.434   0.807
  121   1HB   LEU  21          HB2       LEU  21 -11.003  -1.336  -0.011
  122   2HB   LEU  21          HB1       LEU  21 -11.226  -0.143  -1.292
  123    HG   LEU  21           HG       LEU  21  -9.695   0.923   0.957
  124   1HD1  LEU  21          1HD1      LEU  21  -9.130  -1.767   0.223
  125   2HD1  LEU  21          2HD1      LEU  21  -8.191  -0.714   1.280
  126   3HD1  LEU  21          3HD1      LEU  21  -7.847  -0.761  -0.449
  127   1HD2  LEU  21          1HD2      LEU  21  -8.676   0.551  -1.840
  128   2HD2  LEU  21          2HD2      LEU  21  -8.485   1.931  -0.759
  129   3HD2  LEU  21          3HD2      LEU  21 -10.027   1.650  -1.565
  130    H    ARG  22           H        ARG  22 -12.524   1.278  -1.758
  131    HA   ARG  22           HA       ARG  22 -15.243   0.167  -1.930
  132   1HB   ARG  22          HB2       ARG  22 -14.719   2.993  -1.361
  133   2HB   ARG  22          HB1       ARG  22 -15.743   2.746  -2.776
  134   1HG   ARG  22          HG2       ARG  22 -17.214   1.269  -1.435
  135   2HG   ARG  22          HG1       ARG  22 -16.206   1.573  -0.020
  136   1HD   ARG  22          HD2       ARG  22 -16.918   3.769   0.190
  137   2HD   ARG  22          HD1       ARG  22 -17.289   3.921  -1.526
  138    HE   ARG  22           HE       ARG  22 -19.115   2.988   0.526
  139   1HH1  ARG  22          1HH2      ARG  22 -18.925   4.012  -2.609
  140   2HH1  ARG  22          2HH2      ARG  22 -20.148   2.960  -3.240
  141   1HH2  ARG  22          1HH1      ARG  22 -20.373   1.058  -0.349
  142   2HH2  ARG  22          2HH1      ARG  22 -20.967   1.286  -1.960
  143    HA   PRO  23           HA       PRO  23 -14.131   1.814  -6.239
  144   1HB   PRO  23          HB2       PRO  23 -12.022   3.556  -6.508
  145   2HB   PRO  23          HB1       PRO  23 -13.691   4.075  -6.216
  146   1HG   PRO  23          HG2       PRO  23 -11.390   3.975  -4.309
  147   2HG   PRO  23          HG1       PRO  23 -12.788   5.065  -4.326
  148   1HD   PRO  23          HD2       PRO  23 -12.491   2.854  -2.628
  149   2HD   PRO  23          HD1       PRO  23 -14.019   3.680  -2.988
  150    H    GLY  24           H        GLY  24 -12.003   1.729  -7.807
  151   1HA   GLY  24          HA2       GLY  24 -10.706  -0.777  -7.181
  152   2HA   GLY  24          HA1       GLY  24 -10.333   0.254  -8.562
  153    H    ALA  25           H        ALA  25 -10.055   0.500  -4.998
  154    HA   ALA  25           HA       ALA  25  -7.301   1.585  -5.425
  155   1HB   ALA  25          HB1       ALA  25  -9.534   2.414  -3.697
  156   2HB   ALA  25          HB2       ALA  25  -8.141   3.342  -4.253
  157   3HB   ALA  25          HB3       ALA  25  -7.992   2.284  -2.849
  158    H    GLN  26           H        GLN  26  -5.635   0.761  -4.076
  159    HA   GLN  26           HA       GLN  26  -6.188  -1.930  -3.005
  160   1HB   GLN  26          HB2       GLN  26  -3.875  -0.502  -4.026
  161   2HB   GLN  26          HB1       GLN  26  -3.513  -1.254  -2.471
  162   1HG   GLN  26          HG2       GLN  26  -3.088  -3.055  -3.851
  163   2HG   GLN  26          HG1       GLN  26  -4.813  -3.306  -3.585
  164   1HE2  GLN  26          1HE2      GLN  26  -2.412  -2.662  -5.996
  165   2HE2  GLN  26          2HE2      GLN  26  -3.475  -2.431  -7.300
  166    H    CYS  27           H        CYS  27  -5.240   1.276  -1.843
  167    HA   CYS  27           HA       CYS  27  -5.846   0.321   0.915
  168   1HB   CYS  27          HB2       CYS  27  -3.718   0.676   1.566
  169   2HB   CYS  27          HB1       CYS  27  -3.283   1.148  -0.067
  170    H    GLY  28           H        GLY  28  -6.848   1.897   2.245
  171   1HA   GLY  28          HA2       GLY  28  -8.062   4.137   0.728
  172   2HA   GLY  28          HA1       GLY  28  -8.632   3.526   2.279
  173    H    GLU  29           H        GLU  29  -5.655   3.486   3.091
  174    HA   GLU  29           HA       GLU  29  -4.846   6.267   3.119
  175   1HB   GLU  29          HB2       GLU  29  -5.200   6.648   5.527
  176   2HB   GLU  29          HB1       GLU  29  -6.730   6.388   4.700
  177   1HG   GLU  29          HG2       GLU  29  -7.175   4.628   6.022
  178   2HG   GLU  29          HG1       GLU  29  -5.681   3.844   5.510
  179    H    GLY  30           H        GLY  30  -2.759   6.512   4.078
  180   1HA   GLY  30          HA2       GLY  30  -1.329   4.884   5.759
  181   2HA   GLY  30          HA1       GLY  30  -1.225   4.021   4.227
  182    H    LEU  31           H        LEU  31   1.170   4.822   5.097
  183    HA   LEU  31           HA       LEU  31   1.704   7.483   3.912
  184   1HB   LEU  31          HB2       LEU  31   3.579   7.583   5.220
  185   2HB   LEU  31          HB1       LEU  31   2.621   6.503   6.206
  186    HG   LEU  31           HG       LEU  31   4.490   5.422   4.115
  187   1HD1  LEU  31          1HD1      LEU  31   6.089   6.587   5.274
  188   2HD1  LEU  31          2HD1      LEU  31   5.923   5.248   6.395
  189   3HD1  LEU  31          3HD1      LEU  31   5.078   6.752   6.705
  190   1HD2  LEU  31          1HD2      LEU  31   3.525   4.368   6.794
  191   2HD2  LEU  31          2HD2      LEU  31   4.403   3.463   5.565
  192   3HD2  LEU  31          3HD2      LEU  31   2.757   3.986   5.258
  193    H    CYS  32           H        CYS  32   2.252   4.072   3.456
  194    HA   CYS  32           HA       CYS  32   3.870   4.603   1.023
  195   1HB   CYS  32          HB2       CYS  32   3.060   1.933   2.194
  196   2HB   CYS  32          HB1       CYS  32   4.322   2.237   1.000
  197    H    CYS  33           H        CYS  33   1.220   5.512   0.968
  198    HA   CYS  33           HA       CYS  33  -0.103   3.532  -0.841
  199   1HB   CYS  33          HB2       CYS  33  -1.216   5.588   1.065
  200   2HB   CYS  33          HB1       CYS  33  -2.194   4.936  -0.247
  201    H    GLU  34           H        GLU  34   0.057   4.138  -2.937
  202    HA   GLU  34           HA       GLU  34   0.448   7.010  -3.583
  203   1HB   GLU  34          HB2       GLU  34   1.053   4.427  -4.918
  204   2HB   GLU  34          HB1       GLU  34   0.577   5.750  -5.983
  205   1HG   GLU  34          HG2       GLU  34   2.568   6.338  -3.835
  206   2HG   GLU  34          HG1       GLU  34   3.116   5.424  -5.241
  207    H    GLN  35           H        GLN  35  -1.652   7.855  -3.374
  208    HA   GLN  35           HA       GLN  35  -3.825   8.364  -4.101
  209   1HB   GLN  35          HB2       GLN  35  -3.094   6.621  -6.476
  210   2HB   GLN  35          HB1       GLN  35  -4.415   7.789  -6.403
  211   1HG   GLN  35          HG2       GLN  35  -2.074   9.171  -5.603
  212   2HG   GLN  35          HG1       GLN  35  -1.646   8.249  -7.045
  213   1HE2  GLN  35          1HE2      GLN  35  -2.575  11.258  -6.322
  214   2HE2  GLN  35          2HE2      GLN  35  -3.594  11.612  -7.633
  215    H    CYS  36           H        CYS  36  -3.799   6.497  -2.192
  216    HA   CYS  36           HA       CYS  36  -5.075   4.759  -1.272
  217   1HB   CYS  36          HB2       CYS  36  -6.668   5.277  -3.797
  218   2HB   CYS  36          HB1       CYS  36  -7.178   4.151  -2.539
  219    H    LYS  37           H        LYS  37  -2.833   4.295  -3.299
  220    HA   LYS  37           HA       LYS  37  -3.586   1.472  -3.946
  221   1HB   LYS  37          HB2       LYS  37  -3.239   3.240  -5.885
  222   2HB   LYS  37          HB1       LYS  37  -1.531   2.936  -5.564
  223   1HG   LYS  37          HG2       LYS  37  -1.627   0.961  -6.637
  224   2HG   LYS  37          HG1       LYS  37  -2.978   0.438  -5.631
  225   1HD   LYS  37          HD2       LYS  37  -4.557   1.089  -7.166
  226   2HD   LYS  37          HD1       LYS  37  -3.583   2.438  -7.750
  227   1HE   LYS  37          HE2       LYS  37  -2.414  -0.217  -8.269
  228   2HE   LYS  37          HE1       LYS  37  -3.933   0.085  -9.111
  229   1HZ   LYS  37          HZ1       LYS  37  -1.450   0.984  -9.847
  230   2HZ   LYS  37          HZ2       LYS  37  -2.215   2.355  -9.195
  231   3HZ   LYS  37          HZ3       LYS  37  -2.937   1.502 -10.476
  232    H    PHE  38           H        PHE  38  -2.056  -0.082  -3.387
  233    HA   PHE  38           HA       PHE  38  -0.123   0.547  -1.386
  234   1HB   PHE  38          HB2       PHE  38  -0.383  -1.872  -3.195
  235   2HB   PHE  38          HB1       PHE  38   0.742  -1.776  -1.841
  236    HD1  PHE  38           HD1      PHE  38  -0.918  -0.231   0.113
  237    HD2  PHE  38           HD2      PHE  38  -1.932  -3.511  -2.468
  238    HE1  PHE  38           HE1      PHE  38  -2.727  -0.901   1.672
  239    HE2  PHE  38           HE2      PHE  38  -3.744  -4.177  -0.911
  240    HZ   PHE  38           HZ       PHE  38  -4.142  -2.872   1.158
  241    H    SER  39           H        SER  39   1.740   1.665  -1.711
  242    HA   SER  39           HA       SER  39   2.867   2.192  -4.283
  243   1HB   SER  39          HB2       SER  39   4.291   2.245  -1.607
  244   2HB   SER  39          HB1       SER  39   4.772   3.100  -3.069
  245    HG   SER  39           HG       SER  39   2.175   3.496  -2.149
  246    H    ARG  40           H        ARG  40   5.695   1.510  -3.424
  247    HA   ARG  40           HA       ARG  40   5.552  -1.425  -3.993
  248   1HB   ARG  40          HB2       ARG  40   7.476   0.661  -5.047
  249   2HB   ARG  40          HB1       ARG  40   7.768  -1.073  -5.179
  250   1HG   ARG  40          HG2       ARG  40   6.628  -0.886  -7.140
  251   2HG   ARG  40          HG1       ARG  40   5.201  -0.899  -6.104
  252   1HD   ARG  40          HD2       ARG  40   4.988   1.452  -6.165
  253   2HD   ARG  40          HD1       ARG  40   6.644   1.675  -6.725
  254    HE   ARG  40           HE       ARG  40   4.464   0.549  -8.439
  255   1HH1  ARG  40          1HH2      ARG  40   5.395   3.460  -8.599
  256   2HH1  ARG  40          2HH2      ARG  40   6.475   3.386  -9.953
  257   1HH2  ARG  40          1HH1      ARG  40   6.720  -0.072  -9.905
  258   2HH2  ARG  40          2HH1      ARG  40   7.220   1.386 -10.694
  259    H    ALA  41           H        ALA  41   7.008  -2.731  -2.859
  260    HA   ALA  41           HA       ALA  41   7.775  -2.046  -0.265
  261   1HB   ALA  41          HB1       ALA  41   9.553  -3.892  -1.820
  262   2HB   ALA  41          HB2       ALA  41   7.865  -4.347  -1.593
  263   3HB   ALA  41          HB3       ALA  41   8.901  -4.078  -0.192
  264    H    GLY  42           H        GLY  42  10.181  -1.945   0.487
  265   1HA   GLY  42          HA2       GLY  42  12.239  -0.794   0.440
  266   2HA   GLY  42          HA1       GLY  42  12.089  -0.730  -1.318
  267    H    LYS  43           H        LYS  43   9.394   0.387   0.524
  268    HA   LYS  43           HA       LYS  43   9.974   3.154  -0.407
  269   1HB   LYS  43          HB2       LYS  43   7.795   2.507  -1.041
  270   2HB   LYS  43          HB1       LYS  43   7.480   1.729   0.506
  271   1HG   LYS  43          HG2       LYS  43   6.276   3.868   0.370
  272   2HG   LYS  43          HG1       LYS  43   7.522   3.947   1.616
  273   1HD   LYS  43          HD2       LYS  43   8.430   5.719   0.574
  274   2HD   LYS  43          HD1       LYS  43   8.741   4.708  -0.839
  275   1HE   LYS  43          HE2       LYS  43   6.824   5.402  -1.933
  276   2HE   LYS  43          HE1       LYS  43   5.963   5.740  -0.432
  277   1HZ   LYS  43          HZ1       LYS  43   8.276   7.330  -1.390
  278   2HZ   LYS  43          HZ2       LYS  43   7.229   7.703  -0.104
  279   3HZ   LYS  43          HZ3       LYS  43   6.662   7.743  -1.707
  280    H    ILE  44           H        ILE  44  11.061   4.379   1.024
  281    HA   ILE  44           HA       ILE  44  11.475   3.879   3.747
  282    HB   ILE  44           HB       ILE  44  12.774   5.541   2.514
  283   1HG1  ILE  44          2HG1      ILE  44  12.735   7.361   4.196
  284   2HG1  ILE  44          1HG1      ILE  44  11.182   6.770   4.788
  285   1HG2  ILE  44          1HG2      ILE  44  10.775   7.679   2.655
  286   2HG2  ILE  44          2HG2      ILE  44  10.303   6.373   1.569
  287   3HG2  ILE  44          3HG2      ILE  44  11.830   7.217   1.320
  288   1HD1  ILE  44          1HD1      ILE  44  12.186   4.646   5.434
  289   2HD1  ILE  44          2HD1      ILE  44  13.108   5.961   6.160
  290   3HD1  ILE  44          3HD1      ILE  44  13.731   5.130   4.735
  291    H    CYS  45           H        CYS  45   9.570   3.307   4.866
  292    HA   CYS  45           HA       CYS  45   7.333   5.260   4.935
  293   1HB   CYS  45          HB2       CYS  45   6.087   3.575   6.017
  294   2HB   CYS  45          HB1       CYS  45   7.003   2.716   4.813
  295    H    ARG  46           H        ARG  46  10.128   4.305   6.753
  296    HA   ARG  46           HA       ARG  46   9.575   6.440   8.702
  297   1HB   ARG  46          HB2       ARG  46   9.174   3.630   9.331
  298   2HB   ARG  46          HB1       ARG  46  10.419   4.341  10.354
  299   1HG   ARG  46          HG2       ARG  46   8.797   6.278  10.748
  300   2HG   ARG  46          HG1       ARG  46   7.560   5.261  10.009
  301   1HD   ARG  46          HD2       ARG  46   7.492   3.813  11.786
  302   2HD   ARG  46          HD1       ARG  46   9.212   3.994  12.132
  303    HE   ARG  46           HE       ARG  46   7.170   6.046  12.898
  304   1HH1  ARG  46          1HH2      ARG  46   8.681   3.701  14.505
  305   2HH1  ARG  46          2HH2      ARG  46   9.686   4.697  15.504
  306   1HH2  ARG  46          1HH1      ARG  46   9.074   7.592  13.698
  307   2HH2  ARG  46          2HH1      ARG  46   9.907   6.899  15.048
  308    H    ILE  47           H        ILE  47  11.490   7.231   9.633
  309    HA   ILE  47           HA       ILE  47  14.010   5.890   8.735
  310    HB   ILE  47           HB       ILE  47  13.570   7.990   7.479
  311   1HG1  ILE  47          2HG1      ILE  47  15.734   9.094   8.014
  312   2HG1  ILE  47          1HG1      ILE  47  15.828   8.150   9.501
  313   1HG2  ILE  47          1HG2      ILE  47  14.105   9.819   9.660
  314   2HG2  ILE  47          2HG2      ILE  47  12.651   8.875   9.989
  315   3HG2  ILE  47          3HG2      ILE  47  12.770   9.827   8.507
  316   1HD1  ILE  47          1HD1      ILE  47  15.519   6.838   6.798
  317   2HD1  ILE  47          2HD1      ILE  47  16.032   6.100   8.314
  318   3HD1  ILE  47          3HD1      ILE  47  17.102   7.221   7.473
  319    HA   PRO  48           HA       PRO  48  14.047   6.201  13.304
  320   1HB   PRO  48          HB2       PRO  48  15.077   3.676  13.663
  321   2HB   PRO  48          HB1       PRO  48  13.344   4.020  13.531
  322   1HG   PRO  48          HG2       PRO  48  15.177   2.803  11.516
  323   2HG   PRO  48          HG1       PRO  48  13.429   2.592  11.715
  324   1HD   PRO  48          HD2       PRO  48  14.681   4.230   9.783
  325   2HD   PRO  48          HD1       PRO  48  12.963   4.278  10.231
  326    H    ARG  49           H        ARG  49  15.785   7.497  13.808
  327    HA   ARG  49           HA       ARG  49  18.435   7.023  12.676
  328   1HB   ARG  49          HB2       ARG  49  17.497   8.935  14.840
  329   2HB   ARG  49          HB1       ARG  49  19.101   8.946  14.104
  330   1HG   ARG  49          HG2       ARG  49  18.023   9.274  11.871
  331   2HG   ARG  49          HG1       ARG  49  16.464   9.403  12.682
  332   1HD   ARG  49          HD2       ARG  49  18.609  11.134  13.767
  333   2HD   ARG  49          HD1       ARG  49  18.050  11.543  12.145
  334    HE   ARG  49           HE       ARG  49  16.397  11.607  14.607
  335   1HH1  ARG  49          1HH2      ARG  49  16.936  13.844  12.540
  336   2HH1  ARG  49          2HH2      ARG  49  15.396  13.915  11.749
  337   1HH2  ARG  49          1HH1      ARG  49  14.312  10.875  13.014
  338   2HH2  ARG  49          2HH1      ARG  49  13.911  12.234  12.018
  339    H    GLY  50           H        GLY  50  20.363   6.788  14.161
  340   1HA   GLY  50          HA2       GLY  50  21.156   6.093  16.414
  341   2HA   GLY  50          HA1       GLY  50  19.677   5.143  16.562
  342    H    ASP  51           H        ASP  51  20.040   2.997  16.270
  343    HA   ASP  51           HA       ASP  51  22.194   2.205  14.351
  344   1HB   ASP  51          HB2       ASP  51  22.371   0.110  15.722
  345   2HB   ASP  51          HB1       ASP  51  22.809   1.568  16.614
  346    H    MET  52           H        MET  52  18.986   2.497  14.462
  347    HA   MET  52           HA       MET  52  18.246  -0.189  13.504
  348   1HB   MET  52          HB2       MET  52  16.720   2.391  13.908
  349   2HB   MET  52          HB1       MET  52  15.994   0.989  13.121
  350   1HG   MET  52          HG2       MET  52  17.378   0.305  15.612
  351   2HG   MET  52          HG1       MET  52  16.052   1.445  15.854
  352   1HE   MET  52          HE1       MET  52  16.521  -2.681  15.268
  353   2HE   MET  52          HE2       MET  52  15.548  -2.335  16.694
  354   3HE   MET  52          HE3       MET  52  17.038  -1.439  16.416
  355    HA   PRO  53           HA       PRO  53  18.880   0.771   9.262
  356   1HB   PRO  53          HB2       PRO  53  17.206  -1.121   8.179
  357   2HB   PRO  53          HB1       PRO  53  18.787  -1.501   8.884
  358   1HG   PRO  53          HG2       PRO  53  16.066  -1.987  10.004
  359   2HG   PRO  53          HG1       PRO  53  17.581  -2.852  10.319
  360   1HD   PRO  53          HD2       PRO  53  16.385  -0.921  12.014
  361   2HD   PRO  53          HD1       PRO  53  18.040  -1.554  12.153
  362    H    ASP  54           H        ASP  54  17.506   1.239   7.210
  363    HA   ASP  54           HA       ASP  54  15.539   3.250   7.844
  364   1HB   ASP  54          HB2       ASP  54  16.200   1.912   5.202
  365   2HB   ASP  54          HB1       ASP  54  15.204   3.356   5.383
  366    H    ASP  55           H        ASP  55  13.278   3.150   7.660
  367    HA   ASP  55           HA       ASP  55  12.147   0.414   7.720
  368   1HB   ASP  55          HB2       ASP  55  11.580   2.750   9.134
  369   2HB   ASP  55          HB1       ASP  55  10.239   2.607   7.997
  370    H    ARG  56           H        ARG  56  12.151  -0.180   5.515
  371    HA   ARG  56           HA       ARG  56  10.730   1.602   3.606
  372   1HB   ARG  56          HB2       ARG  56  12.146  -1.014   3.044
  373   2HB   ARG  56          HB1       ARG  56  11.634   0.195   1.871
  374   1HG   ARG  56          HG2       ARG  56  13.331   1.324   3.968
  375   2HG   ARG  56          HG1       ARG  56  14.142   0.055   3.048
  376   1HD   ARG  56          HD2       ARG  56  13.492   1.198   0.938
  377   2HD   ARG  56          HD1       ARG  56  12.759   2.492   1.887
  378    HE   ARG  56           HE       ARG  56  15.270   2.530   2.881
  379   1HH1  ARG  56          1HH2      ARG  56  15.054   1.184  -0.144
  380   2HH1  ARG  56          2HH2      ARG  56  15.997   2.386  -0.961
  381   1HH2  ARG  56          1HH1      ARG  56  16.076   4.548   1.751
  382   2HH2  ARG  56          2HH1      ARG  56  16.574   4.291   0.112
  383    H    CYS  57           H        CYS  57   8.668   1.142   2.939
  384    HA   CYS  57           HA       CYS  57   7.126  -0.862   4.263
  385   1HB   CYS  57          HB2       CYS  57   6.682   0.965   1.955
  386   2HB   CYS  57          HB1       CYS  57   5.617  -0.431   2.088
  387    H    THR  58           H        THR  58   6.080  -2.715   3.246
  388    HA   THR  58           HA       THR  58   8.010  -4.308   1.716
  389    HB   THR  58           HB       THR  58   6.832  -6.134   2.472
  390    HG1  THR  58           HG1      THR  58   4.717  -6.305   2.243
  391   1HG2  THR  58          1HG2      THR  58   5.465  -4.175   4.316
  392   2HG2  THR  58          2HG2      THR  58   7.208  -4.439   4.402
  393   3HG2  THR  58          3HG2      THR  58   6.098  -5.778   4.690
  394    H    GLY  59           H        GLY  59   5.777  -2.059   0.819
  395   1HA   GLY  59          HA2       GLY  59   5.213  -1.588  -1.472
  396   2HA   GLY  59          HA1       GLY  59   5.533  -3.276  -1.870
  397    H    GLN  60           H        GLN  60   3.974  -4.796  -0.463
  398    HA   GLN  60           HA       GLN  60   1.278  -4.155  -1.334
  399   1HB   GLN  60          HB2       GLN  60   1.970  -6.334   0.633
  400   2HB   GLN  60          HB1       GLN  60   0.704  -6.321  -0.595
  401   1HG   GLN  60          HG2       GLN  60   2.828  -6.033  -2.208
  402   2HG   GLN  60          HG1       GLN  60   3.616  -6.886  -0.881
  403   1HE2  GLN  60          1HE2      GLN  60   3.571  -9.111  -1.170
  404   2HE2  GLN  60          2HE2      GLN  60   2.331  -9.974  -1.943
  405    H    SER  61           H        SER  61   3.115  -3.296   1.366
  406    HA   SER  61           HA       SER  61   0.830  -3.166   3.223
  407   1HB   SER  61          HB2       SER  61   3.617  -2.054   3.619
  408   2HB   SER  61          HB1       SER  61   2.428  -2.438   4.860
  409    HG   SER  61           HG       SER  61   3.604  -4.299   3.063
  410    H    ALA  62           H        ALA  62  -0.104  -1.223   3.930
  411    HA   ALA  62           HA       ALA  62   0.378   1.118   2.140
  412   1HB   ALA  62          HB1       ALA  62  -1.852   1.814   3.445
  413   2HB   ALA  62          HB2       ALA  62  -1.968   0.070   3.681
  414   3HB   ALA  62          HB3       ALA  62  -1.908   0.738   2.049
  415    H    ASP  63           H        ASP  63  -0.246   0.367   5.588
  416    HA   ASP  63           HA       ASP  63   0.722   3.007   6.403
  417   1HB   ASP  63          HB2       ASP  63  -0.469   0.634   7.718
  418   2HB   ASP  63          HB1       ASP  63   0.692   1.528   8.702
  419    H    CYS  64           H        CYS  64   2.620   3.179   7.919
  420    HA   CYS  64           HA       CYS  64   4.881   1.741   6.783
  421   1HB   CYS  64          HB2       CYS  64   5.229   4.040   7.429
  422   2HB   CYS  64          HB1       CYS  64   4.657   3.731   9.043
  423    HA   PRO  65           HA       PRO  65   4.442  -1.533   9.755
  424   1HB   PRO  65          HB2       PRO  65   6.322  -3.107   8.531
  425   2HB   PRO  65          HB1       PRO  65   4.636  -3.029   8.014
  426   1HG   PRO  65          HG2       PRO  65   7.070  -1.865   6.753
  427   2HG   PRO  65          HG1       PRO  65   5.533  -2.330   6.005
  428   1HD   PRO  65          HD2       PRO  65   6.326   0.297   6.630
  429   2HD   PRO  65          HD1       PRO  65   4.678  -0.223   6.230
  430    H    ARG  66           H        ARG  66   5.966  -2.519  11.328
  431    HA   ARG  66           HA       ARG  66   8.483  -0.929  11.617
  432   1HB   ARG  66          HB2       ARG  66   8.156  -1.251  14.101
  433   2HB   ARG  66          HB1       ARG  66   6.942  -0.225  13.335
  434   1HG   ARG  66          HG2       ARG  66   5.268  -1.808  13.543
  435   2HG   ARG  66          HG1       ARG  66   6.399  -3.162  13.487
  436   1HD   ARG  66          HD2       ARG  66   5.548  -2.990  15.748
  437   2HD   ARG  66          HD1       ARG  66   7.232  -2.471  15.757
  438    HE   ARG  66           HE       ARG  66   6.371  -0.114  15.785
  439   1HH1  ARG  66          1HH2      ARG  66   3.570  -1.691  15.318
  440   2HH1  ARG  66          2HH2      ARG  66   2.776  -1.185  16.771
  441   1HH2  ARG  66          1HH1      ARG  66   5.657   0.100  18.212
  442   2HH2  ARG  66          2HH1      ARG  66   3.959  -0.170  18.411
  443    H    TYR  67           H        TYR  67  10.338  -2.096  12.027
  444    HA   TYR  67           HA       TYR  67  10.086  -5.050  11.933
  445   1HB   TYR  67          HB2       TYR  67  11.696  -3.681  10.451
  446   2HB   TYR  67          HB1       TYR  67  12.660  -3.468  11.912
  447    HD1  TYR  67           HD1      TYR  67  11.149  -6.043   9.679
  448    HD2  TYR  67           HD2      TYR  67  14.058  -5.204  12.725
  449    HE1  TYR  67           HE1      TYR  67  12.129  -8.300   9.363
  450    HE2  TYR  67           HE2      TYR  67  15.038  -7.459  12.410
  451    HH   TYR  67           HH       TYR  67  14.827  -9.232   9.970
  452    H    HIS  68           H        HIS  68   9.510  -5.595  14.064
  453    HA   HIS  68           HA       HIS  68   9.898  -6.068  16.329
  454   1HB   HIS  68          HB2       HIS  68  12.681  -5.530  15.305
  455   2HB   HIS  68          HB1       HIS  68  12.400  -5.832  17.020
  456    HD1  HIS  68           HD1      HIS  68  13.567  -8.155  16.946
  457    HD2  HIS  68           HD2      HIS  68  10.308  -7.838  14.368
  458    HE1  HIS  68           HE1      HIS  68  13.037 -10.506  16.172
  Start of MODEL    6
    1   1H    GLY   1          HT1       GLY   1 -12.149  -8.902  11.226
    2   2H    GLY   1          HT2       GLY   1 -12.167 -10.323  12.158
    3   3H    GLY   1          HT3       GLY   1 -10.692  -9.560  11.792
    4   1HA   GLY   1          HA1       GLY   1 -12.751  -8.806  13.744
    5   2HA   GLY   1          HA2       GLY   1 -10.998  -8.836  13.925
    6    H    LYS   2           H        LYS   2 -10.034  -7.331  11.928
    7    HA   LYS   2           HA       LYS   2 -11.018  -4.642  12.611
    8   1HB   LYS   2          HB2       LYS   2  -8.513  -5.680  12.050
    9   2HB   LYS   2          HB1       LYS   2  -8.922  -4.824  10.564
   10   1HG   LYS   2          HG2       LYS   2  -9.202  -2.760  11.697
   11   2HG   LYS   2          HG1       LYS   2  -9.294  -3.545  13.273
   12   1HD   LYS   2          HD2       LYS   2  -6.825  -3.573  11.516
   13   2HD   LYS   2          HD1       LYS   2  -7.084  -2.426  12.833
   14   1HE   LYS   2          HE2       LYS   2  -7.590  -5.152  13.702
   15   2HE   LYS   2          HE1       LYS   2  -5.959  -4.981  13.052
   16   1HZ   LYS   2          HZ1       LYS   2  -7.152  -3.167  15.075
   17   2HZ   LYS   2          HZ2       LYS   2  -5.542  -3.169  14.529
   18   3HZ   LYS   2          HZ3       LYS   2  -6.132  -4.471  15.448
   19    H    GLU   3           H        GLU   3 -12.962  -4.323  11.506
   20    HA   GLU   3           HA       GLU   3 -12.982  -4.827   8.571
   21   1HB   GLU   3          HB2       GLU   3 -14.869  -5.637  10.094
   22   2HB   GLU   3          HB1       GLU   3 -15.311  -3.939  10.283
   23   1HG   GLU   3          HG2       GLU   3 -15.852  -3.698   8.002
   24   2HG   GLU   3          HG1       GLU   3 -14.946  -5.140   7.543
   25    H    CYS   4           H        CYS   4 -11.364  -2.863   8.716
   26    HA   CYS   4           HA       CYS   4 -12.770  -0.595   7.634
   27   1HB   CYS   4          HB2       CYS   4 -13.230  -0.115   9.993
   28   2HB   CYS   4          HB1       CYS   4 -11.512  -0.258  10.374
   29    H    ASP   5           H        ASP   5 -11.380   0.505   6.321
   30    HA   ASP   5           HA       ASP   5  -8.456  -0.022   6.664
   31   1HB   ASP   5          HB2       ASP   5  -9.719  -1.088   4.650
   32   2HB   ASP   5          HB1       ASP   5  -9.756   0.551   4.002
   33    H    CYS   6           H        CYS   6 -10.923   2.292   6.571
   34    HA   CYS   6           HA       CYS   6  -8.911   4.466   6.154
   35   1HB   CYS   6          HB2       CYS   6 -11.684   4.125   5.088
   36   2HB   CYS   6          HB1       CYS   6 -11.157   5.753   5.511
   37    H    SER   7           H        SER   7  -8.598   5.492   8.075
   38    HA   SER   7           HA       SER   7 -10.317   5.135  10.343
   39   1HB   SER   7          HB2       SER   7  -8.098   7.090   9.726
   40   2HB   SER   7          HB1       SER   7  -8.981   7.136  11.250
   41    HG   SER   7           HG       SER   7  -7.196   5.813  11.497
   42    H    SER   8           H        SER   8 -10.367   7.378   7.685
   43    HA   SER   8           HA       SER   8 -12.244   9.170   9.109
   44   1HB   SER   8          HB2       SER   8 -11.477   9.458   6.216
   45   2HB   SER   8          HB1       SER   8 -11.904  10.711   7.377
   46    HG   SER   8           HG       SER   8  -9.803  10.875   7.538
   47    HA   PRO   9           HA       PRO   9 -15.638   6.933   7.310
   48   1HB   PRO   9          HB2       PRO   9 -17.605   8.584   8.285
   49   2HB   PRO   9          HB1       PRO   9 -16.780   7.363   9.268
   50   1HG   PRO   9          HG2       PRO   9 -16.450  10.326   9.288
   51   2HG   PRO   9          HG1       PRO   9 -16.156   9.156  10.586
   52   1HD   PRO   9          HD2       PRO   9 -14.177  10.369   8.958
   53   2HD   PRO   9          HD1       PRO   9 -13.938   8.979  10.040
   54    H    GLU  10           H        GLU  10 -14.644  10.121   6.587
   55    HA   GLU  10           HA       GLU  10 -16.723  10.440   4.479
   56   1HB   GLU  10          HB2       GLU  10 -16.225  12.346   6.061
   57   2HB   GLU  10          HB1       GLU  10 -14.615  12.435   5.350
   58   1HG   GLU  10          HG2       GLU  10 -16.186  12.415   3.108
   59   2HG   GLU  10          HG1       GLU  10 -17.210  13.299   4.241
   60    H    ASN  11           H        ASN  11 -13.680   9.138   4.832
   61    HA   ASN  11           HA       ASN  11 -12.227  10.104   2.608
   62   1HB   ASN  11          HB2       ASN  11 -11.315   8.543   4.319
   63   2HB   ASN  11          HB1       ASN  11 -12.310   7.255   3.641
   64   1HD2  ASN  11          1HD2      ASN  11  -9.256   7.659   3.701
   65   2HD2  ASN  11          2HD2      ASN  11  -8.787   7.475   2.081
   66    HA   PRO  12           HA       PRO  12 -14.926   8.596  -0.609
   67   1HB   PRO  12          HB2       PRO  12 -13.467   9.655  -2.680
   68   2HB   PRO  12          HB1       PRO  12 -14.563  10.611  -1.669
   69   1HG   PRO  12          HG2       PRO  12 -11.585  10.551  -1.667
   70   2HG   PRO  12          HG1       PRO  12 -12.680  11.846  -1.158
   71   1HD   PRO  12          HD2       PRO  12 -11.300  10.047   0.554
   72   2HD   PRO  12          HD1       PRO  12 -12.602  11.160   1.024
   73    H    CYS  13           H        CYS  13 -12.366   7.065   0.426
   74    HA   CYS  13           HA       CYS  13 -12.010   5.467  -2.076
   75   1HB   CYS  13          HB2       CYS  13 -10.033   6.800  -0.467
   76   2HB   CYS  13          HB1       CYS  13  -9.769   5.059  -0.367
   77    H    CYS  14           H        CYS  14 -13.163   5.480   1.076
   78    HA   CYS  14           HA       CYS  14 -13.082   2.500   1.124
   79   1HB   CYS  14          HB2       CYS  14 -12.661   4.292   3.529
   80   2HB   CYS  14          HB1       CYS  14 -12.669   2.528   3.533
   81    H    ASP  15           H        ASP  15 -15.057   1.647   1.363
   82    HA   ASP  15           HA       ASP  15 -17.434   3.179   1.531
   83   1HB   ASP  15          HB2       ASP  15 -16.942   0.609   0.964
   84   2HB   ASP  15          HB1       ASP  15 -17.412   0.411   2.648
   85    H    ALA  16           H        ALA  16 -18.250   4.271   3.256
   86    HA   ALA  16           HA       ALA  16 -17.073   4.065   5.887
   87   1HB   ALA  16          HB1       ALA  16 -19.564   5.434   4.845
   88   2HB   ALA  16          HB2       ALA  16 -18.019   6.177   5.262
   89   3HB   ALA  16          HB3       ALA  16 -19.058   5.529   6.532
   90    H    ALA  17           H        ALA  17 -19.995   2.754   4.378
   91    HA   ALA  17           HA       ALA  17 -21.382   1.823   6.624
   92   1HB   ALA  17          HB1       ALA  17 -21.973   1.586   4.115
   93   2HB   ALA  17          HB2       ALA  17 -22.445   0.267   5.187
   94   3HB   ALA  17          HB3       ALA  17 -21.014   0.107   4.167
   95    H    THR  18           H        THR  18 -18.559   0.397   5.014
   96    HA   THR  18           HA       THR  18 -18.398  -1.589   7.241
   97    HB   THR  18           HB       THR  18 -18.520  -2.643   5.040
   98    HG1  THR  18           HG1      THR  18 -16.721  -3.872   5.255
   99   1HG2  THR  18          1HG2      THR  18 -17.668  -1.598   3.248
  100   2HG2  THR  18          2HG2      THR  18 -16.043  -1.859   3.882
  101   3HG2  THR  18          3HG2      THR  18 -16.923  -0.387   4.295
  102    H    CYS  19           H        CYS  19 -16.954   1.193   5.865
  103    HA   CYS  19           HA       CYS  19 -15.160   2.478   6.705
  104   1HB   CYS  19          HB2       CYS  19 -15.815   1.162   8.895
  105   2HB   CYS  19          HB1       CYS  19 -14.351   0.245   8.541
  106    H    LYS  20           H        LYS  20 -15.056  -0.099   4.828
  107    HA   LYS  20           HA       LYS  20 -12.065  -0.262   4.817
  108   1HB   LYS  20          HB2       LYS  20 -14.097  -2.235   3.743
  109   2HB   LYS  20          HB1       LYS  20 -12.345  -2.405   3.607
  110   1HG   LYS  20          HG2       LYS  20 -12.679  -1.924   6.307
  111   2HG   LYS  20          HG1       LYS  20 -14.094  -2.903   5.919
  112   1HD   LYS  20          HD2       LYS  20 -12.594  -4.607   6.284
  113   2HD   LYS  20          HD1       LYS  20 -12.254  -4.318   4.577
  114   1HE   LYS  20          HE2       LYS  20 -10.655  -2.446   5.829
  115   2HE   LYS  20          HE1       LYS  20 -10.563  -3.826   6.926
  116   1HZ   LYS  20          HZ1       LYS  20 -10.350  -4.406   4.083
  117   2HZ   LYS  20          HZ2       LYS  20  -9.525  -5.092   5.399
  118   3HZ   LYS  20          HZ3       LYS  20  -9.038  -3.589   4.779
  119    H    LEU  21           H        LEU  21 -11.401  -1.008   2.389
  120    HA   LEU  21           HA       LEU  21 -11.767   1.299   0.758
  121   1HB   LEU  21          HB2       LEU  21 -10.656  -1.450   0.306
  122   2HB   LEU  21          HB1       LEU  21 -10.891  -0.376  -1.074
  123    HG   LEU  21           HG       LEU  21  -9.679   1.082   1.101
  124   1HD1  LEU  21          1HD1      LEU  21  -8.931  -1.542   1.260
  125   2HD1  LEU  21          2HD1      LEU  21  -7.903  -0.193   1.739
  126   3HD1  LEU  21          3HD1      LEU  21  -7.722  -0.915   0.141
  127   1HD2  LEU  21          1HD2      LEU  21  -7.950   0.545  -1.160
  128   2HD2  LEU  21          2HD2      LEU  21  -8.734   2.056  -0.700
  129   3HD2  LEU  21          3HD2      LEU  21  -9.589   0.892  -1.712
  130    H    ARG  22           H        ARG  22 -12.690   1.138  -1.559
  131    HA   ARG  22           HA       ARG  22 -15.014  -0.688  -1.731
  132   1HB   ARG  22          HB2       ARG  22 -15.346   1.957  -0.882
  133   2HB   ARG  22          HB1       ARG  22 -15.834   1.957  -2.579
  134   1HG   ARG  22          HG2       ARG  22 -16.787  -0.246  -0.783
  135   2HG   ARG  22          HG1       ARG  22 -17.592   1.323  -0.737
  136   1HD   ARG  22          HD2       ARG  22 -18.007   1.215  -3.148
  137   2HD   ARG  22          HD1       ARG  22 -17.138  -0.317  -3.247
  138    HE   ARG  22           HE       ARG  22 -19.724   0.035  -1.787
  139   1HH1  ARG  22          1HH1      ARG  22 -18.402  -1.425  -4.445
  140   2HH1  ARG  22          2HH1      ARG  22 -18.889  -3.040  -4.047
  141   1HH2  ARG  22          1HH2      ARG  22 -19.914  -2.223  -0.837
  142   2HH2  ARG  22          2HH2      ARG  22 -19.745  -3.492  -2.004
  143    HA   PRO  23           HA       PRO  23 -14.372   1.028  -6.079
  144   1HB   PRO  23          HB2       PRO  23 -12.696   3.165  -6.486
  145   2HB   PRO  23          HB1       PRO  23 -14.426   3.327  -6.136
  146   1HG   PRO  23          HG2       PRO  23 -12.098   3.853  -4.356
  147   2HG   PRO  23          HG1       PRO  23 -13.734   4.526  -4.292
  148   1HD   PRO  23          HD2       PRO  23 -12.703   2.463  -2.651
  149   2HD   PRO  23          HD1       PRO  23 -14.399   2.958  -2.774
  150    H    GLY  24           H        GLY  24 -12.288   1.413  -7.716
  151   1HA   GLY  24          HA2       GLY  24 -10.569  -0.826  -7.266
  152   2HA   GLY  24          HA1       GLY  24 -10.315   0.412  -8.496
  153    H    ALA  25           H        ALA  25  -9.913  -0.188  -5.005
  154    HA   ALA  25           HA       ALA  25  -7.373   1.345  -5.132
  155   1HB   ALA  25          HB1       ALA  25  -8.184   2.232  -2.759
  156   2HB   ALA  25          HB2       ALA  25  -9.778   1.986  -3.471
  157   3HB   ALA  25          HB3       ALA  25  -8.626   3.077  -4.241
  158    H    GLN  26           H        GLN  26  -5.780   0.284  -4.035
  159    HA   GLN  26           HA       GLN  26  -6.489  -2.171  -2.576
  160   1HB   GLN  26          HB2       GLN  26  -4.209  -1.195  -4.017
  161   2HB   GLN  26          HB1       GLN  26  -3.704  -1.604  -2.377
  162   1HG   GLN  26          HG2       GLN  26  -3.544  -3.706  -3.282
  163   2HG   GLN  26          HG1       GLN  26  -5.264  -3.743  -2.896
  164   1HE2  GLN  26          1HE2      GLN  26  -3.533  -2.042  -5.561
  165   2HE2  GLN  26          2HE2      GLN  26  -4.414  -2.785  -6.807
  166    H    CYS  27           H        CYS  27  -5.865   1.106  -1.866
  167    HA   CYS  27           HA       CYS  27  -6.072   0.582   1.009
  168   1HB   CYS  27          HB2       CYS  27  -3.961   2.052   1.377
  169   2HB   CYS  27          HB1       CYS  27  -3.730   0.351   0.970
  170    H    GLY  28           H        GLY  28  -6.772   2.459   2.126
  171   1HA   GLY  28          HA2       GLY  28  -7.459   4.741   0.330
  172   2HA   GLY  28          HA1       GLY  28  -8.395   4.283   1.749
  173    H    GLU  29           H        GLU  29  -5.514   3.821   2.972
  174    HA   GLU  29           HA       GLU  29  -4.455   6.507   3.208
  175   1HB   GLU  29          HB2       GLU  29  -5.141   6.995   5.462
  176   2HB   GLU  29          HB1       GLU  29  -6.594   6.627   4.537
  177   1HG   GLU  29          HG2       GLU  29  -7.091   4.981   5.979
  178   2HG   GLU  29          HG1       GLU  29  -5.591   4.162   5.542
  179    H    GLY  30           H        GLY  30  -2.536   6.549   4.534
  180   1HA   GLY  30          HA2       GLY  30  -1.454   4.751   6.276
  181   2HA   GLY  30          HA1       GLY  30  -1.238   3.920   4.730
  182    H    LEU  31           H        LEU  31   1.115   4.178   4.955
  183    HA   LEU  31           HA       LEU  31   2.013   6.996   4.559
  184   1HB   LEU  31          HB2       LEU  31   4.337   5.847   5.078
  185   2HB   LEU  31          HB1       LEU  31   3.277   6.403   6.370
  186    HG   LEU  31           HG       LEU  31   2.273   4.008   6.264
  187   1HD1  LEU  31          1HD1      LEU  31   4.023   2.341   5.534
  188   2HD1  LEU  31          2HD1      LEU  31   4.941   3.674   4.850
  189   3HD1  LEU  31          3HD1      LEU  31   3.351   3.272   4.208
  190   1HD2  LEU  31          1HD2      LEU  31   5.104   4.098   7.250
  191   2HD2  LEU  31          2HD2      LEU  31   3.673   3.452   8.045
  192   3HD2  LEU  31          3HD2      LEU  31   3.915   5.192   7.946
  193    H    CYS  32           H        CYS  32   1.870   3.824   3.207
  194    HA   CYS  32           HA       CYS  32   3.423   4.835   0.858
  195   1HB   CYS  32          HB2       CYS  32   3.470   2.233   2.287
  196   2HB   CYS  32          HB1       CYS  32   3.596   2.176   0.526
  197    H    CYS  33           H        CYS  33   0.793   5.472   0.821
  198    HA   CYS  33           HA       CYS  33  -0.289   3.521  -1.162
  199   1HB   CYS  33          HB2       CYS  33  -1.546   3.304   0.964
  200   2HB   CYS  33          HB1       CYS  33  -1.929   5.023   0.904
  201    H    GLU  34           H        GLU  34   0.076   4.675  -3.018
  202    HA   GLU  34           HA       GLU  34  -0.648   7.559  -3.061
  203   1HB   GLU  34          HB2       GLU  34   1.573   7.134  -3.909
  204   2HB   GLU  34          HB1       GLU  34   0.982   5.832  -4.944
  205   1HG   GLU  34          HG2       GLU  34   1.383   8.015  -6.151
  206   2HG   GLU  34          HG1       GLU  34  -0.256   7.385  -6.315
  207    H    GLN  35           H        GLN  35  -2.467   8.190  -4.136
  208    HA   GLN  35           HA       GLN  35  -4.419   8.022  -5.414
  209   1HB   GLN  35          HB2       GLN  35  -2.558   7.429  -7.152
  210   2HB   GLN  35          HB1       GLN  35  -3.146   5.777  -6.962
  211   1HG   GLN  35          HG2       GLN  35  -4.467   6.556  -8.727
  212   2HG   GLN  35          HG1       GLN  35  -5.506   6.858  -7.333
  213   1HE2  GLN  35          1HE2      GLN  35  -3.430   8.420  -9.744
  214   2HE2  GLN  35          2HE2      GLN  35  -3.930  10.006  -9.404
  215    H    CYS  36           H        CYS  36  -4.036   6.405  -3.016
  216    HA   CYS  36           HA       CYS  36  -5.181   4.726  -1.861
  217   1HB   CYS  36          HB2       CYS  36  -6.905   4.971  -4.330
  218   2HB   CYS  36          HB1       CYS  36  -7.277   3.843  -3.031
  219    H    LYS  37           H        LYS  37  -3.010   4.163  -3.916
  220    HA   LYS  37           HA       LYS  37  -3.619   1.254  -4.258
  221   1HB   LYS  37          HB2       LYS  37  -1.901   3.007  -6.046
  222   2HB   LYS  37          HB1       LYS  37  -2.205   1.283  -6.272
  223   1HG   LYS  37          HG2       LYS  37  -4.516   1.647  -6.730
  224   2HG   LYS  37          HG1       LYS  37  -4.446   3.309  -6.142
  225   1HD   LYS  37          HD2       LYS  37  -2.799   3.791  -8.007
  226   2HD   LYS  37          HD1       LYS  37  -3.175   2.194  -8.653
  227   1HE   LYS  37          HE2       LYS  37  -5.669   3.017  -8.432
  228   2HE   LYS  37          HE1       LYS  37  -4.932   4.620  -8.460
  229   1HZ   LYS  37          HZ1       LYS  37  -5.594   3.401 -10.662
  230   2HZ   LYS  37          HZ2       LYS  37  -4.078   2.658 -10.461
  231   3HZ   LYS  37          HZ3       LYS  37  -4.191   4.350 -10.581
  232    H    PHE  38           H        PHE  38  -2.015  -0.156  -3.542
  233    HA   PHE  38           HA       PHE  38  -0.170   0.687  -1.584
  234   1HB   PHE  38          HB2       PHE  38  -0.170  -1.755  -3.371
  235   2HB   PHE  38          HB1       PHE  38   0.990  -1.525  -2.066
  236    HD1  PHE  38           HD1      PHE  38  -0.776  -0.144  -0.058
  237    HD2  PHE  38           HD2      PHE  38  -1.469  -3.568  -2.560
  238    HE1  PHE  38           HE1      PHE  38  -2.432  -1.002   1.573
  239    HE2  PHE  38           HE2      PHE  38  -3.125  -4.425  -0.926
  240    HZ   PHE  38           HZ       PHE  38  -3.606  -3.142   1.141
  241    H    SER  39           H        SER  39   1.693   1.831  -1.774
  242    HA   SER  39           HA       SER  39   2.774   2.610  -4.314
  243   1HB   SER  39          HB2       SER  39   4.261   2.593  -1.676
  244   2HB   SER  39          HB1       SER  39   4.546   3.646  -3.059
  245    HG   SER  39           HG       SER  39   2.175   4.191  -2.642
  246    H    ARG  40           H        ARG  40   5.644   2.041  -3.380
  247    HA   ARG  40           HA       ARG  40   5.698  -0.791  -4.339
  248   1HB   ARG  40          HB2       ARG  40   7.561   1.538  -4.800
  249   2HB   ARG  40          HB1       ARG  40   8.119  -0.123  -5.004
  250   1HG   ARG  40          HG2       ARG  40   6.293  -0.544  -6.612
  251   2HG   ARG  40          HG1       ARG  40   5.737   1.119  -6.414
  252   1HD   ARG  40          HD2       ARG  40   8.571   0.510  -7.246
  253   2HD   ARG  40          HD1       ARG  40   7.270   0.606  -8.433
  254    HE   ARG  40           HE       ARG  40   7.056   2.958  -7.954
  255   1HH1  ARG  40          1HH2      ARG  40  10.127   2.035  -7.617
  256   2HH1  ARG  40          2HH2      ARG  40  10.585   3.160  -6.383
  257   1HH2  ARG  40          1HH1      ARG  40   7.328   4.119  -5.677
  258   2HH2  ARG  40          2HH1      ARG  40   9.000   4.341  -5.285
  259    H    ALA  41           H        ALA  41   7.305  -2.189  -3.361
  260    HA   ALA  41           HA       ALA  41   7.602  -1.739  -0.510
  261   1HB   ALA  41          HB1       ALA  41   7.417  -3.980  -1.878
  262   2HB   ALA  41          HB2       ALA  41   8.406  -3.925  -0.419
  263   3HB   ALA  41          HB3       ALA  41   9.167  -3.819  -2.006
  264    H    GLY  42           H        GLY  42   9.844  -2.023   0.525
  265   1HA   GLY  42          HA2       GLY  42  12.043  -1.211   0.789
  266   2HA   GLY  42          HA1       GLY  42  12.156  -1.134  -0.973
  267    H    LYS  43           H        LYS  43   9.416   0.367   0.463
  268    HA   LYS  43           HA       LYS  43  10.442   3.010  -0.392
  269   1HB   LYS  43          HB2       LYS  43   8.201   2.481  -1.106
  270   2HB   LYS  43          HB1       LYS  43   7.721   2.061   0.539
  271   1HG   LYS  43          HG2       LYS  43   7.006   4.374  -0.248
  272   2HG   LYS  43          HG1       LYS  43   7.904   4.331   1.271
  273   1HD   LYS  43          HD2       LYS  43   9.745   5.353   0.366
  274   2HD   LYS  43          HD1       LYS  43   9.526   4.582  -1.205
  275   1HE   LYS  43          HE2       LYS  43   7.286   6.205  -0.972
  276   2HE   LYS  43          HE1       LYS  43   8.573   7.184  -0.270
  277   1HZ   LYS  43          HZ1       LYS  43   9.793   7.131  -2.218
  278   2HZ   LYS  43          HZ2       LYS  43   8.200   7.276  -2.789
  279   3HZ   LYS  43          HZ3       LYS  43   8.983   5.769  -2.824
  280    H    ILE  44           H        ILE  44  11.580   4.142   1.084
  281    HA   ILE  44           HA       ILE  44  11.793   3.623   3.814
  282    HB   ILE  44           HB       ILE  44  13.064   5.304   2.210
  283   1HG1  ILE  44          2HG1      ILE  44  13.981   4.761   4.331
  284   2HG1  ILE  44          1HG1      ILE  44  13.852   6.520   4.328
  285   1HG2  ILE  44          1HG2      ILE  44  11.266   7.204   3.736
  286   2HG2  ILE  44          2HG2      ILE  44  11.037   6.805   2.032
  287   3HG2  ILE  44          3HG2      ILE  44  12.511   7.618   2.558
  288   1HD1  ILE  44          1HD1      ILE  44  11.792   4.645   5.524
  289   2HD1  ILE  44          2HD1      ILE  44  11.764   6.407   5.591
  290   3HD1  ILE  44          3HD1      ILE  44  13.018   5.512   6.448
  291    H    CYS  45           H        CYS  45  10.176   3.510   5.255
  292    HA   CYS  45           HA       CYS  45   7.937   5.503   5.079
  293   1HB   CYS  45          HB2       CYS  45   6.807   3.824   6.656
  294   2HB   CYS  45          HB1       CYS  45   6.990   3.353   4.972
  295    H    ARG  46           H        ARG  46  10.587   4.377   7.012
  296    HA   ARG  46           HA       ARG  46  10.146   6.570   8.909
  297   1HB   ARG  46          HB2       ARG  46   9.256   3.897   9.532
  298   2HB   ARG  46          HB1       ARG  46  10.575   4.351  10.612
  299   1HG   ARG  46          HG2       ARG  46   9.357   6.001  11.622
  300   2HG   ARG  46          HG1       ARG  46   8.535   6.447  10.127
  301   1HD   ARG  46          HD2       ARG  46   6.864   4.880  10.415
  302   2HD   ARG  46          HD1       ARG  46   7.909   3.778  11.310
  303    HE   ARG  46           HE       ARG  46   7.386   4.960  13.311
  304   1HH1  ARG  46          1HH2      ARG  46   4.660   5.198  12.102
  305   2HH1  ARG  46          2HH2      ARG  46   4.344   6.895  12.243
  306   1HH2  ARG  46          1HH1      ARG  46   7.663   7.735  12.797
  307   2HH2  ARG  46          2HH1      ARG  46   6.044   8.332  12.637
  308    H    ILE  47           H        ILE  47  12.103   7.362   9.448
  309    HA   ILE  47           HA       ILE  47  14.488   5.697   8.855
  310    HB   ILE  47           HB       ILE  47  14.227   7.994   7.841
  311   1HG1  ILE  47          2HG1      ILE  47  16.440   6.844   8.192
  312   2HG1  ILE  47          1HG1      ILE  47  16.544   8.604   8.181
  313   1HG2  ILE  47          1HG2      ILE  47  14.941   9.077  10.557
  314   2HG2  ILE  47          2HG2      ILE  47  13.252   8.872  10.093
  315   3HG2  ILE  47          3HG2      ILE  47  14.302   9.933   9.154
  316   1HD1  ILE  47          1HD1      ILE  47  17.051   6.707  10.378
  317   2HD1  ILE  47          2HD1      ILE  47  16.079   8.103  10.837
  318   3HD1  ILE  47          3HD1      ILE  47  17.678   8.335  10.131
  319    HA   PRO  48           HA       PRO  48  14.613   5.334  13.350
  320   1HB   PRO  48          HB2       PRO  48  16.306   3.169  13.330
  321   2HB   PRO  48          HB1       PRO  48  14.551   3.044  13.112
  322   1HG   PRO  48          HG2       PRO  48  16.717   2.797  11.076
  323   2HG   PRO  48          HG1       PRO  48  15.095   2.086  11.079
  324   1HD   PRO  48          HD2       PRO  48  15.902   4.358   9.599
  325   2HD   PRO  48          HD1       PRO  48  14.226   3.841   9.887
  326    H    ARG  49           H        ARG  49  16.034   6.478  14.621
  327    HA   ARG  49           HA       ARG  49  18.548   7.437  13.490
  328   1HB   ARG  49          HB2       ARG  49  16.977   7.907  15.983
  329   2HB   ARG  49          HB1       ARG  49  18.706   8.255  16.036
  330   1HG   ARG  49          HG2       ARG  49  18.181  10.249  15.108
  331   2HG   ARG  49          HG1       ARG  49  17.920   9.349  13.614
  332   1HD   ARG  49          HD2       ARG  49  15.549   9.010  14.243
  333   2HD   ARG  49          HD1       ARG  49  15.816   9.947  15.714
  334    HE   ARG  49           HE       ARG  49  16.150  11.931  14.311
  335   1HH1  ARG  49          1HH1      ARG  49  13.866   9.775  13.323
  336   2HH1  ARG  49          2HH1      ARG  49  13.820  10.268  11.663
  337   1HH2  ARG  49          1HH2      ARG  49  16.648  12.262  11.901
  338   2HH2  ARG  49          2HH2      ARG  49  15.398  11.675  10.857
  339    H    GLY  50           H        GLY  50  20.646   6.876  14.197
  340   1HA   GLY  50          HA2       GLY  50  22.119   5.699  15.790
  341   2HA   GLY  50          HA1       GLY  50  20.814   4.543  16.057
  342    H    ASP  51           H        ASP  51  21.656   2.630  15.287
  343    HA   ASP  51           HA       ASP  51  22.722   2.666  12.489
  344   1HB   ASP  51          HB2       ASP  51  24.249   2.009  14.564
  345   2HB   ASP  51          HB1       ASP  51  23.425   0.460  14.386
  346    H    MET  52           H        MET  52  20.048   2.469  12.668
  347    HA   MET  52           HA       MET  52  19.446  -0.455  12.549
  348   1HB   MET  52          HB2       MET  52  17.938   1.910  13.469
  349   2HB   MET  52          HB1       MET  52  17.007   0.794  12.467
  350   1HG   MET  52          HG2       MET  52  16.757  -0.513  14.284
  351   2HG   MET  52          HG1       MET  52  18.490  -0.836  14.216
  352   1HE   MET  52          HE1       MET  52  16.706  -1.011  16.652
  353   2HE   MET  52          HE2       MET  52  17.486  -0.134  17.965
  354   3HE   MET  52          HE3       MET  52  18.435  -1.216  16.951
  355    HA   PRO  53           HA       PRO  53  18.621  -0.126   8.255
  356   1HB   PRO  53          HB2       PRO  53  16.535  -1.899   7.994
  357   2HB   PRO  53          HB1       PRO  53  18.214  -2.396   8.266
  358   1HG   PRO  53          HG2       PRO  53  15.928  -2.382  10.182
  359   2HG   PRO  53          HG1       PRO  53  17.377  -3.399  10.173
  360   1HD   PRO  53          HD2       PRO  53  16.943  -1.149  11.833
  361   2HD   PRO  53          HD1       PRO  53  18.497  -1.969  11.572
  362    H    ASP  54           H        ASP  54  17.616   1.557   7.216
  363    HA   ASP  54           HA       ASP  54  15.528   3.122   8.191
  364   1HB   ASP  54          HB2       ASP  54  15.972   2.510   5.255
  365   2HB   ASP  54          HB1       ASP  54  15.234   3.961   5.934
  366    H    ASP  55           H        ASP  55  13.330   2.902   8.318
  367    HA   ASP  55           HA       ASP  55  12.114   0.333   7.882
  368   1HB   ASP  55          HB2       ASP  55  11.434   2.540   9.332
  369   2HB   ASP  55          HB1       ASP  55  10.333   2.697   7.965
  370    H    ARG  56           H        ARG  56  11.208  -0.480   6.038
  371    HA   ARG  56           HA       ARG  56  10.593   1.438   3.830
  372   1HB   ARG  56          HB2       ARG  56  11.864  -1.287   3.518
  373   2HB   ARG  56          HB1       ARG  56  11.481  -0.154   2.220
  374   1HG   ARG  56          HG2       ARG  56  12.969   1.403   3.941
  375   2HG   ARG  56          HG1       ARG  56  13.758  -0.169   4.076
  376   1HD   ARG  56          HD2       ARG  56  13.578  -0.170   1.453
  377   2HD   ARG  56          HD1       ARG  56  13.420   1.575   1.655
  378    HE   ARG  56           HE       ARG  56  15.835  -0.020   2.221
  379   1HH1  ARG  56          1HH1      ARG  56  14.061   2.855   2.882
  380   2HH1  ARG  56          2HH1      ARG  56  15.470   3.851   3.034
  381   1HH2  ARG  56          1HH2      ARG  56  17.686   1.299   2.258
  382   2HH2  ARG  56          2HH2      ARG  56  17.522   2.970   2.687
  383    H    CYS  57           H        CYS  57   8.688   1.093   2.788
  384    HA   CYS  57           HA       CYS  57   6.704  -0.592   3.980
  385   1HB   CYS  57          HB2       CYS  57   6.695   0.577   1.183
  386   2HB   CYS  57          HB1       CYS  57   5.290   0.095   2.132
  387    H    THR  58           H        THR  58   5.885  -2.586   3.303
  388    HA   THR  58           HA       THR  58   7.736  -4.370   2.001
  389    HB   THR  58           HB       THR  58   5.615  -5.908   2.068
  390    HG1  THR  58           HG1      THR  58   4.392  -4.875   3.992
  391   1HG2  THR  58          1HG2      THR  58   7.083  -4.783   4.455
  392   2HG2  THR  58          2HG2      THR  58   7.398  -6.290   3.599
  393   3HG2  THR  58          3HG2      THR  58   5.952  -6.129   4.597
  394    H    GLY  59           H        GLY  59   5.484  -2.171   0.758
  395   1HA   GLY  59          HA1       GLY  59   5.527  -1.860  -1.694
  396   2HA   GLY  59          HA2       GLY  59   5.578  -3.611  -1.858
  397    H    GLN  60           H        GLN  60   3.584  -4.577  -0.401
  398    HA   GLN  60           HA       GLN  60   1.188  -3.348  -1.649
  399   1HB   GLN  60          HB2       GLN  60   1.301  -5.972  -0.154
  400   2HB   GLN  60          HB1       GLN  60   0.119  -5.453  -1.355
  401   1HG   GLN  60          HG2       GLN  60   1.877  -5.461  -3.091
  402   2HG   GLN  60          HG1       GLN  60   3.054  -5.993  -1.890
  403   1HE2  GLN  60          1HE2      GLN  60   2.897  -7.775  -3.874
  404   2HE2  GLN  60          2HE2      GLN  60   1.925  -9.110  -3.487
  405    H    SER  61           H        SER  61   2.781  -3.280   1.325
  406    HA   SER  61           HA       SER  61   0.306  -3.170   2.935
  407   1HB   SER  61          HB2       SER  61   2.172  -4.171   4.045
  408   2HB   SER  61          HB1       SER  61   3.238  -2.843   3.599
  409    HG   SER  61           HG       SER  61   2.649  -2.334   5.615
  410    H    ALA  62           H        ALA  62  -0.874  -1.307   2.613
  411    HA   ALA  62           HA       ALA  62   0.082   1.204   1.761
  412   1HB   ALA  62          HB1       ALA  62  -2.349   0.191   3.008
  413   2HB   ALA  62          HB2       ALA  62  -2.154   1.531   1.879
  414   3HB   ALA  62          HB3       ALA  62  -1.947   1.799   3.609
  415    H    ASP  63           H        ASP  63  -0.375   0.012   5.091
  416    HA   ASP  63           HA       ASP  63   0.962   2.360   6.214
  417   1HB   ASP  63          HB2       ASP  63   0.523  -0.200   7.730
  418   2HB   ASP  63          HB1       ASP  63   0.440   1.464   8.311
  419    H    CYS  64           H        CYS  64   2.916   1.866   7.734
  420    HA   CYS  64           HA       CYS  64   4.801   0.229   6.130
  421   1HB   CYS  64          HB2       CYS  64   5.614   2.437   6.433
  422   2HB   CYS  64          HB1       CYS  64   5.231   2.430   8.143
  423    HA   PRO  65           HA       PRO  65   4.498  -2.776   9.366
  424   1HB   PRO  65          HB2       PRO  65   5.885  -4.665   7.954
  425   2HB   PRO  65          HB1       PRO  65   4.167  -4.346   7.712
  426   1HG   PRO  65          HG2       PRO  65   6.487  -3.652   5.988
  427   2HG   PRO  65          HG1       PRO  65   4.785  -3.857   5.546
  428   1HD   PRO  65          HD2       PRO  65   6.141  -1.394   5.907
  429   2HD   PRO  65          HD1       PRO  65   4.389  -1.615   5.732
  430    H    ARG  66           H        ARG  66   6.649  -4.622   9.654
  431    HA   ARG  66           HA       ARG  66   8.862  -2.775  10.450
  432   1HB   ARG  66          HB2       ARG  66   7.886  -5.352  11.705
  433   2HB   ARG  66          HB1       ARG  66   9.394  -4.560  12.163
  434   1HG   ARG  66          HG2       ARG  66   8.289  -3.086  13.455
  435   2HG   ARG  66          HG1       ARG  66   7.246  -2.629  12.107
  436   1HD   ARG  66          HD2       ARG  66   5.531  -3.821  12.945
  437   2HD   ARG  66          HD1       ARG  66   6.538  -5.261  13.094
  438    HE   ARG  66           HE       ARG  66   7.333  -4.221  15.298
  439   1HH1  ARG  66          1HH2      ARG  66   4.173  -4.704  14.368
  440   2HH1  ARG  66          2HH2      ARG  66   3.460  -3.715  15.598
  441   1HH2  ARG  66          1HH1      ARG  66   6.484  -2.393  16.662
  442   2HH2  ARG  66          2HH1      ARG  66   4.766  -2.406  16.895
  443    H    TYR  67           H        TYR  67  11.046  -3.899  10.504
  444    HA   TYR  67           HA       TYR  67  11.335  -5.498   8.021
  445   1HB   TYR  67          HB2       TYR  67  12.822  -3.408   9.154
  446   2HB   TYR  67          HB1       TYR  67  13.817  -4.847   9.386
  447    HD1  TYR  67           HD1      TYR  67  12.732  -6.399   6.972
  448    HD2  TYR  67           HD2      TYR  67  14.141  -2.366   7.424
  449    HE1  TYR  67           HE1      TYR  67  13.365  -6.351   4.574
  450    HE2  TYR  67           HE2      TYR  67  14.773  -2.318   5.026
  451    HH   TYR  67           HH       TYR  67  15.419  -4.293   3.256
  452    H    HIS  68           H        HIS  68  10.203  -7.113   9.825
  453    HA   HIS  68           HA       HIS  68  12.385  -8.565  11.234
  454   1HB   HIS  68          HB2       HIS  68   9.373  -8.628  11.438
  455   2HB   HIS  68          HB1       HIS  68  10.372  -9.891  12.157
  456    HD1  HIS  68           HD1      HIS  68  12.425  -8.826  13.737
  457    HD2  HIS  68           HD2      HIS  68   9.020  -6.494  13.147
  458    HE1  HIS  68           HE1      HIS  68  12.423  -7.084  15.574
  Start of MODEL    7
    1   1H    GLY   1          HT1       GLY   1 -16.975  -6.558  15.728
    2   2H    GLY   1          HT2       GLY   1 -15.918  -7.236  14.584
    3   3H    GLY   1          HT3       GLY   1 -17.544  -7.725  14.635
    4   1HA   GLY   1          HA1       GLY   1 -18.128  -6.133  13.233
    5   2HA   GLY   1          HA2       GLY   1 -17.449  -4.929  14.329
    6    H    LYS   2           H        LYS   2 -17.150  -6.250  11.273
    7    HA   LYS   2           HA       LYS   2 -14.415  -5.088  11.013
    8   1HB   LYS   2          HB2       LYS   2 -14.451  -7.662  11.107
    9   2HB   LYS   2          HB1       LYS   2 -15.250  -7.588   9.536
   10   1HG   LYS   2          HG2       LYS   2 -13.382  -6.437   8.550
   11   2HG   LYS   2          HG1       LYS   2 -12.623  -6.203  10.125
   12   1HD   LYS   2          HD2       LYS   2 -11.486  -8.110   9.685
   13   2HD   LYS   2          HD1       LYS   2 -13.003  -8.944  10.027
   14   1HE   LYS   2          HE2       LYS   2 -13.005  -9.683   7.900
   15   2HE   LYS   2          HE1       LYS   2 -13.222  -8.014   7.373
   16   1HZ   LYS   2          HZ1       LYS   2 -11.232  -8.189   6.440
   17   2HZ   LYS   2          HZ2       LYS   2 -10.917  -9.677   7.199
   18   3HZ   LYS   2          HZ3       LYS   2 -10.564  -8.221   7.999
   19    H    GLU   3           H        GLU   3 -16.200  -3.386  10.317
   20    HA   GLU   3           HA       GLU   3 -16.636  -3.744   7.377
   21   1HB   GLU   3          HB2       GLU   3 -18.632  -2.246   7.668
   22   2HB   GLU   3          HB1       GLU   3 -18.793  -3.801   8.485
   23   1HG   GLU   3          HG2       GLU   3 -18.780  -2.855  10.553
   24   2HG   GLU   3          HG1       GLU   3 -17.530  -1.690  10.117
   25    H    CYS   4           H        CYS   4 -14.344  -2.515   8.807
   26    HA   CYS   4           HA       CYS   4 -14.521   0.144   7.493
   27   1HB   CYS   4          HB2       CYS   4 -14.095  -0.387  10.390
   28   2HB   CYS   4          HB1       CYS   4 -13.050   0.827   9.657
   29    H    ASP   5           H        ASP   5 -12.938  -0.099   5.960
   30    HA   ASP   5           HA       ASP   5 -10.474  -1.587   6.643
   31   1HB   ASP   5          HB2       ASP   5 -11.936  -0.995   4.221
   32   2HB   ASP   5          HB1       ASP   5 -10.260  -0.476   4.052
   33    H    CYS   6           H        CYS   6 -11.594   1.582   6.810
   34    HA   CYS   6           HA       CYS   6  -8.784   2.580   6.915
   35   1HB   CYS   6          HB2       CYS   6  -9.375   4.604   5.771
   36   2HB   CYS   6          HB1       CYS   6 -10.012   3.284   4.793
   37    H    SER   7           H        SER   7  -8.854   4.862   8.078
   38    HA   SER   7           HA       SER   7 -10.692   4.563  10.419
   39   1HB   SER   7          HB2       SER   7  -8.996   5.569  11.781
   40   2HB   SER   7          HB1       SER   7  -8.181   4.355  10.800
   41    HG   SER   7           HG       SER   7  -7.778   7.004  10.904
   42    H    SER   8           H        SER   8 -10.300   6.346   7.663
   43    HA   SER   8           HA       SER   8 -11.426   8.794   8.963
   44   1HB   SER   8          HB2       SER   8  -9.476   9.602   7.987
   45   2HB   SER   8          HB1       SER   8  -9.522   8.426   6.678
   46    HG   SER   8           HG       SER   8 -10.118  10.432   5.878
   47    HA   PRO   9           HA       PRO   9 -15.012   7.832   6.544
   48   1HB   PRO   9          HB2       PRO   9 -16.371  10.163   7.066
   49   2HB   PRO   9          HB1       PRO   9 -16.234   8.830   8.227
   50   1HG   PRO   9          HG2       PRO   9 -14.843  11.468   8.227
   51   2HG   PRO   9          HG1       PRO   9 -15.234  10.404   9.590
   52   1HD   PRO   9          HD2       PRO   9 -12.695  10.660   8.359
   53   2HD   PRO   9          HD1       PRO   9 -13.182   9.387   9.497
   54    H    GLU  10           H        GLU  10 -13.668  11.140   6.272
   55    HA   GLU  10           HA       GLU  10 -14.792  11.652   3.673
   56   1HB   GLU  10          HB2       GLU  10 -12.850  13.397   3.616
   57   2HB   GLU  10          HB1       GLU  10 -14.126  13.595   4.816
   58   1HG   GLU  10          HG2       GLU  10 -11.937  11.855   5.720
   59   2HG   GLU  10          HG1       GLU  10 -11.427  13.510   5.380
   60    H    ASN  11           H        ASN  11 -12.031   9.873   4.760
   61    HA   ASN  11           HA       ASN  11 -10.228   9.953   2.668
   62   1HB   ASN  11          HB2       ASN  11 -10.080   8.486   4.699
   63   2HB   ASN  11          HB1       ASN  11 -11.237   7.395   3.939
   64   1HD2  ASN  11          1HD2      ASN  11  -8.183   7.200   4.581
   65   2HD2  ASN  11          2HD2      ASN  11  -7.517   6.644   3.123
   66    HA   PRO  12           HA       PRO  12 -12.871   8.791  -0.744
   67   1HB   PRO  12          HB2       PRO  12 -10.950   9.137  -2.677
   68   2HB   PRO  12          HB1       PRO  12 -11.856  10.473  -1.946
   69   1HG   PRO  12          HG2       PRO  12  -9.028   9.651  -1.487
   70   2HG   PRO  12          HG1       PRO  12  -9.777  11.246  -1.303
   71   1HD   PRO  12          HD2       PRO  12  -9.151   9.451   0.797
   72   2HD   PRO  12          HD1       PRO  12 -10.176  10.897   0.925
   73    H    CYS  13           H        CYS  13  -9.958   7.232   0.281
   74    HA   CYS  13           HA       CYS  13  -9.934   5.174  -1.774
   75   1HB   CYS  13          HB2       CYS  13  -8.645   5.234   0.971
   76   2HB   CYS  13          HB1       CYS  13  -8.297   4.055  -0.294
   77    H    CYS  14           H        CYS  14 -11.392   5.522   1.422
   78    HA   CYS  14           HA       CYS  14 -12.579   2.796   1.078
   79   1HB   CYS  14          HB2       CYS  14 -12.884   2.765   3.510
   80   2HB   CYS  14          HB1       CYS  14 -11.192   3.073   3.120
   81    H    ASP  15           H        ASP  15 -14.711   2.736   0.669
   82    HA   ASP  15           HA       ASP  15 -16.310   5.047   0.302
   83   1HB   ASP  15          HB2       ASP  15 -16.624   2.488  -0.387
   84   2HB   ASP  15          HB1       ASP  15 -17.614   2.475   1.067
   85    H    ALA  16           H        ALA  16 -17.706   6.151   1.665
   86    HA   ALA  16           HA       ALA  16 -17.312   5.806   4.533
   87   1HB   ALA  16          HB1       ALA  16 -17.658   8.036   3.404
   88   2HB   ALA  16          HB2       ALA  16 -18.740   7.747   4.767
   89   3HB   ALA  16          HB3       ALA  16 -19.333   7.566   3.116
   90    H    ALA  17           H        ALA  17 -19.908   5.157   2.203
   91    HA   ALA  17           HA       ALA  17 -21.986   4.490   3.982
   92   1HB   ALA  17          HB1       ALA  17 -21.237   3.649   1.218
   93   2HB   ALA  17          HB2       ALA  17 -22.725   4.394   1.799
   94   3HB   ALA  17          HB3       ALA  17 -22.440   2.674   2.062
   95    H    THR  18           H        THR  18 -19.507   2.297   2.612
   96    HA   THR  18           HA       THR  18 -20.205   0.319   4.720
   97    HB   THR  18           HB       THR  18 -20.105  -0.677   2.545
   98    HG1  THR  18           HG1      THR  18 -18.928  -2.231   3.282
   99   1HG2  THR  18          1HG2      THR  18 -17.687   1.062   2.269
  100   2HG2  THR  18          2HG2      THR  18 -19.000   0.782   1.126
  101   3HG2  THR  18          3HG2      THR  18 -17.749  -0.441   1.350
  102    H    CYS  19           H        CYS  19 -18.022   2.823   4.170
  103    HA   CYS  19           HA       CYS  19 -16.083   3.480   5.320
  104   1HB   CYS  19          HB2       CYS  19 -17.420   2.887   7.311
  105   2HB   CYS  19          HB1       CYS  19 -16.909   1.209   7.158
  106    H    LYS  20           H        LYS  20 -16.050   1.306   3.221
  107    HA   LYS  20           HA       LYS  20 -13.355   0.257   3.936
  108   1HB   LYS  20          HB2       LYS  20 -15.635  -1.381   2.798
  109   2HB   LYS  20          HB1       LYS  20 -13.976  -1.954   2.973
  110   1HG   LYS  20          HG2       LYS  20 -14.908  -0.788   5.454
  111   2HG   LYS  20          HG1       LYS  20 -16.022  -2.044   4.913
  112   1HD   LYS  20          HD2       LYS  20 -13.018  -2.370   5.183
  113   2HD   LYS  20          HD1       LYS  20 -14.217  -2.984   6.322
  114   1HE   LYS  20          HE2       LYS  20 -14.668  -4.771   5.020
  115   2HE   LYS  20          HE1       LYS  20 -14.829  -3.765   3.580
  116   1HZ   LYS  20          HZ1       LYS  20 -12.932  -5.461   3.678
  117   2HZ   LYS  20          HZ2       LYS  20 -12.173  -4.354   4.721
  118   3HZ   LYS  20          HZ3       LYS  20 -12.575  -3.894   3.136
  119    H    LEU  21           H        LEU  21 -12.224  -0.614   1.934
  120    HA   LEU  21           HA       LEU  21 -11.843   1.254  -0.039
  121   1HB   LEU  21          HB2       LEU  21 -11.653  -1.746  -0.103
  122   2HB   LEU  21          HB1       LEU  21 -11.340  -0.817  -1.570
  123    HG   LEU  21           HG       LEU  21  -9.919   0.566   0.369
  124   1HD1  LEU  21          1HD1      LEU  21 -10.373  -2.107   1.315
  125   2HD1  LEU  21          2HD1      LEU  21  -9.428  -0.821   2.066
  126   3HD1  LEU  21          3HD1      LEU  21  -8.665  -1.922   0.919
  127   1HD2  LEU  21          1HD2      LEU  21  -8.542  -1.627  -1.111
  128   2HD2  LEU  21          2HD2      LEU  21  -8.126   0.083  -0.996
  129   3HD2  LEU  21          3HD2      LEU  21  -9.425  -0.439  -2.068
  130    H    ARG  22           H        ARG  22 -12.938   1.999  -1.818
  131    HA   ARG  22           HA       ARG  22 -15.580   0.760  -2.358
  132   1HB   ARG  22          HB2       ARG  22 -16.076   2.975  -2.071
  133   2HB   ARG  22          HB1       ARG  22 -14.489   3.519  -2.592
  134   1HG   ARG  22          HG2       ARG  22 -15.066   3.359  -4.884
  135   2HG   ARG  22          HG1       ARG  22 -16.444   2.309  -4.550
  136   1HD   ARG  22          HD2       ARG  22 -16.554   4.939  -3.212
  137   2HD   ARG  22          HD1       ARG  22 -16.637   5.007  -4.972
  138    HE   ARG  22           HE       ARG  22 -18.439   3.069  -3.660
  139   1HH1  ARG  22          1HH2      ARG  22 -18.015   6.351  -4.544
  140   2HH1  ARG  22          2HH2      ARG  22 -19.640   6.558  -5.113
  141   1HH2  ARG  22          1HH1      ARG  22 -20.510   3.236  -4.633
  142   2HH2  ARG  22          2HH1      ARG  22 -21.051   4.794  -5.164
  143    HA   PRO  23           HA       PRO  23 -13.818   0.903  -6.760
  144   1HB   PRO  23          HB2       PRO  23 -11.348   2.028  -7.192
  145   2HB   PRO  23          HB1       PRO  23 -12.865   2.943  -7.249
  146   1HG   PRO  23          HG2       PRO  23 -10.766   2.918  -5.131
  147   2HG   PRO  23          HG1       PRO  23 -11.911   4.198  -5.562
  148   1HD   PRO  23          HD2       PRO  23 -12.149   2.441  -3.364
  149   2HD   PRO  23          HD1       PRO  23 -13.427   3.488  -4.011
  150    H    GLY  24           H        GLY  24 -11.264   0.267  -7.811
  151   1HA   GLY  24          HA2       GLY  24 -10.801  -2.319  -6.491
  152   2HA   GLY  24          HA1       GLY  24 -10.091  -1.792  -8.018
  153    H    ALA  25           H        ALA  25 -10.042  -0.175  -4.839
  154    HA   ALA  25           HA       ALA  25  -7.162   0.272  -5.106
  155   1HB   ALA  25          HB1       ALA  25  -7.733   1.046  -2.563
  156   2HB   ALA  25          HB2       ALA  25  -9.333   1.163  -3.294
  157   3HB   ALA  25          HB3       ALA  25  -7.986   2.078  -3.971
  158    H    GLN  26           H        GLN  26  -5.613  -0.464  -3.450
  159    HA   GLN  26           HA       GLN  26  -6.256  -3.222  -2.580
  160   1HB   GLN  26          HB2       GLN  26  -3.834  -1.739  -3.300
  161   2HB   GLN  26          HB1       GLN  26  -3.634  -2.705  -1.838
  162   1HG   GLN  26          HG2       GLN  26  -3.081  -4.167  -3.637
  163   2HG   GLN  26          HG1       GLN  26  -4.709  -4.623  -3.136
  164   1HE2  GLN  26          1HE2      GLN  26  -3.238  -2.204  -5.393
  165   2HE2  GLN  26          2HE2      GLN  26  -4.347  -2.493  -6.646
  166    H    CYS  27           H        CYS  27  -5.825  -0.044  -1.289
  167    HA   CYS  27           HA       CYS  27  -6.510  -1.057   1.395
  168   1HB   CYS  27          HB2       CYS  27  -4.598   0.460   2.317
  169   2HB   CYS  27          HB1       CYS  27  -4.182  -1.142   1.715
  170    H    GLY  28           H        GLY  28  -7.176   0.725   2.834
  171   1HA   GLY  28          HA2       GLY  28  -8.220   3.019   1.254
  172   2HA   GLY  28          HA1       GLY  28  -8.858   2.485   2.805
  173    H    GLU  29           H        GLU  29  -5.738   2.249   3.425
  174    HA   GLU  29           HA       GLU  29  -4.909   5.021   3.553
  175   1HB   GLU  29          HB2       GLU  29  -5.065   5.265   6.000
  176   2HB   GLU  29          HB1       GLU  29  -6.657   5.063   5.281
  177   1HG   GLU  29          HG2       GLU  29  -6.809   3.529   7.007
  178   2HG   GLU  29          HG1       GLU  29  -6.159   2.494   5.735
  179    H    GLY  30           H        GLY  30  -3.206   4.898   5.750
  180   1HA   GLY  30          HA2       GLY  30  -1.525   3.294   6.694
  181   2HA   GLY  30          HA1       GLY  30  -1.466   2.548   5.096
  182    H    LEU  31           H        LEU  31   0.912   3.395   6.117
  183    HA   LEU  31           HA       LEU  31   1.434   6.102   5.031
  184   1HB   LEU  31          HB2       LEU  31   3.868   5.372   5.809
  185   2HB   LEU  31          HB1       LEU  31   2.690   5.966   6.972
  186    HG   LEU  31           HG       LEU  31   2.046   3.635   7.482
  187   1HD1  LEU  31          1HD1      LEU  31   2.477   2.165   5.806
  188   2HD1  LEU  31          2HD1      LEU  31   4.100   2.100   6.465
  189   3HD1  LEU  31          3HD1      LEU  31   3.745   3.185   5.143
  190   1HD2  LEU  31          1HD2      LEU  31   3.967   4.872   8.646
  191   2HD2  LEU  31          2HD2      LEU  31   5.048   3.893   7.660
  192   3HD2  LEU  31          3HD2      LEU  31   3.952   3.118   8.803
  193    H    CYS  32           H        CYS  32   1.715   2.781   4.225
  194    HA   CYS  32           HA       CYS  32   3.572   3.362   1.972
  195   1HB   CYS  32          HB2       CYS  32   2.541   0.761   3.144
  196   2HB   CYS  32          HB1       CYS  32   3.593   0.859   1.732
  197    H    CYS  33           H        CYS  33   0.570   4.010   2.267
  198    HA   CYS  33           HA       CYS  33  -0.277   2.651  -0.258
  199   1HB   CYS  33          HB2       CYS  33  -1.756   3.216   2.285
  200   2HB   CYS  33          HB1       CYS  33  -2.651   3.230   0.767
  201    H    GLU  34           H        GLU  34  -0.576   4.042  -1.907
  202    HA   GLU  34           HA       GLU  34  -1.348   6.856  -1.270
  203   1HB   GLU  34          HB2       GLU  34   0.784   5.882  -3.192
  204   2HB   GLU  34          HB1       GLU  34   0.121   7.516  -3.240
  205   1HG   GLU  34          HG2       GLU  34   0.733   7.688  -0.762
  206   2HG   GLU  34          HG1       GLU  34   1.666   6.209  -0.994
  207    H    GLN  35           H        GLN  35  -2.907   7.710  -2.655
  208    HA   GLN  35           HA       GLN  35  -4.557   7.722  -4.325
  209   1HB   GLN  35          HB2       GLN  35  -2.240   6.416  -5.531
  210   2HB   GLN  35          HB1       GLN  35  -3.759   5.813  -6.196
  211   1HG   GLN  35          HG2       GLN  35  -3.613   8.748  -5.838
  212   2HG   GLN  35          HG1       GLN  35  -2.539   8.082  -7.068
  213   1HE2  GLN  35          1HE2      GLN  35  -3.599   8.378  -9.045
  214   2HE2  GLN  35          2HE2      GLN  35  -5.219   7.973  -9.342
  215    H    CYS  36           H        CYS  36  -4.226   5.522  -2.136
  216    HA   CYS  36           HA       CYS  36  -5.729   3.871  -1.376
  217   1HB   CYS  36          HB2       CYS  36  -7.077   3.897  -4.073
  218   2HB   CYS  36          HB1       CYS  36  -7.770   3.514  -2.496
  219    H    LYS  37           H        LYS  37  -3.218   3.240  -2.536
  220    HA   LYS  37           HA       LYS  37  -3.770   0.465  -3.355
  221   1HB   LYS  37          HB2       LYS  37  -2.160   0.701  -5.314
  222   2HB   LYS  37          HB1       LYS  37  -3.735   1.463  -5.537
  223   1HG   LYS  37          HG2       LYS  37  -2.871   3.629  -5.187
  224   2HG   LYS  37          HG1       LYS  37  -1.406   3.017  -4.418
  225   1HD   LYS  37          HD2       LYS  37  -1.057   3.835  -6.775
  226   2HD   LYS  37          HD1       LYS  37  -0.586   2.154  -6.525
  227   1HE   LYS  37          HE2       LYS  37  -2.269   1.347  -7.839
  228   2HE   LYS  37          HE1       LYS  37  -3.409   2.586  -7.313
  229   1HZ   LYS  37          HZ1       LYS  37  -2.975   3.151  -9.499
  230   2HZ   LYS  37          HZ2       LYS  37  -1.327   2.752  -9.394
  231   3HZ   LYS  37          HZ3       LYS  37  -1.911   4.160  -8.645
  232    H    PHE  38           H        PHE  38  -1.795  -0.864  -3.239
  233    HA   PHE  38           HA       PHE  38  -0.139  -0.168  -1.003
  234   1HB   PHE  38          HB2       PHE  38   0.099  -2.310  -3.128
  235   2HB   PHE  38          HB1       PHE  38   1.233  -2.170  -1.784
  236    HD1  PHE  38           HD1      PHE  38  -0.544  -1.318   0.418
  237    HD2  PHE  38           HD2      PHE  38  -1.154  -4.253  -2.659
  238    HE1  PHE  38           HE1      PHE  38  -2.136  -2.525   1.886
  239    HE2  PHE  38           HE2      PHE  38  -2.745  -5.461  -1.189
  240    HZ   PHE  38           HZ       PHE  38  -3.236  -4.597   1.082
  241    H    SER  39           H        SER  39   1.667   1.084  -0.960
  242    HA   SER  39           HA       SER  39   2.640   2.446  -3.278
  243   1HB   SER  39          HB2       SER  39   3.742   2.026  -0.502
  244   2HB   SER  39          HB1       SER  39   4.663   2.899  -1.724
  245    HG   SER  39           HG       SER  39   1.972   3.501  -1.065
  246    H    ARG  40           H        ARG  40   5.336   2.238  -3.442
  247    HA   ARG  40           HA       ARG  40   5.678  -0.534  -4.458
  248   1HB   ARG  40          HB2       ARG  40   7.693   1.656  -4.866
  249   2HB   ARG  40          HB1       ARG  40   7.278   0.311  -5.931
  250   1HG   ARG  40          HG2       ARG  40   4.887   1.625  -5.795
  251   2HG   ARG  40          HG1       ARG  40   6.019   2.972  -5.682
  252   1HD   ARG  40          HD2       ARG  40   6.556   0.878  -7.742
  253   2HD   ARG  40          HD1       ARG  40   5.241   2.014  -8.046
  254    HE   ARG  40           HE       ARG  40   8.033   2.631  -8.244
  255   1HH1  ARG  40          1HH1      ARG  40   5.041   3.955  -8.621
  256   2HH1  ARG  40          2HH1      ARG  40   5.462   5.562  -8.124
  257   1HH2  ARG  40          1HH2      ARG  40   8.589   4.659  -6.930
  258   2HH2  ARG  40          2HH2      ARG  40   7.471   5.960  -7.167
  259    H    ALA  41           H        ALA  41   7.232  -1.912  -3.619
  260    HA   ALA  41           HA       ALA  41   8.118  -1.680  -0.976
  261   1HB   ALA  41          HB1       ALA  41   9.874  -3.033  -3.009
  262   2HB   ALA  41          HB2       ALA  41   8.270  -3.683  -2.677
  263   3HB   ALA  41          HB3       ALA  41   9.456  -3.560  -1.379
  264    H    GLY  42           H        GLY  42  10.386  -1.353  -0.185
  265   1HA   GLY  42          HA2       GLY  42  12.342  -0.052  -0.041
  266   2HA   GLY  42          HA1       GLY  42  12.253   0.167  -1.790
  267    H    LYS  43           H        LYS  43   9.443   0.908   0.093
  268    HA   LYS  43           HA       LYS  43   9.808   3.781  -0.601
  269   1HB   LYS  43          HB2       LYS  43   7.668   2.968  -1.247
  270   2HB   LYS  43          HB1       LYS  43   7.432   2.145   0.290
  271   1HG   LYS  43          HG2       LYS  43   6.159   4.332   0.022
  272   2HG   LYS  43          HG1       LYS  43   7.167   4.218   1.464
  273   1HD   LYS  43          HD2       LYS  43   8.898   5.548   0.459
  274   2HD   LYS  43          HD1       LYS  43   8.125   5.466  -1.122
  275   1HE   LYS  43          HE2       LYS  43   6.090   6.567   0.123
  276   2HE   LYS  43          HE1       LYS  43   7.314   7.047   1.300
  277   1HZ   LYS  43          HZ1       LYS  43   7.087   7.789  -1.543
  278   2HZ   LYS  43          HZ2       LYS  43   8.595   7.841  -0.763
  279   3HZ   LYS  43          HZ3       LYS  43   7.307   8.790  -0.193
  280    H    ILE  44           H        ILE  44  10.913   4.892   0.919
  281    HA   ILE  44           HA       ILE  44  11.377   4.212   3.583
  282    HB   ILE  44           HB       ILE  44  12.615   6.005   2.561
  283   1HG1  ILE  44          2HG1      ILE  44  12.445   7.729   4.286
  284   2HG1  ILE  44          1HG1      ILE  44  10.829   7.171   4.720
  285   1HG2  ILE  44          1HG2      ILE  44  10.739   6.764   1.084
  286   2HG2  ILE  44          2HG2      ILE  44  11.573   8.098   1.880
  287   3HG2  ILE  44          3HG2      ILE  44  10.007   7.554   2.482
  288   1HD1  ILE  44          1HD1      ILE  44  11.615   5.331   5.838
  289   2HD1  ILE  44          2HD1      ILE  44  13.050   6.341   6.009
  290   3HD1  ILE  44          3HD1      ILE  44  12.978   5.120   4.739
  291    H    CYS  45           H        CYS  45   9.867   3.743   5.085
  292    HA   CYS  45           HA       CYS  45   7.397   5.441   5.224
  293   1HB   CYS  45          HB2       CYS  45   6.537   3.550   6.631
  294   2HB   CYS  45          HB1       CYS  45   6.795   3.151   4.937
  295    H    ARG  46           H        ARG  46  10.295   4.515   6.893
  296    HA   ARG  46           HA       ARG  46   9.529   6.330   9.112
  297   1HB   ARG  46          HB2       ARG  46   8.948   3.926   9.729
  298   2HB   ARG  46          HB1       ARG  46  10.676   3.586   9.669
  299   1HG   ARG  46          HG2       ARG  46  10.888   4.379  11.762
  300   2HG   ARG  46          HG1       ARG  46  10.341   5.958  11.202
  301   1HD   ARG  46          HD2       ARG  46   8.272   3.854  11.660
  302   2HD   ARG  46          HD1       ARG  46   8.999   4.618  13.075
  303    HE   ARG  46           HE       ARG  46   7.987   6.441  10.982
  304   1HH1  ARG  46          1HH1      ARG  46   7.136   4.545  13.702
  305   2HH1  ARG  46          2HH1      ARG  46   6.117   5.755  14.407
  306   1HH2  ARG  46          1HH2      ARG  46   6.858   8.151  12.012
  307   2HH2  ARG  46          2HH2      ARG  46   5.960   7.798  13.449
  308    H    ILE  47           H        ILE  47  11.362   7.183  10.238
  309    HA   ILE  47           HA       ILE  47  13.917   6.838   8.734
  310    HB   ILE  47           HB       ILE  47  12.705   9.136   8.972
  311   1HG1  ILE  47          2HG1      ILE  47  15.572   9.132   9.907
  312   2HG1  ILE  47          1HG1      ILE  47  15.148   8.593   8.282
  313   1HG2  ILE  47          1HG2      ILE  47  14.206   9.362  11.547
  314   2HG2  ILE  47          2HG2      ILE  47  12.614   8.604  11.582
  315   3HG2  ILE  47          3HG2      ILE  47  12.791  10.256  10.992
  316   1HD1  ILE  47          1HD1      ILE  47  14.453  10.695   7.612
  317   2HD1  ILE  47          2HD1      ILE  47  15.712  11.144   8.762
  318   3HD1  ILE  47          3HD1      ILE  47  14.018  11.187   9.249
  319    HA   PRO  48           HA       PRO  48  15.546   4.954  12.379
  320   1HB   PRO  48          HB2       PRO  48  18.203   5.109  11.688
  321   2HB   PRO  48          HB1       PRO  48  17.077   3.923  11.005
  322   1HG   PRO  48          HG2       PRO  48  18.204   6.383   9.747
  323   2HG   PRO  48          HG1       PRO  48  17.634   4.890   8.981
  324   1HD   PRO  48          HD2       PRO  48  16.208   7.323   9.120
  325   2HD   PRO  48          HD1       PRO  48  15.527   5.744   8.678
  326    H    ARG  49           H        ARG  49  16.307   5.681  14.372
  327    HA   ARG  49           HA       ARG  49  17.089   8.549  14.518
  328   1HB   ARG  49          HB2       ARG  49  15.835   6.602  16.422
  329   2HB   ARG  49          HB1       ARG  49  16.749   7.960  17.078
  330   1HG   ARG  49          HG2       ARG  49  14.693   8.980  16.896
  331   2HG   ARG  49          HG1       ARG  49  15.299   9.303  15.270
  332   1HD   ARG  49          HD2       ARG  49  13.118   8.400  14.952
  333   2HD   ARG  49          HD1       ARG  49  14.224   7.074  14.594
  334    HE   ARG  49           HE       ARG  49  13.257   7.199  17.374
  335   1HH1  ARG  49          1HH2      ARG  49  12.388   6.263  14.200
  336   2HH1  ARG  49          2HH2      ARG  49  11.739   4.729  14.674
  337   1HH2  ARG  49          1HH1      ARG  49  12.656   5.070  17.999
  338   2HH2  ARG  49          2HH1      ARG  49  11.892   4.054  16.823
  339    H    GLY  50           H        GLY  50  19.234   7.487  13.588
  340   1HA   GLY  50          HA2       GLY  50  21.414   7.872  15.054
  341   2HA   GLY  50          HA1       GLY  50  20.891   6.348  15.773
  342    H    ASP  51           H        ASP  51  21.808   4.577  14.862
  343    HA   ASP  51           HA       ASP  51  22.780   4.809  12.044
  344   1HB   ASP  51          HB2       ASP  51  24.293   2.886  12.700
  345   2HB   ASP  51          HB1       ASP  51  24.616   4.398  13.551
  346    H    MET  52           H        MET  52  20.121   4.254  12.216
  347    HA   MET  52           HA       MET  52  19.941   1.286  11.916
  348   1HB   MET  52          HB2       MET  52  18.017   3.384  12.827
  349   2HB   MET  52          HB1       MET  52  17.366   1.982  11.977
  350   1HG   MET  52          HG2       MET  52  19.361   1.236  13.976
  351   2HG   MET  52          HG1       MET  52  17.991   2.090  14.684
  352   1HE   MET  52          HE1       MET  52  19.409  -0.844  12.891
  353   2HE   MET  52          HE2       MET  52  18.301  -2.139  13.340
  354   3HE   MET  52          HE3       MET  52  19.144  -1.237  14.595
  355    HA   PRO  53           HA       PRO  53  19.161   1.825   7.631
  356   1HB   PRO  53          HB2       PRO  53  17.646  -0.424   7.172
  357   2HB   PRO  53          HB1       PRO  53  19.399  -0.461   7.433
  358   1HG   PRO  53          HG2       PRO  53  17.206  -1.246   9.296
  359   2HG   PRO  53          HG1       PRO  53  18.877  -1.830   9.220
  360   1HD   PRO  53          HD2       PRO  53  17.870   0.048  11.077
  361   2HD   PRO  53          HD1       PRO  53  19.587  -0.279  10.754
  362    H    ASP  54           H        ASP  54  17.730   3.281   6.764
  363    HA   ASP  54           HA       ASP  54  15.294   4.100   7.824
  364   1HB   ASP  54          HB2       ASP  54  15.947   3.922   4.866
  365   2HB   ASP  54          HB1       ASP  54  14.749   4.985   5.605
  366    H    ASP  55           H        ASP  55  13.215   3.309   7.828
  367    HA   ASP  55           HA       ASP  55  12.806   0.540   7.009
  368   1HB   ASP  55          HB2       ASP  55  11.721   1.988   8.983
  369   2HB   ASP  55          HB1       ASP  55  10.499   2.285   7.746
  370    H    ARG  56           H        ARG  56  11.817  -0.165   5.145
  371    HA   ARG  56           HA       ARG  56  10.588   1.912   3.379
  372   1HB   ARG  56          HB2       ARG  56  12.066  -0.412   2.216
  373   2HB   ARG  56          HB1       ARG  56  11.759   1.179   1.525
  374   1HG   ARG  56          HG2       ARG  56  13.231   1.846   3.725
  375   2HG   ARG  56          HG1       ARG  56  13.949   0.294   3.291
  376   1HD   ARG  56          HD2       ARG  56  14.671   1.052   1.218
  377   2HD   ARG  56          HD1       ARG  56  13.423   2.293   1.121
  378    HE   ARG  56           HE       ARG  56  15.324   2.796   3.266
  379   1HH1  ARG  56          1HH1      ARG  56  17.135   2.534   0.962
  380   2HH1  ARG  56          2HH1      ARG  56  17.097   4.112   0.248
  381   1HH2  ARG  56          1HH2      ARG  56  14.201   5.075   1.895
  382   2HH2  ARG  56          2HH2      ARG  56  15.435   5.552   0.777
  383    H    CYS  57           H        CYS  57   8.776   1.286   2.250
  384    HA   CYS  57           HA       CYS  57   7.211  -0.865   3.309
  385   1HB   CYS  57          HB2       CYS  57   6.820   0.453   0.617
  386   2HB   CYS  57          HB1       CYS  57   5.593  -0.282   1.647
  387    H    THR  58           H        THR  58   6.407  -2.719   2.035
  388    HA   THR  58           HA       THR  58   8.617  -3.961   0.504
  389    HB   THR  58           HB       THR  58   7.538  -6.059   0.948
  390    HG1  THR  58           HG1      THR  58   5.356  -4.381   1.458
  391   1HG2  THR  58          1HG2      THR  58   8.708  -5.250   2.884
  392   2HG2  THR  58          2HG2      THR  58   7.176  -5.913   3.454
  393   3HG2  THR  58          3HG2      THR  58   7.380  -4.169   3.305
  394    H    GLY  59           H        GLY  59   6.015  -2.096  -0.219
  395   1HA   GLY  59          HA2       GLY  59   5.290  -1.642  -2.463
  396   2HA   GLY  59          HA1       GLY  59   5.866  -3.237  -2.947
  397    H    GLN  60           H        GLN  60   4.398  -4.210  -0.353
  398    HA   GLN  60           HA       GLN  60   1.652  -4.154  -1.534
  399   1HB   GLN  60          HB2       GLN  60   3.223  -6.501  -0.460
  400   2HB   GLN  60          HB1       GLN  60   1.467  -6.542  -0.622
  401   1HG   GLN  60          HG2       GLN  60   2.863  -5.541  -3.013
  402   2HG   GLN  60          HG1       GLN  60   3.231  -7.220  -2.618
  403   1HE2  GLN  60          1HE2      GLN  60   1.058  -8.486  -1.925
  404   2HE2  GLN  60          2HE2      GLN  60  -0.260  -8.234  -2.964
  405    H    SER  61           H        SER  61   3.602  -3.668   1.230
  406    HA   SER  61           HA       SER  61   1.463  -4.216   3.171
  407   1HB   SER  61          HB2       SER  61   3.715  -2.547   4.059
  408   2HB   SER  61          HB1       SER  61   3.104  -4.057   4.728
  409    HG   SER  61           HG       SER  61   4.776  -4.919   3.796
  410    H    ALA  62           H        ALA  62   0.143  -2.668   4.148
  411    HA   ALA  62           HA       ALA  62   0.015  -0.044   2.801
  412   1HB   ALA  62          HB1       ALA  62  -1.742  -1.370   4.884
  413   2HB   ALA  62          HB2       ALA  62  -2.113  -1.119   3.178
  414   3HB   ALA  62          HB3       ALA  62  -2.022   0.261   4.273
  415    H    ASP  63           H        ASP  63   0.321  -1.269   6.149
  416    HA   ASP  63           HA       ASP  63   1.175   1.423   7.041
  417   1HB   ASP  63          HB2       ASP  63   1.224  -0.926   8.885
  418   2HB   ASP  63          HB1       ASP  63   0.697   0.730   9.190
  419    H    CYS  64           H        CYS  64   3.218   1.455   8.486
  420    HA   CYS  64           HA       CYS  64   5.288  -0.120   7.065
  421   1HB   CYS  64          HB2       CYS  64   5.661   2.267   7.070
  422   2HB   CYS  64          HB1       CYS  64   5.583   2.321   8.822
  423    HA   PRO  65           HA       PRO  65   5.440  -2.586  10.753
  424   1HB   PRO  65          HB2       PRO  65   6.950  -4.537   9.564
  425   2HB   PRO  65          HB1       PRO  65   5.194  -4.443   9.414
  426   1HG   PRO  65          HG2       PRO  65   7.307  -3.805   7.420
  427   2HG   PRO  65          HG1       PRO  65   5.621  -4.281   7.154
  428   1HD   PRO  65          HD2       PRO  65   6.656  -1.657   6.972
  429   2HD   PRO  65          HD1       PRO  65   4.938  -2.106   7.027
  430    H    ARG  66           H        ARG  66   7.540  -3.847  11.700
  431    HA   ARG  66           HA       ARG  66   9.673  -1.785  11.813
  432   1HB   ARG  66          HB2       ARG  66   9.096  -4.200  13.555
  433   2HB   ARG  66          HB1       ARG  66  10.453  -3.100  13.800
  434   1HG   ARG  66          HG2       ARG  66   8.433  -1.304  13.645
  435   2HG   ARG  66          HG1       ARG  66   7.561  -2.681  14.321
  436   1HD   ARG  66          HD2       ARG  66  10.148  -1.572  15.447
  437   2HD   ARG  66          HD1       ARG  66   8.544  -1.200  16.080
  438    HE   ARG  66           HE       ARG  66   8.869  -4.041  15.977
  439   1HH1  ARG  66          1HH1      ARG  66  10.649  -1.487  17.377
  440   2HH1  ARG  66          2HH1      ARG  66  10.697  -2.190  18.960
  441   1HH2  ARG  66          1HH2      ARG  66   8.638  -4.851  18.131
  442   2HH2  ARG  66          2HH2      ARG  66   9.557  -4.092  19.386
  443    H    TYR  67           H        TYR  67  11.968  -2.657  11.938
  444    HA   TYR  67           HA       TYR  67  12.462  -4.370   9.637
  445   1HB   TYR  67          HB2       TYR  67  13.892  -2.392  10.848
  446   2HB   TYR  67          HB1       TYR  67  14.689  -3.819  11.507
  447    HD1  TYR  67           HD2      TYR  67  13.283  -2.696   8.207
  448    HD2  TYR  67           HD1      TYR  67  16.501  -4.629  10.297
  449    HE1  TYR  67           HE2      TYR  67  14.483  -3.018   6.062
  450    HE2  TYR  67           HE1      TYR  67  17.700  -4.950   8.150
  451    HH   TYR  67           HH       TYR  67  16.456  -3.583   5.129
  452    H    HIS  68           H        HIS  68  12.014  -4.881  13.007
  453    HA   HIS  68           HA       HIS  68  12.118  -7.728  12.766
  454   1HB   HIS  68          HB2       HIS  68  14.166  -8.251  13.932
  455   2HB   HIS  68          HB1       HIS  68  14.584  -7.183  12.590
  456    HD1  HIS  68           HD1      HIS  68  15.563  -7.592  15.888
  457    HD2  HIS  68           HD2      HIS  68  14.176  -4.256  13.807
  458    HE1  HIS  68           HE1      HIS  68  16.342  -5.561  17.187
  Start of MODEL    8
    1   1H    GLY   1          HT1       GLY   1  -8.905  -5.718  14.645
    2   2H    GLY   1          HT2       GLY   1  -7.467  -6.343  13.990
    3   3H    GLY   1          HT3       GLY   1  -8.355  -7.252  15.117
    4   1HA   GLY   1          HA1       GLY   1  -9.026  -8.268  13.204
    5   2HA   GLY   1          HA2       GLY   1 -10.250  -7.008  13.358
    6    H    LYS   2           H        LYS   2 -10.373  -7.255  10.949
    7    HA   LYS   2           HA       LYS   2  -8.530  -5.328   9.672
    8   1HB   LYS   2          HB2       LYS   2  -8.033  -6.826   7.798
    9   2HB   LYS   2          HB1       LYS   2  -7.501  -7.566   9.309
   10   1HG   LYS   2          HG2       LYS   2  -8.834  -9.336   8.937
   11   2HG   LYS   2          HG1       LYS   2 -10.243  -8.276   8.861
   12   1HD   LYS   2          HD2       LYS   2 -10.395  -8.729   6.662
   13   2HD   LYS   2          HD1       LYS   2  -8.861  -7.889   6.432
   14   1HE   LYS   2          HE2       LYS   2  -7.649  -9.836   6.326
   15   2HE   LYS   2          HE1       LYS   2  -8.714 -10.683   7.449
   16   1HZ   LYS   2          HZ1       LYS   2  -9.810 -11.550   5.753
   17   2HZ   LYS   2          HZ2       LYS   2  -8.719 -10.820   4.675
   18   3HZ   LYS   2          HZ3       LYS   2 -10.147 -10.012   5.120
   19    H    GLU   3           H        GLU   3 -11.223  -4.970  10.349
   20    HA   GLU   3           HA       GLU   3 -12.679  -5.323   7.769
   21   1HB   GLU   3          HB2       GLU   3 -13.556  -4.845  10.612
   22   2HB   GLU   3          HB1       GLU   3 -14.636  -4.463   9.270
   23   1HG   GLU   3          HG2       GLU   3 -14.910  -6.671   8.679
   24   2HG   GLU   3          HG1       GLU   3 -13.294  -7.126   9.223
   25    H    CYS   4           H        CYS   4 -10.853  -3.046   9.425
   26    HA   CYS   4           HA       CYS   4 -12.304  -0.807   8.079
   27   1HB   CYS   4          HB2       CYS   4 -10.971  -1.040  10.716
   28   2HB   CYS   4          HB1       CYS   4 -10.683   0.465   9.842
   29    H    ASP   5           H        ASP   5 -11.254  -0.316   6.209
   30    HA   ASP   5           HA       ASP   5  -8.344  -0.788   6.001
   31   1HB   ASP   5          HB2       ASP   5 -10.081  -1.365   4.180
   32   2HB   ASP   5          HB1       ASP   5 -10.116   0.367   3.847
   33    H    CYS   6           H        CYS   6 -10.424   1.768   6.829
   34    HA   CYS   6           HA       CYS   6  -8.162   3.674   6.502
   35   1HB   CYS   6          HB2       CYS   6  -9.572   5.393   5.601
   36   2HB   CYS   6          HB1       CYS   6  -9.866   3.947   4.635
   37    H    SER   7           H        SER   7  -8.412   5.590   7.942
   38    HA   SER   7           HA       SER   7  -9.892   4.822  10.418
   39   1HB   SER   7          HB2       SER   7  -7.238   5.516  10.089
   40   2HB   SER   7          HB1       SER   7  -7.965   7.027  10.624
   41    HG   SER   7           HG       SER   7  -7.930   4.504  11.893
   42    H    SER   8           H        SER   8 -10.792   6.393   7.902
   43    HA   SER   8           HA       SER   8 -12.095   8.556   9.459
   44   1HB   SER   8          HB2       SER   8 -10.389   8.919   7.005
   45   2HB   SER   8          HB1       SER   8 -11.706  10.037   7.347
   46    HG   SER   8           HG       SER   8  -9.328  10.167   8.316
   47    HA   PRO   9           HA       PRO   9 -15.503   7.022   7.096
   48   1HB   PRO   9          HB2       PRO   9 -17.315   8.938   7.867
   49   2HB   PRO   9          HB1       PRO   9 -16.821   7.588   8.902
   50   1HG   PRO   9          HG2       PRO   9 -16.052  10.463   9.075
   51   2HG   PRO   9          HG1       PRO   9 -16.120   9.241  10.355
   52   1HD   PRO   9          HD2       PRO   9 -13.773  10.156   9.056
   53   2HD   PRO   9          HD1       PRO   9 -13.901   8.723  10.098
   54    H    GLU  10           H        GLU  10 -14.833  10.532   7.032
   55    HA   GLU  10           HA       GLU  10 -16.272  11.167   4.678
   56   1HB   GLU  10          HB2       GLU  10 -14.865  12.651   6.396
   57   2HB   GLU  10          HB1       GLU  10 -13.628  12.480   5.150
   58   1HG   GLU  10          HG2       GLU  10 -14.678  13.960   3.816
   59   2HG   GLU  10          HG1       GLU  10 -16.195  13.069   3.947
   60    H    ASN  11           H        ASN  11 -13.116   9.678   5.121
   61    HA   ASN  11           HA       ASN  11 -11.947   9.945   2.618
   62   1HB   ASN  11          HB2       ASN  11 -10.943   8.683   4.501
   63   2HB   ASN  11          HB1       ASN  11 -12.108   7.385   4.234
   64   1HD2  ASN  11          1HD2      ASN  11  -9.021   7.603   3.839
   65   2HD2  ASN  11          2HD2      ASN  11  -8.784   6.990   2.274
   66    HA   PRO  12           HA       PRO  12 -15.205   8.107   0.145
   67   1HB   PRO  12          HB2       PRO  12 -14.121   8.876  -2.262
   68   2HB   PRO  12          HB1       PRO  12 -15.078   9.953  -1.232
   69   1HG   PRO  12          HG2       PRO  12 -12.130   9.911  -1.676
   70   2HG   PRO  12          HG1       PRO  12 -13.174  11.264  -1.218
   71   1HD   PRO  12          HD2       PRO  12 -11.509   9.798   0.533
   72   2HD   PRO  12          HD1       PRO  12 -12.807  10.911   1.017
   73    H    CYS  13           H        CYS  13 -11.758   7.549  -0.033
   74    HA   CYS  13           HA       CYS  13 -11.798   5.432  -1.980
   75   1HB   CYS  13          HB2       CYS  13  -9.789   6.787  -0.867
   76   2HB   CYS  13          HB1       CYS  13  -9.789   5.413   0.236
   77    H    CYS  14           H        CYS  14 -12.540   5.559   1.438
   78    HA   CYS  14           HA       CYS  14 -12.870   2.586   1.394
   79   1HB   CYS  14          HB2       CYS  14 -12.401   2.535   3.745
   80   2HB   CYS  14          HB1       CYS  14 -11.143   3.519   3.000
   81    H    ASP  15           H        ASP  15 -14.878   1.810   1.772
   82    HA   ASP  15           HA       ASP  15 -17.152   3.551   1.832
   83   1HB   ASP  15          HB2       ASP  15 -16.900   1.009   1.144
   84   2HB   ASP  15          HB1       ASP  15 -17.302   0.729   2.836
   85    H    ALA  16           H        ALA  16 -18.307   4.355   3.564
   86    HA   ALA  16           HA       ALA  16 -17.072   4.242   6.199
   87   1HB   ALA  16          HB1       ALA  16 -19.842   5.273   5.941
   88   2HB   ALA  16          HB2       ALA  16 -18.631   6.086   4.951
   89   3HB   ALA  16          HB3       ALA  16 -18.433   6.013   6.702
   90    H    ALA  17           H        ALA  17 -20.066   2.970   4.742
   91    HA   ALA  17           HA       ALA  17 -21.159   1.793   7.080
   92   1HB   ALA  17          HB1       ALA  17 -22.713   0.949   5.654
   93   2HB   ALA  17          HB2       ALA  17 -21.493   0.210   4.618
   94   3HB   ALA  17          HB3       ALA  17 -21.892   1.918   4.431
   95    H    THR  18           H        THR  18 -18.891   0.449   4.678
   96    HA   THR  18           HA       THR  18 -18.524  -1.945   6.393
   97    HB   THR  18           HB       THR  18 -17.566  -2.986   4.528
   98    HG1  THR  18           HG1      THR  18 -16.577  -1.832   2.883
   99   1HG2  THR  18          1HG2      THR  18 -19.292  -0.899   3.179
  100   2HG2  THR  18          2HG2      THR  18 -19.962  -2.211   4.149
  101   3HG2  THR  18          3HG2      THR  18 -19.042  -2.574   2.688
  102    H    CYS  19           H        CYS  19 -17.105   1.099   5.795
  103    HA   CYS  19           HA       CYS  19 -15.147   2.089   6.624
  104   1HB   CYS  19          HB2       CYS  19 -15.896   0.989   8.746
  105   2HB   CYS  19          HB1       CYS  19 -14.950  -0.433   8.301
  106    H    LYS  20           H        LYS  20 -15.117   0.132   4.320
  107    HA   LYS  20           HA       LYS  20 -12.169  -0.322   4.373
  108   1HB   LYS  20          HB2       LYS  20 -14.318  -2.337   3.748
  109   2HB   LYS  20          HB1       LYS  20 -12.709  -2.483   3.036
  110   1HG   LYS  20          HG2       LYS  20 -12.411  -1.908   5.823
  111   2HG   LYS  20          HG1       LYS  20 -13.541  -3.253   5.650
  112   1HD   LYS  20          HD2       LYS  20 -10.799  -3.087   4.363
  113   2HD   LYS  20          HD1       LYS  20 -11.205  -4.060   5.776
  114   1HE   LYS  20          HE2       LYS  20 -12.256  -5.652   4.533
  115   2HE   LYS  20          HE1       LYS  20 -12.983  -4.464   3.453
  116   1HZ   LYS  20          HZ1       LYS  20 -11.467  -5.543   2.109
  117   2HZ   LYS  20          HZ2       LYS  20 -10.298  -5.675   3.335
  118   3HZ   LYS  20          HZ3       LYS  20 -10.596  -4.172   2.598
  119    H    LEU  21           H        LEU  21 -11.275  -0.604   2.159
  120    HA   LEU  21           HA       LEU  21 -11.850   1.423   0.393
  121   1HB   LEU  21          HB2       LEU  21 -10.847  -1.371  -0.162
  122   2HB   LEU  21          HB1       LEU  21 -10.937  -0.137  -1.421
  123    HG   LEU  21           HG       LEU  21  -9.672   0.755   1.094
  124   1HD1  LEU  21          1HD1      LEU  21  -8.963  -1.757   0.446
  125   2HD1  LEU  21          2HD1      LEU  21  -7.805  -0.585   1.077
  126   3HD1  LEU  21          3HD1      LEU  21  -7.905  -0.880  -0.659
  127   1HD2  LEU  21          1HD2      LEU  21  -9.768   1.455  -1.657
  128   2HD2  LEU  21          2HD2      LEU  21  -8.096   1.021  -1.301
  129   3HD2  LEU  21          3HD2      LEU  21  -8.896   2.284  -0.367
  130    H    ARG  22           H        ARG  22 -13.737   1.970  -0.564
  131    HA   ARG  22           HA       ARG  22 -15.833  -0.016  -1.001
  132   1HB   ARG  22          HB2       ARG  22 -16.773   2.023  -0.410
  133   2HB   ARG  22          HB1       ARG  22 -15.594   2.957  -1.318
  134   1HG   ARG  22          HG2       ARG  22 -16.643   2.193  -3.434
  135   2HG   ARG  22          HG1       ARG  22 -17.838   1.292  -2.502
  136   1HD   ARG  22          HD2       ARG  22 -18.468   3.470  -1.379
  137   2HD   ARG  22          HD1       ARG  22 -17.426   4.293  -2.539
  138    HE   ARG  22           HE       ARG  22 -19.837   2.704  -3.328
  139   1HH1  ARG  22          1HH2      ARG  22 -17.291   3.979  -4.906
  140   2HH1  ARG  22          2HH2      ARG  22 -18.156   5.190  -5.791
  141   1HH2  ARG  22          1HH1      ARG  22 -21.080   4.816  -3.963
  142   2HH2  ARG  22          2HH1      ARG  22 -20.303   5.664  -5.257
  143    HA   PRO  23           HA       PRO  23 -14.740   0.874  -5.570
  144   1HB   PRO  23          HB2       PRO  23 -12.423   2.265  -6.072
  145   2HB   PRO  23          HB1       PRO  23 -14.008   3.036  -5.879
  146   1HG   PRO  23          HG2       PRO  23 -11.711   2.973  -3.985
  147   2HG   PRO  23          HG1       PRO  23 -13.015   4.162  -4.129
  148   1HD   PRO  23          HD2       PRO  23 -12.832   2.109  -2.187
  149   2HD   PRO  23          HD1       PRO  23 -14.255   3.114  -2.521
  150    H    GLY  24           H        GLY  24 -12.254   0.607  -6.918
  151   1HA   GLY  24          HA2       GLY  24 -11.401  -2.032  -5.880
  152   2HA   GLY  24          HA1       GLY  24 -11.045  -1.391  -7.484
  153    H    ALA  25           H        ALA  25 -10.566   0.729  -4.799
  154    HA   ALA  25           HA       ALA  25  -7.747   1.001  -5.393
  155   1HB   ALA  25          HB1       ALA  25  -8.503   2.975  -4.508
  156   2HB   ALA  25          HB2       ALA  25  -7.972   2.225  -3.003
  157   3HB   ALA  25          HB3       ALA  25  -9.675   2.178  -3.459
  158    H    GLN  26           H        GLN  26  -5.980   0.490  -3.900
  159    HA   GLN  26           HA       GLN  26  -6.533  -2.021  -2.410
  160   1HB   GLN  26          HB2       GLN  26  -4.322  -1.003  -3.984
  161   2HB   GLN  26          HB1       GLN  26  -3.770  -1.499  -2.383
  162   1HG   GLN  26          HG2       GLN  26  -3.849  -3.638  -3.069
  163   2HG   GLN  26          HG1       GLN  26  -5.598  -3.481  -3.232
  164   1HE2  GLN  26          1HE2      GLN  26  -2.598  -2.664  -5.075
  165   2HE2  GLN  26          2HE2      GLN  26  -3.275  -2.989  -6.598
  166    H    CYS  27           H        CYS  27  -6.302   1.244  -1.750
  167    HA   CYS  27           HA       CYS  27  -6.091   0.765   1.108
  168   1HB   CYS  27          HB2       CYS  27  -4.055   2.245   1.382
  169   2HB   CYS  27          HB1       CYS  27  -3.728   0.660   0.682
  170    H    GLY  28           H        GLY  28  -6.898   2.528   2.268
  171   1HA   GLY  28          HA2       GLY  28  -7.920   4.772   0.602
  172   2HA   GLY  28          HA1       GLY  28  -8.588   4.281   2.156
  173    H    GLU  29           H        GLU  29  -5.630   4.015   3.075
  174    HA   GLU  29           HA       GLU  29  -4.611   6.733   3.029
  175   1HB   GLU  29          HB2       GLU  29  -5.082   7.378   5.283
  176   2HB   GLU  29          HB1       GLU  29  -6.615   6.859   4.590
  177   1HG   GLU  29          HG2       GLU  29  -6.825   5.276   6.172
  178   2HG   GLU  29          HG1       GLU  29  -5.283   4.567   5.693
  179    H    GLY  30           H        GLY  30  -2.822   6.917   4.837
  180   1HA   GLY  30          HA2       GLY  30  -1.402   5.372   6.315
  181   2HA   GLY  30          HA1       GLY  30  -1.410   4.280   4.928
  182    H    LEU  31           H        LEU  31   1.038   4.657   5.252
  183    HA   LEU  31           HA       LEU  31   1.884   7.198   3.946
  184   1HB   LEU  31          HB2       LEU  31   4.226   6.125   4.741
  185   2HB   LEU  31          HB1       LEU  31   3.257   7.182   5.765
  186    HG   LEU  31           HG       LEU  31   2.114   5.139   6.663
  187   1HD1  LEU  31          1HD1      LEU  31   3.983   3.153   6.127
  188   2HD1  LEU  31          2HD1      LEU  31   3.776   3.952   4.579
  189   3HD1  LEU  31          3HD1      LEU  31   2.384   3.271   5.413
  190   1HD2  LEU  31          1HD2      LEU  31   4.133   6.316   7.698
  191   2HD2  LEU  31          2HD2      LEU  31   5.108   5.022   7.017
  192   3HD2  LEU  31          3HD2      LEU  31   3.867   4.654   8.210
  193    H    CYS  32           H        CYS  32   1.871   3.723   3.651
  194    HA   CYS  32           HA       CYS  32   3.673   3.732   1.321
  195   1HB   CYS  32          HB2       CYS  32   1.879   1.496   2.307
  196   2HB   CYS  32          HB1       CYS  32   3.280   1.345   1.249
  197    H    CYS  33           H        CYS  33   0.369   4.284   1.953
  198    HA   CYS  33           HA       CYS  33  -0.638   3.283  -0.591
  199   1HB   CYS  33          HB2       CYS  33  -2.056   3.415   1.440
  200   2HB   CYS  33          HB1       CYS  33  -1.938   5.172   1.390
  201    H    GLU  34           H        GLU  34  -0.437   4.313  -2.483
  202    HA   GLU  34           HA       GLU  34  -0.229   7.298  -2.479
  203   1HB   GLU  34          HB2       GLU  34   1.963   6.534  -3.054
  204   2HB   GLU  34          HB1       GLU  34   1.324   5.261  -4.096
  205   1HG   GLU  34          HG2       GLU  34   0.568   6.850  -5.723
  206   2HG   GLU  34          HG1       GLU  34   0.854   8.204  -4.630
  207    H    GLN  35           H        GLN  35  -2.169   7.962  -3.322
  208    HA   GLN  35           HA       GLN  35  -3.917   8.171  -4.889
  209   1HB   GLN  35          HB2       GLN  35  -1.790   7.533  -6.442
  210   2HB   GLN  35          HB1       GLN  35  -2.788   6.103  -6.707
  211   1HG   GLN  35          HG2       GLN  35  -4.332   7.255  -7.908
  212   2HG   GLN  35          HG1       GLN  35  -4.287   8.635  -6.810
  213   1HE2  GLN  35          1HE2      GLN  35  -4.340   9.276  -9.491
  214   2HE2  GLN  35          2HE2      GLN  35  -2.812   9.802 -10.015
  215    H    CYS  36           H        CYS  36  -3.902   6.248  -2.727
  216    HA   CYS  36           HA       CYS  36  -5.238   4.497  -1.942
  217   1HB   CYS  36          HB2       CYS  36  -6.604   5.134  -4.549
  218   2HB   CYS  36          HB1       CYS  36  -7.104   3.766  -3.579
  219    H    LYS  37           H        LYS  37  -2.831   4.137  -3.849
  220    HA   LYS  37           HA       LYS  37  -3.402   1.272  -4.506
  221   1HB   LYS  37          HB2       LYS  37  -2.642   3.299  -6.271
  222   2HB   LYS  37          HB1       LYS  37  -1.142   2.430  -5.945
  223   1HG   LYS  37          HG2       LYS  37  -2.035   0.372  -6.701
  224   2HG   LYS  37          HG1       LYS  37  -3.694   0.965  -6.615
  225   1HD   LYS  37          HD2       LYS  37  -1.940   2.549  -8.374
  226   2HD   LYS  37          HD1       LYS  37  -2.196   0.889  -8.912
  227   1HE   LYS  37          HE2       LYS  37  -4.683   2.030  -7.977
  228   2HE   LYS  37          HE1       LYS  37  -3.968   3.060  -9.217
  229   1HZ   LYS  37          HZ1       LYS  37  -3.603   0.853 -10.452
  230   2HZ   LYS  37          HZ2       LYS  37  -5.164   1.525 -10.432
  231   3HZ   LYS  37          HZ3       LYS  37  -4.779   0.233  -9.399
  232    H    PHE  38           H        PHE  38  -2.125  -0.155  -3.412
  233    HA   PHE  38           HA       PHE  38  -0.351   0.545  -1.366
  234   1HB   PHE  38          HB2       PHE  38  -0.523  -1.920  -3.099
  235   2HB   PHE  38          HB1       PHE  38   0.683  -1.783  -1.821
  236    HD1  PHE  38           HD2      PHE  38  -0.761  -0.282   0.255
  237    HD2  PHE  38           HD1      PHE  38  -2.114  -3.464  -2.294
  238    HE1  PHE  38           HE2      PHE  38  -2.460  -0.913   1.945
  239    HE2  PHE  38           HE1      PHE  38  -3.813  -4.096  -0.600
  240    HZ   PHE  38           HZ       PHE  38  -3.987  -2.820   1.518
  241    H    SER  39           H        SER  39   1.556   1.631  -1.463
  242    HA   SER  39           HA       SER  39   2.932   2.240  -3.877
  243   1HB   SER  39          HB2       SER  39   3.729   2.290  -0.970
  244   2HB   SER  39          HB1       SER  39   4.919   2.631  -2.222
  245    HG   SER  39           HG       SER  39   2.529   3.999  -1.592
  246    H    ARG  40           H        ARG  40   5.594   1.536  -3.576
  247    HA   ARG  40           HA       ARG  40   5.433  -1.415  -3.976
  248   1HB   ARG  40          HB2       ARG  40   7.587   0.541  -4.842
  249   2HB   ARG  40          HB1       ARG  40   7.523  -1.173  -5.249
  250   1HG   ARG  40          HG2       ARG  40   5.028  -0.309  -6.028
  251   2HG   ARG  40          HG1       ARG  40   6.040   1.083  -6.416
  252   1HD   ARG  40          HD2       ARG  40   7.642  -0.807  -7.396
  253   2HD   ARG  40          HD1       ARG  40   6.121  -1.690  -7.531
  254    HE   ARG  40           HE       ARG  40   5.356  -0.057  -9.127
  255   1HH1  ARG  40          1HH1      ARG  40   8.502  -0.457  -9.508
  256   2HH1  ARG  40          2HH1      ARG  40   8.914   1.163  -9.963
  257   1HH2  ARG  40          1HH2      ARG  40   5.868   2.498  -8.988
  258   2HH2  ARG  40          2HH2      ARG  40   7.423   2.834  -9.671
  259    H    ALA  41           H        ALA  41   6.855  -2.788  -2.844
  260    HA   ALA  41           HA       ALA  41   7.596  -2.121  -0.218
  261   1HB   ALA  41          HB1       ALA  41   9.284  -4.065  -1.762
  262   2HB   ALA  41          HB2       ALA  41   7.577  -4.433  -1.508
  263   3HB   ALA  41          HB3       ALA  41   8.646  -4.200  -0.123
  264    H    GLY  42           H        GLY  42   9.946  -2.080   0.602
  265   1HA   GLY  42          HA2       GLY  42  12.064  -1.051   0.609
  266   2HA   GLY  42          HA1       GLY  42  11.993  -1.035  -1.155
  267    H    LYS  43           H        LYS  43   9.387   0.337   0.719
  268    HA   LYS  43           HA       LYS  43  10.062   3.004  -0.422
  269   1HB   LYS  43          HB2       LYS  43   7.717   1.812  -0.456
  270   2HB   LYS  43          HB1       LYS  43   7.602   2.443   1.185
  271   1HG   LYS  43          HG2       LYS  43   8.047   4.044  -1.339
  272   2HG   LYS  43          HG1       LYS  43   6.618   4.061  -0.302
  273   1HD   LYS  43          HD2       LYS  43   8.164   4.805   1.587
  274   2HD   LYS  43          HD1       LYS  43   9.391   5.078   0.348
  275   1HE   LYS  43          HE2       LYS  43   8.150   7.156   0.828
  276   2HE   LYS  43          HE1       LYS  43   7.865   6.620  -0.828
  277   1HZ   LYS  43          HZ1       LYS  43   5.713   6.443  -0.408
  278   2HZ   LYS  43          HZ2       LYS  43   5.974   7.103   1.136
  279   3HZ   LYS  43          HZ3       LYS  43   5.996   5.418   0.914
  280    H    ILE  44           H        ILE  44  11.430   4.146   0.881
  281    HA   ILE  44           HA       ILE  44  11.825   3.806   3.651
  282    HB   ILE  44           HB       ILE  44  13.381   5.097   2.300
  283   1HG1  ILE  44          2HG1      ILE  44  13.663   7.054   3.755
  284   2HG1  ILE  44          1HG1      ILE  44  12.000   6.895   4.319
  285   1HG2  ILE  44          1HG2      ILE  44  11.140   6.145   1.121
  286   2HG2  ILE  44          2HG2      ILE  44  12.765   6.806   0.930
  287   3HG2  ILE  44          3HG2      ILE  44  11.667   7.494   2.127
  288   1HD1  ILE  44          1HD1      ILE  44  13.768   5.903   5.857
  289   2HD1  ILE  44          2HD1      ILE  44  14.047   4.687   4.611
  290   3HD1  ILE  44          3HD1      ILE  44  12.468   4.803   5.391
  291    H    CYS  45           H        CYS  45   9.638   3.561   4.522
  292    HA   CYS  45           HA       CYS  45   7.726   5.744   4.422
  293   1HB   CYS  45          HB2       CYS  45   6.712   4.501   6.400
  294   2HB   CYS  45          HB1       CYS  45   6.808   3.606   4.885
  295    H    ARG  46           H        ARG  46  10.314   4.800   6.639
  296    HA   ARG  46           HA       ARG  46  10.039   7.459   7.936
  297   1HB   ARG  46          HB2       ARG  46   9.687   4.802   9.227
  298   2HB   ARG  46          HB1       ARG  46  10.650   5.986  10.112
  299   1HG   ARG  46          HG2       ARG  46   8.850   7.594  10.060
  300   2HG   ARG  46          HG1       ARG  46   7.908   6.575   8.971
  301   1HD   ARG  46          HD2       ARG  46   7.223   5.185  10.646
  302   2HD   ARG  46          HD1       ARG  46   8.767   5.283  11.493
  303    HE   ARG  46           HE       ARG  46   6.880   7.592  11.584
  304   1HH1  ARG  46          1HH1      ARG  46   9.326   7.804  13.179
  305   2HH1  ARG  46          2HH1      ARG  46   8.848   7.204  14.731
  306   1HH2  ARG  46          1HH2      ARG  46   5.990   5.643  13.539
  307   2HH2  ARG  46          2HH2      ARG  46   6.957   5.981  14.935
  308    H    ILE  47           H        ILE  47  12.010   8.175   8.943
  309    HA   ILE  47           HA       ILE  47  14.409   6.540   8.250
  310    HB   ILE  47           HB       ILE  47  14.066   8.368   6.593
  311   1HG1  ILE  47          2HG1      ILE  47  16.410   9.297   8.173
  312   2HG1  ILE  47          1HG1      ILE  47  16.376   7.583   7.758
  313   1HG2  ILE  47          1HG2      ILE  47  13.374   9.829   8.916
  314   2HG2  ILE  47          2HG2      ILE  47  13.440  10.425   7.258
  315   3HG2  ILE  47          3HG2      ILE  47  14.856  10.558   8.301
  316   1HD1  ILE  47          1HD1      ILE  47  15.950   9.801   5.742
  317   2HD1  ILE  47          2HD1      ILE  47  16.165   8.083   5.406
  318   3HD1  ILE  47          3HD1      ILE  47  17.511   9.035   6.035
  319    HA   PRO  48           HA       PRO  48  14.532   7.898  12.652
  320   1HB   PRO  48          HB2       PRO  48  15.038   5.388  13.649
  321   2HB   PRO  48          HB1       PRO  48  13.405   6.027  13.392
  322   1HG   PRO  48          HG2       PRO  48  14.901   4.003  11.791
  323   2HG   PRO  48          HG1       PRO  48  13.152   4.208  11.989
  324   1HD   PRO  48          HD2       PRO  48  14.671   5.030   9.747
  325   2HD   PRO  48          HD1       PRO  48  13.004   5.522  10.114
  326    H    ARG  49           H        ARG  49  16.515   8.827  13.017
  327    HA   ARG  49           HA       ARG  49  18.966   7.606  11.981
  328   1HB   ARG  49          HB2       ARG  49  18.182  10.198  12.582
  329   2HB   ARG  49          HB1       ARG  49  19.302   9.806  13.886
  330   1HG   ARG  49          HG2       ARG  49  20.762  10.597  12.247
  331   2HG   ARG  49          HG1       ARG  49  20.793   8.860  11.938
  332   1HD   ARG  49          HD2       ARG  49  20.275   9.451   9.804
  333   2HD   ARG  49          HD1       ARG  49  18.638   9.632  10.435
  334    HE   ARG  49           HE       ARG  49  19.880  12.089  10.919
  335   1HH1  ARG  49          1HH1      ARG  49  18.028  10.554   8.615
  336   2HH1  ARG  49          2HH1      ARG  49  18.421  11.625   7.313
  337   1HH2  ARG  49          1HH2      ARG  49  20.920  13.269   9.065
  338   2HH2  ARG  49          2HH2      ARG  49  20.061  13.157   7.566
  339    H    GLY  50           H        GLY  50  20.879   7.352  13.523
  340   1HA   GLY  50          HA2       GLY  50  21.711   6.820  15.738
  341   2HA   GLY  50          HA1       GLY  50  20.050   6.541  16.261
  342    H    ASP  51           H        ASP  51  20.334   4.411  16.989
  343    HA   ASP  51           HA       ASP  51  21.558   2.428  15.175
  344   1HB   ASP  51          HB2       ASP  51  21.083   0.844  17.065
  345   2HB   ASP  51          HB1       ASP  51  22.082   2.218  17.540
  346    H    MET  52           H        MET  52  19.133   3.676  14.238
  347    HA   MET  52           HA       MET  52  17.253   1.356  14.380
  348   1HB   MET  52          HB2       MET  52  16.812   4.306  14.340
  349   2HB   MET  52          HB1       MET  52  15.652   3.304  13.467
  350   1HG   MET  52          HG2       MET  52  15.358   1.920  15.523
  351   2HG   MET  52          HG1       MET  52  16.430   3.024  16.383
  352   1HE   MET  52          HE1       MET  52  13.417   1.859  15.534
  353   2HE   MET  52          HE2       MET  52  12.536   3.079  14.618
  354   3HE   MET  52          HE3       MET  52  12.260   2.919  16.350
  355    HA   PRO  53           HA       PRO  53  18.209   1.033  10.050
  356   1HB   PRO  53          HB2       PRO  53  16.474  -1.036   9.537
  357   2HB   PRO  53          HB1       PRO  53  18.048  -1.252  10.321
  358   1HG   PRO  53          HG2       PRO  53  15.323  -1.321  11.530
  359   2HG   PRO  53          HG1       PRO  53  16.811  -2.114  12.072
  360   1HD   PRO  53          HD2       PRO  53  15.694   0.245  13.169
  361   2HD   PRO  53          HD1       PRO  53  17.332  -0.373  13.471
  362    H    ASP  54           H        ASP  54  17.262   1.884   8.170
  363    HA   ASP  54           HA       ASP  54  14.904   3.483   8.397
  364   1HB   ASP  54          HB2       ASP  54  16.178   2.403   5.864
  365   2HB   ASP  54          HB1       ASP  54  15.105   3.798   5.983
  366    H    ASP  55           H        ASP  55  12.790   2.894   8.263
  367    HA   ASP  55           HA       ASP  55  12.133   0.092   7.668
  368   1HB   ASP  55          HB2       ASP  55  11.091   1.573   9.522
  369   2HB   ASP  55          HB1       ASP  55  10.134   2.282   8.221
  370    H    ARG  56           H        ARG  56  11.487  -0.599   5.690
  371    HA   ARG  56           HA       ARG  56  10.656   1.463   3.693
  372   1HB   ARG  56          HB2       ARG  56  11.667  -1.305   3.058
  373   2HB   ARG  56          HB1       ARG  56  11.560   0.090   1.986
  374   1HG   ARG  56          HG2       ARG  56  13.130   1.010   4.086
  375   2HG   ARG  56          HG1       ARG  56  13.683  -0.649   3.853
  376   1HD   ARG  56          HD2       ARG  56  14.314  -0.262   1.625
  377   2HD   ARG  56          HD1       ARG  56  13.291   1.167   1.485
  378    HE   ARG  56           HE       ARG  56  14.939   2.306   3.033
  379   1HH1  ARG  56          1HH1      ARG  56  16.579   0.007   3.863
  380   2HH1  ARG  56          2HH1      ARG  56  17.925   0.072   2.776
  381   1HH2  ARG  56          1HH2      ARG  56  16.334   2.159   0.509
  382   2HH2  ARG  56          2HH2      ARG  56  17.786   1.289   0.877
  383    H    CYS  57           H        CYS  57   8.631   1.287   2.802
  384    HA   CYS  57           HA       CYS  57   6.621  -0.305   3.932
  385   1HB   CYS  57          HB2       CYS  57   6.836   0.805   1.132
  386   2HB   CYS  57          HB1       CYS  57   5.387   0.023   1.749
  387    H    THR  58           H        THR  58   5.592  -2.256   3.181
  388    HA   THR  58           HA       THR  58   7.503  -4.212   2.125
  389    HB   THR  58           HB       THR  58   5.928  -5.858   2.770
  390    HG1  THR  58           HG1      THR  58   3.756  -5.386   3.025
  391   1HG2  THR  58          1HG2      THR  58   6.605  -3.790   4.541
  392   2HG2  THR  58          2HG2      THR  58   6.055  -5.408   4.972
  393   3HG2  THR  58          3HG2      THR  58   4.892  -4.092   4.824
  394    H    GLY  59           H        GLY  59   5.288  -2.050   0.786
  395   1HA   GLY  59          HA2       GLY  59   5.034  -1.797  -1.602
  396   2HA   GLY  59          HA1       GLY  59   5.411  -3.509  -1.795
  397    H    GLN  60           H        GLN  60   3.501  -4.063   0.535
  398    HA   GLN  60           HA       GLN  60   0.972  -3.751  -1.035
  399   1HB   GLN  60          HB2       GLN  60   1.605  -6.019   0.866
  400   2HB   GLN  60          HB1       GLN  60   0.267  -5.914  -0.277
  401   1HG   GLN  60          HG2       GLN  60   3.058  -5.694  -1.334
  402   2HG   GLN  60          HG1       GLN  60   2.458  -7.289  -0.879
  403   1HE2  GLN  60          1HE2      GLN  60   0.379  -7.999  -1.954
  404   2HE2  GLN  60          2HE2      GLN  60   0.009  -7.399  -3.497
  405    H    SER  61           H        SER  61   2.583  -3.110   1.910
  406    HA   SER  61           HA       SER  61   0.146  -2.990   3.543
  407   1HB   SER  61          HB2       SER  61   2.376  -3.519   4.532
  408   2HB   SER  61          HB1       SER  61   2.917  -1.895   4.121
  409    HG   SER  61           HG       SER  61   0.802  -2.646   5.861
  410    H    ALA  62           H        ALA  62  -0.438  -0.866   4.623
  411    HA   ALA  62           HA       ALA  62  -0.191   1.355   2.635
  412   1HB   ALA  62          HB1       ALA  62  -2.292   1.351   4.770
  413   2HB   ALA  62          HB2       ALA  62  -2.499   0.271   3.392
  414   3HB   ALA  62          HB3       ALA  62  -2.360   2.010   3.137
  415    H    ASP  63           H        ASP  63  -0.017   0.509   6.065
  416    HA   ASP  63           HA       ASP  63   1.019   3.243   6.657
  417   1HB   ASP  63          HB2       ASP  63   0.431   1.127   8.724
  418   2HB   ASP  63          HB1       ASP  63   0.447   2.882   8.914
  419    H    CYS  64           H        CYS  64   2.897   3.157   8.362
  420    HA   CYS  64           HA       CYS  64   4.760   1.003   7.478
  421   1HB   CYS  64          HB2       CYS  64   5.538   3.224   6.808
  422   2HB   CYS  64          HB1       CYS  64   5.454   3.769   8.479
  423    HA   PRO  65           HA       PRO  65   4.746  -0.292  11.675
  424   1HB   PRO  65          HB2       PRO  65   6.604  -2.268  11.298
  425   2HB   PRO  65          HB1       PRO  65   4.908  -2.444  10.855
  426   1HG   PRO  65          HG2       PRO  65   7.293  -2.068   9.124
  427   2HG   PRO  65          HG1       PRO  65   5.724  -2.788   8.729
  428   1HD   PRO  65          HD2       PRO  65   6.594  -0.174   8.046
  429   2HD   PRO  65          HD1       PRO  65   4.942  -0.812   7.897
  430    H    ARG  66           H        ARG  66   7.185  -1.365  12.796
  431    HA   ARG  66           HA       ARG  66   8.907   1.080  12.770
  432   1HB   ARG  66          HB2       ARG  66   8.056  -0.734  15.023
  433   2HB   ARG  66          HB1       ARG  66   9.508   0.259  15.153
  434   1HG   ARG  66          HG2       ARG  66   7.332   1.843  14.110
  435   2HG   ARG  66          HG1       ARG  66   6.840   1.068  15.615
  436   1HD   ARG  66          HD2       ARG  66   9.230   1.863  16.433
  437   2HD   ARG  66          HD1       ARG  66   9.045   3.038  15.131
  438    HE   ARG  66           HE       ARG  66   7.654   4.183  16.639
  439   1HH1  ARG  66          1HH2      ARG  66   5.337   2.440  16.102
  440   2HH1  ARG  66          2HH2      ARG  66   4.956   1.804  17.668
  441   1HH2  ARG  66          1HH1      ARG  66   8.022   2.648  19.051
  442   2HH2  ARG  66          2HH1      ARG  66   6.476   1.920  19.336
  443    H    TYR  67           H        TYR  67   8.800  -2.105  11.846
  444    HA   TYR  67           HA       TYR  67  11.663  -2.212  11.408
  445   1HB   TYR  67          HB2       TYR  67  11.665  -2.846  13.773
  446   2HB   TYR  67          HB1       TYR  67  10.453  -4.088  13.460
  447    HD1  TYR  67           HD1      TYR  67  12.988  -3.465  10.911
  448    HD2  TYR  67           HD2      TYR  67  12.019  -5.804  14.381
  449    HE1  TYR  67           HE1      TYR  67  14.784  -5.072  10.328
  450    HE2  TYR  67           HE2      TYR  67  13.815  -7.412  13.797
  451    HH   TYR  67           HH       TYR  67  15.400  -7.368  10.749
  452    H    HIS  68           H        HIS  68   8.604  -4.015  11.578
  453    HA   HIS  68           HA       HIS  68   9.490  -5.939   9.555
  454   1HB   HIS  68          HB2       HIS  68   7.650  -6.140  11.492
  455   2HB   HIS  68          HB1       HIS  68   6.596  -5.585  10.192
  456    HD1  HIS  68           HD1      HIS  68   5.475  -7.664   9.355
  457    HD2  HIS  68           HD2      HIS  68   9.572  -8.220   9.887
  458    HE1  HIS  68           HE1      HIS  68   6.005  -9.977   8.465
  Start of MODEL    9
    1   1H    GLY   1          HT1       GLY   1 -15.116  -7.804  14.585
    2   2H    GLY   1          HT2       GLY   1 -15.497  -9.459  14.631
    3   3H    GLY   1          HT3       GLY   1 -16.675  -8.301  15.032
    4   1HA   GLY   1          HA1       GLY   1 -16.514  -9.448  12.644
    5   2HA   GLY   1          HA2       GLY   1 -17.172  -7.833  12.905
    6    H    LYS   2           H        LYS   2 -16.124  -8.274  10.456
    7    HA   LYS   2           HA       LYS   2 -13.641  -6.636  10.525
    8   1HB   LYS   2          HB2       LYS   2 -12.718  -8.072   8.668
    9   2HB   LYS   2          HB1       LYS   2 -12.821  -8.893  10.225
   10   1HG   LYS   2          HG2       LYS   2 -14.714 -10.143   9.580
   11   2HG   LYS   2          HG1       LYS   2 -15.081  -9.058   8.237
   12   1HD   LYS   2          HD2       LYS   2 -12.408 -10.191   8.000
   13   2HD   LYS   2          HD1       LYS   2 -13.645 -11.448   8.076
   14   1HE   LYS   2          HE2       LYS   2 -14.835 -10.506   6.217
   15   2HE   LYS   2          HE1       LYS   2 -13.845  -9.047   6.244
   16   1HZ   LYS   2          HZ1       LYS   2 -12.601 -10.094   4.743
   17   2HZ   LYS   2          HZ2       LYS   2 -13.304 -11.606   5.064
   18   3HZ   LYS   2          HZ3       LYS   2 -12.022 -11.038   6.025
   19    H    GLU   3           H        GLU   3 -15.515  -5.097   9.974
   20    HA   GLU   3           HA       GLU   3 -16.012  -5.194   7.023
   21   1HB   GLU   3          HB2       GLU   3 -17.848  -4.788   9.284
   22   2HB   GLU   3          HB1       GLU   3 -17.989  -3.558   8.028
   23   1HG   GLU   3          HG2       GLU   3 -17.924  -5.638   6.406
   24   2HG   GLU   3          HG1       GLU   3 -18.459  -6.513   7.841
   25    H    CYS   4           H        CYS   4 -14.124  -3.727   9.179
   26    HA   CYS   4           HA       CYS   4 -14.468  -1.033   7.933
   27   1HB   CYS   4          HB2       CYS   4 -13.869  -1.892  10.681
   28   2HB   CYS   4          HB1       CYS   4 -12.780  -0.646  10.076
   29    H    ASP   5           H        ASP   5 -13.067  -1.005   6.220
   30    HA   ASP   5           HA       ASP   5 -10.430  -2.313   6.458
   31   1HB   ASP   5          HB2       ASP   5 -12.047  -2.205   4.357
   32   2HB   ASP   5          HB1       ASP   5 -11.231  -0.664   4.088
   33    H    CYS   6           H        CYS   6 -11.823   0.739   7.003
   34    HA   CYS   6           HA       CYS   6  -9.104   1.926   7.235
   35   1HB   CYS   6          HB2       CYS   6  -9.764   3.962   6.144
   36   2HB   CYS   6          HB1       CYS   6 -10.232   2.646   5.070
   37    H    SER   7           H        SER   7  -9.203   3.950   8.632
   38    HA   SER   7           HA       SER   7 -11.310   3.577  10.720
   39   1HB   SER   7          HB2       SER   7  -9.415   5.087  11.950
   40   2HB   SER   7          HB1       SER   7  -9.420   3.325  11.979
   41    HG   SER   7           HG       SER   7  -7.865   5.110  10.480
   42    H    SER   8           H        SER   8 -10.251   5.656   8.266
   43    HA   SER   8           HA       SER   8 -11.488   8.026   9.586
   44   1HB   SER   8          HB2       SER   8  -9.379   7.656   7.531
   45   2HB   SER   8          HB1       SER   8 -10.457   9.031   7.300
   46    HG   SER   8           HG       SER   8  -9.994   9.422   9.636
   47    HA   PRO   9           HA       PRO   9 -14.863   7.032   6.779
   48   1HB   PRO   9          HB2       PRO   9 -16.691   8.613   8.084
   49   2HB   PRO   9          HB1       PRO   9 -16.261   6.977   8.610
   50   1HG   PRO   9          HG2       PRO   9 -15.490   9.594   9.804
   51   2HG   PRO   9          HG1       PRO   9 -15.610   8.003  10.572
   52   1HD   PRO   9          HD2       PRO   9 -13.216   9.291   9.745
   53   2HD   PRO   9          HD1       PRO   9 -13.380   7.598  10.259
   54    H    GLU  10           H        GLU  10 -12.850   9.308   6.356
   55    HA   GLU  10           HA       GLU  10 -14.614  10.946   4.638
   56   1HB   GLU  10          HB2       GLU  10 -12.780  12.095   6.767
   57   2HB   GLU  10          HB1       GLU  10 -13.506  13.046   5.472
   58   1HG   GLU  10          HG2       GLU  10 -15.690  11.720   6.482
   59   2HG   GLU  10          HG1       GLU  10 -14.728  11.992   7.935
   60    H    ASN  11           H        ASN  11 -12.415   8.894   4.398
   61    HA   ASN  11           HA       ASN  11 -10.355  10.550   3.018
   62   1HB   ASN  11          HB2       ASN  11  -8.865   8.704   3.276
   63   2HB   ASN  11          HB1       ASN  11  -9.705   8.852   4.817
   64   1HD2  ASN  11          1HD2      ASN  11  -8.548   6.359   3.926
   65   2HD2  ASN  11          2HD2      ASN  11  -9.817   5.262   3.662
   66    HA   PRO  12           HA       PRO  12 -11.863   9.110  -0.855
   67   1HB   PRO  12          HB2       PRO  12  -9.625   9.673  -2.349
   68   2HB   PRO  12          HB1       PRO  12 -10.753  10.910  -1.771
   69   1HG   PRO  12          HG2       PRO  12  -8.017  10.265  -0.788
   70   2HG   PRO  12          HG1       PRO  12  -8.917  11.787  -0.685
   71   1HD   PRO  12          HD2       PRO  12  -8.567   9.899   1.410
   72   2HD   PRO  12          HD1       PRO  12  -9.683  11.281   1.413
   73    H    CYS  13           H        CYS  13 -10.039   7.227   0.983
   74    HA   CYS  13           HA       CYS  13  -9.185   5.425  -1.240
   75   1HB   CYS  13          HB2       CYS  13  -8.192   5.765   1.589
   76   2HB   CYS  13          HB1       CYS  13  -7.841   4.304   0.673
   77    H    CYS  14           H        CYS  14 -11.185   5.662   1.642
   78    HA   CYS  14           HA       CYS  14 -12.173   2.911   1.008
   79   1HB   CYS  14          HB2       CYS  14 -12.397   2.381   3.297
   80   2HB   CYS  14          HB1       CYS  14 -10.826   3.170   3.190
   81    H    ASP  15           H        ASP  15 -14.407   2.647   2.245
   82    HA   ASP  15           HA       ASP  15 -16.071   4.951   1.347
   83   1HB   ASP  15          HB2       ASP  15 -16.313   2.510   0.438
   84   2HB   ASP  15          HB1       ASP  15 -17.117   2.204   1.973
   85    H    ALA  16           H        ALA  16 -17.158   6.100   2.881
   86    HA   ALA  16           HA       ALA  16 -16.885   5.391   5.692
   87   1HB   ALA  16          HB1       ALA  16 -17.987   7.660   4.124
   88   2HB   ALA  16          HB2       ALA  16 -16.979   7.678   5.571
   89   3HB   ALA  16          HB3       ALA  16 -18.714   7.392   5.708
   90    H    ALA  17           H        ALA  17 -19.258   4.887   3.200
   91    HA   ALA  17           HA       ALA  17 -21.531   4.431   4.920
   92   1HB   ALA  17          HB1       ALA  17 -21.274   2.956   2.334
   93   2HB   ALA  17          HB2       ALA  17 -21.303   4.719   2.268
   94   3HB   ALA  17          HB3       ALA  17 -22.652   3.840   2.989
   95    H    THR  18           H        THR  18 -19.117   2.258   3.445
   96    HA   THR  18           HA       THR  18 -20.120   0.085   5.232
   97    HB   THR  18           HB       THR  18 -19.062  -1.478   3.698
   98    HG1  THR  18           HG1      THR  18 -17.942  -0.664   1.891
   99   1HG2  THR  18          1HG2      THR  18 -20.364  -1.043   1.685
  100   2HG2  THR  18          2HG2      THR  18 -20.505   0.663   2.109
  101   3HG2  THR  18          3HG2      THR  18 -21.305  -0.561   3.096
  102    H    CYS  19           H        CYS  19 -17.735   2.401   5.070
  103    HA   CYS  19           HA       CYS  19 -15.706   2.665   6.219
  104   1HB   CYS  19          HB2       CYS  19 -17.097   1.854   8.125
  105   2HB   CYS  19          HB1       CYS  19 -16.652   0.197   7.715
  106    H    LYS  20           H        LYS  20 -15.869   0.975   3.788
  107    HA   LYS  20           HA       LYS  20 -13.349  -0.557   4.240
  108   1HB   LYS  20          HB2       LYS  20 -15.949  -1.565   3.147
  109   2HB   LYS  20          HB1       LYS  20 -14.449  -2.201   2.472
  110   1HG   LYS  20          HG2       LYS  20 -14.280  -2.107   5.355
  111   2HG   LYS  20          HG1       LYS  20 -15.716  -3.003   4.860
  112   1HD   LYS  20          HD2       LYS  20 -13.544  -3.753   3.148
  113   2HD   LYS  20          HD1       LYS  20 -13.010  -3.889   4.824
  114   1HE   LYS  20          HE2       LYS  20 -15.540  -4.949   4.956
  115   2HE   LYS  20          HE1       LYS  20 -15.011  -5.479   3.360
  116   1HZ   LYS  20          HZ1       LYS  20 -14.250  -6.480   5.866
  117   2HZ   LYS  20          HZ2       LYS  20 -12.877  -5.804   5.129
  118   3HZ   LYS  20          HZ3       LYS  20 -13.767  -7.010   4.330
  119    H    LEU  21           H        LEU  21 -12.279  -1.067   2.077
  120    HA   LEU  21           HA       LEU  21 -11.653   1.153   0.582
  121   1HB   LEU  21          HB2       LEU  21 -11.768  -1.760  -0.120
  122   2HB   LEU  21          HB1       LEU  21 -11.414  -0.592  -1.394
  123    HG   LEU  21           HG       LEU  21  -9.863   0.129   0.888
  124   1HD1  LEU  21          1HD1      LEU  21 -10.370  -2.661   0.837
  125   2HD1  LEU  21          2HD1      LEU  21  -9.179  -1.804   1.817
  126   3HD1  LEU  21          3HD1      LEU  21  -8.727  -2.437   0.235
  127   1HD2  LEU  21          1HD2      LEU  21  -8.604  -1.297  -1.396
  128   2HD2  LEU  21          2HD2      LEU  21  -8.220   0.280  -0.706
  129   3HD2  LEU  21          3HD2      LEU  21  -9.587   0.107  -1.808
  130    H    ARG  22           H        ARG  22 -12.670   2.426  -0.933
  131    HA   ARG  22           HA       ARG  22 -15.420   1.605  -1.696
  132   1HB   ARG  22          HB2       ARG  22 -15.645   3.709  -0.796
  133   2HB   ARG  22          HB1       ARG  22 -14.060   4.239  -1.334
  134   1HG   ARG  22          HG2       ARG  22 -14.831   4.611  -3.561
  135   2HG   ARG  22          HG1       ARG  22 -16.310   3.691  -3.279
  136   1HD   ARG  22          HD2       ARG  22 -16.685   6.165  -3.257
  137   2HD   ARG  22          HD1       ARG  22 -17.130   5.384  -1.739
  138    HE   ARG  22           HE       ARG  22 -14.609   6.118  -1.153
  139   1HH1  ARG  22          1HH1      ARG  22 -17.135   7.807  -0.540
  140   2HH1  ARG  22          2HH1      ARG  22 -16.597   9.365  -1.073
  141   1HH2  ARG  22          1HH2      ARG  22 -13.888   8.117  -2.840
  142   2HH2  ARG  22          2HH2      ARG  22 -14.758   9.540  -2.374
  143    HA   PRO  23           HA       PRO  23 -13.735   2.699  -5.990
  144   1HB   PRO  23          HB2       PRO  23 -11.193   3.713  -6.232
  145   2HB   PRO  23          HB1       PRO  23 -12.633   4.722  -6.013
  146   1HG   PRO  23          HG2       PRO  23 -10.518   4.004  -4.027
  147   2HG   PRO  23          HG1       PRO  23 -11.527   5.459  -4.119
  148   1HD   PRO  23          HD2       PRO  23 -11.944   3.310  -2.358
  149   2HD   PRO  23          HD1       PRO  23 -13.139   4.551  -2.782
  150    H    GLY  24           H        GLY  24 -11.460   2.051  -7.381
  151   1HA   GLY  24          HA2       GLY  24 -11.065  -0.756  -6.635
  152   2HA   GLY  24          HA1       GLY  24 -10.434   0.031  -8.083
  153    H    ALA  25           H        ALA  25 -10.028   0.732  -4.599
  154    HA   ALA  25           HA       ALA  25  -7.113   1.023  -5.064
  155   1HB   ALA  25          HB1       ALA  25  -8.951   1.709  -2.766
  156   2HB   ALA  25          HB2       ALA  25  -8.005   2.807  -3.771
  157   3HB   ALA  25          HB3       ALA  25  -7.196   1.763  -2.603
  158    H    GLN  26           H        GLN  26  -5.670   0.065  -3.334
  159    HA   GLN  26           HA       GLN  26  -6.523  -2.740  -2.884
  160   1HB   GLN  26          HB2       GLN  26  -4.352  -3.344  -3.217
  161   2HB   GLN  26          HB1       GLN  26  -4.284  -1.797  -4.050
  162   1HG   GLN  26          HG2       GLN  26  -3.419  -2.373  -1.203
  163   2HG   GLN  26          HG1       GLN  26  -2.397  -1.944  -2.569
  164   1HE2  GLN  26          1HE2      GLN  26  -1.953  -0.254  -0.579
  165   2HE2  GLN  26          2HE2      GLN  26  -2.783   1.217  -0.754
  166    H    CYS  27           H        CYS  27  -5.885   0.193  -1.167
  167    HA   CYS  27           HA       CYS  27  -6.406  -1.268   1.352
  168   1HB   CYS  27          HB2       CYS  27  -4.412  -0.852   2.337
  169   2HB   CYS  27          HB1       CYS  27  -3.815  -0.526   0.719
  170    H    GLY  28           H        GLY  28  -7.574  -0.038   2.858
  171   1HA   GLY  28          HA2       GLY  28  -9.027   2.217   1.770
  172   2HA   GLY  28          HA1       GLY  28  -9.161   1.605   3.419
  173    H    GLU  29           H        GLU  29  -6.210   1.855   3.835
  174    HA   GLU  29           HA       GLU  29  -5.525   4.651   3.484
  175   1HB   GLU  29          HB2       GLU  29  -7.305   4.223   5.525
  176   2HB   GLU  29          HB1       GLU  29  -5.762   4.098   6.368
  177   1HG   GLU  29          HG2       GLU  29  -5.152   6.288   5.870
  178   2HG   GLU  29          HG1       GLU  29  -6.189   6.357   4.445
  179    H    GLY  30           H        GLY  30  -3.459   5.154   4.724
  180   1HA   GLY  30          HA2       GLY  30  -1.806   3.621   6.198
  181   2HA   GLY  30          HA1       GLY  30  -1.714   2.770   4.659
  182    H    LEU  31           H        LEU  31   0.631   3.881   5.608
  183    HA   LEU  31           HA       LEU  31   0.883   6.491   4.244
  184   1HB   LEU  31          HB2       LEU  31   2.708   6.879   5.548
  185   2HB   LEU  31          HB1       LEU  31   1.925   5.706   6.581
  186    HG   LEU  31           HG       LEU  31   3.928   4.880   4.487
  187   1HD1  LEU  31          1HD1      LEU  31   5.259   6.324   5.728
  188   2HD1  LEU  31          2HD1      LEU  31   5.410   4.856   6.677
  189   3HD1  LEU  31          3HD1      LEU  31   4.300   6.113   7.191
  190   1HD2  LEU  31          1HD2      LEU  31   4.051   2.888   5.856
  191   2HD2  LEU  31          2HD2      LEU  31   2.347   3.236   5.615
  192   3HD2  LEU  31          3HD2      LEU  31   3.120   3.652   7.141
  193    H    CYS  32           H        CYS  32   1.618   3.139   3.914
  194    HA   CYS  32           HA       CYS  32   3.435   3.544   1.634
  195   1HB   CYS  32          HB2       CYS  32   2.163   1.034   2.776
  196   2HB   CYS  32          HB1       CYS  32   3.409   1.067   1.525
  197    H    CYS  33           H        CYS  33   0.246   3.999   2.010
  198    HA   CYS  33           HA       CYS  33  -0.601   2.641  -0.487
  199   1HB   CYS  33          HB2       CYS  33  -2.112   4.105   1.694
  200   2HB   CYS  33          HB1       CYS  33  -2.881   3.519   0.223
  201    H    GLU  34           H        GLU  34   0.103   3.870  -2.212
  202    HA   GLU  34           HA       GLU  34  -0.085   6.815  -2.089
  203   1HB   GLU  34          HB2       GLU  34   0.954   6.673  -4.377
  204   2HB   GLU  34          HB1       GLU  34   1.920   5.901  -3.119
  205   1HG   GLU  34          HG2       GLU  34   1.813   3.937  -4.210
  206   2HG   GLU  34          HG1       GLU  34   0.051   3.981  -4.142
  207    H    GLN  35           H        GLN  35  -2.038   7.686  -2.573
  208    HA   GLN  35           HA       GLN  35  -4.086   8.029  -3.655
  209   1HB   GLN  35          HB2       GLN  35  -2.307   7.718  -5.645
  210   2HB   GLN  35          HB1       GLN  35  -3.298   6.290  -5.945
  211   1HG   GLN  35          HG2       GLN  35  -5.260   8.094  -5.570
  212   2HG   GLN  35          HG1       GLN  35  -4.004   9.170  -6.186
  213   1HE2  GLN  35          1HE2      GLN  35  -6.563   8.026  -7.488
  214   2HE2  GLN  35          2HE2      GLN  35  -6.013   7.367  -8.952
  215    H    CYS  36           H        CYS  36  -3.661   5.710  -1.903
  216    HA   CYS  36           HA       CYS  36  -4.996   3.917  -1.178
  217   1HB   CYS  36          HB2       CYS  36  -6.661   4.157  -3.676
  218   2HB   CYS  36          HB1       CYS  36  -7.155   3.635  -2.065
  219    H    LYS  37           H        LYS  37  -2.636   3.525  -2.673
  220    HA   LYS  37           HA       LYS  37  -3.247   0.891  -3.910
  221   1HB   LYS  37          HB2       LYS  37  -1.802   3.196  -5.213
  222   2HB   LYS  37          HB1       LYS  37  -1.431   1.532  -5.666
  223   1HG   LYS  37          HG2       LYS  37  -4.041   1.305  -5.883
  224   2HG   LYS  37          HG1       LYS  37  -3.991   3.062  -6.023
  225   1HD   LYS  37          HD2       LYS  37  -1.935   2.192  -7.698
  226   2HD   LYS  37          HD1       LYS  37  -3.238   1.035  -7.978
  227   1HE   LYS  37          HE2       LYS  37  -3.993   2.638  -9.421
  228   2HE   LYS  37          HE1       LYS  37  -4.652   3.356  -7.949
  229   1HZ   LYS  37          HZ1       LYS  37  -2.283   4.124  -9.495
  230   2HZ   LYS  37          HZ2       LYS  37  -2.276   4.392  -7.817
  231   3HZ   LYS  37          HZ3       LYS  37  -3.474   5.103  -8.789
  232    H    PHE  38           H        PHE  38  -1.561  -0.628  -3.579
  233    HA   PHE  38           HA       PHE  38   0.205  -0.111  -1.369
  234   1HB   PHE  38          HB2       PHE  38  -0.108  -2.346  -3.344
  235   2HB   PHE  38          HB1       PHE  38   1.328  -2.301  -2.327
  236    HD1  PHE  38           HD1      PHE  38   0.144  -1.090   0.174
  237    HD2  PHE  38           HD2      PHE  38  -1.298  -4.176  -2.445
  238    HE1  PHE  38           HE1      PHE  38  -1.177  -2.058   2.033
  239    HE2  PHE  38           HE2      PHE  38  -2.615  -5.143  -0.579
  240    HZ   PHE  38           HZ       PHE  38  -2.552  -4.082   1.660
  241    H    SER  39           H        SER  39   1.762   1.468  -1.681
  242    HA   SER  39           HA       SER  39   3.057   2.144  -4.080
  243   1HB   SER  39          HB2       SER  39   3.337   2.853  -1.388
  244   2HB   SER  39          HB1       SER  39   4.906   2.179  -1.819
  245    HG   SER  39           HG       SER  39   3.659   4.488  -2.657
  246    H    ARG  40           H        ARG  40   5.526   1.639  -4.466
  247    HA   ARG  40           HA       ARG  40   5.734  -1.292  -4.602
  248   1HB   ARG  40          HB2       ARG  40   7.588   0.898  -5.594
  249   2HB   ARG  40          HB1       ARG  40   7.797  -0.822  -5.916
  250   1HG   ARG  40          HG2       ARG  40   5.438  -0.780  -6.903
  251   2HG   ARG  40          HG1       ARG  40   5.555   0.981  -6.844
  252   1HD   ARG  40          HD2       ARG  40   7.221   1.063  -8.457
  253   2HD   ARG  40          HD1       ARG  40   7.801  -0.560  -8.087
  254    HE   ARG  40           HE       ARG  40   5.114  -0.566  -9.205
  255   1HH1  ARG  40          1HH1      ARG  40   7.904  -2.155  -9.524
  256   2HH1  ARG  40          2HH1      ARG  40   8.035  -2.069 -11.249
  257   1HH2  ARG  40          1HH2      ARG  40   5.529   0.304 -11.585
  258   2HH2  ARG  40          2HH2      ARG  40   6.689  -0.675 -12.417
  259    H    ALA  41           H        ALA  41   7.395  -2.505  -3.569
  260    HA   ALA  41           HA       ALA  41   8.129  -1.903  -0.962
  261   1HB   ALA  41          HB1       ALA  41   8.765  -4.059  -1.473
  262   2HB   ALA  41          HB2       ALA  41  10.333  -3.279  -1.693
  263   3HB   ALA  41          HB3       ALA  41   9.313  -3.621  -3.092
  264    H    GLY  42           H        GLY  42  10.331  -1.280  -0.111
  265   1HA   GLY  42          HA2       GLY  42  12.212   0.157  -0.102
  266   2HA   GLY  42          HA1       GLY  42  12.012   0.360  -1.843
  267    H    LYS  43           H        LYS  43   9.205   0.833   0.141
  268    HA   LYS  43           HA       LYS  43   9.326   3.739  -0.534
  269   1HB   LYS  43          HB2       LYS  43   7.255   2.758  -1.191
  270   2HB   LYS  43          HB1       LYS  43   7.079   1.926   0.350
  271   1HG   LYS  43          HG2       LYS  43   5.611   3.894   0.276
  272   2HG   LYS  43          HG1       LYS  43   6.866   4.113   1.496
  273   1HD   LYS  43          HD2       LYS  43   7.870   5.809   0.349
  274   2HD   LYS  43          HD1       LYS  43   7.578   5.052  -1.218
  275   1HE   LYS  43          HE2       LYS  43   5.131   5.669  -0.941
  276   2HE   LYS  43          HE1       LYS  43   5.613   6.638   0.453
  277   1HZ   LYS  43          HZ1       LYS  43   5.604   8.081  -1.385
  278   2HZ   LYS  43          HZ2       LYS  43   6.433   6.976  -2.372
  279   3HZ   LYS  43          HZ3       LYS  43   7.240   7.743  -1.088
  280    H    ILE  44           H        ILE  44  10.356   4.896   0.991
  281    HA   ILE  44           HA       ILE  44  10.863   4.202   3.643
  282    HB   ILE  44           HB       ILE  44  10.930   6.671   2.046
  283   1HG1  ILE  44          2HG1      ILE  44  12.879   5.238   2.536
  284   2HG1  ILE  44          1HG1      ILE  44  13.109   6.866   3.177
  285   1HG2  ILE  44          1HG2      ILE  44  10.354   6.770   5.001
  286   2HG2  ILE  44          2HG2      ILE  44   9.710   7.791   3.716
  287   3HG2  ILE  44          3HG2      ILE  44  11.377   7.999   4.255
  288   1HD1  ILE  44          1HD1      ILE  44  12.990   4.337   4.603
  289   2HD1  ILE  44          2HD1      ILE  44  11.791   5.472   5.221
  290   3HD1  ILE  44          3HD1      ILE  44  13.496   5.923   5.188
  291    H    CYS  45           H        CYS  45   9.207   3.430   4.909
  292    HA   CYS  45           HA       CYS  45   6.732   5.082   5.181
  293   1HB   CYS  45          HB2       CYS  45   5.728   3.208   6.191
  294   2HB   CYS  45          HB1       CYS  45   6.660   2.525   4.891
  295    H    ARG  46           H        ARG  46   9.772   4.723   6.566
  296    HA   ARG  46           HA       ARG  46   9.019   6.399   8.840
  297   1HB   ARG  46          HB2       ARG  46   8.824   3.747   9.349
  298   2HB   ARG  46          HB1       ARG  46  10.542   3.985   9.674
  299   1HG   ARG  46          HG2       ARG  46  10.125   5.118  11.583
  300   2HG   ARG  46          HG1       ARG  46   8.890   6.113  10.810
  301   1HD   ARG  46          HD2       ARG  46   7.357   4.074  10.945
  302   2HD   ARG  46          HD1       ARG  46   8.565   3.355  12.010
  303    HE   ARG  46           HE       ARG  46   8.202   5.508  13.422
  304   1HH1  ARG  46          1HH1      ARG  46   6.003   6.309  11.377
  305   2HH1  ARG  46          2HH1      ARG  46   4.584   5.895  12.283
  306   1HH2  ARG  46          1HH2      ARG  46   6.302   3.987  14.613
  307   2HH2  ARG  46          2HH2      ARG  46   4.753   4.580  14.111
  308    H    ILE  47           H        ILE  47  10.576   7.928   8.666
  309    HA   ILE  47           HA       ILE  47  13.176   7.258   7.497
  310    HB   ILE  47           HB       ILE  47  11.746   9.430   7.191
  311   1HG1  ILE  47          2HG1      ILE  47  14.577  10.151   7.720
  312   2HG1  ILE  47          1HG1      ILE  47  14.313   8.784   6.636
  313   1HG2  ILE  47          1HG2      ILE  47  11.983  11.135   8.761
  314   2HG2  ILE  47          2HG2      ILE  47  13.444  10.431   9.454
  315   3HG2  ILE  47          3HG2      ILE  47  11.871   9.718   9.805
  316   1HD1  ILE  47          1HD1      ILE  47  12.596  11.159   6.177
  317   2HD1  ILE  47          2HD1      ILE  47  13.352  10.075   5.011
  318   3HD1  ILE  47          3HD1      ILE  47  14.304  11.346   5.779
  319    HA   PRO  48           HA       PRO  48  15.045   6.642  11.470
  320   1HB   PRO  48          HB2       PRO  48  17.610   6.335  10.540
  321   2HB   PRO  48          HB1       PRO  48  16.371   5.072  10.419
  322   1HG   PRO  48          HG2       PRO  48  17.485   6.810   8.276
  323   2HG   PRO  48          HG1       PRO  48  16.715   5.220   8.144
  324   1HD   PRO  48          HD2       PRO  48  15.511   7.743   7.585
  325   2HD   PRO  48          HD1       PRO  48  14.688   6.171   7.664
  326    H    ARG  49           H        ARG  49  14.886   8.739  12.444
  327    HA   ARG  49           HA       ARG  49  16.870  10.784  11.600
  328   1HB   ARG  49          HB2       ARG  49  14.210  10.959  12.435
  329   2HB   ARG  49          HB1       ARG  49  15.137  11.526  13.824
  330   1HG   ARG  49          HG2       ARG  49  16.249  13.198  12.509
  331   2HG   ARG  49          HG1       ARG  49  15.628  12.516  11.006
  332   1HD   ARG  49          HD2       ARG  49  13.281  12.961  12.100
  333   2HD   ARG  49          HD1       ARG  49  14.177  14.105  13.102
  334    HE   ARG  49           HE       ARG  49  14.945  14.672  10.472
  335   1HH1  ARG  49          1HH1      ARG  49  12.840  15.782  12.745
  336   2HH1  ARG  49          2HH1      ARG  49  11.673  16.440  11.647
  337   1HH2  ARG  49          1HH2      ARG  49  13.086  14.966   8.844
  338   2HH2  ARG  49          2HH2      ARG  49  11.814  15.980   9.440
  339    H    GLY  50           H        GLY  50  18.728   9.677  12.509
  340   1HA   GLY  50          HA2       GLY  50  20.045  10.393  14.619
  341   2HA   GLY  50          HA1       GLY  50  18.756   9.567  15.493
  342    H    ASP  51           H        ASP  51  21.112   8.955  12.866
  343    HA   ASP  51           HA       ASP  51  22.171   6.941  12.251
  344   1HB   ASP  51          HB2       ASP  51  22.287   6.426  15.224
  345   2HB   ASP  51          HB1       ASP  51  23.483   6.014  13.996
  346    H    MET  52           H        MET  52  19.772   6.329  11.640
  347    HA   MET  52           HA       MET  52  19.234   3.710  12.950
  348   1HB   MET  52          HB2       MET  52  17.458   6.067  12.867
  349   2HB   MET  52          HB1       MET  52  16.699   4.562  12.350
  350   1HG   MET  52          HG2       MET  52  17.154   3.490  14.416
  351   2HG   MET  52          HG1       MET  52  18.331   4.718  14.885
  352   1HE   MET  52          HE1       MET  52  15.326   4.048  16.954
  353   2HE   MET  52          HE2       MET  52  15.559   3.164  15.448
  354   3HE   MET  52          HE3       MET  52  14.131   4.177  15.653
  355    HA   PRO  53           HA       PRO  53  18.655   2.316   8.832
  356   1HB   PRO  53          HB2       PRO  53  16.793   0.331   9.226
  357   2HB   PRO  53          HB1       PRO  53  18.496   0.183   9.696
  358   1HG   PRO  53          HG2       PRO  53  16.105   0.624  11.424
  359   2HG   PRO  53          HG1       PRO  53  17.655  -0.130  11.826
  360   1HD   PRO  53          HD2       PRO  53  16.869   2.506  12.498
  361   2HD   PRO  53          HD1       PRO  53  18.515   1.848  12.604
  362    H    ASP  54           H        ASP  54  17.292   2.656   7.025
  363    HA   ASP  54           HA       ASP  54  14.945   4.346   7.487
  364   1HB   ASP  54          HB2       ASP  54  15.833   3.215   4.829
  365   2HB   ASP  54          HB1       ASP  54  14.948   4.710   5.137
  366    H    ASP  55           H        ASP  55  12.839   3.667   7.457
  367    HA   ASP  55           HA       ASP  55  12.346   0.775   7.096
  368   1HB   ASP  55          HB2       ASP  55  11.369   2.482   8.933
  369   2HB   ASP  55          HB1       ASP  55  10.114   2.652   7.704
  370    H    ARG  56           H        ARG  56  11.855   0.084   5.076
  371    HA   ARG  56           HA       ARG  56  10.401   1.959   3.253
  372   1HB   ARG  56          HB2       ARG  56  12.002  -0.463   2.435
  373   2HB   ARG  56          HB1       ARG  56  11.438   0.860   1.418
  374   1HG   ARG  56          HG2       ARG  56  12.895   2.185   3.346
  375   2HG   ARG  56          HG1       ARG  56  13.826   0.704   3.115
  376   1HD   ARG  56          HD2       ARG  56  14.248   1.156   0.869
  377   2HD   ARG  56          HD1       ARG  56  12.836   2.201   0.710
  378    HE   ARG  56           HE       ARG  56  14.955   3.195   2.500
  379   1HH1  ARG  56          1HH1      ARG  56  13.964   2.887  -0.767
  380   2HH1  ARG  56          2HH1      ARG  56  14.431   4.495  -1.210
  381   1HH2  ARG  56          1HH2      ARG  56  15.361   5.391   2.011
  382   2HH2  ARG  56          2HH2      ARG  56  15.226   5.913   0.365
  383    H    CYS  57           H        CYS  57   8.461   1.328   2.418
  384    HA   CYS  57           HA       CYS  57   6.987  -0.787   3.614
  385   1HB   CYS  57          HB2       CYS  57   6.465   0.305   0.846
  386   2HB   CYS  57          HB1       CYS  57   5.295  -0.338   1.996
  387    H    THR  58           H        THR  58   6.368  -2.821   2.750
  388    HA   THR  58           HA       THR  58   8.485  -4.184   1.287
  389    HB   THR  58           HB       THR  58   7.460  -6.143   1.973
  390    HG1  THR  58           HG1      THR  58   5.172  -6.270   2.197
  391   1HG2  THR  58          1HG2      THR  58   6.706  -5.864   4.201
  392   2HG2  THR  58          2HG2      THR  58   5.983  -4.294   3.847
  393   3HG2  THR  58          3HG2      THR  58   7.738  -4.463   3.915
  394    H    GLY  59           H        GLY  59   6.080  -2.216   0.241
  395   1HA   GLY  59          HA2       GLY  59   5.438  -1.829  -2.014
  396   2HA   GLY  59          HA1       GLY  59   6.175  -3.367  -2.458
  397    H    GLN  60           H        GLN  60   4.505  -4.361   0.052
  398    HA   GLN  60           HA       GLN  60   1.933  -4.643  -1.449
  399   1HB   GLN  60          HB2       GLN  60   3.207  -6.761   0.306
  400   2HB   GLN  60          HB1       GLN  60   1.778  -6.941  -0.712
  401   1HG   GLN  60          HG2       GLN  60   3.022  -6.929  -2.691
  402   2HG   GLN  60          HG1       GLN  60   4.385  -6.090  -1.945
  403   1HE2  GLN  60          1HE2      GLN  60   5.072  -8.358  -3.327
  404   2HE2  GLN  60          2HE2      GLN  60   5.421  -9.638  -2.267
  405    H    SER  61           H        SER  61   3.443  -3.571   1.362
  406    HA   SER  61           HA       SER  61   1.106  -4.116   3.104
  407   1HB   SER  61          HB2       SER  61   3.562  -2.516   3.826
  408   2HB   SER  61          HB1       SER  61   2.449  -3.344   4.910
  409    HG   SER  61           HG       SER  61   3.305  -5.253   4.349
  410    H    ALA  62           H        ALA  62   0.067  -2.300   4.249
  411    HA   ALA  62           HA       ALA  62  -0.083   0.113   2.500
  412   1HB   ALA  62          HB1       ALA  62  -2.265  -0.698   2.700
  413   2HB   ALA  62          HB2       ALA  62  -2.207   0.472   4.017
  414   3HB   ALA  62          HB3       ALA  62  -2.013  -1.248   4.357
  415    H    ASP  63           H        ASP  63  -0.281  -0.714   5.980
  416    HA   ASP  63           HA       ASP  63   0.480   2.004   6.747
  417   1HB   ASP  63          HB2       ASP  63   0.192  -0.554   8.357
  418   2HB   ASP  63          HB1       ASP  63   0.509   1.033   9.059
  419    H    CYS  64           H        CYS  64   2.431   2.279   8.253
  420    HA   CYS  64           HA       CYS  64   4.776   1.211   6.887
  421   1HB   CYS  64          HB2       CYS  64   4.890   3.490   7.673
  422   2HB   CYS  64          HB1       CYS  64   4.453   3.013   9.291
  423    HA   PRO  65           HA       PRO  65   4.942  -2.259   9.671
  424   1HB   PRO  65          HB2       PRO  65   6.868  -3.537   8.202
  425   2HB   PRO  65          HB1       PRO  65   5.147  -3.630   7.826
  426   1HG   PRO  65          HG2       PRO  65   7.317  -2.132   6.447
  427   2HG   PRO  65          HG1       PRO  65   5.779  -2.727   5.800
  428   1HD   PRO  65          HD2       PRO  65   6.343  -0.062   6.527
  429   2HD   PRO  65          HD1       PRO  65   4.733  -0.740   6.217
  430    H    ARG  66           H        ARG  66   7.330  -3.525  10.220
  431    HA   ARG  66           HA       ARG  66   9.169  -1.304  11.012
  432   1HB   ARG  66          HB2       ARG  66   7.738  -3.217  12.685
  433   2HB   ARG  66          HB1       ARG  66   9.482  -3.293  12.942
  434   1HG   ARG  66          HG2       ARG  66   9.345  -1.422  14.182
  435   2HG   ARG  66          HG1       ARG  66   8.818  -0.545  12.745
  436   1HD   ARG  66          HD2       ARG  66   6.541  -0.834  13.249
  437   2HD   ARG  66          HD1       ARG  66   6.857  -2.187  14.334
  438    HE   ARG  66           HE       ARG  66   6.877  -0.537  16.008
  439   1HH1  ARG  66          1HH1      ARG  66   6.523   1.587  13.725
  440   2HH1  ARG  66          2HH1      ARG  66   7.818   2.663  14.131
  441   1HH2  ARG  66          1HH2      ARG  66   9.358   0.421  16.283
  442   2HH2  ARG  66          2HH2      ARG  66   9.425   2.002  15.578
  443    H    TYR  67           H        TYR  67  11.397  -2.222  11.616
  444    HA   TYR  67           HA       TYR  67  12.060  -4.451   9.731
  445   1HB   TYR  67          HB2       TYR  67  13.113  -1.789   9.973
  446   2HB   TYR  67          HB1       TYR  67  14.387  -2.943  10.364
  447    HD1  TYR  67           HD2      TYR  67  11.527  -3.604   8.090
  448    HD2  TYR  67           HD1      TYR  67  15.721  -2.719   8.384
  449    HE1  TYR  67           HE2      TYR  67  11.805  -4.119   5.680
  450    HE2  TYR  67           HE1      TYR  67  15.998  -3.233   5.975
  451    HH   TYR  67           HH       TYR  67  15.006  -4.171   4.171
  452    H    HIS  68           H        HIS  68  11.262  -4.943  12.425
  453    HA   HIS  68           HA       HIS  68  13.374  -6.629  13.323
  454   1HB   HIS  68          HB2       HIS  68  14.415  -4.406  13.871
  455   2HB   HIS  68          HB1       HIS  68  13.071  -4.104  14.974
  456    HD1  HIS  68           HD1      HIS  68  13.911  -7.634  14.956
  457    HD2  HIS  68           HD2      HIS  68  15.334  -4.262  16.953
  458    HE1  HIS  68           HE1      HIS  68  15.225  -8.482  16.950
  Start of MODEL   10
    1   1H    GLY   1          HT1       GLY   1  -8.253  -9.248   8.777
    2   2H    GLY   1          HT2       GLY   1  -8.894 -10.697   8.162
    3   3H    GLY   1          HT3       GLY   1  -7.972 -10.710   9.589
    4   1HA   GLY   1          HA1       GLY   1 -10.759 -10.268   9.252
    5   2HA   GLY   1          HA2       GLY   1  -9.848 -10.553  10.734
    6    H    LYS   2           H        LYS   2  -9.743  -7.917   8.314
    7    HA   LYS   2           HA       LYS   2  -9.973  -5.998  10.589
    8   1HB   LYS   2          HB2       LYS   2  -8.082  -6.115   8.603
    9   2HB   LYS   2          HB1       LYS   2  -9.224  -4.947   7.937
   10   1HG   LYS   2          HG2       LYS   2  -8.046  -3.465   9.215
   11   2HG   LYS   2          HG1       LYS   2  -9.084  -4.072  10.505
   12   1HD   LYS   2          HD2       LYS   2  -6.428  -5.345   9.811
   13   2HD   LYS   2          HD1       LYS   2  -6.587  -4.068  11.018
   14   1HE   LYS   2          HE2       LYS   2  -8.531  -5.668  11.911
   15   2HE   LYS   2          HE1       LYS   2  -7.548  -6.894  11.110
   16   1HZ   LYS   2          HZ1       LYS   2  -7.044  -6.329  13.540
   17   2HZ   LYS   2          HZ2       LYS   2  -6.321  -4.919  12.926
   18   3HZ   LYS   2          HZ3       LYS   2  -5.739  -6.448  12.462
   19    H    GLU   3           H        GLU   3 -11.579  -4.407  10.543
   20    HA   GLU   3           HA       GLU   3 -13.607  -4.702   8.361
   21   1HB   GLU   3          HB2       GLU   3 -13.929  -4.941  11.129
   22   2HB   GLU   3          HB1       GLU   3 -14.541  -3.328  10.757
   23   1HG   GLU   3          HG2       GLU   3 -16.457  -4.450  10.238
   24   2HG   GLU   3          HG1       GLU   3 -15.630  -4.754   8.710
   25    H    CYS   4           H        CYS   4 -11.305  -2.627   9.727
   26    HA   CYS   4           HA       CYS   4 -12.511  -0.313   8.260
   27   1HB   CYS   4          HB2       CYS   4 -11.132  -0.342  10.960
   28   2HB   CYS   4          HB1       CYS   4 -11.379   1.134  10.036
   29    H    ASP   5           H        ASP   5 -11.205  -0.685   6.457
   30    HA   ASP   5           HA       ASP   5  -8.358  -1.165   6.634
   31   1HB   ASP   5          HB2       ASP   5  -9.721  -1.845   4.678
   32   2HB   ASP   5          HB1       ASP   5 -10.013  -0.147   4.301
   33    H    CYS   6           H        CYS   6 -10.357   1.717   6.499
   34    HA   CYS   6           HA       CYS   6  -7.849   3.349   6.416
   35   1HB   CYS   6          HB2       CYS   6  -9.133   5.150   5.438
   36   2HB   CYS   6          HB1       CYS   6  -9.453   3.692   4.501
   37    H    SER   7           H        SER   7  -8.130   5.487   7.651
   38    HA   SER   7           HA       SER   7  -9.622   4.924  10.182
   39   1HB   SER   7          HB2       SER   7  -7.376   6.907  10.022
   40   2HB   SER   7          HB1       SER   7  -7.914   5.945  11.396
   41    HG   SER   7           HG       SER   7  -6.338   5.218   9.183
   42    H    SER   8           H        SER   8 -10.165   6.526   7.489
   43    HA   SER   8           HA       SER   8 -11.308   8.886   8.919
   44   1HB   SER   8          HB2       SER   8 -10.592   9.182   6.049
   45   2HB   SER   8          HB1       SER   8 -10.514  10.364   7.353
   46    HG   SER   8           HG       SER   8  -8.481   9.879   7.468
   47    HA   PRO   9           HA       PRO   9 -14.998   7.280   7.033
   48   1HB   PRO   9          HB2       PRO   9 -16.668   9.267   7.939
   49   2HB   PRO   9          HB1       PRO   9 -16.098   7.930   8.953
   50   1HG   PRO   9          HG2       PRO   9 -15.245  10.786   8.964
   51   2HG   PRO   9          HG1       PRO   9 -15.202   9.597  10.276
   52   1HD   PRO   9          HD2       PRO   9 -12.993  10.419   8.700
   53   2HD   PRO   9          HD1       PRO   9 -13.036   9.021   9.796
   54    H    GLU  10           H        GLU  10 -14.206  10.753   6.782
   55    HA   GLU  10           HA       GLU  10 -15.876  11.257   4.499
   56   1HB   GLU  10          HB2       GLU  10 -14.031  12.732   6.128
   57   2HB   GLU  10          HB1       GLU  10 -13.612  12.988   4.433
   58   1HG   GLU  10          HG2       GLU  10 -15.269  14.539   4.459
   59   2HG   GLU  10          HG1       GLU  10 -16.359  13.155   4.373
   60    H    ASN  11           H        ASN  11 -12.968   9.514   4.845
   61    HA   ASN  11           HA       ASN  11 -11.678  10.033   2.366
   62   1HB   ASN  11          HB2       ASN  11 -10.598   8.712   4.119
   63   2HB   ASN  11          HB1       ASN  11 -11.824   7.453   3.953
   64   1HD2  ASN  11          1HD2      ASN  11  -9.337   6.490   3.535
   65   2HD2  ASN  11          2HD2      ASN  11  -8.994   6.300   1.883
   66    HA   PRO  12           HA       PRO  12 -14.944   8.297  -0.166
   67   1HB   PRO  12          HB2       PRO  12 -13.873   9.167  -2.543
   68   2HB   PRO  12          HB1       PRO  12 -14.821  10.199  -1.461
   69   1HG   PRO  12          HG2       PRO  12 -11.878  10.181  -1.934
   70   2HG   PRO  12          HG1       PRO  12 -12.920  11.508  -1.393
   71   1HD   PRO  12          HD2       PRO  12 -11.232   9.939   0.256
   72   2HD   PRO  12          HD1       PRO  12 -12.505  11.045   0.813
   73    H    CYS  13           H        CYS  13 -11.625   7.495  -0.025
   74    HA   CYS  13           HA       CYS  13 -11.737   5.497  -2.185
   75   1HB   CYS  13          HB2       CYS  13  -9.664   6.719  -0.510
   76   2HB   CYS  13          HB1       CYS  13  -9.441   4.983  -0.725
   77    H    CYS  14           H        CYS  14 -12.544   5.641   1.136
   78    HA   CYS  14           HA       CYS  14 -12.690   2.658   1.179
   79   1HB   CYS  14          HB2       CYS  14 -11.961   2.594   3.465
   80   2HB   CYS  14          HB1       CYS  14 -10.791   3.581   2.590
   81    H    ASP  15           H        ASP  15 -14.658   1.889   1.779
   82    HA   ASP  15           HA       ASP  15 -16.944   3.522   1.963
   83   1HB   ASP  15          HB2       ASP  15 -16.698   0.919   1.700
   84   2HB   ASP  15          HB1       ASP  15 -16.808   0.920   3.462
   85    H    ALA  16           H        ALA  16 -17.525   4.937   3.534
   86    HA   ALA  16           HA       ALA  16 -16.123   5.162   6.023
   87   1HB   ALA  16          HB1       ALA  16 -17.313   7.086   6.247
   88   2HB   ALA  16          HB2       ALA  16 -18.851   6.268   5.978
   89   3HB   ALA  16          HB3       ALA  16 -17.862   6.758   4.604
   90    H    ALA  17           H        ALA  17 -19.179   3.614   5.113
   91    HA   ALA  17           HA       ALA  17 -20.040   2.990   7.777
   92   1HB   ALA  17          HB1       ALA  17 -20.610   1.747   5.079
   93   2HB   ALA  17          HB2       ALA  17 -21.660   2.786   6.042
   94   3HB   ALA  17          HB3       ALA  17 -21.336   1.134   6.566
   95    H    THR  18           H        THR  18 -18.513   0.840   5.341
   96    HA   THR  18           HA       THR  18 -17.737  -1.010   7.511
   97    HB   THR  18           HB       THR  18 -17.457  -2.604   5.874
   98    HG1  THR  18           HG1      THR  18 -16.714  -2.000   3.753
   99   1HG2  THR  18          1HG2      THR  18 -19.171  -2.427   4.271
  100   2HG2  THR  18          2HG2      THR  18 -18.954  -0.685   4.100
  101   3HG2  THR  18          3HG2      THR  18 -19.701  -1.342   5.557
  102    H    CYS  19           H        CYS  19 -16.543   1.796   6.764
  103    HA   CYS  19           HA       CYS  19 -14.389   2.747   6.443
  104   1HB   CYS  19          HB2       CYS  19 -12.834   1.674   8.302
  105   2HB   CYS  19          HB1       CYS  19 -14.178   2.712   8.734
  106    H    LYS  20           H        LYS  20 -14.783   0.457   4.650
  107    HA   LYS  20           HA       LYS  20 -11.928  -0.431   4.537
  108   1HB   LYS  20          HB2       LYS  20 -14.414  -2.033   3.898
  109   2HB   LYS  20          HB1       LYS  20 -12.777  -2.553   3.493
  110   1HG   LYS  20          HG2       LYS  20 -12.278  -3.085   5.653
  111   2HG   LYS  20          HG1       LYS  20 -13.157  -1.700   6.300
  112   1HD   LYS  20          HD2       LYS  20 -14.346  -3.680   6.991
  113   2HD   LYS  20          HD1       LYS  20 -15.301  -2.915   5.721
  114   1HE   LYS  20          HE2       LYS  20 -13.578  -4.574   4.312
  115   2HE   LYS  20          HE1       LYS  20 -13.988  -5.529   5.736
  116   1HZ   LYS  20          HZ1       LYS  20 -16.378  -4.634   5.149
  117   2HZ   LYS  20          HZ2       LYS  20 -15.748  -6.035   4.421
  118   3HZ   LYS  20          HZ3       LYS  20 -15.715  -4.553   3.589
  119    H    LEU  21           H        LEU  21 -11.117  -0.814   2.365
  120    HA   LEU  21           HA       LEU  21 -11.599   1.203   0.509
  121   1HB   LEU  21          HB2       LEU  21 -10.482  -1.570   0.277
  122   2HB   LEU  21          HB1       LEU  21 -10.760  -0.636  -1.193
  123    HG   LEU  21           HG       LEU  21  -9.480   0.970   0.874
  124   1HD1  LEU  21          1HD1      LEU  21  -8.662  -1.620   1.042
  125   2HD1  LEU  21          2HD1      LEU  21  -7.607  -0.245   1.367
  126   3HD1  LEU  21          3HD1      LEU  21  -7.578  -1.026  -0.214
  127   1HD2  LEU  21          1HD2      LEU  21  -7.845   0.552  -1.418
  128   2HD2  LEU  21          2HD2      LEU  21  -8.854   1.952  -1.054
  129   3HD2  LEU  21          3HD2      LEU  21  -9.517   0.602  -1.975
  130    H    ARG  22           H        ARG  22 -13.456   1.707  -0.530
  131    HA   ARG  22           HA       ARG  22 -15.484  -0.368  -1.010
  132   1HB   ARG  22          HB2       ARG  22 -16.238   1.816  -0.214
  133   2HB   ARG  22          HB1       ARG  22 -15.507   2.606  -1.609
  134   1HG   ARG  22          HG2       ARG  22 -17.220   0.440  -2.469
  135   2HG   ARG  22          HG1       ARG  22 -18.112   1.556  -1.435
  136   1HD   ARG  22          HD2       ARG  22 -18.171   3.108  -3.064
  137   2HD   ARG  22          HD1       ARG  22 -16.421   3.026  -3.264
  138    HE   ARG  22           HE       ARG  22 -17.436   0.737  -4.530
  139   1HH1  ARG  22          1HH1      ARG  22 -16.065   3.413  -5.573
  140   2HH1  ARG  22          2HH1      ARG  22 -17.124   3.751  -6.901
  141   1HH2  ARG  22          1HH2      ARG  22 -19.547   1.487  -5.893
  142   2HH2  ARG  22          2HH2      ARG  22 -19.093   2.660  -7.084
  143    HA   PRO  23           HA       PRO  23 -14.380   0.803  -5.515
  144   1HB   PRO  23          HB2       PRO  23 -12.060   2.213  -5.929
  145   2HB   PRO  23          HB1       PRO  23 -13.641   2.979  -5.696
  146   1HG   PRO  23          HG2       PRO  23 -11.347   2.809  -3.808
  147   2HG   PRO  23          HG1       PRO  23 -12.657   3.998  -3.877
  148   1HD   PRO  23          HD2       PRO  23 -12.454   1.812  -2.075
  149   2HD   PRO  23          HD1       PRO  23 -13.871   2.853  -2.316
  150    H    GLY  24           H        GLY  24 -11.911   0.605  -6.872
  151   1HA   GLY  24          HA2       GLY  24 -11.046  -2.082  -5.992
  152   2HA   GLY  24          HA1       GLY  24 -10.666  -1.332  -7.542
  153    H    ALA  25           H        ALA  25 -10.230   0.754  -4.878
  154    HA   ALA  25           HA       ALA  25  -7.395   0.963  -5.341
  155   1HB   ALA  25          HB1       ALA  25  -7.718   2.118  -2.896
  156   2HB   ALA  25          HB2       ALA  25  -9.377   2.168  -3.496
  157   3HB   ALA  25          HB3       ALA  25  -8.082   2.936  -4.415
  158    H    GLN  26           H        GLN  26  -5.670   0.151  -4.092
  159    HA   GLN  26           HA       GLN  26  -6.300  -2.282  -2.561
  160   1HB   GLN  26          HB2       GLN  26  -4.108  -1.360  -4.112
  161   2HB   GLN  26          HB1       GLN  26  -3.515  -1.573  -2.464
  162   1HG   GLN  26          HG2       GLN  26  -3.541  -3.808  -2.701
  163   2HG   GLN  26          HG1       GLN  26  -5.247  -3.769  -3.148
  164   1HE2  GLN  26          1HE2      GLN  26  -1.949  -3.506  -4.503
  165   2HE2  GLN  26          2HE2      GLN  26  -2.397  -3.898  -6.093
  166    H    CYS  27           H        CYS  27  -5.938   0.996  -1.871
  167    HA   CYS  27           HA       CYS  27  -5.893   0.453   1.008
  168   1HB   CYS  27          HB2       CYS  27  -3.939   2.108   1.288
  169   2HB   CYS  27          HB1       CYS  27  -3.533   0.479   0.743
  170    H    GLY  28           H        GLY  28  -6.634   2.291   2.207
  171   1HA   GLY  28          HA2       GLY  28  -7.898   4.368   0.491
  172   2HA   GLY  28          HA1       GLY  28  -8.418   3.950   2.120
  173    H    GLU  29           H        GLU  29  -5.485   3.904   2.952
  174    HA   GLU  29           HA       GLU  29  -4.532   6.612   2.566
  175   1HB   GLU  29          HB2       GLU  29  -4.915   7.400   4.863
  176   2HB   GLU  29          HB1       GLU  29  -6.441   7.058   4.054
  177   1HG   GLU  29          HG2       GLU  29  -6.951   5.369   5.473
  178   2HG   GLU  29          HG1       GLU  29  -5.305   4.735   5.449
  179    H    GLY  30           H        GLY  30  -2.689   7.061   4.199
  180   1HA   GLY  30          HA2       GLY  30  -1.245   5.681   5.887
  181   2HA   GLY  30          HA1       GLY  30  -1.163   4.521   4.558
  182    H    LEU  31           H        LEU  31   1.282   5.316   5.164
  183    HA   LEU  31           HA       LEU  31   1.885   7.737   3.566
  184   1HB   LEU  31          HB2       LEU  31   3.762   8.009   4.816
  185   2HB   LEU  31          HB1       LEU  31   2.840   7.062   5.967
  186    HG   LEU  31           HG       LEU  31   4.713   5.802   3.969
  187   1HD1  LEU  31          1HD1      LEU  31   5.210   7.226   6.535
  188   2HD1  LEU  31          2HD1      LEU  31   6.271   7.020   5.144
  189   3HD1  LEU  31          3HD1      LEU  31   6.067   5.713   6.297
  190   1HD2  LEU  31          1HD2      LEU  31   2.889   4.478   5.152
  191   2HD2  LEU  31          2HD2      LEU  31   3.708   4.852   6.663
  192   3HD2  LEU  31          3HD2      LEU  31   4.523   3.894   5.427
  193    H    CYS  32           H        CYS  32   2.072   4.295   3.487
  194    HA   CYS  32           HA       CYS  32   3.953   4.255   1.213
  195   1HB   CYS  32          HB2       CYS  32   4.059   2.363   2.729
  196   2HB   CYS  32          HB1       CYS  32   2.328   2.093   2.581
  197    H    CYS  33           H        CYS  33   0.516   4.176   1.850
  198    HA   CYS  33           HA       CYS  33  -0.297   3.226  -0.746
  199   1HB   CYS  33          HB2       CYS  33  -1.783   3.148   1.220
  200   2HB   CYS  33          HB1       CYS  33  -1.827   4.910   1.258
  201    H    GLU  34           H        GLU  34  -0.168   4.298  -2.621
  202    HA   GLU  34           HA       GLU  34  -0.238   7.289  -2.561
  203   1HB   GLU  34          HB2       GLU  34   1.410   5.383  -4.227
  204   2HB   GLU  34          HB1       GLU  34   1.084   7.027  -4.778
  205   1HG   GLU  34          HG2       GLU  34   2.116   6.573  -1.992
  206   2HG   GLU  34          HG1       GLU  34   3.239   6.550  -3.354
  207    H    GLN  35           H        GLN  35  -1.968   8.110  -3.679
  208    HA   GLN  35           HA       GLN  35  -3.816   8.179  -5.131
  209   1HB   GLN  35          HB2       GLN  35  -1.869   6.390  -6.541
  210   2HB   GLN  35          HB1       GLN  35  -3.527   6.454  -7.137
  211   1HG   GLN  35          HG2       GLN  35  -2.549   9.119  -6.552
  212   2HG   GLN  35          HG1       GLN  35  -1.477   8.292  -7.683
  213   1HE2  GLN  35          1HE2      GLN  35  -4.268  10.160  -7.560
  214   2HE2  GLN  35          2HE2      GLN  35  -4.954   9.707  -9.044
  215    H    CYS  36           H        CYS  36  -3.764   6.408  -2.812
  216    HA   CYS  36           HA       CYS  36  -5.130   4.763  -1.859
  217   1HB   CYS  36          HB2       CYS  36  -6.578   5.144  -4.493
  218   2HB   CYS  36          HB1       CYS  36  -7.164   4.086  -3.209
  219    H    LYS  37           H        LYS  37  -2.730   4.045  -3.372
  220    HA   LYS  37           HA       LYS  37  -3.445   1.206  -3.894
  221   1HB   LYS  37          HB2       LYS  37  -3.335   2.447  -6.088
  222   2HB   LYS  37          HB1       LYS  37  -1.644   2.803  -5.735
  223   1HG   LYS  37          HG2       LYS  37  -0.996   0.561  -5.908
  224   2HG   LYS  37          HG1       LYS  37  -2.632  -0.034  -5.611
  225   1HD   LYS  37          HD2       LYS  37  -1.946   1.579  -8.071
  226   2HD   LYS  37          HD1       LYS  37  -1.781  -0.177  -8.030
  227   1HE   LYS  37          HE2       LYS  37  -4.355   0.919  -7.029
  228   2HE   LYS  37          HE1       LYS  37  -4.070   1.060  -8.764
  229   1HZ   LYS  37          HZ1       LYS  37  -4.352  -1.341  -7.112
  230   2HZ   LYS  37          HZ2       LYS  37  -3.324  -1.416  -8.464
  231   3HZ   LYS  37          HZ3       LYS  37  -4.964  -1.015  -8.661
  232    H    PHE  38           H        PHE  38  -1.956  -0.173  -3.004
  233    HA   PHE  38           HA       PHE  38  -0.003   0.694  -1.176
  234   1HB   PHE  38          HB2       PHE  38  -0.168  -1.869  -2.783
  235   2HB   PHE  38          HB1       PHE  38   0.995  -1.615  -1.482
  236    HD1  PHE  38           HD2      PHE  38  -0.418  -0.226   0.584
  237    HD2  PHE  38           HD1      PHE  38  -1.867  -3.285  -2.057
  238    HE1  PHE  38           HE2      PHE  38  -2.144  -0.848   2.253
  239    HE2  PHE  38           HE1      PHE  38  -3.594  -3.908  -0.389
  240    HZ   PHE  38           HZ       PHE  38  -3.731  -2.690   1.767
  241    H    SER  39           H        SER  39   1.772   1.931  -1.629
  242    HA   SER  39           HA       SER  39   2.890   2.305  -4.212
  243   1HB   SER  39          HB2       SER  39   3.906   2.749  -1.418
  244   2HB   SER  39          HB1       SER  39   5.010   2.933  -2.776
  245    HG   SER  39           HG       SER  39   4.036   4.722  -3.287
  246    H    ARG  40           H        ARG  40   5.632   1.735  -4.026
  247    HA   ARG  40           HA       ARG  40   5.539  -1.220  -4.273
  248   1HB   ARG  40          HB2       ARG  40   7.887   0.535  -4.977
  249   2HB   ARG  40          HB1       ARG  40   7.476  -1.057  -5.614
  250   1HG   ARG  40          HG2       ARG  40   5.295   0.796  -6.061
  251   2HG   ARG  40          HG1       ARG  40   6.794   1.438  -6.733
  252   1HD   ARG  40          HD2       ARG  40   6.350   0.101  -8.510
  253   2HD   ARG  40          HD1       ARG  40   6.914  -1.212  -7.478
  254    HE   ARG  40           HE       ARG  40   4.052  -0.538  -7.243
  255   1HH1  ARG  40          1HH1      ARG  40   5.383  -3.184  -6.530
  256   2HH1  ARG  40          2HH1      ARG  40   4.840  -4.193  -7.829
  257   1HH2  ARG  40          1HH2      ARG  40   3.845  -1.539  -9.829
  258   2HH2  ARG  40          2HH2      ARG  40   3.971  -3.261  -9.697
  259    H    ALA  41           H        ALA  41   6.609  -2.536  -2.881
  260    HA   ALA  41           HA       ALA  41   7.372  -1.826  -0.312
  261   1HB   ALA  41          HB1       ALA  41   8.941  -3.949  -1.759
  262   2HB   ALA  41          HB2       ALA  41   7.215  -4.181  -1.470
  263   3HB   ALA  41          HB3       ALA  41   8.316  -3.961  -0.109
  264    H    GLY  42           H        GLY  42   9.714  -1.939   0.576
  265   1HA   GLY  42          HA2       GLY  42  11.891  -1.034   0.604
  266   2HA   GLY  42          HA1       GLY  42  11.862  -1.078  -1.163
  267    H    LYS  43           H        LYS  43   9.226   0.439   0.466
  268    HA   LYS  43           HA       LYS  43  10.145   3.071  -0.593
  269   1HB   LYS  43          HB2       LYS  43   7.878   2.256  -1.222
  270   2HB   LYS  43          HB1       LYS  43   7.429   2.264   0.483
  271   1HG   LYS  43          HG2       LYS  43   6.654   4.335  -0.495
  272   2HG   LYS  43          HG1       LYS  43   8.023   4.708   0.554
  273   1HD   LYS  43          HD2       LYS  43   9.524   4.671  -1.423
  274   2HD   LYS  43          HD1       LYS  43   8.128   4.372  -2.459
  275   1HE   LYS  43          HE2       LYS  43   7.903   6.687  -0.615
  276   2HE   LYS  43          HE1       LYS  43   9.065   6.857  -1.929
  277   1HZ   LYS  43          HZ1       LYS  43   7.448   6.704  -3.511
  278   2HZ   LYS  43          HZ2       LYS  43   6.568   7.467  -2.273
  279   3HZ   LYS  43          HZ3       LYS  43   6.399   5.797  -2.534
  280    H    ILE  44           H        ILE  44  11.200   4.332   0.841
  281    HA   ILE  44           HA       ILE  44  11.437   3.922   3.591
  282    HB   ILE  44           HB       ILE  44  11.993   6.124   1.725
  283   1HG1  ILE  44          2HG1      ILE  44  13.699   4.575   2.531
  284   2HG1  ILE  44          1HG1      ILE  44  14.063   6.200   3.117
  285   1HG2  ILE  44          1HG2      ILE  44  11.327   6.720   4.617
  286   2HG2  ILE  44          2HG2      ILE  44  10.731   7.543   3.176
  287   3HG2  ILE  44          3HG2      ILE  44  12.412   7.740   3.671
  288   1HD1  ILE  44          1HD1      ILE  44  13.289   3.786   4.629
  289   2HD1  ILE  44          2HD1      ILE  44  12.449   5.259   5.119
  290   3HD1  ILE  44          3HD1      ILE  44  14.212   5.195   5.154
  291    H    CYS  45           H        CYS  45   9.844   3.778   5.032
  292    HA   CYS  45           HA       CYS  45   7.537   5.690   4.869
  293   1HB   CYS  45          HB2       CYS  45   6.199   4.040   5.913
  294   2HB   CYS  45          HB1       CYS  45   7.058   3.193   4.657
  295    H    ARG  46           H        ARG  46  10.313   4.733   6.614
  296    HA   ARG  46           HA       ARG  46   9.816   6.758   8.661
  297   1HB   ARG  46          HB2       ARG  46   9.357   3.903   9.203
  298   2HB   ARG  46          HB1       ARG  46  10.494   4.658  10.322
  299   1HG   ARG  46          HG2       ARG  46   8.763   6.554  10.528
  300   2HG   ARG  46          HG1       ARG  46   7.633   5.439   9.758
  301   1HD   ARG  46          HD2       ARG  46   7.906   3.825  11.528
  302   2HD   ARG  46          HD1       ARG  46   9.234   4.746  12.234
  303    HE   ARG  46           HE       ARG  46   7.638   6.325  13.090
  304   1HH1  ARG  46          1HH2      ARG  46   6.222   4.197  10.798
  305   2HH1  ARG  46          2HH2      ARG  46   4.617   4.365  11.427
  306   1HH2  ARG  46          1HH1      ARG  46   5.575   6.401  14.062
  307   2HH2  ARG  46          2HH1      ARG  46   4.251   5.613  13.273
  308    H    ILE  47           H        ILE  47  11.767   7.630   9.213
  309    HA   ILE  47           HA       ILE  47  14.190   5.986   8.637
  310    HB   ILE  47           HB       ILE  47  13.691   7.897   7.010
  311   1HG1  ILE  47          2HG1      ILE  47  15.929   6.833   7.313
  312   2HG1  ILE  47          1HG1      ILE  47  16.045   8.542   6.890
  313   1HG2  ILE  47          1HG2      ILE  47  13.010   9.434   8.960
  314   2HG2  ILE  47          2HG2      ILE  47  14.039  10.136   7.712
  315   3HG2  ILE  47          3HG2      ILE  47  14.738   9.630   9.251
  316   1HD1  ILE  47          1HD1      ILE  47  17.559   8.314   8.684
  317   2HD1  ILE  47          2HD1      ILE  47  16.480   7.238   9.573
  318   3HD1  ILE  47          3HD1      ILE  47  16.104   8.957   9.447
  319    HA   PRO  48           HA       PRO  48  14.744   7.042  12.975
  320   1HB   PRO  48          HB2       PRO  48  16.633   5.096  13.422
  321   2HB   PRO  48          HB1       PRO  48  14.890   4.781  13.420
  322   1HG   PRO  48          HG2       PRO  48  16.920   4.085  11.355
  323   2HG   PRO  48          HG1       PRO  48  15.369   3.308  11.709
  324   1HD   PRO  48          HD2       PRO  48  15.890   5.104   9.573
  325   2HD   PRO  48          HD1       PRO  48  14.291   4.550  10.116
  326    H    ARG  49           H        ARG  49  16.344   8.335  13.963
  327    HA   ARG  49           HA       ARG  49  18.622   9.114  12.232
  328   1HB   ARG  49          HB2       ARG  49  17.452  10.300  14.761
  329   2HB   ARG  49          HB1       ARG  49  18.932  10.901  14.013
  330   1HG   ARG  49          HG2       ARG  49  17.824  11.748  12.168
  331   2HG   ARG  49          HG1       ARG  49  16.517  10.566  12.279
  332   1HD   ARG  49          HD2       ARG  49  16.430  12.074  14.672
  333   2HD   ARG  49          HD1       ARG  49  16.628  13.236  13.362
  334    HE   ARG  49           HE       ARG  49  14.474  12.642  12.561
  335   1HH1  ARG  49          1HH2      ARG  49  14.707   9.696  12.541
  336   2HH1  ARG  49          2HH2      ARG  49  13.607   9.214  13.790
  337   1HH2  ARG  49          1HH1      ARG  49  13.445  12.362  15.231
  338   2HH2  ARG  49          2HH1      ARG  49  12.892  10.723  15.313
  339    H    GLY  50           H        GLY  50  20.684   8.455  12.661
  340   1HA   GLY  50          HA2       GLY  50  22.377   8.135  14.536
  341   2HA   GLY  50          HA1       GLY  50  21.166   7.092  15.283
  342    H    ASP  51           H        ASP  51  21.422   4.949  14.875
  343    HA   ASP  51           HA       ASP  51  22.554   4.122  12.250
  344   1HB   ASP  51          HB2       ASP  51  24.186   4.205  14.407
  345   2HB   ASP  51          HB1       ASP  51  23.492   2.596  14.620
  346    H    MET  52           H        MET  52  19.935   3.902  12.581
  347    HA   MET  52           HA       MET  52  19.478   1.084  13.477
  348   1HB   MET  52          HB2       MET  52  18.000   3.560  13.948
  349   2HB   MET  52          HB1       MET  52  16.977   2.292  13.271
  350   1HG   MET  52          HG2       MET  52  17.490   0.789  15.043
  351   2HG   MET  52          HG1       MET  52  18.850   1.773  15.585
  352   1HE   MET  52          HE1       MET  52  14.826   1.617  17.192
  353   2HE   MET  52          HE2       MET  52  15.788   0.515  16.210
  354   3HE   MET  52          HE3       MET  52  14.750   1.704  15.427
  355    HA   PRO  53           HA       PRO  53  18.141   0.088   9.426
  356   1HB   PRO  53          HB2       PRO  53  16.017  -1.585   9.929
  357   2HB   PRO  53          HB1       PRO  53  17.710  -2.047  10.183
  358   1HG   PRO  53          HG2       PRO  53  15.633  -1.343  12.204
  359   2HG   PRO  53          HG1       PRO  53  17.063  -2.374  12.377
  360   1HD   PRO  53          HD2       PRO  53  16.828   0.298  13.285
  361   2HD   PRO  53          HD1       PRO  53  18.337  -0.630  13.148
  362    H    ASP  54           H        ASP  54  17.022   1.337   7.979
  363    HA   ASP  54           HA       ASP  54  14.799   3.001   8.831
  364   1HB   ASP  54          HB2       ASP  54  15.763   2.422   6.012
  365   2HB   ASP  54          HB1       ASP  54  14.763   3.782   6.523
  366    H    ASP  55           H        ASP  55  12.601   2.769   8.259
  367    HA   ASP  55           HA       ASP  55  11.806  -0.005   7.596
  368   1HB   ASP  55          HB2       ASP  55  10.407   2.390   8.758
  369   2HB   ASP  55          HB1       ASP  55   9.458   1.085   8.046
  370    H    ARG  56           H        ARG  56  11.062  -0.552   5.602
  371    HA   ARG  56           HA       ARG  56  10.313   1.669   3.743
  372   1HB   ARG  56          HB2       ARG  56  11.508  -0.935   2.818
  373   2HB   ARG  56          HB1       ARG  56  11.432   0.608   1.969
  374   1HG   ARG  56          HG2       ARG  56  12.821   1.160   4.343
  375   2HG   ARG  56          HG1       ARG  56  13.475  -0.376   3.774
  376   1HD   ARG  56          HD2       ARG  56  13.946   0.582   1.585
  377   2HD   ARG  56          HD1       ARG  56  13.173   2.097   2.047
  378    HE   ARG  56           HE       ARG  56  15.044   2.516   3.571
  379   1HH1  ARG  56          1HH2      ARG  56  16.427   2.080   0.970
  380   2HH1  ARG  56          2HH2      ARG  56  17.639   0.914   1.383
  381   1HH2  ARG  56          1HH1      ARG  56  16.126   0.002   4.365
  382   2HH2  ARG  56          2HH1      ARG  56  17.470  -0.262   3.304
  383    H    CYS  57           H        CYS  57   8.465   1.340   2.499
  384    HA   CYS  57           HA       CYS  57   6.409  -0.299   3.447
  385   1HB   CYS  57          HB2       CYS  57   6.218   1.536   1.683
  386   2HB   CYS  57          HB1       CYS  57   6.768   0.342   0.514
  387    H    THR  58           H        THR  58   5.591  -2.342   2.752
  388    HA   THR  58           HA       THR  58   7.702  -4.133   1.674
  389    HB   THR  58           HB       THR  58   6.618  -5.906   2.767
  390    HG1  THR  58           HG1      THR  58   4.563  -5.636   1.987
  391   1HG2  THR  58          1HG2      THR  58   5.602  -3.904   4.695
  392   2HG2  THR  58          2HG2      THR  58   7.288  -3.703   4.215
  393   3HG2  THR  58          3HG2      THR  58   6.751  -5.220   4.937
  394    H    GLY  59           H        GLY  59   5.519  -2.264   0.313
  395   1HA   GLY  59          HA2       GLY  59   4.718  -2.382  -1.923
  396   2HA   GLY  59          HA1       GLY  59   5.106  -4.101  -1.943
  397    H    GLN  60           H        GLN  60   3.567  -4.060   0.823
  398    HA   GLN  60           HA       GLN  60   0.831  -4.080  -0.383
  399   1HB   GLN  60          HB2       GLN  60   1.763  -6.086   1.675
  400   2HB   GLN  60          HB1       GLN  60   0.314  -6.149   0.671
  401   1HG   GLN  60          HG2       GLN  60   1.636  -6.487  -1.330
  402   2HG   GLN  60          HG1       GLN  60   3.134  -6.226  -0.434
  403   1HE2  GLN  60          1HE2      GLN  60   0.303  -8.147   0.641
  404   2HE2  GLN  60          2HE2      GLN  60   1.140  -9.623   0.724
  405    H    SER  61           H        SER  61   2.825  -2.849   2.026
  406    HA   SER  61           HA       SER  61   0.566  -2.535   3.945
  407   1HB   SER  61          HB2       SER  61   3.501  -1.855   4.283
  408   2HB   SER  61          HB1       SER  61   2.267  -1.775   5.539
  409    HG   SER  61           HG       SER  61   1.967  -4.025   5.265
  410    H    ALA  62           H        ALA  62  -0.639  -0.728   3.590
  411    HA   ALA  62           HA       ALA  62   0.346   1.543   2.083
  412   1HB   ALA  62          HB1       ALA  62  -2.152   0.867   3.570
  413   2HB   ALA  62          HB2       ALA  62  -1.952   1.428   1.912
  414   3HB   ALA  62          HB3       ALA  62  -1.825   2.569   3.251
  415    H    ASP  63           H        ASP  63  -0.258   0.929   5.539
  416    HA   ASP  63           HA       ASP  63   0.793   3.570   6.279
  417   1HB   ASP  63          HB2       ASP  63  -0.124   1.138   7.830
  418   2HB   ASP  63          HB1       ASP  63   0.679   2.487   8.634
  419    H    CYS  64           H        CYS  64   2.743   3.681   7.747
  420    HA   CYS  64           HA       CYS  64   4.929   2.246   6.527
  421   1HB   CYS  64          HB2       CYS  64   5.362   4.467   7.344
  422   2HB   CYS  64          HB1       CYS  64   4.772   4.062   8.932
  423    HA   PRO  65           HA       PRO  65   4.434  -1.261   9.205
  424   1HB   PRO  65          HB2       PRO  65   6.098  -2.833   7.706
  425   2HB   PRO  65          HB1       PRO  65   4.397  -2.580   7.314
  426   1HG   PRO  65          HG2       PRO  65   6.828  -1.506   5.988
  427   2HG   PRO  65          HG1       PRO  65   5.200  -1.732   5.328
  428   1HD   PRO  65          HD2       PRO  65   6.336   0.715   6.195
  429   2HD   PRO  65          HD1       PRO  65   4.636   0.428   5.787
  430    H    ARG  66           H        ARG  66   5.824  -2.211  10.777
  431    HA   ARG  66           HA       ARG  66   8.395  -0.799  11.161
  432   1HB   ARG  66          HB2       ARG  66   6.736  -2.633  12.903
  433   2HB   ARG  66          HB1       ARG  66   8.357  -2.112  13.362
  434   1HG   ARG  66          HG2       ARG  66   7.595   0.271  13.053
  435   2HG   ARG  66          HG1       ARG  66   5.957  -0.342  12.828
  436   1HD   ARG  66          HD2       ARG  66   6.092  -1.435  15.062
  437   2HD   ARG  66          HD1       ARG  66   7.688  -0.719  15.289
  438    HE   ARG  66           HE       ARG  66   5.988   1.423  14.683
  439   1HH1  ARG  66          1HH1      ARG  66   5.122  -1.164  16.648
  440   2HH1  ARG  66          2HH1      ARG  66   4.862  -0.217  18.076
  441   1HH2  ARG  66          1HH2      ARG  66   6.128   2.700  16.694
  442   2HH2  ARG  66          2HH2      ARG  66   5.430   1.970  18.102
  443    H    TYR  67           H        TYR  67  10.348  -2.083  11.689
  444    HA   TYR  67           HA       TYR  67  10.352  -4.677  10.199
  445   1HB   TYR  67          HB2       TYR  67  11.739  -2.693   9.320
  446   2HB   TYR  67          HB1       TYR  67  12.779  -2.955  10.721
  447    HD1  TYR  67           HD2      TYR  67  11.038  -5.105   8.175
  448    HD2  TYR  67           HD1      TYR  67  14.668  -4.235  10.300
  449    HE1  TYR  67           HE2      TYR  67  12.178  -6.960   6.988
  450    HE2  TYR  67           HE1      TYR  67  15.808  -6.090   9.113
  451    HH   TYR  67           HH       TYR  67  14.518  -7.586   6.377
  452    H    HIS  68           H        HIS  68  10.966  -3.127  13.228
  453    HA   HIS  68           HA       HIS  68  11.199  -5.553  14.672
  454   1HB   HIS  68          HB2       HIS  68  13.524  -5.100  13.251
  455   2HB   HIS  68          HB1       HIS  68  13.900  -4.406  14.828
  456    HD1  HIS  68           HD1      HIS  68  15.325  -6.984  13.997
  457    HD2  HIS  68           HD2      HIS  68  11.735  -6.949  16.114
  458    HE1  HIS  68           HE1      HIS  68  15.170  -9.218  15.176
  Start of MODEL   11
    1   1H    GLY   1          HT1       GLY   1 -15.693 -13.124  10.034
    2   2H    GLY   1          HT2       GLY   1 -16.244 -12.516   8.546
    3   3H    GLY   1          HT3       GLY   1 -16.318 -11.551   9.943
    4   1HA   GLY   1          HA1       GLY   1 -13.695 -12.183   9.837
    5   2HA   GLY   1          HA2       GLY   1 -14.127 -12.008   8.136
    6    H    LYS   2           H        LYS   2 -12.507 -10.096   8.719
    7    HA   LYS   2           HA       LYS   2 -13.709  -7.810  10.067
    8   1HB   LYS   2          HB2       LYS   2 -11.190  -8.278   8.489
    9   2HB   LYS   2          HB1       LYS   2 -11.693  -6.634   8.880
   10   1HG   LYS   2          HG2       LYS   2 -10.989  -6.861  11.008
   11   2HG   LYS   2          HG1       LYS   2 -11.929  -8.340  11.208
   12   1HD   LYS   2          HD2       LYS   2 -10.078  -9.541   9.932
   13   2HD   LYS   2          HD1       LYS   2  -9.123  -8.069  10.109
   14   1HE   LYS   2          HE2       LYS   2  -8.465  -9.302  11.985
   15   2HE   LYS   2          HE1       LYS   2  -9.747  -8.288  12.646
   16   1HZ   LYS   2          HZ1       LYS   2 -10.685 -10.748  11.485
   17   2HZ   LYS   2          HZ2       LYS   2 -11.062 -10.041  12.983
   18   3HZ   LYS   2          HZ3       LYS   2  -9.656 -10.980  12.812
   19    H    GLU   3           H        GLU   3 -14.891  -6.179   9.132
   20    HA   GLU   3           HA       GLU   3 -15.250  -6.300   6.161
   21   1HB   GLU   3          HB2       GLU   3 -17.191  -6.641   8.084
   22   2HB   GLU   3          HB1       GLU   3 -17.331  -4.919   7.724
   23   1HG   GLU   3          HG2       GLU   3 -17.022  -6.134   5.221
   24   2HG   GLU   3          HG1       GLU   3 -18.114  -7.203   6.102
   25    H    CYS   4           H        CYS   4 -13.319  -4.715   7.922
   26    HA   CYS   4           HA       CYS   4 -14.025  -2.066   6.751
   27   1HB   CYS   4          HB2       CYS   4 -14.528  -2.035   9.184
   28   2HB   CYS   4          HB1       CYS   4 -12.859  -2.495   9.520
   29    H    ASP   5           H        ASP   5 -12.319  -1.076   5.729
   30    HA   ASP   5           HA       ASP   5  -9.653  -2.413   5.983
   31   1HB   ASP   5          HB2       ASP   5 -10.880  -2.513   3.735
   32   2HB   ASP   5          HB1       ASP   5 -10.596  -0.777   3.620
   33    H    CYS   6           H        CYS   6 -11.415   0.559   6.240
   34    HA   CYS   6           HA       CYS   6  -8.833   2.003   6.711
   35   1HB   CYS   6          HB2       CYS   6  -9.882   4.038   5.973
   36   2HB   CYS   6          HB1       CYS   6 -10.224   2.814   4.751
   37    H    SER   7           H        SER   7  -8.590   2.865   8.746
   38    HA   SER   7           HA       SER   7 -10.724   2.362  10.707
   39   1HB   SER   7          HB2       SER   7  -8.256   1.970  11.160
   40   2HB   SER   7          HB1       SER   7  -8.057   3.719  11.173
   41    HG   SER   7           HG       SER   7  -8.434   2.941  13.266
   42    H    SER   8           H        SER   8 -10.477   4.681   8.509
   43    HA   SER   8           HA       SER   8 -11.335   6.829  10.403
   44   1HB   SER   8          HB2       SER   8 -10.581   7.741   7.732
   45   2HB   SER   8          HB1       SER   8 -10.041   8.319   9.305
   46    HG   SER   8           HG       SER   8  -8.520   6.711   9.357
   47    HA   PRO   9           HA       PRO   9 -15.172   6.303   8.194
   48   1HB   PRO   9          HB2       PRO   9 -16.565   8.178   9.647
   49   2HB   PRO   9          HB1       PRO   9 -16.233   6.538  10.230
   50   1HG   PRO   9          HG2       PRO   9 -14.973   9.110  11.053
   51   2HG   PRO   9          HG1       PRO   9 -15.152   7.605  11.969
   52   1HD   PRO   9          HD2       PRO   9 -12.791   8.498  10.680
   53   2HD   PRO   9          HD1       PRO   9 -13.080   6.868  11.324
   54    H    GLU  10           H        GLU  10 -13.509   9.365   8.709
   55    HA   GLU  10           HA       GLU  10 -15.105  10.740   6.642
   56   1HB   GLU  10          HB2       GLU  10 -12.754  11.582   8.358
   57   2HB   GLU  10          HB1       GLU  10 -13.453  12.617   7.112
   58   1HG   GLU  10          HG2       GLU  10 -15.701  12.270   8.261
   59   2HG   GLU  10          HG1       GLU  10 -14.805  11.548   9.597
   60    H    ASN  11           H        ASN  11 -13.939   8.522   5.548
   61    HA   ASN  11           HA       ASN  11 -11.771   9.699   3.865
   62   1HB   ASN  11          HB2       ASN  11 -10.791   8.070   5.420
   63   2HB   ASN  11          HB1       ASN  11 -11.963   6.856   4.905
   64   1HD2  ASN  11          1HD2      ASN  11  -9.954   5.584   4.266
   65   2HD2  ASN  11          2HD2      ASN  11  -9.244   5.904   2.759
   66    HA   PRO  12           HA       PRO  12 -14.805   8.466   0.816
   67   1HB   PRO  12          HB2       PRO  12 -13.486   9.595  -1.316
   68   2HB   PRO  12          HB1       PRO  12 -14.493  10.516  -0.187
   69   1HG   PRO  12          HG2       PRO  12 -11.519  10.407  -0.388
   70   2HG   PRO  12          HG1       PRO  12 -12.556  11.709   0.220
   71   1HD   PRO  12          HD2       PRO  12 -11.105   9.881   1.812
   72   2HD   PRO  12          HD1       PRO  12 -12.411  10.943   2.377
   73    H    CYS  13           H        CYS  13 -11.365   7.781   0.776
   74    HA   CYS  13           HA       CYS  13 -11.306   6.054  -1.507
   75   1HB   CYS  13          HB2       CYS  13  -9.338   7.008  -0.065
   76   2HB   CYS  13          HB1       CYS  13  -9.595   5.569   0.918
   77    H    CYS  14           H        CYS  14 -12.628   5.660   1.657
   78    HA   CYS  14           HA       CYS  14 -13.150   2.791   1.017
   79   1HB   CYS  14          HB2       CYS  14 -12.806   2.171   3.317
   80   2HB   CYS  14          HB1       CYS  14 -11.392   3.096   2.813
   81    H    ASP  15           H        ASP  15 -15.257   2.264   1.097
   82    HA   ASP  15           HA       ASP  15 -17.292   4.209   1.553
   83   1HB   ASP  15          HB2       ASP  15 -17.307   1.835   0.346
   84   2HB   ASP  15          HB1       ASP  15 -17.869   1.297   1.927
   85    H    ALA  16           H        ALA  16 -17.869   5.054   3.497
   86    HA   ALA  16           HA       ALA  16 -16.978   3.960   6.005
   87   1HB   ALA  16          HB1       ALA  16 -19.328   5.828   5.777
   88   2HB   ALA  16          HB2       ALA  16 -17.704   6.400   5.393
   89   3HB   ALA  16          HB3       ALA  16 -18.065   5.784   7.006
   90    H    ALA  17           H        ALA  17 -20.027   3.770   4.210
   91    HA   ALA  17           HA       ALA  17 -21.688   2.620   6.157
   92   1HB   ALA  17          HB1       ALA  17 -21.699   1.516   3.364
   93   2HB   ALA  17          HB2       ALA  17 -22.112   3.211   3.622
   94   3HB   ALA  17          HB3       ALA  17 -23.063   1.944   4.398
   95    H    THR  18           H        THR  18 -19.332   0.997   4.020
   96    HA   THR  18           HA       THR  18 -19.735  -1.510   5.573
   97    HB   THR  18           HB       THR  18 -18.711  -2.659   3.770
   98    HG1  THR  18           HG1      THR  18 -17.630  -0.128   3.225
   99   1HG2  THR  18          1HG2      THR  18 -19.765  -0.754   1.879
  100   2HG2  THR  18          2HG2      THR  18 -20.823  -0.847   3.286
  101   3HG2  THR  18          3HG2      THR  18 -20.436  -2.307   2.375
  102    H    CYS  19           H        CYS  19 -17.555   1.129   5.174
  103    HA   CYS  19           HA       CYS  19 -15.655   1.660   6.470
  104   1HB   CYS  19          HB2       CYS  19 -16.864  -0.045   8.113
  105   2HB   CYS  19          HB1       CYS  19 -15.543  -1.102   7.621
  106    H    LYS  20           H        LYS  20 -15.861  -0.158   3.902
  107    HA   LYS  20           HA       LYS  20 -12.994  -1.031   3.992
  108   1HB   LYS  20          HB2       LYS  20 -15.319  -2.207   2.442
  109   2HB   LYS  20          HB1       LYS  20 -13.635  -2.681   2.210
  110   1HG   LYS  20          HG2       LYS  20 -14.493  -2.700   5.025
  111   2HG   LYS  20          HG1       LYS  20 -15.358  -3.855   4.009
  112   1HD   LYS  20          HD2       LYS  20 -12.507  -3.834   3.412
  113   2HD   LYS  20          HD1       LYS  20 -12.812  -4.208   5.109
  114   1HE   LYS  20          HE2       LYS  20 -13.159  -6.326   4.357
  115   2HE   LYS  20          HE1       LYS  20 -14.739  -5.713   3.871
  116   1HZ   LYS  20          HZ1       LYS  20 -13.575  -5.027   1.735
  117   2HZ   LYS  20          HZ2       LYS  20 -13.868  -6.685   1.960
  118   3HZ   LYS  20          HZ3       LYS  20 -12.313  -6.050   2.218
  119    H    LEU  21           H        LEU  21 -12.328  -1.326   1.448
  120    HA   LEU  21           HA       LEU  21 -12.201   1.373   0.427
  121   1HB   LEU  21          HB2       LEU  21 -11.267  -1.316  -0.526
  122   2HB   LEU  21          HB1       LEU  21 -11.246   0.052  -1.638
  123    HG   LEU  21           HG       LEU  21 -10.177   0.752   0.986
  124   1HD1  LEU  21          1HD1      LEU  21  -9.531  -1.704   0.779
  125   2HD1  LEU  21          2HD1      LEU  21  -8.184  -0.578   0.941
  126   3HD1  LEU  21          3HD1      LEU  21  -8.590  -1.247  -0.640
  127   1HD2  LEU  21          1HD2      LEU  21  -8.236   0.997  -1.035
  128   2HD2  LEU  21          2HD2      LEU  21  -9.311   2.264  -0.446
  129   3HD2  LEU  21          3HD2      LEU  21  -9.779   1.286  -1.838
  130    H    ARG  22           H        ARG  22 -13.796   2.365  -0.718
  131    HA   ARG  22           HA       ARG  22 -16.056   0.853  -1.752
  132   1HB   ARG  22          HB2       ARG  22 -15.650   3.491  -0.997
  133   2HB   ARG  22          HB1       ARG  22 -15.801   3.591  -2.753
  134   1HG   ARG  22          HG2       ARG  22 -17.757   1.761  -1.604
  135   2HG   ARG  22          HG1       ARG  22 -17.908   3.386  -0.933
  136   1HD   ARG  22          HD2       ARG  22 -17.986   4.323  -3.216
  137   2HD   ARG  22          HD1       ARG  22 -17.837   2.698  -3.888
  138    HE   ARG  22           HE       ARG  22 -20.118   2.338  -3.381
  139   1HH1  ARG  22          1HH2      ARG  22 -19.696   5.552  -3.245
  140   2HH1  ARG  22          2HH2      ARG  22 -20.854   5.884  -2.000
  141   1HH2  ARG  22          1HH1      ARG  22 -21.259   2.556  -1.119
  142   2HH2  ARG  22          2HH1      ARG  22 -21.738   4.188  -0.797
  143    HA   PRO  23           HA       PRO  23 -14.176   2.049  -5.969
  144   1HB   PRO  23          HB2       PRO  23 -11.713   3.268  -5.971
  145   2HB   PRO  23          HB1       PRO  23 -13.244   4.157  -5.898
  146   1HG   PRO  23          HG2       PRO  23 -11.260   3.661  -3.731
  147   2HG   PRO  23          HG1       PRO  23 -12.430   4.979  -3.902
  148   1HD   PRO  23          HD2       PRO  23 -12.703   2.709  -2.224
  149   2HD   PRO  23          HD1       PRO  23 -13.978   3.878  -2.621
  150    H    GLY  24           H        GLY  24 -11.667   1.617  -7.077
  151   1HA   GLY  24          HA2       GLY  24 -11.089  -1.131  -6.143
  152   2HA   GLY  24          HA1       GLY  24 -10.539  -0.420  -7.660
  153    H    ALA  25           H        ALA  25 -10.203   1.481  -4.800
  154    HA   ALA  25           HA       ALA  25  -7.346   1.674  -5.107
  155   1HB   ALA  25          HB1       ALA  25  -7.992   3.559  -4.016
  156   2HB   ALA  25          HB2       ALA  25  -7.842   2.576  -2.559
  157   3HB   ALA  25          HB3       ALA  25  -9.417   2.779  -3.328
  158    H    GLN  26           H        GLN  26  -5.709   0.882  -3.649
  159    HA   GLN  26           HA       GLN  26  -6.262  -1.798  -2.645
  160   1HB   GLN  26          HB2       GLN  26  -3.802  -0.032  -2.577
  161   2HB   GLN  26          HB1       GLN  26  -3.838  -1.667  -1.915
  162   1HG   GLN  26          HG2       GLN  26  -4.897  -1.375  -4.667
  163   2HG   GLN  26          HG1       GLN  26  -3.162  -1.121  -4.486
  164   1HE2  GLN  26          1HE2      GLN  26  -1.876  -2.982  -4.323
  165   2HE2  GLN  26          2HE2      GLN  26  -2.480  -4.547  -4.066
  166    H    CYS  27           H        CYS  27  -5.310   1.309  -1.133
  167    HA   CYS  27           HA       CYS  27  -6.567   0.299   1.368
  168   1HB   CYS  27          HB2       CYS  27  -4.672   0.498   2.597
  169   2HB   CYS  27          HB1       CYS  27  -3.832   0.492   1.055
  170    H    GLY  28           H        GLY  28  -7.412   1.995   2.748
  171   1HA   GLY  28          HA2       GLY  28  -8.197   4.379   1.194
  172   2HA   GLY  28          HA1       GLY  28  -8.936   3.848   2.699
  173    H    GLU  29           H        GLU  29  -5.829   3.521   3.452
  174    HA   GLU  29           HA       GLU  29  -4.979   6.283   3.699
  175   1HB   GLU  29          HB2       GLU  29  -5.294   6.551   6.078
  176   2HB   GLU  29          HB1       GLU  29  -6.851   6.150   5.364
  177   1HG   GLU  29          HG2       GLU  29  -6.649   3.842   6.056
  178   2HG   GLU  29          HG1       GLU  29  -4.994   4.104   6.607
  179    H    GLY  30           H        GLY  30  -2.889   6.455   4.726
  180   1HA   GLY  30          HA2       GLY  30  -1.349   4.777   6.163
  181   2HA   GLY  30          HA1       GLY  30  -1.366   3.924   4.620
  182    H    LEU  31           H        LEU  31   1.101   4.638   5.247
  183    HA   LEU  31           HA       LEU  31   1.600   7.297   3.985
  184   1HB   LEU  31          HB2       LEU  31   4.053   6.515   4.839
  185   2HB   LEU  31          HB1       LEU  31   2.939   7.456   5.828
  186    HG   LEU  31           HG       LEU  31   2.006   5.264   6.679
  187   1HD1  LEU  31          1HD1      LEU  31   2.631   3.433   5.512
  188   2HD1  LEU  31          2HD1      LEU  31   4.214   3.591   6.260
  189   3HD1  LEU  31          3HD1      LEU  31   3.912   4.318   4.691
  190   1HD2  LEU  31          1HD2      LEU  31   4.955   5.766   7.179
  191   2HD2  LEU  31          2HD2      LEU  31   3.833   4.949   8.268
  192   3HD2  LEU  31          3HD2      LEU  31   3.639   6.665   7.931
  193    H    CYS  32           H        CYS  32   2.122   3.867   3.777
  194    HA   CYS  32           HA       CYS  32   3.840   4.097   1.392
  195   1HB   CYS  32          HB2       CYS  32   2.572   1.688   2.735
  196   2HB   CYS  32          HB1       CYS  32   3.728   1.615   1.405
  197    H    CYS  33           H        CYS  33   0.784   4.847   1.772
  198    HA   CYS  33           HA       CYS  33  -0.288   3.275  -0.511
  199   1HB   CYS  33          HB2       CYS  33  -1.530   4.935   1.672
  200   2HB   CYS  33          HB1       CYS  33  -2.440   4.555   0.213
  201    H    GLU  34           H        GLU  34   0.489   4.286  -2.357
  202    HA   GLU  34           HA       GLU  34   0.362   7.242  -2.541
  203   1HB   GLU  34          HB2       GLU  34   1.821   5.082  -3.934
  204   2HB   GLU  34          HB1       GLU  34   1.230   6.362  -4.996
  205   1HG   GLU  34          HG2       GLU  34   2.232   7.802  -2.876
  206   2HG   GLU  34          HG1       GLU  34   3.359   6.449  -2.965
  207    H    GLN  35           H        GLN  35  -1.536   8.091  -3.258
  208    HA   GLN  35           HA       GLN  35  -3.545   8.295  -4.455
  209   1HB   GLN  35          HB2       GLN  35  -1.685   6.924  -6.232
  210   2HB   GLN  35          HB1       GLN  35  -3.350   6.421  -6.524
  211   1HG   GLN  35          HG2       GLN  35  -3.631   8.326  -7.695
  212   2HG   GLN  35          HG1       GLN  35  -3.489   9.201  -6.170
  213   1HE2  GLN  35          1HE2      GLN  35  -2.369  10.979  -7.324
  214   2HE2  GLN  35          2HE2      GLN  35  -0.746  10.809  -7.788
  215    H    CYS  36           H        CYS  36  -3.271   6.403  -2.283
  216    HA   CYS  36           HA       CYS  36  -4.560   4.731  -1.270
  217   1HB   CYS  36          HB2       CYS  36  -6.227   5.589  -3.583
  218   2HB   CYS  36          HB1       CYS  36  -6.621   4.042  -2.846
  219    H    LYS  37           H        LYS  37  -2.294   4.014  -2.845
  220    HA   LYS  37           HA       LYS  37  -3.151   1.296  -3.731
  221   1HB   LYS  37          HB2       LYS  37  -2.667   2.838  -5.682
  222   2HB   LYS  37          HB1       LYS  37  -1.002   2.935  -5.103
  223   1HG   LYS  37          HG2       LYS  37  -0.498   0.864  -5.874
  224   2HG   LYS  37          HG1       LYS  37  -2.016   0.183  -5.285
  225   1HD   LYS  37          HD2       LYS  37  -2.770   1.887  -7.375
  226   2HD   LYS  37          HD1       LYS  37  -1.322   1.072  -7.964
  227   1HE   LYS  37          HE2       LYS  37  -3.439  -0.547  -6.588
  228   2HE   LYS  37          HE1       LYS  37  -3.691  -0.058  -8.263
  229   1HZ   LYS  37          HZ1       LYS  37  -2.440  -1.797  -8.800
  230   2HZ   LYS  37          HZ2       LYS  37  -1.932  -2.042  -7.198
  231   3HZ   LYS  37          HZ3       LYS  37  -1.110  -0.939  -8.195
  232    H    PHE  38           H        PHE  38  -1.903  -0.316  -2.865
  233    HA   PHE  38           HA       PHE  38  -0.110   0.138  -0.736
  234   1HB   PHE  38          HB2       PHE  38  -0.633  -2.178  -2.565
  235   2HB   PHE  38          HB1       PHE  38   0.761  -2.247  -1.491
  236    HD1  PHE  38           HD1      PHE  38   0.053  -1.105   0.973
  237    HD2  PHE  38           HD2      PHE  38  -2.473  -3.315  -1.708
  238    HE1  PHE  38           HE1      PHE  38  -1.430  -1.706   2.866
  239    HE2  PHE  38           HE2      PHE  38  -3.958  -3.915   0.186
  240    HZ   PHE  38           HZ       PHE  38  -3.437  -3.111   2.473
  241    H    SER  39           H        SER  39   1.604   1.561  -1.130
  242    HA   SER  39           HA       SER  39   3.119   1.866  -3.451
  243   1HB   SER  39          HB2       SER  39   3.944   2.022  -0.546
  244   2HB   SER  39          HB1       SER  39   5.057   2.411  -1.856
  245    HG   SER  39           HG       SER  39   2.481   3.563  -1.554
  246    H    ARG  40           H        ARG  40   5.364   0.996  -3.901
  247    HA   ARG  40           HA       ARG  40   5.302  -1.922  -3.701
  248   1HB   ARG  40          HB2       ARG  40   7.228   0.043  -4.964
  249   2HB   ARG  40          HB1       ARG  40   7.520  -1.696  -4.958
  250   1HG   ARG  40          HG2       ARG  40   6.167  -1.920  -6.740
  251   2HG   ARG  40          HG1       ARG  40   4.825  -1.283  -5.788
  252   1HD   ARG  40          HD2       ARG  40   5.400   0.994  -6.395
  253   2HD   ARG  40          HD1       ARG  40   6.863   0.447  -7.214
  254    HE   ARG  40           HE       ARG  40   5.389   0.343  -9.064
  255   1HH1  ARG  40          1HH2      ARG  40   3.302   0.176  -6.493
  256   2HH1  ARG  40          2HH2      ARG  40   2.236  -1.002  -7.181
  257   1HH2  ARG  40          1HH1      ARG  40   4.325  -1.717  -9.856
  258   2HH2  ARG  40          2HH1      ARG  40   2.816  -2.077  -9.084
  259    H    ALA  41           H        ALA  41   6.946  -3.200  -2.665
  260    HA   ALA  41           HA       ALA  41   7.730  -2.358  -0.083
  261   1HB   ALA  41          HB1       ALA  41   8.756  -4.418   0.103
  262   2HB   ALA  41          HB2       ALA  41   9.477  -4.321  -1.503
  263   3HB   ALA  41          HB3       ALA  41   7.773  -4.740  -1.325
  264    H    GLY  42           H        GLY  42  10.086  -2.160   0.644
  265   1HA   GLY  42          HA2       GLY  42  12.163  -1.059   0.501
  266   2HA   GLY  42          HA1       GLY  42  12.040  -1.190  -1.256
  267    H    LYS  43           H        LYS  43   9.388   0.193   0.483
  268    HA   LYS  43           HA       LYS  43  10.071   2.845  -0.714
  269   1HB   LYS  43          HB2       LYS  43   7.924   2.213  -1.442
  270   2HB   LYS  43          HB1       LYS  43   7.492   1.527   0.120
  271   1HG   LYS  43          HG2       LYS  43   6.312   3.626  -0.118
  272   2HG   LYS  43          HG1       LYS  43   7.583   3.861   1.081
  273   1HD   LYS  43          HD2       LYS  43   8.441   5.524  -0.165
  274   2HD   LYS  43          HD1       LYS  43   8.708   4.387  -1.486
  275   1HE   LYS  43          HE2       LYS  43   7.039   5.319  -2.670
  276   2HE   LYS  43          HE1       LYS  43   5.909   5.032  -1.347
  277   1HZ   LYS  43          HZ1       LYS  43   7.245   7.451  -2.115
  278   2HZ   LYS  43          HZ2       LYS  43   7.408   7.110  -0.459
  279   3HZ   LYS  43          HZ3       LYS  43   5.863   7.236  -1.156
  280    H    ILE  44           H        ILE  44  11.039   4.221   0.676
  281    HA   ILE  44           HA       ILE  44  11.356   3.906   3.429
  282    HB   ILE  44           HB       ILE  44  12.645   5.540   2.162
  283   1HG1  ILE  44          2HG1      ILE  44  12.435   7.479   3.721
  284   2HG1  ILE  44          1HG1      ILE  44  10.921   6.800   4.320
  285   1HG2  ILE  44          1HG2      ILE  44  10.331   7.436   2.103
  286   2HG2  ILE  44          2HG2      ILE  44  10.413   6.182   0.866
  287   3HG2  ILE  44          3HG2      ILE  44  11.730   7.342   1.033
  288   1HD1  ILE  44          1HD1      ILE  44  13.468   5.182   4.319
  289   2HD1  ILE  44          2HD1      ILE  44  12.002   4.920   5.264
  290   3HD1  ILE  44          3HD1      ILE  44  13.071   6.266   5.653
  291    H    CYS  45           H        CYS  45   9.682   3.552   4.818
  292    HA   CYS  45           HA       CYS  45   7.274   5.319   4.625
  293   1HB   CYS  45          HB2       CYS  45   6.095   3.634   5.874
  294   2HB   CYS  45          HB1       CYS  45   6.940   2.828   4.577
  295    H    ARG  46           H        ARG  46  10.152   4.980   6.317
  296    HA   ARG  46           HA       ARG  46   9.310   6.937   8.319
  297   1HB   ARG  46          HB2       ARG  46   9.466   4.089   8.982
  298   2HB   ARG  46          HB1       ARG  46  10.520   5.077   9.987
  299   1HG   ARG  46          HG2       ARG  46   8.390   6.640  10.140
  300   2HG   ARG  46          HG1       ARG  46   7.533   5.152   9.740
  301   1HD   ARG  46          HD2       ARG  46   9.129   4.158  11.634
  302   2HD   ARG  46          HD1       ARG  46   9.109   5.833  12.184
  303    HE   ARG  46           HE       ARG  46   6.912   3.968  12.395
  304   1HH1  ARG  46          1HH2      ARG  46   7.656   6.612  13.909
  305   2HH1  ARG  46          2HH2      ARG  46   6.223   7.533  13.600
  306   1HH2  ARG  46          1HH1      ARG  46   5.092   5.425  11.088
  307   2HH2  ARG  46          2HH1      ARG  46   4.770   6.862  12.002
  308    H    ILE  47           H        ILE  47  11.067   8.113   9.023
  309    HA   ILE  47           HA       ILE  47  13.686   7.315   7.861
  310    HB   ILE  47           HB       ILE  47  12.258   9.789   8.055
  311   1HG1  ILE  47          2HG1      ILE  47  14.932   8.933   6.937
  312   2HG1  ILE  47          1HG1      ILE  47  13.412   9.138   6.070
  313   1HG2  ILE  47          1HG2      ILE  47  15.020   9.996   9.266
  314   2HG2  ILE  47          2HG2      ILE  47  13.550   9.994  10.239
  315   3HG2  ILE  47          3HG2      ILE  47  13.827  11.280   9.067
  316   1HD1  ILE  47          1HD1      ILE  47  15.416  11.147   6.837
  317   2HD1  ILE  47          2HD1      ILE  47  13.760  11.614   7.224
  318   3HD1  ILE  47          3HD1      ILE  47  14.196  11.204   5.566
  319    HA   PRO  48           HA       PRO  48  15.228   6.393  11.858
  320   1HB   PRO  48          HB2       PRO  48  17.906   6.775  11.378
  321   2HB   PRO  48          HB1       PRO  48  16.994   5.373  10.796
  322   1HG   PRO  48          HG2       PRO  48  17.968   7.743   9.270
  323   2HG   PRO  48          HG1       PRO  48  17.646   6.097   8.700
  324   1HD   PRO  48          HD2       PRO  48  15.954   8.336   8.345
  325   2HD   PRO  48          HD1       PRO  48  15.502   6.638   8.084
  326    H    ARG  49           H        ARG  49  14.723   7.912  13.417
  327    HA   ARG  49           HA       ARG  49  15.836  10.631  13.282
  328   1HB   ARG  49          HB2       ARG  49  13.879   9.193  15.049
  329   2HB   ARG  49          HB1       ARG  49  14.620  10.689  15.620
  330   1HG   ARG  49          HG2       ARG  49  12.662  11.423  14.524
  331   2HG   ARG  49          HG1       ARG  49  13.932  11.668  13.324
  332   1HD   ARG  49          HD2       ARG  49  12.067  10.583  12.226
  333   2HD   ARG  49          HD1       ARG  49  13.373   9.409  12.370
  334    HE   ARG  49           HE       ARG  49  11.800   8.120  13.544
  335   1HH1  ARG  49          1HH2      ARG  49  10.116  10.888  13.239
  336   2HH1  ARG  49          2HH2      ARG  49   9.433  10.914  14.829
  337   1HH2  ARG  49          1HH1      ARG  49  11.487   8.395  16.038
  338   2HH2  ARG  49          2HH1      ARG  49  10.209   9.504  16.416
  339    H    GLY  50           H        GLY  50  17.944  10.835  13.892
  340   1HA   GLY  50          HA2       GLY  50  19.529  10.992  15.739
  341   2HA   GLY  50          HA1       GLY  50  18.751   9.591  16.476
  342    H    ASP  51           H        ASP  51  19.644   7.604  16.075
  343    HA   ASP  51           HA       ASP  51  21.444   7.318  13.719
  344   1HB   ASP  51          HB2       ASP  51  22.195   6.222  16.433
  345   2HB   ASP  51          HB1       ASP  51  23.218   6.406  15.007
  346    H    MET  52           H        MET  52  19.367   6.187  13.060
  347    HA   MET  52           HA       MET  52  19.549   3.332  13.862
  348   1HB   MET  52          HB2       MET  52  17.263   3.132  14.384
  349   2HB   MET  52          HB1       MET  52  17.679   4.686  15.093
  350   1HG   MET  52          HG2       MET  52  16.767   5.874  13.189
  351   2HG   MET  52          HG1       MET  52  16.501   4.363  12.320
  352   1HE   MET  52          HE1       MET  52  15.893   5.939  15.839
  353   2HE   MET  52          HE2       MET  52  16.130   4.210  16.075
  354   3HE   MET  52          HE3       MET  52  14.564   4.934  16.431
  355    HA   PRO  53           HA       PRO  53  18.928   2.640   9.569
  356   1HB   PRO  53          HB2       PRO  53  17.437   0.332   9.563
  357   2HB   PRO  53          HB1       PRO  53  19.158   0.385   9.982
  358   1HG   PRO  53          HG2       PRO  53  16.805   0.041  11.772
  359   2HG   PRO  53          HG1       PRO  53  18.483  -0.471  12.014
  360   1HD   PRO  53          HD2       PRO  53  17.233   1.799  13.172
  361   2HD   PRO  53          HD1       PRO  53  18.971   1.429  13.198
  362    H    ASP  54           H        ASP  54  17.534   3.368   7.974
  363    HA   ASP  54           HA       ASP  54  15.065   4.619   8.607
  364   1HB   ASP  54          HB2       ASP  54  15.687   3.513   5.869
  365   2HB   ASP  54          HB1       ASP  54  14.824   4.994   6.286
  366    H    ASP  55           H        ASP  55  13.169   3.751   6.803
  367    HA   ASP  55           HA       ASP  55  12.699   0.872   7.359
  368   1HB   ASP  55          HB2       ASP  55  11.497   2.896   8.890
  369   2HB   ASP  55          HB1       ASP  55  10.256   2.406   7.736
  370    H    ARG  56           H        ARG  56  11.743  -0.109   5.598
  371    HA   ARG  56           HA       ARG  56  10.655   1.703   3.474
  372   1HB   ARG  56          HB2       ARG  56  12.038  -0.952   3.061
  373   2HB   ARG  56          HB1       ARG  56  11.542   0.191   1.817
  374   1HG   ARG  56          HG2       ARG  56  13.234   1.430   3.855
  375   2HG   ARG  56          HG1       ARG  56  14.043   0.101   3.024
  376   1HD   ARG  56          HD2       ARG  56  13.521   1.107   0.851
  377   2HD   ARG  56          HD1       ARG  56  12.638   2.410   1.648
  378    HE   ARG  56           HE       ARG  56  14.709   3.455   2.005
  379   1HH1  ARG  56          1HH1      ARG  56  15.174   0.241   0.945
  380   2HH1  ARG  56          2HH1      ARG  56  16.854   0.190   1.367
  381   1HH2  ARG  56          1HH2      ARG  56  16.849   3.312   2.873
  382   2HH2  ARG  56          2HH2      ARG  56  17.801   1.924   2.461
  383    H    CYS  57           H        CYS  57   8.757   1.086   2.461
  384    HA   CYS  57           HA       CYS  57   6.938  -0.595   3.892
  385   1HB   CYS  57          HB2       CYS  57   6.681   0.046   0.951
  386   2HB   CYS  57          HB1       CYS  57   5.397  -0.163   2.141
  387    H    THR  58           H        THR  58   5.984  -2.628   3.060
  388    HA   THR  58           HA       THR  58   8.088  -4.343   1.868
  389    HB   THR  58           HB       THR  58   6.961  -6.185   2.813
  390    HG1  THR  58           HG1      THR  58   4.717  -4.474   3.081
  391   1HG2  THR  58          1HG2      THR  58   7.504  -5.541   4.893
  392   2HG2  THR  58          2HG2      THR  58   5.965  -4.690   5.024
  393   3HG2  THR  58          3HG2      THR  58   7.387  -3.848   4.409
  394    H    GLY  59           H        GLY  59   5.757  -2.449   0.654
  395   1HA   GLY  59          HA2       GLY  59   5.103  -2.484  -1.664
  396   2HA   GLY  59          HA1       GLY  59   5.412  -4.219  -1.697
  397    H    GLN  60           H        GLN  60   3.914  -4.889   0.661
  398    HA   GLN  60           HA       GLN  60   1.164  -4.460  -0.417
  399   1HB   GLN  60          HB2       GLN  60   2.236  -6.612   1.436
  400   2HB   GLN  60          HB1       GLN  60   0.573  -6.502   0.859
  401   1HG   GLN  60          HG2       GLN  60   1.975  -6.344  -1.493
  402   2HG   GLN  60          HG1       GLN  60   2.990  -7.435  -0.549
  403   1HE2  GLN  60          1HE2      GLN  60   2.258  -9.185  -2.073
  404   2HE2  GLN  60          2HE2      GLN  60   0.741  -9.908  -1.838
  405    H    SER  61           H        SER  61   3.144  -3.224   1.923
  406    HA   SER  61           HA       SER  61   1.085  -3.099   4.043
  407   1HB   SER  61          HB2       SER  61   3.292  -3.377   4.895
  408   2HB   SER  61          HB1       SER  61   3.937  -2.125   3.837
  409    HG   SER  61           HG       SER  61   2.717  -0.607   5.006
  410    H    ALA  62           H        ALA  62  -0.011  -1.214   4.616
  411    HA   ALA  62           HA       ALA  62   0.103   0.987   2.611
  412   1HB   ALA  62          HB1       ALA  62  -2.135   0.275   2.854
  413   2HB   ALA  62          HB2       ALA  62  -2.044   1.684   3.910
  414   3HB   ALA  62          HB3       ALA  62  -1.971   0.062   4.597
  415    H    ASP  63           H        ASP  63   0.210   0.360   6.105
  416    HA   ASP  63           HA       ASP  63   1.059   3.174   6.562
  417   1HB   ASP  63          HB2       ASP  63   0.644   1.086   8.704
  418   2HB   ASP  63          HB1       ASP  63   0.545   2.842   8.847
  419    H    CYS  64           H        CYS  64   2.924   3.309   8.287
  420    HA   CYS  64           HA       CYS  64   5.098   1.600   7.238
  421   1HB   CYS  64          HB2       CYS  64   5.485   4.032   7.360
  422   2HB   CYS  64          HB1       CYS  64   5.209   3.993   9.083
  423    HA   PRO  65           HA       PRO  65   4.645  -0.864  10.907
  424   1HB   PRO  65          HB2       PRO  65   6.270  -2.849   9.953
  425   2HB   PRO  65          HB1       PRO  65   4.560  -2.718   9.541
  426   1HG   PRO  65          HG2       PRO  65   6.964  -2.132   7.890
  427   2HG   PRO  65          HG1       PRO  65   5.325  -2.565   7.370
  428   1HD   PRO  65          HD2       PRO  65   6.443   0.033   7.358
  429   2HD   PRO  65          HD1       PRO  65   4.727  -0.373   7.144
  430    H    ARG  66           H        ARG  66   6.830  -2.432  11.739
  431    HA   ARG  66           HA       ARG  66   9.139  -0.575  11.933
  432   1HB   ARG  66          HB2       ARG  66   9.188  -0.642  14.336
  433   2HB   ARG  66          HB1       ARG  66   7.550  -0.175  13.873
  434   1HG   ARG  66          HG2       ARG  66   6.741  -2.430  14.215
  435   2HG   ARG  66          HG1       ARG  66   8.380  -3.027  14.476
  436   1HD   ARG  66          HD2       ARG  66   7.962  -2.693  16.679
  437   2HD   ARG  66          HD1       ARG  66   8.196  -0.983  16.320
  438    HE   ARG  66           HE       ARG  66   5.523  -1.436  15.727
  439   1HH1  ARG  66          1HH2      ARG  66   5.610  -3.548  17.838
  440   2HH1  ARG  66          2HH2      ARG  66   5.242  -2.651  19.273
  441   1HH2  ARG  66          1HH1      ARG  66   5.901   0.434  17.833
  442   2HH2  ARG  66          2HH1      ARG  66   5.403  -0.397  19.268
  443    H    TYR  67           H        TYR  67  11.107  -1.667  12.534
  444    HA   TYR  67           HA       TYR  67  11.031  -4.559  11.908
  445   1HB   TYR  67          HB2       TYR  67  12.863  -2.449  11.404
  446   2HB   TYR  67          HB1       TYR  67  13.679  -3.583  12.482
  447    HD1  TYR  67           HD1      TYR  67  11.490  -3.576   9.436
  448    HD2  TYR  67           HD2      TYR  67  14.719  -5.457  11.554
  449    HE1  TYR  67           HE1      TYR  67  11.827  -5.133   7.538
  450    HE2  TYR  67           HE2      TYR  67  15.055  -7.015   9.654
  451    HH   TYR  67           HH       TYR  67  12.961  -6.876   6.769
  452    H    HIS  68           H        HIS  68  11.837  -2.367  14.558
  453    HA   HIS  68           HA       HIS  68  13.109  -4.231  16.281
  454   1HB   HIS  68          HB2       HIS  68  12.891  -1.714  16.615
  455   2HB   HIS  68          HB1       HIS  68  11.252  -2.019  17.192
  456    HD1  HIS  68           HD1      HIS  68  11.784  -1.361  19.637
  457    HD2  HIS  68           HD2      HIS  68  14.157  -4.473  18.199
  458    HE1  HIS  68           HE1      HIS  68  12.971  -2.345  21.646
  Start of MODEL   12
    1   1H    GLY   1          HT1       GLY   1  -9.199  -4.511  11.298
    2   2H    GLY   1          HT2       GLY   1  -8.786  -6.048  11.894
    3   3H    GLY   1          HT3       GLY   1  -9.402  -4.861  12.945
    4   1HA   GLY   1          HA1       GLY   1 -11.023  -6.635  12.269
    5   2HA   GLY   1          HA2       GLY   1 -11.544  -4.969  12.011
    6    H    LYS   2           H        LYS   2 -12.302  -7.465  10.549
    7    HA   LYS   2           HA       LYS   2 -11.133  -6.987   7.868
    8   1HB   LYS   2          HB2       LYS   2 -11.450  -9.325   8.771
    9   2HB   LYS   2          HB1       LYS   2 -13.191  -9.057   8.688
   10   1HG   LYS   2          HG2       LYS   2 -13.170  -8.875   6.331
   11   2HG   LYS   2          HG1       LYS   2 -11.426  -8.616   6.281
   12   1HD   LYS   2          HD2       LYS   2 -11.233 -10.981   7.301
   13   2HD   LYS   2          HD1       LYS   2 -12.923 -11.180   6.835
   14   1HE   LYS   2          HE2       LYS   2 -11.598 -12.029   5.018
   15   2HE   LYS   2          HE1       LYS   2 -12.249 -10.477   4.491
   16   1HZ   LYS   2          HZ1       LYS   2  -9.527 -11.258   4.945
   17   2HZ   LYS   2          HZ2       LYS   2  -9.930  -9.807   5.730
   18   3HZ   LYS   2          HZ3       LYS   2 -10.143  -9.956   4.051
   19    H    GLU   3           H        GLU   3 -13.313  -5.362   9.503
   20    HA   GLU   3           HA       GLU   3 -15.287  -5.233   7.256
   21   1HB   GLU   3          HB2       GLU   3 -15.694  -4.237  10.090
   22   2HB   GLU   3          HB1       GLU   3 -16.920  -4.438   8.835
   23   1HG   GLU   3          HG2       GLU   3 -17.247  -6.566   9.478
   24   2HG   GLU   3          HG1       GLU   3 -15.551  -6.931   9.160
   25    H    CYS   4           H        CYS   4 -12.809  -3.549   8.907
   26    HA   CYS   4           HA       CYS   4 -13.525  -1.112   7.356
   27   1HB   CYS   4          HB2       CYS   4 -14.075  -0.854   9.826
   28   2HB   CYS   4          HB1       CYS   4 -12.347  -0.998  10.142
   29    H    ASP   5           H        ASP   5 -11.896  -0.800   5.936
   30    HA   ASP   5           HA       ASP   5  -9.207  -1.866   6.564
   31   1HB   ASP   5          HB2       ASP   5 -10.503  -2.134   4.305
   32   2HB   ASP   5          HB1       ASP   5  -9.941  -0.492   3.989
   33    H    CYS   6           H        CYS   6 -10.913   1.095   6.643
   34    HA   CYS   6           HA       CYS   6  -8.320   2.584   6.791
   35   1HB   CYS   6          HB2       CYS   6  -9.416   4.527   5.910
   36   2HB   CYS   6          HB1       CYS   6  -9.897   3.189   4.873
   37    H    SER   7           H        SER   7  -8.826   4.756   8.171
   38    HA   SER   7           HA       SER   7 -10.374   3.871  10.577
   39   1HB   SER   7          HB2       SER   7  -7.846   3.855  10.845
   40   2HB   SER   7          HB1       SER   7  -7.885   5.601  10.617
   41    HG   SER   7           HG       SER   7  -8.676   4.055  12.763
   42    H    SER   8           H        SER   8 -10.725   5.821   8.110
   43    HA   SER   8           HA       SER   8 -11.859   8.014   9.782
   44   1HB   SER   8          HB2       SER   8 -10.181   8.285   7.281
   45   2HB   SER   8          HB1       SER   8 -11.212   9.583   7.876
   46    HG   SER   8           HG       SER   8  -9.095   8.289   9.261
   47    HA   PRO   9           HA       PRO   9 -15.405   7.105   7.307
   48   1HB   PRO   9          HB2       PRO   9 -16.920   9.253   8.110
   49   2HB   PRO   9          HB1       PRO   9 -16.658   7.814   9.110
   50   1HG   PRO   9          HG2       PRO   9 -15.468  10.534   9.388
   51   2HG   PRO   9          HG1       PRO   9 -15.741   9.298  10.627
   52   1HD   PRO   9          HD2       PRO   9 -13.264   9.890   9.383
   53   2HD   PRO   9          HD1       PRO   9 -13.619   8.467  10.386
   54    H    GLU  10           H        GLU  10 -14.448  10.560   7.425
   55    HA   GLU  10           HA       GLU  10 -15.619  11.279   4.926
   56   1HB   GLU  10          HB2       GLU  10 -13.930  12.511   6.910
   57   2HB   GLU  10          HB1       GLU  10 -13.300  12.866   5.300
   58   1HG   GLU  10          HG2       GLU  10 -16.230  13.169   5.976
   59   2HG   GLU  10          HG1       GLU  10 -15.075  14.481   6.209
   60    H    ASN  11           H        ASN  11 -12.796   9.448   5.666
   61    HA   ASN  11           HA       ASN  11 -11.096   9.947   3.499
   62   1HB   ASN  11          HB2       ASN  11 -10.523   8.363   5.278
   63   2HB   ASN  11          HB1       ASN  11 -11.797   7.269   4.737
   64   1HD2  ASN  11          1HD2      ASN  11  -8.488   8.056   4.329
   65   2HD2  ASN  11          2HD2      ASN  11  -8.204   7.146   2.924
   66    HA   PRO  12           HA       PRO  12 -13.861   8.808   0.181
   67   1HB   PRO  12          HB2       PRO  12 -12.149   9.558  -1.832
   68   2HB   PRO  12          HB1       PRO  12 -13.139  10.702  -0.911
   69   1HG   PRO  12          HG2       PRO  12 -10.208  10.193  -0.736
   70   2HG   PRO  12          HG1       PRO  12 -11.119  11.657  -0.328
   71   1HD   PRO  12          HD2       PRO  12 -10.121   9.740   1.511
   72   2HD   PRO  12          HD1       PRO  12 -11.271  11.044   1.874
   73    H    CYS  13           H        CYS  13 -10.648   7.574   0.751
   74    HA   CYS  13           HA       CYS  13 -10.636   5.699  -1.463
   75   1HB   CYS  13          HB2       CYS  13  -8.658   6.608   0.091
   76   2HB   CYS  13          HB1       CYS  13  -9.036   5.148   0.989
   77    H    CYS  14           H        CYS  14 -11.949   5.652   1.779
   78    HA   CYS  14           HA       CYS  14 -12.673   2.789   1.315
   79   1HB   CYS  14          HB2       CYS  14 -12.531   2.377   3.676
   80   2HB   CYS  14          HB1       CYS  14 -11.047   3.204   3.209
   81    H    ASP  15           H        ASP  15 -14.809   2.420   1.174
   82    HA   ASP  15           HA       ASP  15 -16.769   4.488   1.372
   83   1HB   ASP  15          HB2       ASP  15 -16.805   2.088   0.225
   84   2HB   ASP  15          HB1       ASP  15 -17.518   1.614   1.766
   85    H    ALA  16           H        ALA  16 -17.745   5.309   3.168
   86    HA   ALA  16           HA       ALA  16 -17.027   4.373   5.806
   87   1HB   ALA  16          HB1       ALA  16 -19.369   5.987   5.946
   88   2HB   ALA  16          HB2       ALA  16 -18.357   6.644   4.660
   89   3HB   ALA  16          HB3       ALA  16 -17.707   6.465   6.289
   90    H    ALA  17           H        ALA  17 -19.840   3.935   3.707
   91    HA   ALA  17           HA       ALA  17 -21.693   2.869   5.516
   92   1HB   ALA  17          HB1       ALA  17 -22.406   1.402   3.530
   93   2HB   ALA  17          HB2       ALA  17 -21.079   2.152   2.645
   94   3HB   ALA  17          HB3       ALA  17 -22.399   3.144   3.261
   95    H    THR  18           H        THR  18 -18.889   1.296   4.020
   96    HA   THR  18           HA       THR  18 -19.400  -1.068   5.781
   97    HB   THR  18           HB       THR  18 -19.401  -1.619   3.379
   98    HG1  THR  18           HG1      THR  18 -17.005  -2.440   4.652
   99   1HG2  THR  18          1HG2      THR  18 -17.949  -0.702   1.922
  100   2HG2  THR  18          2HG2      THR  18 -16.565  -1.147   2.920
  101   3HG2  THR  18          3HG2      THR  18 -17.436   0.355   3.239
  102    H    CYS  19           H        CYS  19 -17.337   1.591   5.175
  103    HA   CYS  19           HA       CYS  19 -15.462   2.306   6.425
  104   1HB   CYS  19          HB2       CYS  19 -16.667   0.609   8.151
  105   2HB   CYS  19          HB1       CYS  19 -15.180  -0.289   7.851
  106    H    LYS  20           H        LYS  20 -15.578   0.171   4.073
  107    HA   LYS  20           HA       LYS  20 -12.680  -0.563   4.292
  108   1HB   LYS  20          HB2       LYS  20 -14.848  -1.970   2.705
  109   2HB   LYS  20          HB1       LYS  20 -13.156  -2.463   2.817
  110   1HG   LYS  20          HG2       LYS  20 -14.270  -2.082   5.462
  111   2HG   LYS  20          HG1       LYS  20 -15.250  -3.223   4.540
  112   1HD   LYS  20          HD2       LYS  20 -12.319  -3.574   4.288
  113   2HD   LYS  20          HD1       LYS  20 -12.991  -3.931   5.879
  114   1HE   LYS  20          HE2       LYS  20 -14.548  -5.522   4.942
  115   2HE   LYS  20          HE1       LYS  20 -14.111  -5.056   3.298
  116   1HZ   LYS  20          HZ1       LYS  20 -12.893  -6.968   4.953
  117   2HZ   LYS  20          HZ2       LYS  20 -11.766  -5.736   4.641
  118   3HZ   LYS  20          HZ3       LYS  20 -12.509  -6.559   3.353
  119    H    LEU  21           H        LEU  21 -12.000  -1.134   1.775
  120    HA   LEU  21           HA       LEU  21 -11.631   1.363   0.519
  121   1HB   LEU  21          HB2       LEU  21 -11.418  -1.487  -0.389
  122   2HB   LEU  21          HB1       LEU  21 -11.289  -0.197  -1.587
  123    HG   LEU  21           HG       LEU  21  -9.693   0.662   0.545
  124   1HD1  LEU  21          1HD1      LEU  21 -10.009  -2.034   0.949
  125   2HD1  LEU  21          2HD1      LEU  21  -8.598  -1.108   1.462
  126   3HD1  LEU  21          3HD1      LEU  21  -8.565  -1.994  -0.062
  127   1HD2  LEU  21          1HD2      LEU  21  -8.063  -0.621  -1.400
  128   2HD2  LEU  21          2HD2      LEU  21  -8.482   1.090  -1.305
  129   3HD2  LEU  21          3HD2      LEU  21  -9.489  -0.015  -2.241
  130    H    ARG  22           H        ARG  22 -12.852   2.555  -0.898
  131    HA   ARG  22           HA       ARG  22 -15.547   1.486  -1.528
  132   1HB   ARG  22          HB2       ARG  22 -15.940   3.543  -0.595
  133   2HB   ARG  22          HB1       ARG  22 -14.414   4.217  -1.144
  134   1HG   ARG  22          HG2       ARG  22 -15.305   4.930  -3.129
  135   2HG   ARG  22          HG1       ARG  22 -16.333   3.506  -3.289
  136   1HD   ARG  22          HD2       ARG  22 -17.792   4.436  -1.462
  137   2HD   ARG  22          HD1       ARG  22 -16.827   5.913  -1.515
  138    HE   ARG  22           HE       ARG  22 -18.198   6.511  -3.327
  139   1HH1  ARG  22          1HH1      ARG  22 -19.329   3.526  -2.795
  140   2HH1  ARG  22          2HH1      ARG  22 -19.465   3.029  -4.449
  141   1HH2  ARG  22          1HH2      ARG  22 -17.631   5.700  -5.681
  142   2HH2  ARG  22          2HH2      ARG  22 -18.505   4.258  -6.082
  143    HA   PRO  23           HA       PRO  23 -14.151   2.770  -5.880
  144   1HB   PRO  23          HB2       PRO  23 -11.705   3.980  -6.211
  145   2HB   PRO  23          HB1       PRO  23 -13.207   4.872  -5.912
  146   1HG   PRO  23          HG2       PRO  23 -10.951   4.311  -4.040
  147   2HG   PRO  23          HG1       PRO  23 -12.095   5.663  -4.046
  148   1HD   PRO  23          HD2       PRO  23 -12.214   3.423  -2.339
  149   2HD   PRO  23          HD1       PRO  23 -13.522   4.586  -2.624
  150    H    GLY  24           H        GLY  24 -12.168   2.131  -7.484
  151   1HA   GLY  24          HA2       GLY  24 -11.388  -0.562  -6.689
  152   2HA   GLY  24          HA1       GLY  24 -10.998   0.216  -8.223
  153    H    ALA  25           H        ALA  25 -10.235   0.857  -4.782
  154    HA   ALA  25           HA       ALA  25  -7.433   1.433  -5.610
  155   1HB   ALA  25          HB1       ALA  25  -7.410   2.271  -3.117
  156   2HB   ALA  25          HB2       ALA  25  -9.164   2.246  -3.297
  157   3HB   ALA  25          HB3       ALA  25  -8.184   3.250  -4.363
  158    H    GLN  26           H        GLN  26  -5.683   0.554  -4.235
  159    HA   GLN  26           HA       GLN  26  -6.254  -2.223  -3.463
  160   1HB   GLN  26          HB2       GLN  26  -3.742  -0.550  -3.641
  161   2HB   GLN  26          HB1       GLN  26  -3.735  -2.201  -3.027
  162   1HG   GLN  26          HG2       GLN  26  -5.224  -2.099  -5.491
  163   2HG   GLN  26          HG1       GLN  26  -3.635  -1.369  -5.728
  164   1HE2  GLN  26          1HE2      GLN  26  -1.923  -2.809  -6.042
  165   2HE2  GLN  26          2HE2      GLN  26  -1.973  -4.465  -5.676
  166    H    CYS  27           H        CYS  27  -5.827   0.862  -1.934
  167    HA   CYS  27           HA       CYS  27  -6.263  -0.410   0.690
  168   1HB   CYS  27          HB2       CYS  27  -3.947  -0.450   0.868
  169   2HB   CYS  27          HB1       CYS  27  -3.734   0.971  -0.150
  170    H    GLY  28           H        GLY  28  -7.270   0.998   2.153
  171   1HA   GLY  28          HA2       GLY  28  -8.329   3.479   0.987
  172   2HA   GLY  28          HA1       GLY  28  -8.891   2.718   2.473
  173    H    GLU  29           H        GLU  29  -6.154   2.355   3.491
  174    HA   GLU  29           HA       GLU  29  -5.034   5.054   3.738
  175   1HB   GLU  29          HB2       GLU  29  -6.887   5.116   5.360
  176   2HB   GLU  29          HB1       GLU  29  -6.259   3.664   6.137
  177   1HG   GLU  29          HG2       GLU  29  -4.388   5.965   5.781
  178   2HG   GLU  29          HG1       GLU  29  -5.627   6.101   7.029
  179    H    GLY  30           H        GLY  30  -2.908   4.994   4.470
  180   1HA   GLY  30          HA2       GLY  30  -1.521   3.174   5.993
  181   2HA   GLY  30          HA1       GLY  30  -1.560   2.396   4.412
  182    H    LEU  31           H        LEU  31   0.921   3.176   5.389
  183    HA   LEU  31           HA       LEU  31   1.445   5.819   4.237
  184   1HB   LEU  31          HB2       LEU  31   3.864   5.300   4.850
  185   2HB   LEU  31          HB1       LEU  31   2.735   5.534   6.169
  186    HG   LEU  31           HG       LEU  31   4.399   3.559   6.271
  187   1HD1  LEU  31          1HD1      LEU  31   3.070   2.838   7.916
  188   2HD1  LEU  31          2HD1      LEU  31   1.834   2.321   6.775
  189   3HD1  LEU  31          3HD1      LEU  31   1.866   3.987   7.339
  190   1HD2  LEU  31          1HD2      LEU  31   3.814   1.559   5.122
  191   2HD2  LEU  31          2HD2      LEU  31   3.775   2.826   3.909
  192   3HD2  LEU  31          3HD2      LEU  31   2.270   2.221   4.598
  193    H    CYS  32           H        CYS  32   1.263   2.670   3.099
  194    HA   CYS  32           HA       CYS  32   3.152   3.207   0.852
  195   1HB   CYS  32          HB2       CYS  32   1.578   0.682   1.453
  196   2HB   CYS  32          HB1       CYS  32   2.839   0.863   0.239
  197    H    CYS  33           H        CYS  33  -0.108   3.412   1.747
  198    HA   CYS  33           HA       CYS  33  -1.328   2.852  -0.814
  199   1HB   CYS  33          HB2       CYS  33  -2.507   4.638   1.306
  200   2HB   CYS  33          HB1       CYS  33  -3.343   3.542   0.210
  201    H    GLU  34           H        GLU  34   0.178   4.173  -2.143
  202    HA   GLU  34           HA       GLU  34  -0.124   7.104  -1.918
  203   1HB   GLU  34          HB2       GLU  34   1.544   5.274  -3.657
  204   2HB   GLU  34          HB1       GLU  34   1.386   6.992  -4.021
  205   1HG   GLU  34          HG2       GLU  34   2.094   6.195  -1.224
  206   2HG   GLU  34          HG1       GLU  34   3.347   6.113  -2.462
  207    H    GLN  35           H        GLN  35  -1.756   8.103  -3.013
  208    HA   GLN  35           HA       GLN  35  -3.491   8.411  -4.559
  209   1HB   GLN  35          HB2       GLN  35  -1.270   7.567  -6.035
  210   2HB   GLN  35          HB1       GLN  35  -2.569   6.496  -6.562
  211   1HG   GLN  35          HG2       GLN  35  -3.951   8.333  -7.209
  212   2HG   GLN  35          HG1       GLN  35  -2.911   9.496  -6.386
  213   1HE2  GLN  35          1HE2      GLN  35  -0.430   9.182  -7.253
  214   2HE2  GLN  35          2HE2      GLN  35  -0.303   9.165  -8.945
  215    H    CYS  36           H        CYS  36  -3.397   6.202  -2.577
  216    HA   CYS  36           HA       CYS  36  -4.770   4.432  -1.928
  217   1HB   CYS  36          HB2       CYS  36  -6.282   5.399  -4.359
  218   2HB   CYS  36          HB1       CYS  36  -6.777   3.986  -3.450
  219    H    LYS  37           H        LYS  37  -2.450   3.701  -3.065
  220    HA   LYS  37           HA       LYS  37  -3.178   1.186  -4.417
  221   1HB   LYS  37          HB2       LYS  37  -2.163   3.422  -5.874
  222   2HB   LYS  37          HB1       LYS  37  -0.880   2.216  -5.785
  223   1HG   LYS  37          HG2       LYS  37  -3.592   1.172  -6.382
  224   2HG   LYS  37          HG1       LYS  37  -2.846   2.147  -7.648
  225   1HD   LYS  37          HD2       LYS  37  -0.796   0.714  -7.468
  226   2HD   LYS  37          HD1       LYS  37  -1.666  -0.315  -6.328
  227   1HE   LYS  37          HE2       LYS  37  -3.468  -0.187  -8.370
  228   2HE   LYS  37          HE1       LYS  37  -1.952  -0.091  -9.265
  229   1HZ   LYS  37          HZ1       LYS  37  -2.934  -2.239  -7.510
  230   2HZ   LYS  37          HZ2       LYS  37  -1.265  -2.038  -7.749
  231   3HZ   LYS  37          HZ3       LYS  37  -2.283  -2.347  -9.072
  232    H    PHE  38           H        PHE  38  -1.889  -0.430  -3.636
  233    HA   PHE  38           HA       PHE  38  -0.179  -0.127  -1.450
  234   1HB   PHE  38          HB2       PHE  38  -0.216  -2.197  -3.650
  235   2HB   PHE  38          HB1       PHE  38   0.823  -2.344  -2.233
  236    HD1  PHE  38           HD1      PHE  38  -1.064  -1.119  -0.182
  237    HD2  PHE  38           HD2      PHE  38  -1.711  -4.002  -3.303
  238    HE1  PHE  38           HE1      PHE  38  -2.976  -2.065   1.081
  239    HE2  PHE  38           HE2      PHE  38  -3.621  -4.945  -2.037
  240    HZ   PHE  38           HZ       PHE  38  -4.254  -3.976   0.156
  241    H    SER  39           H        SER  39   1.639   1.133  -1.360
  242    HA   SER  39           HA       SER  39   3.105   2.089  -3.581
  243   1HB   SER  39          HB2       SER  39   3.246   2.559  -0.916
  244   2HB   SER  39          HB1       SER  39   4.667   1.542  -1.114
  245    HG   SER  39           HG       SER  39   4.033   3.855  -2.639
  246    H    ARG  40           H        ARG  40   5.774   1.433  -3.235
  247    HA   ARG  40           HA       ARG  40   5.781  -1.472  -3.945
  248   1HB   ARG  40          HB2       ARG  40   7.894   0.490  -4.826
  249   2HB   ARG  40          HB1       ARG  40   7.467  -1.063  -5.542
  250   1HG   ARG  40          HG2       ARG  40   5.123   0.563  -5.552
  251   2HG   ARG  40          HG1       ARG  40   6.447   1.530  -6.203
  252   1HD   ARG  40          HD2       ARG  40   6.311  -1.274  -7.161
  253   2HD   ARG  40          HD1       ARG  40   5.010  -0.215  -7.702
  254    HE   ARG  40           HE       ARG  40   7.745  -0.105  -8.611
  255   1HH1  ARG  40          1HH1      ARG  40   5.143   0.911  -9.937
  256   2HH1  ARG  40          2HH1      ARG  40   5.486   2.606 -10.035
  257   1HH2  ARG  40          1HH2      ARG  40   8.135   2.475  -7.804
  258   2HH2  ARG  40          2HH2      ARG  40   7.176   3.490  -8.827
  259    H    ALA  41           H        ALA  41   7.223  -2.766  -2.867
  260    HA   ALA  41           HA       ALA  41   8.154  -2.252  -0.342
  261   1HB   ALA  41          HB1       ALA  41   9.088  -4.310  -0.493
  262   2HB   ALA  41          HB2       ALA  41  10.109  -3.832  -1.848
  263   3HB   ALA  41          HB3       ALA  41   8.446  -4.343  -2.135
  264    H    GLY  42           H        GLY  42  10.422  -1.892   0.452
  265   1HA   GLY  42          HA2       GLY  42  12.409  -0.625   0.486
  266   2HA   GLY  42          HA1       GLY  42  12.351  -0.608  -1.280
  267    H    LYS  43           H        LYS  43   9.585   0.411   0.561
  268    HA   LYS  43           HA       LYS  43   9.954   3.165  -0.528
  269   1HB   LYS  43          HB2       LYS  43   7.792   1.736  -0.753
  270   2HB   LYS  43          HB1       LYS  43   7.529   2.167   0.929
  271   1HG   LYS  43          HG2       LYS  43   7.932   4.146  -1.320
  272   2HG   LYS  43          HG1       LYS  43   6.380   3.734  -0.581
  273   1HD   LYS  43          HD2       LYS  43   7.722   4.346   1.652
  274   2HD   LYS  43          HD1       LYS  43   8.637   5.344   0.522
  275   1HE   LYS  43          HE2       LYS  43   6.076   5.881  -0.266
  276   2HE   LYS  43          HE1       LYS  43   5.855   5.644   1.467
  277   1HZ   LYS  43          HZ1       LYS  43   7.395   7.321   1.957
  278   2HZ   LYS  43          HZ2       LYS  43   6.436   7.965   0.712
  279   3HZ   LYS  43          HZ3       LYS  43   7.991   7.372   0.370
  280    H    ILE  44           H        ILE  44  11.089   4.470   0.869
  281    HA   ILE  44           HA       ILE  44  11.462   4.137   3.621
  282    HB   ILE  44           HB       ILE  44  12.736   5.823   2.486
  283   1HG1  ILE  44          2HG1      ILE  44  12.377   7.788   3.898
  284   2HG1  ILE  44          1HG1      ILE  44  10.739   7.248   4.273
  285   1HG2  ILE  44          1HG2      ILE  44  11.482   6.565   0.679
  286   2HG2  ILE  44          2HG2      ILE  44  11.333   7.950   1.761
  287   3HG2  ILE  44          3HG2      ILE  44  10.023   6.777   1.643
  288   1HD1  ILE  44          1HD1      ILE  44  13.286   5.749   4.957
  289   2HD1  ILE  44          2HD1      ILE  44  11.647   5.216   5.335
  290   3HD1  ILE  44          3HD1      ILE  44  12.301   6.667   6.096
  291    H    CYS  45           H        CYS  45   9.572   3.482   4.701
  292    HA   CYS  45           HA       CYS  45   7.203   5.256   4.553
  293   1HB   CYS  45          HB2       CYS  45   6.187   3.448   6.025
  294   2HB   CYS  45          HB1       CYS  45   6.593   2.967   4.382
  295    H    ARG  46           H        ARG  46   9.861   4.583   6.697
  296    HA   ARG  46           HA       ARG  46   8.738   6.569   8.581
  297   1HB   ARG  46          HB2       ARG  46   8.622   3.748   9.084
  298   2HB   ARG  46          HB1       ARG  46   9.759   4.481  10.217
  299   1HG   ARG  46          HG2       ARG  46   8.070   5.396  11.387
  300   2HG   ARG  46          HG1       ARG  46   7.450   6.182   9.934
  301   1HD   ARG  46          HD2       ARG  46   5.797   4.664   9.711
  302   2HD   ARG  46          HD1       ARG  46   6.916   3.317   9.921
  303    HE   ARG  46           HE       ARG  46   6.606   4.347  12.481
  304   1HH1  ARG  46          1HH1      ARG  46   3.983   4.540  10.490
  305   2HH1  ARG  46          2HH1      ARG  46   3.003   3.385  11.332
  306   1HH2  ARG  46          1HH2      ARG  46   5.587   2.272  13.357
  307   2HH2  ARG  46          2HH2      ARG  46   3.911   2.102  12.954
  308    H    ILE  47           H        ILE  47  10.284   7.307  10.138
  309    HA   ILE  47           HA       ILE  47  13.114   6.769   9.383
  310    HB   ILE  47           HB       ILE  47  11.548   9.262   9.280
  311   1HG1  ILE  47          2HG1      ILE  47  12.856   8.060   7.430
  312   2HG1  ILE  47          1HG1      ILE  47  13.087   9.803   7.560
  313   1HG2  ILE  47          1HG2      ILE  47  13.733  10.560   9.886
  314   2HG2  ILE  47          2HG2      ILE  47  14.102   9.124  10.842
  315   3HG2  ILE  47          3HG2      ILE  47  12.639  10.052  11.171
  316   1HD1  ILE  47          1HD1      ILE  47  15.121   9.296   9.018
  317   2HD1  ILE  47          2HD1      ILE  47  15.272   8.864   7.315
  318   3HD1  ILE  47          3HD1      ILE  47  14.943   7.615   8.515
  319    HA   PRO  48           HA       PRO  48  13.339   6.216  13.782
  320   1HB   PRO  48          HB2       PRO  48  16.066   5.894  13.911
  321   2HB   PRO  48          HB1       PRO  48  14.953   4.628  13.363
  322   1HG   PRO  48          HG2       PRO  48  16.795   6.328  11.754
  323   2HG   PRO  48          HG1       PRO  48  16.156   4.716  11.395
  324   1HD   PRO  48          HD2       PRO  48  15.230   7.160  10.298
  325   2HD   PRO  48          HD1       PRO  48  14.413   5.589  10.188
  326    H    ARG  49           H        ARG  49  15.259   7.088  15.477
  327    HA   ARG  49           HA       ARG  49  15.378  10.040  14.994
  328   1HB   ARG  49          HB2       ARG  49  15.194   8.612  17.664
  329   2HB   ARG  49          HB1       ARG  49  15.145  10.355  17.398
  330   1HG   ARG  49          HG2       ARG  49  13.142   8.453  16.163
  331   2HG   ARG  49          HG1       ARG  49  12.880   9.242  17.719
  332   1HD   ARG  49          HD2       ARG  49  13.637  10.875  15.310
  333   2HD   ARG  49          HD1       ARG  49  11.961  10.392  15.559
  334    HE   ARG  49           HE       ARG  49  13.506  12.225  17.306
  335   1HH1  ARG  49          1HH2      ARG  49  10.605  11.837  15.799
  336   2HH1  ARG  49          2HH2      ARG  49   9.610  12.161  17.179
  337   1HH2  ARG  49          1HH1      ARG  49  12.245  12.064  19.430
  338   2HH2  ARG  49          2HH1      ARG  49  10.539  12.289  19.236
  339    H    GLY  50           H        GLY  50  17.309   7.455  14.869
  340   1HA   GLY  50          HA2       GLY  50  19.754   8.152  14.640
  341   2HA   GLY  50          HA1       GLY  50  19.571   8.844  16.251
  342    H    ASP  51           H        ASP  51  17.779   6.420  16.927
  343    HA   ASP  51           HA       ASP  51  20.042   4.507  17.341
  344   1HB   ASP  51          HB2       ASP  51  18.283   5.763  19.224
  345   2HB   ASP  51          HB1       ASP  51  17.960   4.029  19.227
  346    H    MET  52           H        MET  52  17.501   4.847  15.404
  347    HA   MET  52           HA       MET  52  16.858   1.930  15.512
  348   1HB   MET  52          HB2       MET  52  14.986   4.277  15.209
  349   2HB   MET  52          HB1       MET  52  14.551   2.680  14.600
  350   1HG   MET  52          HG2       MET  52  15.632   2.553  17.308
  351   2HG   MET  52          HG1       MET  52  14.202   3.582  17.215
  352   1HE   MET  52          HE1       MET  52  15.369   0.689  18.231
  353   2HE   MET  52          HE2       MET  52  14.152  -0.573  18.045
  354   3HE   MET  52          HE3       MET  52  13.781   0.868  18.988
  355    HA   PRO  53           HA       PRO  53  17.836   1.951  11.233
  356   1HB   PRO  53          HB2       PRO  53  16.279  -0.156  10.402
  357   2HB   PRO  53          HB1       PRO  53  17.771  -0.349  11.338
  358   1HG   PRO  53          HG2       PRO  53  14.943  -0.635  12.238
  359   2HG   PRO  53          HG1       PRO  53  16.410  -1.385  12.889
  360   1HD   PRO  53          HD2       PRO  53  15.047   0.837  13.999
  361   2HD   PRO  53          HD1       PRO  53  16.675   0.281  14.443
  362    H    ASP  54           H        ASP  54  16.921   2.331   9.084
  363    HA   ASP  54           HA       ASP  54  14.810   4.231   9.025
  364   1HB   ASP  54          HB2       ASP  54  15.692   2.508   6.701
  365   2HB   ASP  54          HB1       ASP  54  14.996   4.128   6.632
  366    H    ASP  55           H        ASP  55  13.082   3.526   7.005
  367    HA   ASP  55           HA       ASP  55  11.784   0.981   7.791
  368   1HB   ASP  55          HB2       ASP  55  10.922   3.560   8.715
  369   2HB   ASP  55          HB1       ASP  55   9.711   2.923   7.606
  370    H    ARG  56           H        ARG  56  11.309  -0.023   5.886
  371    HA   ARG  56           HA       ARG  56  10.619   1.703   3.544
  372   1HB   ARG  56          HB2       ARG  56  12.134  -0.917   3.556
  373   2HB   ARG  56          HB1       ARG  56  11.698   0.005   2.116
  374   1HG   ARG  56          HG2       ARG  56  13.166   1.448   4.278
  375   2HG   ARG  56          HG1       ARG  56  14.080   0.300   3.300
  376   1HD   ARG  56          HD2       ARG  56  12.989   1.481   1.266
  377   2HD   ARG  56          HD1       ARG  56  12.609   2.773   2.402
  378    HE   ARG  56           HE       ARG  56  15.217   2.594   2.878
  379   1HH1  ARG  56          1HH2      ARG  56  13.422   3.381   0.149
  380   2HH1  ARG  56          2HH2      ARG  56  14.771   3.441  -0.935
  381   1HH2  ARG  56          1HH1      ARG  56  17.026   2.184   1.377
  382   2HH2  ARG  56          2HH1      ARG  56  16.812   2.769  -0.239
  383    H    CYS  57           H        CYS  57   8.862   1.045   2.272
  384    HA   CYS  57           HA       CYS  57   6.908  -0.694   3.486
  385   1HB   CYS  57          HB2       CYS  57   6.449   1.183   1.810
  386   2HB   CYS  57          HB1       CYS  57   6.981   0.071   0.560
  387    H    THR  58           H        THR  58   6.061  -2.675   2.393
  388    HA   THR  58           HA       THR  58   8.316  -4.347   1.447
  389    HB   THR  58           HB       THR  58   6.793  -6.249   1.917
  390    HG1  THR  58           HG1      THR  58   4.834  -5.669   3.042
  391   1HG2  THR  58          1HG2      THR  58   7.756  -4.291   3.862
  392   2HG2  THR  58          2HG2      THR  58   7.870  -6.049   3.893
  393   3HG2  THR  58          3HG2      THR  58   6.411  -5.250   4.478
  394    H    GLY  59           H        GLY  59   5.647  -2.640   0.238
  395   1HA   GLY  59          HA2       GLY  59   5.384  -2.433  -2.185
  396   2HA   GLY  59          HA1       GLY  59   5.912  -4.109  -2.342
  397    H    GLN  60           H        GLN  60   4.329  -5.461  -0.591
  398    HA   GLN  60           HA       GLN  60   1.650  -5.083  -1.809
  399   1HB   GLN  60          HB2       GLN  60   2.848  -7.385  -0.238
  400   2HB   GLN  60          HB1       GLN  60   1.208  -7.366  -0.892
  401   1HG   GLN  60          HG2       GLN  60   2.828  -6.605  -3.043
  402   2HG   GLN  60          HG1       GLN  60   3.722  -7.906  -2.255
  403   1HE2  GLN  60          1HE2      GLN  60   1.683  -7.563  -4.744
  404   2HE2  GLN  60          2HE2      GLN  60   0.768  -8.986  -4.615
  405    H    SER  61           H        SER  61   3.223  -4.075   0.931
  406    HA   SER  61           HA       SER  61   0.819  -4.405   2.667
  407   1HB   SER  61          HB2       SER  61   3.123  -4.965   3.550
  408   2HB   SER  61          HB1       SER  61   3.514  -3.252   3.430
  409    HG   SER  61           HG       SER  61   2.361  -2.903   5.153
  410    H    ALA  62           H        ALA  62  -0.597  -2.731   2.782
  411    HA   ALA  62           HA       ALA  62  -0.063  -0.190   1.514
  412   1HB   ALA  62          HB1       ALA  62  -2.319  -1.506   2.731
  413   2HB   ALA  62          HB2       ALA  62  -2.308  -0.123   1.636
  414   3HB   ALA  62          HB3       ALA  62  -2.177   0.129   3.377
  415    H    ASP  63           H        ASP  63  -0.126  -1.317   4.878
  416    HA   ASP  63           HA       ASP  63   0.647   1.345   5.854
  417   1HB   ASP  63          HB2       ASP  63   0.726  -1.135   7.548
  418   2HB   ASP  63          HB1       ASP  63   0.277   0.509   8.003
  419    H    CYS  64           H        CYS  64   2.605   0.919   7.707
  420    HA   CYS  64           HA       CYS  64   4.782  -0.328   6.091
  421   1HB   CYS  64          HB2       CYS  64   5.252   1.973   6.099
  422   2HB   CYS  64          HB1       CYS  64   4.821   2.163   7.793
  423    HA   PRO  65           HA       PRO  65   4.757  -2.762   9.867
  424   1HB   PRO  65          HB2       PRO  65   5.092  -5.104   8.496
  425   2HB   PRO  65          HB1       PRO  65   3.510  -4.385   8.797
  426   1HG   PRO  65          HG2       PRO  65   5.026  -4.603   6.268
  427   2HG   PRO  65          HG1       PRO  65   3.303  -4.277   6.511
  428   1HD   PRO  65          HD2       PRO  65   5.378  -2.379   5.900
  429   2HD   PRO  65          HD1       PRO  65   3.661  -2.045   6.187
  430    H    ARG  66           H        ARG  66   7.055  -2.019   7.477
  431    HA   ARG  66           HA       ARG  66   9.126  -3.878   8.391
  432   1HB   ARG  66          HB2       ARG  66   9.057  -3.094   6.047
  433   2HB   ARG  66          HB1       ARG  66   9.350  -1.444   6.597
  434   1HG   ARG  66          HG2       ARG  66  11.562  -1.833   6.970
  435   2HG   ARG  66          HG1       ARG  66  11.263  -3.442   7.631
  436   1HD   ARG  66          HD2       ARG  66  10.652  -4.025   5.130
  437   2HD   ARG  66          HD1       ARG  66  11.642  -2.609   4.773
  438    HE   ARG  66           HE       ARG  66  13.550  -3.851   5.407
  439   1HH1  ARG  66          1HH2      ARG  66  11.983  -6.293   4.571
  440   2HH1  ARG  66          2HH2      ARG  66  12.163  -7.315   5.957
  441   1HH2  ARG  66          1HH1      ARG  66  13.205  -4.752   8.044
  442   2HH2  ARG  66          2HH1      ARG  66  12.853  -6.442   7.924
  443    H    TYR  67           H        TYR  67   8.901  -3.132  10.708
  444    HA   TYR  67           HA       TYR  67  10.342  -0.564  11.189
  445   1HB   TYR  67          HB2       TYR  67   8.028  -1.467  12.336
  446   2HB   TYR  67          HB1       TYR  67   9.227  -2.024  13.504
  447    HD1  TYR  67           HD2      TYR  67   8.270   1.005  11.515
  448    HD2  TYR  67           HD1      TYR  67  10.082  -0.529  15.095
  449    HE1  TYR  67           HE2      TYR  67   8.494   3.313  12.393
  450    HE2  TYR  67           HE1      TYR  67  10.306   1.779  15.971
  451    HH   TYR  67           HH       TYR  67   8.964   4.551  14.211
  452    H    HIS  68           H        HIS  68  11.279  -3.494  10.546
  453    HA   HIS  68           HA       HIS  68  12.949  -4.974  11.323
  454   1HB   HIS  68          HB2       HIS  68  14.087  -2.717  10.642
  455   2HB   HIS  68          HB1       HIS  68  14.330  -2.517  12.378
  456    HD1  HIS  68           HD1      HIS  68  15.970  -4.134  13.556
  457    HD2  HIS  68           HD2      HIS  68  15.563  -4.873   9.474
  458    HE1  HIS  68           HE1      HIS  68  17.817  -5.750  12.934
  Start of MODEL   13
    1   1H    GLY   1          HT1       GLY   1 -13.877  -7.557  13.809
    2   2H    GLY   1          HT2       GLY   1 -15.182  -7.144  14.814
    3   3H    GLY   1          HT3       GLY   1 -13.593  -6.773  15.286
    4   1HA   GLY   1          HA1       GLY   1 -15.378  -5.344  13.529
    5   2HA   GLY   1          HA2       GLY   1 -14.006  -4.752  14.465
    6    H    LYS   2           H        LYS   2 -14.397  -7.144  11.818
    7    HA   LYS   2           HA       LYS   2 -11.962  -5.993  10.562
    8   1HB   LYS   2          HB2       LYS   2 -12.455  -8.556  10.950
    9   2HB   LYS   2          HB1       LYS   2 -13.413  -8.388   9.478
   10   1HG   LYS   2          HG2       LYS   2 -11.416  -7.397   8.346
   11   2HG   LYS   2          HG1       LYS   2 -10.474  -7.721   9.801
   12   1HD   LYS   2          HD2       LYS   2 -12.006 -10.036   8.797
   13   2HD   LYS   2          HD1       LYS   2 -10.730  -9.475   7.715
   14   1HE   LYS   2          HE2       LYS   2  -9.053 -10.033   9.178
   15   2HE   LYS   2          HE1       LYS   2 -10.033  -9.679  10.601
   16   1HZ   LYS   2          HZ1       LYS   2 -10.786 -11.943   8.896
   17   2HZ   LYS   2          HZ2       LYS   2 -10.994 -11.731  10.569
   18   3HZ   LYS   2          HZ3       LYS   2  -9.464 -12.126   9.945
   19    H    GLU   3           H        GLU   3 -14.627  -4.657  10.525
   20    HA   GLU   3           HA       GLU   3 -15.226  -4.789   7.601
   21   1HB   GLU   3          HB2       GLU   3 -16.837  -3.729   9.941
   22   2HB   GLU   3          HB1       GLU   3 -17.317  -3.538   8.254
   23   1HG   GLU   3          HG2       GLU   3 -17.420  -5.943   7.952
   24   2HG   GLU   3          HG1       GLU   3 -16.764  -6.214   9.567
   25    H    CYS   4           H        CYS   4 -13.047  -3.254   9.216
   26    HA   CYS   4           HA       CYS   4 -13.658  -0.601   7.983
   27   1HB   CYS   4          HB2       CYS   4 -12.798  -1.288  10.719
   28   2HB   CYS   4          HB1       CYS   4 -11.859  -0.002   9.963
   29    H    ASP   5           H        ASP   5 -12.296  -0.342   6.276
   30    HA   ASP   5           HA       ASP   5  -9.678  -1.727   6.295
   31   1HB   ASP   5          HB2       ASP   5 -11.282  -1.722   4.290
   32   2HB   ASP   5          HB1       ASP   5 -10.814  -0.036   4.061
   33    H    CYS   6           H        CYS   6 -10.985   1.364   6.951
   34    HA   CYS   6           HA       CYS   6  -8.221   2.498   6.933
   35   1HB   CYS   6          HB2       CYS   6  -9.108   4.650   6.179
   36   2HB   CYS   6          HB1       CYS   6  -9.530   3.397   5.011
   37    H    SER   7           H        SER   7  -7.901   4.180   8.560
   38    HA   SER   7           HA       SER   7  -9.656   3.748  10.911
   39   1HB   SER   7          HB2       SER   7  -6.840   4.432  10.485
   40   2HB   SER   7          HB1       SER   7  -7.612   5.451  11.698
   41    HG   SER   7           HG       SER   7  -6.999   2.769  11.746
   42    H    SER   8           H        SER   8  -9.647   5.807   8.351
   43    HA   SER   8           HA       SER   8 -10.627   8.083  10.023
   44   1HB   SER   8          HB2       SER   8 -10.153   9.225   7.601
   45   2HB   SER   8          HB1       SER   8  -8.970   9.181   8.904
   46    HG   SER   8           HG       SER   8  -9.269   7.193   6.892
   47    HA   PRO   9           HA       PRO   9 -14.466   7.114   7.988
   48   1HB   PRO   9          HB2       PRO   9 -15.915   9.129   9.172
   49   2HB   PRO   9          HB1       PRO   9 -15.507   7.609   9.986
   50   1HG   PRO   9          HG2       PRO   9 -14.341  10.322  10.386
   51   2HG   PRO   9          HG1       PRO   9 -14.446   8.968  11.523
   52   1HD   PRO   9          HD2       PRO   9 -12.141   9.743  10.070
   53   2HD   PRO   9          HD1       PRO   9 -12.357   8.215  10.952
   54    H    GLU  10           H        GLU  10 -12.907  10.266   7.984
   55    HA   GLU  10           HA       GLU  10 -14.623  11.352   5.874
   56   1HB   GLU  10          HB2       GLU  10 -12.175  12.279   7.345
   57   2HB   GLU  10          HB1       GLU  10 -12.623  13.074   5.835
   58   1HG   GLU  10          HG2       GLU  10 -14.225  14.239   6.897
   59   2HG   GLU  10          HG1       GLU  10 -14.984  12.739   7.431
   60    H    ASN  11           H        ASN  11 -11.983   9.220   6.007
   61    HA   ASN  11           HA       ASN  11 -10.576   9.887   3.621
   62   1HB   ASN  11          HB2       ASN  11  -9.825   8.231   5.356
   63   2HB   ASN  11          HB1       ASN  11 -11.045   7.112   4.745
   64   1HD2  ASN  11          1HD2      ASN  11  -7.807   7.772   4.482
   65   2HD2  ASN  11          2HD2      ASN  11  -7.527   7.203   2.908
   66    HA   PRO  12           HA       PRO  12 -13.855   8.808   0.790
   67   1HB   PRO  12          HB2       PRO  12 -12.473   9.515  -1.478
   68   2HB   PRO  12          HB1       PRO  12 -13.277  10.685  -0.416
   69   1HG   PRO  12          HG2       PRO  12 -10.367  10.096  -0.702
   70   2HG   PRO  12          HG1       PRO  12 -11.163  11.590  -0.182
   71   1HD   PRO  12          HD2       PRO  12  -9.936   9.689   1.517
   72   2HD   PRO  12          HD1       PRO  12 -11.015  11.005   2.028
   73    H    CYS  13           H        CYS  13 -10.519   7.672   0.578
   74    HA   CYS  13           HA       CYS  13 -10.767   5.766  -1.488
   75   1HB   CYS  13          HB2       CYS  13  -8.715   6.498   0.043
   76   2HB   CYS  13          HB1       CYS  13  -9.183   5.062   0.944
   77    H    CYS  14           H        CYS  14 -11.619   5.517   1.949
   78    HA   CYS  14           HA       CYS  14 -12.695   2.789   1.407
   79   1HB   CYS  14          HB2       CYS  14 -12.772   2.591   3.893
   80   2HB   CYS  14          HB1       CYS  14 -11.147   2.901   3.285
   81    H    ASP  15           H        ASP  15 -14.867   2.540   1.265
   82    HA   ASP  15           HA       ASP  15 -16.722   4.642   1.235
   83   1HB   ASP  15          HB2       ASP  15 -16.970   2.101   0.592
   84   2HB   ASP  15          HB1       ASP  15 -17.549   1.935   2.249
   85    H    ALA  16           H        ALA  16 -17.451   5.938   2.848
   86    HA   ALA  16           HA       ALA  16 -16.662   5.638   5.570
   87   1HB   ALA  16          HB1       ALA  16 -19.075   7.174   4.566
   88   2HB   ALA  16          HB2       ALA  16 -17.421   7.779   4.464
   89   3HB   ALA  16          HB3       ALA  16 -18.154   7.480   6.040
   90    H    ALA  17           H        ALA  17 -19.649   4.726   3.879
   91    HA   ALA  17           HA       ALA  17 -21.123   3.929   6.194
   92   1HB   ALA  17          HB1       ALA  17 -21.284   3.425   3.266
   93   2HB   ALA  17          HB2       ALA  17 -22.533   3.976   4.384
   94   3HB   ALA  17          HB3       ALA  17 -22.109   2.266   4.309
   95    H    THR  18           H        THR  18 -19.537   1.767   3.815
   96    HA   THR  18           HA       THR  18 -19.529  -0.428   5.733
   97    HB   THR  18           HB       THR  18 -18.497  -1.710   3.978
   98    HG1  THR  18           HG1      THR  18 -17.947  -0.329   2.018
   99   1HG2  THR  18          1HG2      THR  18 -19.915  -0.773   1.934
  100   2HG2  THR  18          2HG2      THR  18 -20.613   0.251   3.189
  101   3HG2  THR  18          3HG2      THR  18 -20.707  -1.505   3.331
  102    H    CYS  19           H        CYS  19 -17.624   2.293   5.437
  103    HA   CYS  19           HA       CYS  19 -15.472   2.845   6.219
  104   1HB   CYS  19          HB2       CYS  19 -16.538   2.098   8.328
  105   2HB   CYS  19          HB1       CYS  19 -16.035   0.442   7.987
  106    H    LYS  20           H        LYS  20 -15.691   0.918   3.955
  107    HA   LYS  20           HA       LYS  20 -12.978  -0.274   4.283
  108   1HB   LYS  20          HB2       LYS  20 -15.492  -1.688   3.408
  109   2HB   LYS  20          HB1       LYS  20 -13.897  -2.274   2.934
  110   1HG   LYS  20          HG2       LYS  20 -13.661  -1.761   5.673
  111   2HG   LYS  20          HG1       LYS  20 -15.255  -2.496   5.502
  112   1HD   LYS  20          HD2       LYS  20 -12.665  -3.638   4.407
  113   2HD   LYS  20          HD1       LYS  20 -13.517  -4.218   5.839
  114   1HE   LYS  20          HE2       LYS  20 -15.395  -4.939   4.549
  115   2HE   LYS  20          HE1       LYS  20 -14.832  -4.076   3.118
  116   1HZ   LYS  20          HZ1       LYS  20 -12.840  -5.860   4.045
  117   2HZ   LYS  20          HZ2       LYS  20 -13.613  -5.813   2.533
  118   3HZ   LYS  20          HZ3       LYS  20 -14.296  -6.697   3.812
  119    H    LEU  21           H        LEU  21 -12.071  -0.947   2.108
  120    HA   LEU  21           HA       LEU  21 -11.928   1.189   0.317
  121   1HB   LEU  21          HB2       LEU  21 -11.324  -1.725   0.142
  122   2HB   LEU  21          HB1       LEU  21 -11.380  -0.822  -1.370
  123    HG   LEU  21           HG       LEU  21  -9.883   0.422   0.884
  124   1HD1  LEU  21          1HD1      LEU  21  -9.377  -2.201   0.502
  125   2HD1  LEU  21          2HD1      LEU  21  -8.112  -1.039   0.900
  126   3HD1  LEU  21          3HD1      LEU  21  -8.367  -1.527  -0.776
  127   1HD2  LEU  21          1HD2      LEU  21  -9.775   0.277  -2.116
  128   2HD2  LEU  21          2HD2      LEU  21  -8.326   0.741  -1.222
  129   3HD2  LEU  21          3HD2      LEU  21  -9.800   1.698  -1.072
  130    H    ARG  22           H        ARG  22 -13.525   2.091  -0.891
  131    HA   ARG  22           HA       ARG  22 -15.881   0.492  -1.635
  132   1HB   ARG  22          HB2       ARG  22 -15.767   3.036  -0.894
  133   2HB   ARG  22          HB1       ARG  22 -15.476   3.293  -2.613
  134   1HG   ARG  22          HG2       ARG  22 -17.573   1.443  -2.529
  135   2HG   ARG  22          HG1       ARG  22 -17.956   2.613  -1.267
  136   1HD   ARG  22          HD2       ARG  22 -17.042   4.182  -3.384
  137   2HD   ARG  22          HD1       ARG  22 -18.021   2.940  -4.163
  138    HE   ARG  22           HE       ARG  22 -19.599   3.780  -2.052
  139   1HH1  ARG  22          1HH1      ARG  22 -18.176   6.412  -2.343
  140   2HH1  ARG  22          2HH1      ARG  22 -19.175   7.236  -3.494
  141   1HH2  ARG  22          1HH2      ARG  22 -20.800   4.354  -4.536
  142   2HH2  ARG  22          2HH2      ARG  22 -20.665   6.070  -4.734
  143    HA   PRO  23           HA       PRO  23 -14.116   1.426  -5.966
  144   1HB   PRO  23          HB2       PRO  23 -11.623   2.567  -6.122
  145   2HB   PRO  23          HB1       PRO  23 -13.122   3.508  -6.040
  146   1HG   PRO  23          HG2       PRO  23 -11.062   3.088  -3.937
  147   2HG   PRO  23          HG1       PRO  23 -12.236   4.402  -4.110
  148   1HD   PRO  23          HD2       PRO  23 -12.425   2.166  -2.349
  149   2HD   PRO  23          HD1       PRO  23 -13.681   3.378  -2.665
  150    H    GLY  24           H        GLY  24 -11.596   0.913  -7.086
  151   1HA   GLY  24          HA2       GLY  24 -11.084  -1.818  -6.053
  152   2HA   GLY  24          HA1       GLY  24 -10.547  -1.190  -7.612
  153    H    ALA  25           H        ALA  25 -10.113   0.821  -4.831
  154    HA   ALA  25           HA       ALA  25  -7.261   0.942  -5.211
  155   1HB   ALA  25          HB1       ALA  25  -8.037   2.894  -4.242
  156   2HB   ALA  25          HB2       ALA  25  -7.514   2.041  -2.789
  157   3HB   ALA  25          HB3       ALA  25  -9.218   2.051  -3.240
  158    H    GLN  26           H        GLN  26  -5.598   0.130  -3.809
  159    HA   GLN  26           HA       GLN  26  -6.167  -2.505  -2.725
  160   1HB   GLN  26          HB2       GLN  26  -3.802  -0.863  -3.291
  161   2HB   GLN  26          HB1       GLN  26  -3.642  -1.827  -1.823
  162   1HG   GLN  26          HG2       GLN  26  -2.867  -3.104  -3.781
  163   2HG   GLN  26          HG1       GLN  26  -4.307  -3.849  -3.085
  164   1HE2  GLN  26          1HE2      GLN  26  -2.985  -2.926  -6.019
  165   2HE2  GLN  26          2HE2      GLN  26  -4.416  -2.750  -6.915
  166    H    CYS  27           H        CYS  27  -5.117   0.590  -1.246
  167    HA   CYS  27           HA       CYS  27  -6.297  -0.429   1.299
  168   1HB   CYS  27          HB2       CYS  27  -4.375  -0.077   2.431
  169   2HB   CYS  27          HB1       CYS  27  -3.593   0.048   0.863
  170    H    GLY  28           H        GLY  28  -7.399   1.137   2.566
  171   1HA   GLY  28          HA2       GLY  28  -8.373   3.426   1.005
  172   2HA   GLY  28          HA1       GLY  28  -9.020   2.883   2.552
  173    H    GLU  29           H        GLU  29  -6.128   2.770   3.555
  174    HA   GLU  29           HA       GLU  29  -5.278   5.569   3.566
  175   1HB   GLU  29          HB2       GLU  29  -7.162   5.563   5.201
  176   2HB   GLU  29          HB1       GLU  29  -6.317   4.325   6.129
  177   1HG   GLU  29          HG2       GLU  29  -4.868   6.855   5.429
  178   2HG   GLU  29          HG1       GLU  29  -6.029   6.873   6.758
  179    H    GLY  30           H        GLY  30  -3.173   5.795   4.488
  180   1HA   GLY  30          HA2       GLY  30  -1.716   4.104   6.094
  181   2HA   GLY  30          HA1       GLY  30  -1.622   3.315   4.520
  182    H    LEU  31           H        LEU  31   0.772   4.088   5.380
  183    HA   LEU  31           HA       LEU  31   1.288   6.784   4.216
  184   1HB   LEU  31          HB2       LEU  31   3.688   6.103   5.200
  185   2HB   LEU  31          HB1       LEU  31   2.456   6.860   6.203
  186    HG   LEU  31           HG       LEU  31   1.672   4.555   6.841
  187   1HD1  LEU  31          1HD1      LEU  31   2.434   2.870   5.538
  188   2HD1  LEU  31          2HD1      LEU  31   3.987   3.061   6.336
  189   3HD1  LEU  31          3HD1      LEU  31   3.672   3.898   4.827
  190   1HD2  LEU  31          1HD2      LEU  31   3.198   5.924   8.256
  191   2HD2  LEU  31          2HD2      LEU  31   4.577   5.173   7.456
  192   3HD2  LEU  31          3HD2      LEU  31   3.487   4.195   8.439
  193    H    CYS  32           H        CYS  32   1.765   3.388   3.923
  194    HA   CYS  32           HA       CYS  32   3.635   3.651   1.643
  195   1HB   CYS  32          HB2       CYS  32   2.397   1.279   3.072
  196   2HB   CYS  32          HB1       CYS  32   3.453   1.125   1.667
  197    H    CYS  33           H        CYS  33   0.806   4.655   1.610
  198    HA   CYS  33           HA       CYS  33  -0.265   2.919  -0.570
  199   1HB   CYS  33          HB2       CYS  33  -1.641   4.652   1.489
  200   2HB   CYS  33          HB1       CYS  33  -2.477   4.059   0.059
  201    H    GLU  34           H        GLU  34   0.562   3.921  -2.395
  202    HA   GLU  34           HA       GLU  34   0.275   6.873  -2.629
  203   1HB   GLU  34          HB2       GLU  34   2.484   5.785  -3.179
  204   2HB   GLU  34          HB1       GLU  34   1.678   4.947  -4.507
  205   1HG   GLU  34          HG2       GLU  34   1.106   7.052  -5.566
  206   2HG   GLU  34          HG1       GLU  34   1.718   7.961  -4.185
  207    H    GLN  35           H        GLN  35  -1.562   7.560  -3.625
  208    HA   GLN  35           HA       GLN  35  -3.336   7.623  -5.168
  209   1HB   GLN  35          HB2       GLN  35  -1.252   6.296  -6.537
  210   2HB   GLN  35          HB1       GLN  35  -2.689   5.296  -6.765
  211   1HG   GLN  35          HG2       GLN  35  -3.855   6.979  -7.866
  212   2HG   GLN  35          HG1       GLN  35  -2.920   8.267  -7.105
  213   1HE2  GLN  35          1HE2      GLN  35  -2.990   6.003  -9.796
  214   2HE2  GLN  35          2HE2      GLN  35  -1.601   6.595 -10.574
  215    H    CYS  36           H        CYS  36  -3.276   5.991  -2.726
  216    HA   CYS  36           HA       CYS  36  -4.690   4.477  -1.640
  217   1HB   CYS  36          HB2       CYS  36  -6.158   5.018  -4.191
  218   2HB   CYS  36          HB1       CYS  36  -6.658   3.648  -3.212
  219    H    LYS  37           H        LYS  37  -2.515   3.731  -3.808
  220    HA   LYS  37           HA       LYS  37  -3.307   0.857  -4.016
  221   1HB   LYS  37          HB2       LYS  37  -2.638   2.435  -6.081
  222   2HB   LYS  37          HB1       LYS  37  -1.018   1.935  -5.594
  223   1HG   LYS  37          HG2       LYS  37  -1.515  -0.366  -5.908
  224   2HG   LYS  37          HG1       LYS  37  -3.252  -0.061  -5.969
  225   1HD   LYS  37          HD2       LYS  37  -2.567   1.470  -8.028
  226   2HD   LYS  37          HD1       LYS  37  -1.172   0.390  -8.074
  227   1HE   LYS  37          HE2       LYS  37  -2.557  -0.923  -9.328
  228   2HE   LYS  37          HE1       LYS  37  -3.185  -1.414  -7.755
  229   1HZ   LYS  37          HZ1       LYS  37  -4.266   0.713  -9.518
  230   2HZ   LYS  37          HZ2       LYS  37  -4.809   0.418  -7.937
  231   3HZ   LYS  37          HZ3       LYS  37  -5.002  -0.767  -9.138
  232    H    PHE  38           H        PHE  38  -1.890  -0.694  -3.195
  233    HA   PHE  38           HA       PHE  38  -0.243  -0.086  -1.016
  234   1HB   PHE  38          HB2       PHE  38  -0.200  -2.394  -2.968
  235   2HB   PHE  38          HB1       PHE  38   0.908  -2.321  -1.598
  236    HD1  PHE  38           HD2      PHE  38  -0.717  -1.101   0.509
  237    HD2  PHE  38           HD1      PHE  38  -1.800  -4.033  -2.439
  238    HE1  PHE  38           HE2      PHE  38  -2.510  -1.943   2.003
  239    HE2  PHE  38           HE1      PHE  38  -3.592  -4.872  -0.944
  240    HZ   PHE  38           HZ       PHE  38  -3.947  -3.828   1.275
  241    H    SER  39           H        SER  39   1.321   1.468  -1.187
  242    HA   SER  39           HA       SER  39   2.817   2.293  -3.351
  243   1HB   SER  39          HB2       SER  39   2.967   3.285  -1.069
  244   2HB   SER  39          HB1       SER  39   3.922   1.899  -0.552
  245    HG   SER  39           HG       SER  39   4.554   3.910  -2.435
  246    H    ARG  40           H        ARG  40   5.176   1.813  -3.857
  247    HA   ARG  40           HA       ARG  40   5.473  -1.088  -4.218
  248   1HB   ARG  40          HB2       ARG  40   6.439   1.276  -5.530
  249   2HB   ARG  40          HB1       ARG  40   7.818   0.284  -5.054
  250   1HG   ARG  40          HG2       ARG  40   7.102  -1.552  -6.320
  251   2HG   ARG  40          HG1       ARG  40   5.431  -0.990  -6.368
  252   1HD   ARG  40          HD2       ARG  40   7.389   0.861  -7.581
  253   2HD   ARG  40          HD1       ARG  40   7.206  -0.679  -8.423
  254    HE   ARG  40           HE       ARG  40   5.325   1.435  -8.540
  255   1HH1  ARG  40          1HH2      ARG  40   5.684  -1.739  -9.372
  256   2HH1  ARG  40          2HH2      ARG  40   4.006  -2.163  -9.287
  257   1HH2  ARG  40          1HH1      ARG  40   3.060   0.814  -7.781
  258   2HH2  ARG  40          2HH1      ARG  40   2.521  -0.720  -8.380
  259    H    ALA  41           H        ALA  41   7.470  -2.199  -3.579
  260    HA   ALA  41           HA       ALA  41   8.147  -1.745  -0.836
  261   1HB   ALA  41          HB1       ALA  41   8.619  -3.759  -2.749
  262   2HB   ALA  41          HB2       ALA  41   9.080  -3.791  -1.047
  263   3HB   ALA  41          HB3       ALA  41  10.217  -3.200  -2.257
  264    H    GLY  42           H        GLY  42  10.407  -1.280  -0.066
  265   1HA   GLY  42          HA2       GLY  42  12.361   0.038  -0.078
  266   2HA   GLY  42          HA1       GLY  42  12.186   0.196  -1.828
  267    H    LYS  43           H        LYS  43   9.489   0.952   0.254
  268    HA   LYS  43           HA       LYS  43   9.851   3.832  -0.494
  269   1HB   LYS  43          HB2       LYS  43   7.760   3.097  -1.314
  270   2HB   LYS  43          HB1       LYS  43   7.419   2.168   0.140
  271   1HG   LYS  43          HG2       LYS  43   6.101   4.273   0.054
  272   2HG   LYS  43          HG1       LYS  43   7.191   4.237   1.439
  273   1HD   LYS  43          HD2       LYS  43   8.807   5.627   0.271
  274   2HD   LYS  43          HD1       LYS  43   7.840   5.575  -1.202
  275   1HE   LYS  43          HE2       LYS  43   6.113   6.890  -0.251
  276   2HE   LYS  43          HE1       LYS  43   6.707   6.630   1.388
  277   1HZ   LYS  43          HZ1       LYS  43   7.694   8.597   1.096
  278   2HZ   LYS  43          HZ2       LYS  43   7.554   8.542  -0.597
  279   3HZ   LYS  43          HZ3       LYS  43   8.835   7.741   0.180
  280    H    ILE  44           H        ILE  44  10.790   4.963   1.117
  281    HA   ILE  44           HA       ILE  44  11.120   4.209   3.782
  282    HB   ILE  44           HB       ILE  44  11.377   6.677   2.224
  283   1HG1  ILE  44          2HG1      ILE  44  13.217   5.166   2.973
  284   2HG1  ILE  44          1HG1      ILE  44  13.448   6.835   3.494
  285   1HG2  ILE  44          1HG2      ILE  44  10.622   6.855   5.148
  286   2HG2  ILE  44          2HG2      ILE  44   9.938   7.753   3.792
  287   3HG2  ILE  44          3HG2      ILE  44  11.576   8.101   4.343
  288   1HD1  ILE  44          1HD1      ILE  44  12.036   5.888   5.604
  289   2HD1  ILE  44          2HD1      ILE  44  13.798   5.851   5.530
  290   3HD1  ILE  44          3HD1      ILE  44  12.867   4.413   5.110
  291    H    CYS  45           H        CYS  45   9.459   3.536   5.059
  292    HA   CYS  45           HA       CYS  45   7.010   5.253   5.201
  293   1HB   CYS  45          HB2       CYS  45   5.813   3.331   5.983
  294   2HB   CYS  45          HB1       CYS  45   6.733   2.811   4.591
  295    H    ARG  46           H        ARG  46   9.876   4.614   6.791
  296    HA   ARG  46           HA       ARG  46   8.902   5.955   9.214
  297   1HB   ARG  46          HB2       ARG  46   9.322   3.067   9.109
  298   2HB   ARG  46          HB1       ARG  46  10.342   3.840  10.323
  299   1HG   ARG  46          HG2       ARG  46   8.371   4.953  11.291
  300   2HG   ARG  46          HG1       ARG  46   7.341   4.204  10.069
  301   1HD   ARG  46          HD2       ARG  46   7.677   2.034  10.949
  302   2HD   ARG  46          HD1       ARG  46   9.095   2.535  11.870
  303    HE   ARG  46           HE       ARG  46   7.622   3.103  13.606
  304   1HH1  ARG  46          1HH2      ARG  46   6.322   5.362  12.190
  305   2HH1  ARG  46          2HH2      ARG  46   4.664   4.865  12.125
  306   1HH2  ARG  46          1HH1      ARG  46   5.360   1.538  12.813
  307   2HH2  ARG  46          2HH1      ARG  46   4.119   2.699  12.478
  308    H    ILE  47           H        ILE  47  10.439   7.504   9.434
  309    HA   ILE  47           HA       ILE  47  13.291   6.684   9.055
  310    HB   ILE  47           HB       ILE  47  12.456   8.127   7.196
  311   1HG1  ILE  47          2HG1      ILE  47  14.306   9.711   7.280
  312   2HG1  ILE  47          1HG1      ILE  47  14.428   9.526   9.030
  313   1HG2  ILE  47          1HG2      ILE  47  11.157   9.470   9.289
  314   2HG2  ILE  47          2HG2      ILE  47  11.220   9.970   7.598
  315   3HG2  ILE  47          3HG2      ILE  47  12.410  10.587   8.746
  316   1HD1  ILE  47          1HD1      ILE  47  14.751   7.221   7.094
  317   2HD1  ILE  47          2HD1      ILE  47  15.118   7.232   8.818
  318   3HD1  ILE  47          3HD1      ILE  47  16.107   8.171   7.701
  319    HA   PRO  48           HA       PRO  48  12.648   8.452  13.270
  320   1HB   PRO  48          HB2       PRO  48  13.781   6.322  14.593
  321   2HB   PRO  48          HB1       PRO  48  12.058   6.424  14.194
  322   1HG   PRO  48          HG2       PRO  48  14.181   4.764  12.920
  323   2HG   PRO  48          HG1       PRO  48  12.435   4.476  13.012
  324   1HD   PRO  48          HD2       PRO  48  13.835   5.462  10.757
  325   2HD   PRO  48          HD1       PRO  48  12.072   5.476  10.982
  326    H    ARG  49           H        ARG  49  14.236   9.899  13.809
  327    HA   ARG  49           HA       ARG  49  16.975   9.548  12.877
  328   1HB   ARG  49          HB2       ARG  49  15.881  11.619  14.804
  329   2HB   ARG  49          HB1       ARG  49  17.382  11.722  13.882
  330   1HG   ARG  49          HG2       ARG  49  15.237  11.166  12.064
  331   2HG   ARG  49          HG1       ARG  49  14.777  12.538  13.073
  332   1HD   ARG  49          HD2       ARG  49  17.569  12.619  12.139
  333   2HD   ARG  49          HD1       ARG  49  16.372  12.715  10.847
  334    HE   ARG  49           HE       ARG  49  15.710  14.501  13.024
  335   1HH1  ARG  49          1HH1      ARG  49  18.289  14.104  10.835
  336   2HH1  ARG  49          2HH1      ARG  49  18.274  15.746  10.282
  337   1HH2  ARG  49          1HH2      ARG  49  15.439  16.605  12.086
  338   2HH2  ARG  49          2HH2      ARG  49  16.659  17.163  10.992
  339    H    GLY  50           H        GLY  50  18.309  10.690  15.180
  340   1HA   GLY  50          HA2       GLY  50  19.226  10.063  17.262
  341   2HA   GLY  50          HA1       GLY  50  17.878   8.946  17.468
  342    H    ASP  51           H        ASP  51  19.857   8.868  14.583
  343    HA   ASP  51           HA       ASP  51  21.322   7.226  13.767
  344   1HB   ASP  51          HB2       ASP  51  21.871   7.368  16.667
  345   2HB   ASP  51          HB1       ASP  51  22.338   5.848  15.904
  346    H    MET  52           H        MET  52  19.010   6.343  13.247
  347    HA   MET  52           HA       MET  52  18.862   3.585  14.378
  348   1HB   MET  52          HB2       MET  52  16.826   5.702  14.449
  349   2HB   MET  52          HB1       MET  52  16.236   4.190  13.759
  350   1HG   MET  52          HG2       MET  52  15.955   3.510  15.899
  351   2HG   MET  52          HG1       MET  52  17.710   3.332  15.937
  352   1HE   MET  52          HE1       MET  52  14.920   5.471  18.205
  353   2HE   MET  52          HE2       MET  52  16.118   4.543  19.104
  354   3HE   MET  52          HE3       MET  52  15.302   3.811  17.725
  355    HA   PRO  53           HA       PRO  53  18.389   2.295  10.210
  356   1HB   PRO  53          HB2       PRO  53  16.626   0.203  10.478
  357   2HB   PRO  53          HB1       PRO  53  18.321   0.123  10.989
  358   1HG   PRO  53          HG2       PRO  53  15.867   0.378  12.665
  359   2HG   PRO  53          HG1       PRO  53  17.442  -0.316  13.082
  360   1HD   PRO  53          HD2       PRO  53  16.508   2.250  13.834
  361   2HD   PRO  53          HD1       PRO  53  18.184   1.671  13.955
  362    H    ASP  54           H        ASP  54  16.862   2.188   8.382
  363    HA   ASP  54           HA       ASP  54  14.479   3.897   8.852
  364   1HB   ASP  54          HB2       ASP  54  15.508   2.981   6.166
  365   2HB   ASP  54          HB1       ASP  54  14.558   4.420   6.545
  366    H    ASP  55           H        ASP  55  12.595   3.252   7.237
  367    HA   ASP  55           HA       ASP  55  12.273   0.294   7.162
  368   1HB   ASP  55          HB2       ASP  55  11.090   1.827   9.134
  369   2HB   ASP  55          HB1       ASP  55   9.822   1.732   7.911
  370    H    ARG  56           H        ARG  56  12.109   0.034   4.972
  371    HA   ARG  56           HA       ARG  56  10.535   1.994   3.396
  372   1HB   ARG  56          HB2       ARG  56  12.036  -0.370   2.294
  373   2HB   ARG  56          HB1       ARG  56  11.607   1.133   1.485
  374   1HG   ARG  56          HG2       ARG  56  13.086   2.072   3.583
  375   2HG   ARG  56          HG1       ARG  56  13.896   0.540   3.248
  376   1HD   ARG  56          HD2       ARG  56  14.235   1.152   0.931
  377   2HD   ARG  56          HD1       ARG  56  13.252   2.604   1.123
  378    HE   ARG  56           HE       ARG  56  15.052   3.457   2.659
  379   1HH1  ARG  56          1HH1      ARG  56  15.855   2.515  -0.310
  380   2HH1  ARG  56          2HH1      ARG  56  17.481   2.014   0.023
  381   1HH2  ARG  56          1HH2      ARG  56  17.081   2.086   3.467
  382   2HH2  ARG  56          2HH2      ARG  56  18.174   1.773   2.159
  383    H    CYS  57           H        CYS  57   8.602   1.490   2.444
  384    HA   CYS  57           HA       CYS  57   6.972  -0.578   3.420
  385   1HB   CYS  57          HB2       CYS  57   6.764   0.509   0.605
  386   2HB   CYS  57          HB1       CYS  57   5.462  -0.083   1.635
  387    H    THR  58           H        THR  58   6.277  -2.572   2.391
  388    HA   THR  58           HA       THR  58   8.519  -3.915   1.005
  389    HB   THR  58           HB       THR  58   7.586  -5.951   1.732
  390    HG1  THR  58           HG1      THR  58   5.180  -4.525   2.201
  391   1HG2  THR  58          1HG2      THR  58   7.873  -5.599   3.941
  392   2HG2  THR  58          2HG2      THR  58   6.432  -4.585   4.034
  393   3HG2  THR  58          3HG2      THR  58   7.976  -3.881   3.554
  394    H    GLY  59           H        GLY  59   6.106  -2.097  -0.075
  395   1HA   GLY  59          HA2       GLY  59   5.368  -1.951  -2.339
  396   2HA   GLY  59          HA1       GLY  59   5.944  -3.594  -2.607
  397    H    GLN  60           H        GLN  60   4.367  -4.091   0.108
  398    HA   GLN  60           HA       GLN  60   1.673  -4.249  -1.177
  399   1HB   GLN  60          HB2       GLN  60   1.364  -6.482  -0.351
  400   2HB   GLN  60          HB1       GLN  60   2.929  -6.454  -1.165
  401   1HG   GLN  60          HG2       GLN  60   3.650  -5.721   1.367
  402   2HG   GLN  60          HG1       GLN  60   2.304  -6.812   1.700
  403   1HE2  GLN  60          1HE2      GLN  60   5.498  -7.005   1.695
  404   2HE2  GLN  60          2HE2      GLN  60   5.751  -8.523   0.980
  405    H    SER  61           H        SER  61   3.498  -3.221   1.491
  406    HA   SER  61           HA       SER  61   1.281  -3.514   3.421
  407   1HB   SER  61          HB2       SER  61   3.435  -3.764   4.397
  408   2HB   SER  61          HB1       SER  61   4.053  -2.328   3.587
  409    HG   SER  61           HG       SER  61   3.042  -1.080   5.004
  410    H    ALA  62           H        ALA  62  -0.136  -1.899   3.978
  411    HA   ALA  62           HA       ALA  62  -0.106   0.558   2.346
  412   1HB   ALA  62          HB1       ALA  62  -2.200   0.915   4.017
  413   2HB   ALA  62          HB2       ALA  62  -2.067  -0.841   4.094
  414   3HB   ALA  62          HB3       ALA  62  -2.315  -0.041   2.541
  415    H    ASP  63           H        ASP  63   0.011  -0.351   5.788
  416    HA   ASP  63           HA       ASP  63   0.808   2.433   6.462
  417   1HB   ASP  63          HB2       ASP  63   0.286   0.112   8.345
  418   2HB   ASP  63          HB1       ASP  63   0.403   1.822   8.767
  419    H    CYS  64           H        CYS  64   2.649   2.501   8.183
  420    HA   CYS  64           HA       CYS  64   4.900   0.994   7.037
  421   1HB   CYS  64          HB2       CYS  64   5.137   3.413   7.554
  422   2HB   CYS  64          HB1       CYS  64   4.871   3.063   9.245
  423    HA   PRO  65           HA       PRO  65   4.375  -2.002  10.274
  424   1HB   PRO  65          HB2       PRO  65   6.034  -3.815   9.076
  425   2HB   PRO  65          HB1       PRO  65   4.340  -3.616   8.631
  426   1HG   PRO  65          HG2       PRO  65   6.792  -2.805   7.165
  427   2HG   PRO  65          HG1       PRO  65   5.164  -3.115   6.541
  428   1HD   PRO  65          HD2       PRO  65   6.336  -0.572   7.009
  429   2HD   PRO  65          HD1       PRO  65   4.637  -0.901   6.620
  430    H    ARG  66           H        ARG  66   6.423  -3.643  11.061
  431    HA   ARG  66           HA       ARG  66   8.494  -1.704  11.992
  432   1HB   ARG  66          HB2       ARG  66   7.691  -4.379  13.181
  433   2HB   ARG  66          HB1       ARG  66   8.828  -3.226  13.883
  434   1HG   ARG  66          HG2       ARG  66   6.981  -1.530  13.946
  435   2HG   ARG  66          HG1       ARG  66   5.867  -2.787  13.410
  436   1HD   ARG  66          HD2       ARG  66   7.457  -2.717  15.984
  437   2HD   ARG  66          HD1       ARG  66   5.703  -2.696  15.805
  438    HE   ARG  66           HE       ARG  66   7.436  -5.064  15.591
  439   1HH1  ARG  66          1HH1      ARG  66   4.815  -4.915  17.087
  440   2HH1  ARG  66          2HH1      ARG  66   3.764  -5.815  16.044
  441   1HH2  ARG  66          1HH2      ARG  66   5.907  -5.665  13.321
  442   2HH2  ARG  66          2HH2      ARG  66   4.384  -6.243  13.913
  443    H    TYR  67           H        TYR  67  10.722  -2.441  12.027
  444    HA   TYR  67           HA       TYR  67  11.235  -4.664  10.090
  445   1HB   TYR  67          HB2       TYR  67  11.909  -2.494   9.176
  446   2HB   TYR  67          HB1       TYR  67  12.862  -2.159  10.622
  447    HD1  TYR  67           HD1      TYR  67  12.639  -5.549   9.212
  448    HD2  TYR  67           HD2      TYR  67  14.964  -1.939   9.377
  449    HE1  TYR  67           HE1      TYR  67  14.570  -6.746   8.218
  450    HE2  TYR  67           HE2      TYR  67  16.894  -3.137   8.382
  451    HH   TYR  67           HH       TYR  67  17.166  -6.407   8.268
  452    H    HIS  68           H        HIS  68  11.495  -6.307  11.644
  453    HA   HIS  68           HA       HIS  68  13.165  -5.941  13.996
  454   1HB   HIS  68          HB2       HIS  68  11.285  -7.823  13.162
  455   2HB   HIS  68          HB1       HIS  68  12.810  -8.709  13.141
  456    HD1  HIS  68           HD1      HIS  68  11.112  -6.229  15.507
  457    HD2  HIS  68           HD2      HIS  68  13.379  -9.724  15.634
  458    HE1  HIS  68           HE1      HIS  68  11.361  -6.834  17.955
  Start of MODEL   14
    1   1H    GLY   1          HT1       GLY   1  -7.022  -6.110   7.097
    2   2H    GLY   1          HT2       GLY   1  -5.997  -4.884   7.677
    3   3H    GLY   1          HT3       GLY   1  -6.920  -4.631   6.272
    4   1HA   GLY   1          HA1       GLY   1  -7.677  -4.401   9.052
    5   2HA   GLY   1          HA2       GLY   1  -8.345  -3.595   7.633
    6    H    LYS   2           H        LYS   2  -9.390  -5.429  10.001
    7    HA   LYS   2           HA       LYS   2 -10.704  -7.587   8.524
    8   1HB   LYS   2          HB2       LYS   2 -11.114  -6.563  11.350
    9   2HB   LYS   2          HB1       LYS   2 -11.837  -8.031  10.690
   10   1HG   LYS   2          HG2       LYS   2  -9.972  -9.163  11.232
   11   2HG   LYS   2          HG1       LYS   2  -9.056  -8.148  10.117
   12   1HD   LYS   2          HD2       LYS   2  -8.010  -7.181  11.855
   13   2HD   LYS   2          HD1       LYS   2  -9.562  -6.618  12.474
   14   1HE   LYS   2          HE2       LYS   2  -9.287  -8.019  14.214
   15   2HE   LYS   2          HE1       LYS   2  -9.483  -9.358  13.083
   16   1HZ   LYS   2          HZ1       LYS   2  -7.385  -9.894  13.468
   17   2HZ   LYS   2          HZ2       LYS   2  -7.163  -8.529  14.454
   18   3HZ   LYS   2          HZ3       LYS   2  -6.892  -8.425  12.781
   19    H    GLU   3           H        GLU   3 -11.895  -4.702  10.297
   20    HA   GLU   3           HA       GLU   3 -14.218  -4.699   8.412
   21   1HB   GLU   3          HB2       GLU   3 -14.087  -4.496  11.361
   22   2HB   GLU   3          HB1       GLU   3 -15.153  -3.330  10.577
   23   1HG   GLU   3          HG2       GLU   3 -15.860  -5.548   9.213
   24   2HG   GLU   3          HG1       GLU   3 -15.384  -6.288  10.743
   25    H    CYS   4           H        CYS   4 -11.624  -2.919   9.820
   26    HA   CYS   4           HA       CYS   4 -12.654  -0.452   8.480
   27   1HB   CYS   4          HB2       CYS   4 -11.462  -0.881  11.136
   28   2HB   CYS   4          HB1       CYS   4 -10.723   0.440  10.232
   29    H    ASP   5           H        ASP   5 -11.518  -0.095   6.635
   30    HA   ASP   5           HA       ASP   5  -8.688  -1.028   6.527
   31   1HB   ASP   5          HB2       ASP   5 -10.615  -1.600   4.767
   32   2HB   ASP   5          HB1       ASP   5 -10.117  -0.047   4.093
   33    H    CYS   6           H        CYS   6 -10.390   1.731   7.187
   34    HA   CYS   6           HA       CYS   6  -8.049   3.409   6.531
   35   1HB   CYS   6          HB2       CYS   6  -9.309   5.083   5.340
   36   2HB   CYS   6          HB1       CYS   6  -9.644   3.535   4.565
   37    H    SER   7           H        SER   7  -7.670   4.772   8.222
   38    HA   SER   7           HA       SER   7  -9.456   4.749  10.508
   39   1HB   SER   7          HB2       SER   7  -6.826   6.001   9.840
   40   2HB   SER   7          HB1       SER   7  -7.749   6.685  11.177
   41    HG   SER   7           HG       SER   7  -6.208   4.700  11.396
   42    H    SER   8           H        SER   8  -9.138   6.752   7.705
   43    HA   SER   8           HA       SER   8 -10.710   8.917   9.005
   44   1HB   SER   8          HB2       SER   8  -9.277   8.807   6.339
   45   2HB   SER   8          HB1       SER   8 -10.211  10.189   6.908
   46    HG   SER   8           HG       SER   8  -7.693   9.460   7.512
   47    HA   PRO   9           HA       PRO   9 -14.258   7.196   6.934
   48   1HB   PRO   9          HB2       PRO   9 -16.034   9.094   7.828
   49   2HB   PRO   9          HB1       PRO   9 -15.466   7.741   8.822
   50   1HG   PRO   9          HG2       PRO   9 -14.711  10.622   8.967
   51   2HG   PRO   9          HG1       PRO   9 -14.690   9.392  10.241
   52   1HD   PRO   9          HD2       PRO   9 -12.437  10.334   8.804
   53   2HD   PRO   9          HD1       PRO   9 -12.489   8.894   9.844
   54    H    GLU  10           H        GLU  10 -13.622  10.714   6.857
   55    HA   GLU  10           HA       GLU  10 -15.202  11.357   4.598
   56   1HB   GLU  10          HB2       GLU  10 -13.809  13.331   4.373
   57   2HB   GLU  10          HB1       GLU  10 -14.026  13.007   6.094
   58   1HG   GLU  10          HG2       GLU  10 -11.789  11.504   5.463
   59   2HG   GLU  10          HG1       GLU  10 -11.576  12.957   4.483
   60    H    ASN  11           H        ASN  11 -12.185   9.654   4.850
   61    HA   ASN  11           HA       ASN  11 -11.013   9.985   2.345
   62   1HB   ASN  11          HB2       ASN  11 -10.054   8.555   4.091
   63   2HB   ASN  11          HB1       ASN  11 -11.375   7.403   3.893
   64   1HD2  ASN  11          1HD2      ASN  11  -9.465   5.882   3.377
   65   2HD2  ASN  11          2HD2      ASN  11  -8.914   5.841   1.772
   66    HA   PRO  12           HA       PRO  12 -14.493   8.592  -0.133
   67   1HB   PRO  12          HB2       PRO  12 -13.428   9.453  -2.518
   68   2HB   PRO  12          HB1       PRO  12 -14.275  10.514  -1.380
   69   1HG   PRO  12          HG2       PRO  12 -11.349  10.300  -1.923
   70   2HG   PRO  12          HG1       PRO  12 -12.285  11.689  -1.344
   71   1HD   PRO  12          HD2       PRO  12 -10.678  10.005   0.258
   72   2HD   PRO  12          HD1       PRO  12 -11.897  11.154   0.852
   73    H    CYS  13           H        CYS  13 -11.434   7.335   0.173
   74    HA   CYS  13           HA       CYS  13 -11.720   5.469  -2.130
   75   1HB   CYS  13          HB2       CYS  13  -9.455   6.435  -0.478
   76   2HB   CYS  13          HB1       CYS  13  -9.382   4.739  -0.949
   77    H    CYS  14           H        CYS  14 -12.760   5.643   0.989
   78    HA   CYS  14           HA       CYS  14 -12.896   2.684   1.152
   79   1HB   CYS  14          HB2       CYS  14 -12.192   2.614   3.445
   80   2HB   CYS  14          HB1       CYS  14 -10.978   3.550   2.577
   81    H    ASP  15           H        ASP  15 -14.972   2.107   1.475
   82    HA   ASP  15           HA       ASP  15 -17.135   3.860   1.718
   83   1HB   ASP  15          HB2       ASP  15 -17.016   1.250   1.328
   84   2HB   ASP  15          HB1       ASP  15 -17.266   1.185   3.073
   85    H    ALA  16           H        ALA  16 -17.747   5.190   3.356
   86    HA   ALA  16           HA       ALA  16 -16.443   5.113   5.936
   87   1HB   ALA  16          HB1       ALA  16 -17.257   7.208   6.051
   88   2HB   ALA  16          HB2       ALA  16 -18.914   6.601   6.003
   89   3HB   ALA  16          HB3       ALA  16 -18.056   6.944   4.500
   90    H    ALA  17           H        ALA  17 -19.482   3.882   4.658
   91    HA   ALA  17           HA       ALA  17 -20.701   3.300   7.199
   92   1HB   ALA  17          HB1       ALA  17 -22.080   1.672   5.833
   93   2HB   ALA  17          HB2       ALA  17 -21.094   2.112   4.439
   94   3HB   ALA  17          HB3       ALA  17 -22.095   3.328   5.232
   95    H    THR  18           H        THR  18 -18.944   1.210   4.880
   96    HA   THR  18           HA       THR  18 -18.748  -0.912   6.908
   97    HB   THR  18           HB       THR  18 -17.787  -2.251   5.178
   98    HG1  THR  18           HG1      THR  18 -16.265  -0.835   4.385
   99   1HG2  THR  18          1HG2      THR  18 -20.020  -2.162   4.599
  100   2HG2  THR  18          2HG2      THR  18 -19.307  -1.486   3.136
  101   3HG2  THR  18          3HG2      THR  18 -19.996  -0.415   4.354
  102    H    CYS  19           H        CYS  19 -16.954   1.835   5.951
  103    HA   CYS  19           HA       CYS  19 -14.895   2.665   6.710
  104   1HB   CYS  19          HB2       CYS  19 -15.720   1.875   8.918
  105   2HB   CYS  19          HB1       CYS  19 -15.015   0.292   8.596
  106    H    LYS  20           H        LYS  20 -15.072   0.626   4.540
  107    HA   LYS  20           HA       LYS  20 -12.236  -0.298   4.712
  108   1HB   LYS  20          HB2       LYS  20 -14.698  -1.876   4.091
  109   2HB   LYS  20          HB1       LYS  20 -13.222  -2.261   3.203
  110   1HG   LYS  20          HG2       LYS  20 -12.717  -1.899   6.054
  111   2HG   LYS  20          HG1       LYS  20 -13.889  -3.181   5.749
  112   1HD   LYS  20          HD2       LYS  20 -11.456  -3.100   4.021
  113   2HD   LYS  20          HD1       LYS  20 -11.259  -3.654   5.686
  114   1HE   LYS  20          HE2       LYS  20 -12.686  -5.481   5.385
  115   2HE   LYS  20          HE1       LYS  20 -13.497  -4.747   4.001
  116   1HZ   LYS  20          HZ1       LYS  20 -11.547  -6.594   3.840
  117   2HZ   LYS  20          HZ2       LYS  20 -10.668  -5.153   3.636
  118   3HZ   LYS  20          HZ3       LYS  20 -11.961  -5.516   2.598
  119    H    LEU  21           H        LEU  21 -11.786  -1.208   2.224
  120    HA   LEU  21           HA       LEU  21 -11.802   1.183   0.617
  121   1HB   LEU  21          HB2       LEU  21 -10.907  -1.636   0.269
  122   2HB   LEU  21          HB1       LEU  21 -11.182  -0.697  -1.199
  123    HG   LEU  21           HG       LEU  21  -9.803   1.045   0.498
  124   1HD1  LEU  21          1HD1      LEU  21  -8.598  -1.734   0.572
  125   2HD1  LEU  21          2HD1      LEU  21  -9.235  -0.845   1.954
  126   3HD1  LEU  21          3HD1      LEU  21  -7.796  -0.263   1.121
  127   1HD2  LEU  21          1HD2      LEU  21  -8.145  -0.502  -1.378
  128   2HD2  LEU  21          2HD2      LEU  21  -8.491   1.227  -1.348
  129   3HD2  LEU  21          3HD2      LEU  21  -9.639   0.110  -2.085
  130    H    ARG  22           H        ARG  22 -13.530   1.959  -0.476
  131    HA   ARG  22           HA       ARG  22 -15.808   0.197  -1.047
  132   1HB   ARG  22          HB2       ARG  22 -16.624   2.236  -0.349
  133   2HB   ARG  22          HB1       ARG  22 -15.304   3.142  -1.080
  134   1HG   ARG  22          HG2       ARG  22 -16.270   2.689  -3.328
  135   2HG   ARG  22          HG1       ARG  22 -17.616   1.846  -2.559
  136   1HD   ARG  22          HD2       ARG  22 -18.407   3.827  -1.521
  137   2HD   ARG  22          HD1       ARG  22 -16.899   4.688  -1.830
  138    HE   ARG  22           HE       ARG  22 -18.974   4.077  -3.878
  139   1HH1  ARG  22          1HH2      ARG  22 -17.518   6.684  -2.646
  140   2HH1  ARG  22          2HH2      ARG  22 -16.769   7.248  -4.102
  141   1HH2  ARG  22          1HH1      ARG  22 -17.370   4.324  -5.863
  142   2HH2  ARG  22          2HH1      ARG  22 -16.686   5.915  -5.922
  143    HA   PRO  23           HA       PRO  23 -14.569   1.320  -5.523
  144   1HB   PRO  23          HB2       PRO  23 -12.152   2.570  -5.907
  145   2HB   PRO  23          HB1       PRO  23 -13.679   3.439  -5.671
  146   1HG   PRO  23          HG2       PRO  23 -11.420   3.067  -3.765
  147   2HG   PRO  23          HG1       PRO  23 -12.623   4.365  -3.840
  148   1HD   PRO  23          HD2       PRO  23 -12.637   2.181  -2.036
  149   2HD   PRO  23          HD1       PRO  23 -13.980   3.306  -2.329
  150    H    GLY  24           H        GLY  24 -12.241   0.881  -6.951
  151   1HA   GLY  24          HA2       GLY  24 -11.500  -1.828  -6.029
  152   2HA   GLY  24          HA1       GLY  24 -11.167  -1.154  -7.624
  153    H    ALA  25           H        ALA  25 -10.445   0.826  -4.881
  154    HA   ALA  25           HA       ALA  25  -7.658   0.998  -5.592
  155   1HB   ALA  25          HB1       ALA  25  -9.325   1.968  -3.282
  156   2HB   ALA  25          HB2       ALA  25  -8.465   2.909  -4.501
  157   3HB   ALA  25          HB3       ALA  25  -7.567   2.100  -3.216
  158    H    GLN  26           H        GLN  26  -5.841   0.247  -4.312
  159    HA   GLN  26           HA       GLN  26  -6.371  -2.385  -3.087
  160   1HB   GLN  26          HB2       GLN  26  -4.165  -1.131  -4.464
  161   2HB   GLN  26          HB1       GLN  26  -3.621  -1.744  -2.901
  162   1HG   GLN  26          HG2       GLN  26  -3.387  -3.644  -4.223
  163   2HG   GLN  26          HG1       GLN  26  -5.018  -3.869  -3.588
  164   1HE2  GLN  26          1HE2      GLN  26  -3.382  -2.294  -6.399
  165   2HE2  GLN  26          2HE2      GLN  26  -4.604  -2.682  -7.510
  166    H    CYS  27           H        CYS  27  -6.042   0.827  -2.097
  167    HA   CYS  27           HA       CYS  27  -5.980   0.004   0.720
  168   1HB   CYS  27          HB2       CYS  27  -4.114   1.833   1.063
  169   2HB   CYS  27          HB1       CYS  27  -3.656   0.192   0.610
  170    H    GLY  28           H        GLY  28  -6.530   1.858   2.139
  171   1HA   GLY  28          HA2       GLY  28  -8.108   3.888   0.637
  172   2HA   GLY  28          HA1       GLY  28  -8.421   3.397   2.300
  173    H    GLU  29           H        GLU  29  -5.623   3.490   3.112
  174    HA   GLU  29           HA       GLU  29  -4.604   6.140   2.550
  175   1HB   GLU  29          HB2       GLU  29  -5.016   7.077   4.800
  176   2HB   GLU  29          HB1       GLU  29  -6.517   6.773   3.934
  177   1HG   GLU  29          HG2       GLU  29  -7.168   5.609   5.757
  178   2HG   GLU  29          HG1       GLU  29  -6.030   4.368   5.228
  179    H    GLY  30           H        GLY  30  -2.645   6.592   3.801
  180   1HA   GLY  30          HA2       GLY  30  -1.306   5.391   5.774
  181   2HA   GLY  30          HA1       GLY  30  -1.257   4.092   4.579
  182    H    LEU  31           H        LEU  31   1.197   5.069   5.268
  183    HA   LEU  31           HA       LEU  31   1.854   7.168   3.298
  184   1HB   LEU  31          HB2       LEU  31   3.693   7.622   4.549
  185   2HB   LEU  31          HB1       LEU  31   2.744   6.852   5.804
  186    HG   LEU  31           HG       LEU  31   4.707   5.369   4.054
  187   1HD1  LEU  31          1HD1      LEU  31   5.966   5.489   6.398
  188   2HD1  LEU  31          2HD1      LEU  31   5.016   6.952   6.581
  189   3HD1  LEU  31          3HD1      LEU  31   6.130   6.787   5.226
  190   1HD2  LEU  31          1HD2      LEU  31   2.782   4.171   5.245
  191   2HD2  LEU  31          2HD2      LEU  31   3.552   4.647   6.757
  192   3HD2  LEU  31          3HD2      LEU  31   4.398   3.590   5.628
  193    H    CYS  32           H        CYS  32   1.825   3.788   3.647
  194    HA   CYS  32           HA       CYS  32   3.844   3.305   1.546
  195   1HB   CYS  32          HB2       CYS  32   1.959   1.430   3.009
  196   2HB   CYS  32          HB1       CYS  32   3.191   0.920   1.858
  197    H    CYS  33           H        CYS  33   0.577   4.141   1.764
  198    HA   CYS  33           HA       CYS  33  -0.113   2.826  -0.811
  199   1HB   CYS  33          HB2       CYS  33  -1.747   2.536   0.983
  200   2HB   CYS  33          HB1       CYS  33  -1.816   4.279   1.234
  201    H    GLU  34           H        GLU  34   0.017   4.034  -2.641
  202    HA   GLU  34           HA       GLU  34   0.005   7.011  -2.337
  203   1HB   GLU  34          HB2       GLU  34   2.115   5.835  -3.221
  204   2HB   GLU  34          HB1       GLU  34   1.174   5.492  -4.673
  205   1HG   GLU  34          HG2       GLU  34   0.638   8.017  -4.698
  206   2HG   GLU  34          HG1       GLU  34   1.967   8.178  -3.550
  207    H    GLN  35           H        GLN  35  -1.926   7.828  -2.985
  208    HA   GLN  35           HA       GLN  35  -3.798   8.231  -4.348
  209   1HB   GLN  35          HB2       GLN  35  -2.487   6.359  -6.337
  210   2HB   GLN  35          HB1       GLN  35  -3.687   7.608  -6.670
  211   1HG   GLN  35          HG2       GLN  35  -1.324   8.635  -5.274
  212   2HG   GLN  35          HG1       GLN  35  -0.947   7.942  -6.852
  213   1HE2  GLN  35          1HE2      GLN  35  -1.159   9.409  -8.541
  214   2HE2  GLN  35          2HE2      GLN  35  -2.203  10.748  -8.549
  215    H    CYS  36           H        CYS  36  -3.913   6.206  -2.377
  216    HA   CYS  36           HA       CYS  36  -5.345   4.465  -1.726
  217   1HB   CYS  36          HB2       CYS  36  -6.580   4.898  -4.462
  218   2HB   CYS  36          HB1       CYS  36  -7.313   4.031  -3.113
  219    H    LYS  37           H        LYS  37  -2.899   4.150  -3.651
  220    HA   LYS  37           HA       LYS  37  -3.485   1.295  -4.327
  221   1HB   LYS  37          HB2       LYS  37  -1.798   3.301  -5.854
  222   2HB   LYS  37          HB1       LYS  37  -1.841   1.572  -6.207
  223   1HG   LYS  37          HG2       LYS  37  -4.354   1.790  -6.461
  224   2HG   LYS  37          HG1       LYS  37  -4.137   3.539  -6.374
  225   1HD   LYS  37          HD2       LYS  37  -4.127   3.043  -8.699
  226   2HD   LYS  37          HD1       LYS  37  -2.429   3.253  -8.274
  227   1HE   LYS  37          HE2       LYS  37  -2.242   1.245  -9.376
  228   2HE   LYS  37          HE1       LYS  37  -2.653   0.622  -7.779
  229   1HZ   LYS  37          HZ1       LYS  37  -4.422   0.989 -10.117
  230   2HZ   LYS  37          HZ2       LYS  37  -5.047   0.830  -8.545
  231   3HZ   LYS  37          HZ3       LYS  37  -4.129  -0.425  -9.228
  232    H    PHE  38           H        PHE  38  -2.023  -0.162  -3.503
  233    HA   PHE  38           HA       PHE  38  -0.226   0.518  -1.452
  234   1HB   PHE  38          HB2       PHE  38  -0.315  -1.848  -3.327
  235   2HB   PHE  38          HB1       PHE  38   0.902  -1.718  -2.058
  236    HD1  PHE  38           HD1      PHE  38  -0.589  -0.428   0.124
  237    HD2  PHE  38           HD2      PHE  38  -1.806  -3.522  -2.596
  238    HE1  PHE  38           HE1      PHE  38  -2.227  -1.252   1.793
  239    HE2  PHE  38           HE2      PHE  38  -3.444  -4.345  -0.928
  240    HZ   PHE  38           HZ       PHE  38  -3.653  -3.211   1.268
  241    H    SER  39           H        SER  39   1.649   1.668  -1.538
  242    HA   SER  39           HA       SER  39   2.889   2.489  -3.971
  243   1HB   SER  39          HB2       SER  39   4.121   2.279  -1.204
  244   2HB   SER  39          HB1       SER  39   4.768   3.216  -2.548
  245    HG   SER  39           HG       SER  39   2.403   4.074  -2.446
  246    H    ARG  40           H        ARG  40   5.603   1.907  -3.737
  247    HA   ARG  40           HA       ARG  40   5.575  -1.018  -4.317
  248   1HB   ARG  40          HB2       ARG  40   7.683  -0.582  -5.546
  249   2HB   ARG  40          HB1       ARG  40   6.363   0.419  -6.152
  250   1HG   ARG  40          HG2       ARG  40   7.175   2.355  -5.040
  251   2HG   ARG  40          HG1       ARG  40   8.258   1.409  -4.019
  252   1HD   ARG  40          HD2       ARG  40   8.683   1.087  -6.928
  253   2HD   ARG  40          HD1       ARG  40   9.052   2.690  -6.293
  254    HE   ARG  40           HE       ARG  40  10.215   0.658  -4.615
  255   1HH1  ARG  40          1HH1      ARG  40  10.461   1.345  -7.924
  256   2HH1  ARG  40          2HH1      ARG  40  12.183   1.539  -7.921
  257   1HH2  ARG  40          1HH2      ARG  40  12.469   1.296  -4.475
  258   2HH2  ARG  40          2HH2      ARG  40  13.318   1.510  -5.969
  259    H    ALA  41           H        ALA  41   7.111  -2.384  -3.321
  260    HA   ALA  41           HA       ALA  41   7.811  -1.894  -0.647
  261   1HB   ALA  41          HB1       ALA  41   8.514  -4.030  -0.804
  262   2HB   ALA  41          HB2       ALA  41   9.838  -3.544  -1.861
  263   3HB   ALA  41          HB3       ALA  41   8.266  -3.953  -2.548
  264    H    GLY  42           H        GLY  42  10.174  -1.752   0.168
  265   1HA   GLY  42          HA2       GLY  42  12.203  -0.555   0.252
  266   2HA   GLY  42          HA1       GLY  42  12.098  -0.377  -1.499
  267    H    LYS  43           H        LYS  43   9.397   0.577   0.485
  268    HA   LYS  43           HA       LYS  43   9.862   3.401  -0.362
  269   1HB   LYS  43          HB2       LYS  43   7.644   2.124  -0.685
  270   2HB   LYS  43          HB1       LYS  43   7.434   2.332   1.045
  271   1HG   LYS  43          HG2       LYS  43   7.826   4.574  -0.944
  272   2HG   LYS  43          HG1       LYS  43   6.301   4.124  -0.183
  273   1HD   LYS  43          HD2       LYS  43   7.654   4.444   2.051
  274   2HD   LYS  43          HD1       LYS  43   8.707   5.435   1.039
  275   1HE   LYS  43          HE2       LYS  43   6.611   6.655   0.265
  276   2HE   LYS  43          HE1       LYS  43   5.750   5.814   1.553
  277   1HZ   LYS  43          HZ1       LYS  43   7.779   6.722   2.941
  278   2HZ   LYS  43          HZ2       LYS  43   6.387   7.659   2.676
  279   3HZ   LYS  43          HZ3       LYS  43   7.777   7.910   1.731
  280    H    ILE  44           H        ILE  44  11.138   4.454   1.100
  281    HA   ILE  44           HA       ILE  44  11.522   3.876   3.814
  282    HB   ILE  44           HB       ILE  44  12.897   5.487   2.549
  283   1HG1  ILE  44          2HG1      ILE  44  13.023   7.243   4.330
  284   2HG1  ILE  44          1HG1      ILE  44  11.519   6.618   5.005
  285   1HG2  ILE  44          1HG2      ILE  44  11.000   7.712   2.939
  286   2HG2  ILE  44          2HG2      ILE  44  10.495   6.532   1.730
  287   3HG2  ILE  44          3HG2      ILE  44  12.047   7.354   1.566
  288   1HD1  ILE  44          1HD1      ILE  44  14.173   5.670   5.458
  289   2HD1  ILE  44          2HD1      ILE  44  13.291   4.411   4.594
  290   3HD1  ILE  44          3HD1      ILE  44  12.666   5.037   6.119
  291    H    CYS  45           H        CYS  45   9.538   3.373   4.851
  292    HA   CYS  45           HA       CYS  45   7.430   5.442   5.001
  293   1HB   CYS  45          HB2       CYS  45   6.113   3.803   6.060
  294   2HB   CYS  45          HB1       CYS  45   7.002   2.918   4.860
  295    H    ARG  46           H        ARG  46  10.288   4.631   6.641
  296    HA   ARG  46           HA       ARG  46   9.721   6.603   8.733
  297   1HB   ARG  46          HB2       ARG  46   8.998   4.041   9.350
  298   2HB   ARG  46          HB1       ARG  46  10.675   4.056   9.894
  299   1HG   ARG  46          HG2       ARG  46   9.707   4.909  11.795
  300   2HG   ARG  46          HG1       ARG  46   9.895   6.421  10.904
  301   1HD   ARG  46          HD2       ARG  46   7.499   5.426   9.936
  302   2HD   ARG  46          HD1       ARG  46   7.448   4.992  11.645
  303    HE   ARG  46           HE       ARG  46   8.250   7.622  11.710
  304   1HH1  ARG  46          1HH2      ARG  46   6.307   6.693   9.181
  305   2HH1  ARG  46          2HH2      ARG  46   4.940   7.664   9.621
  306   1HH2  ARG  46          1HH1      ARG  46   6.228   8.541  12.718
  307   2HH2  ARG  46          2HH1      ARG  46   4.895   8.710  11.624
  308    H    ILE  47           H        ILE  47  11.529   7.748   8.879
  309    HA   ILE  47           HA       ILE  47  14.090   6.480   8.083
  310    HB   ILE  47           HB       ILE  47  13.227   8.677   7.080
  311   1HG1  ILE  47          2HG1      ILE  47  15.654   7.755   7.175
  312   2HG1  ILE  47          1HG1      ILE  47  15.425   9.451   6.773
  313   1HG2  ILE  47          1HG2      ILE  47  13.733  10.699   8.456
  314   2HG2  ILE  47          2HG2      ILE  47  14.045   9.643   9.835
  315   3HG2  ILE  47          3HG2      ILE  47  12.430   9.721   9.131
  316   1HD1  ILE  47          1HD1      ILE  47  16.515  10.131   8.626
  317   2HD1  ILE  47          2HD1      ILE  47  17.023   8.456   8.832
  318   3HD1  ILE  47          3HD1      ILE  47  15.581   9.047   9.654
  319    HA   PRO  48           HA       PRO  48  15.214   6.362  12.359
  320   1HB   PRO  48          HB2       PRO  48  17.860   5.721  11.978
  321   2HB   PRO  48          HB1       PRO  48  16.534   4.557  11.809
  322   1HG   PRO  48          HG2       PRO  48  18.162   5.861   9.684
  323   2HG   PRO  48          HG1       PRO  48  17.297   4.316   9.646
  324   1HD   PRO  48          HD2       PRO  48  16.421   6.749   8.488
  325   2HD   PRO  48          HD1       PRO  48  15.445   5.287   8.708
  326    H    ARG  49           H        ARG  49  16.159   7.774  13.853
  327    HA   ARG  49           HA       ARG  49  17.589  10.123  12.690
  328   1HB   ARG  49          HB2       ARG  49  16.611  11.498  14.319
  329   2HB   ARG  49          HB1       ARG  49  15.308  10.372  13.941
  330   1HG   ARG  49          HG2       ARG  49  17.247  10.011  16.247
  331   2HG   ARG  49          HG1       ARG  49  15.646  10.729  16.405
  332   1HD   ARG  49          HD2       ARG  49  14.788   8.557  15.276
  333   2HD   ARG  49          HD1       ARG  49  16.366   7.890  15.694
  334    HE   ARG  49           HE       ARG  49  15.416   7.585  17.822
  335   1HH1  ARG  49          1HH2      ARG  49  13.582   9.957  16.248
  336   2HH1  ARG  49          2HH2      ARG  49  13.051  10.739  17.698
  337   1HH2  ARG  49          1HH1      ARG  49  15.074   8.844  19.780
  338   2HH2  ARG  49          2HH1      ARG  49  13.896  10.111  19.697
  339    H    GLY  50           H        GLY  50  19.675  10.436  13.316
  340   1HA   GLY  50          HA2       GLY  50  21.512  10.434  14.867
  341   2HA   GLY  50          HA1       GLY  50  20.612   9.313  15.890
  342    H    ASP  51           H        ASP  51  20.306   7.069  14.935
  343    HA   ASP  51           HA       ASP  51  22.030   6.194  12.785
  344   1HB   ASP  51          HB2       ASP  51  23.306   6.550  15.268
  345   2HB   ASP  51          HB1       ASP  51  23.045   4.812  15.120
  346    H    MET  52           H        MET  52  19.689   5.452  12.528
  347    HA   MET  52           HA       MET  52  19.398   2.764  13.804
  348   1HB   MET  52          HB2       MET  52  17.535   5.050  13.828
  349   2HB   MET  52          HB1       MET  52  16.800   3.530  13.321
  350   1HG   MET  52          HG2       MET  52  17.743   2.432  15.349
  351   2HG   MET  52          HG1       MET  52  18.370   3.996  15.871
  352   1HE   MET  52          HE1       MET  52  15.304   2.288  17.683
  353   2HE   MET  52          HE2       MET  52  16.432   1.594  16.520
  354   3HE   MET  52          HE3       MET  52  14.749   1.845  16.062
  355    HA   PRO  53           HA       PRO  53  18.585   1.285   9.756
  356   1HB   PRO  53          HB2       PRO  53  16.545  -0.511  10.173
  357   2HB   PRO  53          HB1       PRO  53  18.225  -0.806  10.648
  358   1HG   PRO  53          HG2       PRO  53  15.885  -0.104  12.361
  359   2HG   PRO  53          HG1       PRO  53  17.347  -1.012  12.778
  360   1HD   PRO  53          HD2       PRO  53  16.848   1.687  13.434
  361   2HD   PRO  53          HD1       PRO  53  18.428   0.878  13.508
  362    H    ASP  54           H        ASP  54  17.181   1.512   7.924
  363    HA   ASP  54           HA       ASP  54  15.102   3.559   8.235
  364   1HB   ASP  54          HB2       ASP  54  16.009   2.032   5.773
  365   2HB   ASP  54          HB1       ASP  54  14.977   3.462   5.780
  366    H    ASP  55           H        ASP  55  12.931   3.190   7.155
  367    HA   ASP  55           HA       ASP  55  12.032   0.360   7.522
  368   1HB   ASP  55          HB2       ASP  55  10.552   2.914   8.229
  369   2HB   ASP  55          HB1       ASP  55   9.857   1.297   8.313
  370    H    ARG  56           H        ARG  56  11.970  -0.191   5.327
  371    HA   ARG  56           HA       ARG  56  10.660   1.652   3.427
  372   1HB   ARG  56          HB2       ARG  56  11.654  -1.098   2.749
  373   2HB   ARG  56          HB1       ARG  56  11.558   0.332   1.724
  374   1HG   ARG  56          HG2       ARG  56  13.200   1.059   3.896
  375   2HG   ARG  56          HG1       ARG  56  13.740  -0.545   3.398
  376   1HD   ARG  56          HD2       ARG  56  14.407   0.171   1.316
  377   2HD   ARG  56          HD1       ARG  56  13.175   1.430   1.239
  378    HE   ARG  56           HE       ARG  56  15.260   1.921   3.238
  379   1HH1  ARG  56          1HH2      ARG  56  14.363   2.130  -0.086
  380   2HH1  ARG  56          2HH2      ARG  56  15.271   3.576  -0.375
  381   1HH2  ARG  56          1HH1      ARG  56  16.370   3.863   2.901
  382   2HH2  ARG  56          2HH1      ARG  56  16.405   4.558   1.314
  383    H    CYS  57           H        CYS  57   8.674   1.255   2.442
  384    HA   CYS  57           HA       CYS  57   6.805  -0.434   3.818
  385   1HB   CYS  57          HB2       CYS  57   6.633   0.778   1.047
  386   2HB   CYS  57          HB1       CYS  57   5.297   0.003   1.889
  387    H    THR  58           H        THR  58   5.799  -2.357   3.013
  388    HA   THR  58           HA       THR  58   7.678  -4.166   1.698
  389    HB   THR  58           HB       THR  58   6.480  -5.263   3.378
  390    HG1  THR  58           HG1      THR  58   5.390  -6.782   2.288
  391   1HG2  THR  58          1HG2      THR  58   4.759  -3.981   4.147
  392   2HG2  THR  58          2HG2      THR  58   3.786  -5.010   3.095
  393   3HG2  THR  58          3HG2      THR  58   4.320  -3.427   2.533
  394    H    GLY  59           H        GLY  59   5.474  -1.935   0.562
  395   1HA   GLY  59          HA2       GLY  59   4.944  -1.539  -1.724
  396   2HA   GLY  59          HA1       GLY  59   5.552  -3.147  -2.118
  397    H    GLN  60           H        GLN  60   3.729  -3.909   0.374
  398    HA   GLN  60           HA       GLN  60   1.205  -4.060  -1.229
  399   1HB   GLN  60          HB2       GLN  60   2.259  -6.101   0.753
  400   2HB   GLN  60          HB1       GLN  60   0.790  -6.245  -0.213
  401   1HG   GLN  60          HG2       GLN  60   3.368  -5.723  -1.638
  402   2HG   GLN  60          HG1       GLN  60   3.069  -7.349  -1.024
  403   1HE2  GLN  60          1HE2      GLN  60   2.286  -5.126  -3.561
  404   2HE2  GLN  60          2HE2      GLN  60   1.100  -6.076  -4.317
  405    H    SER  61           H        SER  61   2.699  -3.066   1.681
  406    HA   SER  61           HA       SER  61   0.177  -3.098   3.227
  407   1HB   SER  61          HB2       SER  61   1.943  -3.531   4.672
  408   2HB   SER  61          HB1       SER  61   3.045  -2.463   3.810
  409    HG   SER  61           HG       SER  61   0.978  -1.833   5.623
  410    H    ALA  62           H        ALA  62  -0.537  -0.999   4.269
  411    HA   ALA  62           HA       ALA  62  -0.279   1.218   2.284
  412   1HB   ALA  62          HB1       ALA  62  -2.542   1.110   2.424
  413   2HB   ALA  62          HB2       ALA  62  -2.339   1.929   3.973
  414   3HB   ALA  62          HB3       ALA  62  -2.490   0.173   3.918
  415    H    ASP  63           H        ASP  63  -0.349   0.579   5.796
  416    HA   ASP  63           HA       ASP  63   0.666   3.308   6.308
  417   1HB   ASP  63          HB2       ASP  63   0.159   1.054   8.277
  418   2HB   ASP  63          HB1       ASP  63   0.382   2.761   8.659
  419    H    CYS  64           H        CYS  64   2.586   3.402   7.919
  420    HA   CYS  64           HA       CYS  64   4.805   2.001   6.674
  421   1HB   CYS  64          HB2       CYS  64   5.226   4.240   7.445
  422   2HB   CYS  64          HB1       CYS  64   4.598   3.883   9.030
  423    HA   PRO  65           HA       PRO  65   4.362  -1.445   9.432
  424   1HB   PRO  65          HB2       PRO  65   6.048  -3.035   7.975
  425   2HB   PRO  65          HB1       PRO  65   4.352  -2.796   7.564
  426   1HG   PRO  65          HG2       PRO  65   6.787  -1.725   6.240
  427   2HG   PRO  65          HG1       PRO  65   5.167  -1.986   5.571
  428   1HD   PRO  65          HD2       PRO  65   6.264   0.496   6.401
  429   2HD   PRO  65          HD1       PRO  65   4.570   0.177   5.979
  430    H    ARG  66           H        ARG  66   7.570  -2.103   8.225
  431    HA   ARG  66           HA       ARG  66   8.974  -0.647  10.322
  432   1HB   ARG  66          HB2       ARG  66   8.077  -2.491  11.663
  433   2HB   ARG  66          HB1       ARG  66   8.717  -3.665  10.513
  434   1HG   ARG  66          HG2       ARG  66  10.441  -3.670  12.050
  435   2HG   ARG  66          HG1       ARG  66  10.989  -2.359  11.007
  436   1HD   ARG  66          HD2       ARG  66  10.788  -0.859  12.675
  437   2HD   ARG  66          HD1       ARG  66   9.127  -1.363  12.990
  438    HE   ARG  66           HE       ARG  66  11.183  -3.175  14.049
  439   1HH1  ARG  66          1HH2      ARG  66   9.577  -0.193  14.574
  440   2HH1  ARG  66          2HH2      ARG  66   9.369  -0.441  16.275
  441   1HH2  ARG  66          1HH1      ARG  66  10.720  -3.635  16.242
  442   2HH2  ARG  66          2HH1      ARG  66  10.016  -2.391  17.221
  443    H    TYR  67           H        TYR  67   9.838  -3.832   9.045
  444    HA   TYR  67           HA       TYR  67  11.654  -2.555   7.073
  445   1HB   TYR  67          HB2       TYR  67  12.655  -3.262   9.501
  446   2HB   TYR  67          HB1       TYR  67  12.849  -4.781   8.625
  447    HD1  TYR  67           HD2      TYR  67  13.515  -4.151   5.952
  448    HD2  TYR  67           HD1      TYR  67  14.622  -2.018   9.513
  449    HE1  TYR  67           HE2      TYR  67  15.492  -3.220   4.780
  450    HE2  TYR  67           HE1      TYR  67  16.601  -1.088   8.340
  451    HH   TYR  67           HH       TYR  67  17.704  -2.294   5.363
  452    H    HIS  68           H        HIS  68  10.231  -5.532   8.390
  453    HA   HIS  68           HA       HIS  68   9.500  -7.469   7.284
  454   1HB   HIS  68          HB2       HIS  68   8.453  -5.722   5.770
  455   2HB   HIS  68          HB1       HIS  68   9.873  -5.878   4.735
  456    HD1  HIS  68           HD1      HIS  68  10.235  -8.181   3.534
  457    HD2  HIS  68           HD2      HIS  68   6.640  -7.890   5.626
  458    HE1  HIS  68           HE1      HIS  68   8.803 -10.127   2.772
  Start of MODEL   15
    1   1H    GLY   1          HT1       GLY   1  -6.960  -4.203   8.217
    2   2H    GLY   1          HT2       GLY   1  -6.856  -5.784   8.829
    3   3H    GLY   1          HT3       GLY   1  -6.610  -4.454   9.857
    4   1HA   GLY   1          HA1       GLY   1  -8.761  -5.153  10.359
    5   2HA   GLY   1          HA2       GLY   1  -8.969  -3.768   9.286
    6    H    LYS   2           H        LYS   2 -10.243  -6.685   9.818
    7    HA   LYS   2           HA       LYS   2 -10.302  -7.713   7.069
    8   1HB   LYS   2          HB2       LYS   2 -11.401  -8.556   9.717
    9   2HB   LYS   2          HB1       LYS   2 -12.208  -9.150   8.265
   10   1HG   LYS   2          HG2       LYS   2 -10.577 -10.665   7.956
   11   2HG   LYS   2          HG1       LYS   2  -9.377  -9.373   7.883
   12   1HD   LYS   2          HD2       LYS   2 -10.451 -10.396  10.514
   13   2HD   LYS   2          HD1       LYS   2  -9.061 -11.140   9.726
   14   1HE   LYS   2          HE2       LYS   2  -8.112  -8.729   9.591
   15   2HE   LYS   2          HE1       LYS   2  -9.328  -8.340  10.809
   16   1HZ   LYS   2          HZ1       LYS   2  -7.512 -10.640  11.156
   17   2HZ   LYS   2          HZ2       LYS   2  -8.380  -9.780  12.336
   18   3HZ   LYS   2          HZ3       LYS   2  -7.026  -9.075  11.594
   19    H    GLU   3           H        GLU   3 -12.688  -6.307   9.338
   20    HA   GLU   3           HA       GLU   3 -14.583  -5.950   7.091
   21   1HB   GLU   3          HB2       GLU   3 -14.815  -6.310   9.925
   22   2HB   GLU   3          HB1       GLU   3 -15.556  -4.768   9.495
   23   1HG   GLU   3          HG2       GLU   3 -17.318  -6.292   9.189
   24   2HG   GLU   3          HG1       GLU   3 -16.669  -6.109   7.559
   25    H    CYS   4           H        CYS   4 -12.068  -4.228   8.508
   26    HA   CYS   4           HA       CYS   4 -13.226  -1.672   7.480
   27   1HB   CYS   4          HB2       CYS   4 -11.823  -2.244  10.065
   28   2HB   CYS   4          HB1       CYS   4 -11.586  -0.672   9.303
   29    H    ASP   5           H        ASP   5 -11.914  -0.607   6.049
   30    HA   ASP   5           HA       ASP   5  -9.142  -1.679   5.720
   31   1HB   ASP   5          HB2       ASP   5 -11.171  -1.581   3.842
   32   2HB   ASP   5          HB1       ASP   5 -10.231  -0.134   3.475
   33    H    CYS   6           H        CYS   6 -10.969   1.022   6.643
   34    HA   CYS   6           HA       CYS   6  -8.516   2.704   6.534
   35   1HB   CYS   6          HB2       CYS   6  -9.801   4.650   5.814
   36   2HB   CYS   6          HB1       CYS   6 -10.004   3.354   4.637
   37    H    SER   7           H        SER   7  -8.405   4.245   8.266
   38    HA   SER   7           HA       SER   7 -10.049   3.465  10.589
   39   1HB   SER   7          HB2       SER   7  -7.427   4.058  10.415
   40   2HB   SER   7          HB1       SER   7  -8.049   5.662  10.796
   41    HG   SER   7           HG       SER   7  -8.006   3.333  12.313
   42    H    SER   8           H        SER   8 -10.963   5.243   8.193
   43    HA   SER   8           HA       SER   8 -12.362   7.186   9.926
   44   1HB   SER   8          HB2       SER   8 -10.578   7.952   7.612
   45   2HB   SER   8          HB1       SER   8 -11.846   9.016   8.215
   46    HG   SER   8           HG       SER   8 -10.523   9.538   9.748
   47    HA   PRO   9           HA       PRO   9 -15.527   5.945   7.080
   48   1HB   PRO   9          HB2       PRO   9 -17.496   7.566   8.106
   49   2HB   PRO   9          HB1       PRO   9 -16.983   6.050   8.866
   50   1HG   PRO   9          HG2       PRO   9 -16.407   8.852   9.701
   51   2HG   PRO   9          HG1       PRO   9 -16.469   7.378  10.682
   52   1HD   PRO   9          HD2       PRO   9 -14.118   8.672   9.767
   53   2HD   PRO   9          HD1       PRO   9 -14.212   7.047  10.477
   54    H    GLU  10           H        GLU  10 -14.869   9.379   7.746
   55    HA   GLU  10           HA       GLU  10 -16.277  10.478   5.523
   56   1HB   GLU  10          HB2       GLU  10 -15.332  11.814   7.417
   57   2HB   GLU  10          HB1       GLU  10 -13.717  11.519   6.775
   58   1HG   GLU  10          HG2       GLU  10 -14.901  12.433   4.535
   59   2HG   GLU  10          HG1       GLU  10 -15.872  13.286   5.735
   60    H    ASN  11           H        ASN  11 -13.187   8.859   5.778
   61    HA   ASN  11           HA       ASN  11 -11.875   9.704   3.455
   62   1HB   ASN  11          HB2       ASN  11 -10.871   8.114   5.022
   63   2HB   ASN  11          HB1       ASN  11 -12.069   6.897   4.587
   64   1HD2  ASN  11          1HD2      ASN  11  -9.767   5.813   4.086
   65   2HD2  ASN  11          2HD2      ASN  11  -9.238   5.976   2.483
   66    HA   PRO  12           HA       PRO  12 -14.962   8.405   0.484
   67   1HB   PRO  12          HB2       PRO  12 -13.705   9.545  -1.679
   68   2HB   PRO  12          HB1       PRO  12 -14.704  10.457  -0.536
   69   1HG   PRO  12          HG2       PRO  12 -11.733  10.397  -0.801
   70   2HG   PRO  12          HG1       PRO  12 -12.777  11.683  -0.175
   71   1HD   PRO  12          HD2       PRO  12 -11.261   9.880   1.389
   72   2HD   PRO  12          HD1       PRO  12 -12.565  10.932   1.981
   73    H    CYS  13           H        CYS  13 -11.583   7.655   0.572
   74    HA   CYS  13           HA       CYS  13 -11.608   5.898  -1.759
   75   1HB   CYS  13          HB2       CYS  13  -9.644   6.855   0.187
   76   2HB   CYS  13          HB1       CYS  13  -9.436   5.146  -0.199
   77    H    CYS  14           H        CYS  14 -12.957   5.631   1.276
   78    HA   CYS  14           HA       CYS  14 -13.044   2.678   0.994
   79   1HB   CYS  14          HB2       CYS  14 -12.544   2.283   3.309
   80   2HB   CYS  14          HB1       CYS  14 -11.268   3.329   2.685
   81    H    ASP  15           H        ASP  15 -15.110   2.014   1.079
   82    HA   ASP  15           HA       ASP  15 -17.317   3.729   1.435
   83   1HB   ASP  15          HB2       ASP  15 -17.118   1.232   0.552
   84   2HB   ASP  15          HB1       ASP  15 -17.568   0.849   2.213
   85    H    ALA  16           H        ALA  16 -18.025   4.732   3.249
   86    HA   ALA  16           HA       ALA  16 -16.981   4.077   5.866
   87   1HB   ALA  16          HB1       ALA  16 -17.648   6.215   6.143
   88   2HB   ALA  16          HB2       ALA  16 -19.307   5.621   6.213
   89   3HB   ALA  16          HB3       ALA  16 -18.625   6.153   4.675
   90    H    ALA  17           H        ALA  17 -20.112   3.550   4.243
   91    HA   ALA  17           HA       ALA  17 -21.539   2.422   6.396
   92   1HB   ALA  17          HB1       ALA  17 -21.621   1.537   3.493
   93   2HB   ALA  17          HB2       ALA  17 -22.527   2.894   4.163
   94   3HB   ALA  17          HB3       ALA  17 -22.875   1.250   4.701
   95    H    THR  18           H        THR  18 -19.255   0.876   4.146
   96    HA   THR  18           HA       THR  18 -19.434  -1.636   5.721
   97    HB   THR  18           HB       THR  18 -18.349  -2.705   3.909
   98    HG1  THR  18           HG1      THR  18 -17.440  -1.250   2.216
   99   1HG2  THR  18          1HG2      THR  18 -20.041  -2.446   2.446
  100   2HG2  THR  18          2HG2      THR  18 -19.543  -0.797   2.069
  101   3HG2  THR  18          3HG2      THR  18 -20.597  -1.106   3.449
  102    H    CYS  19           H        CYS  19 -17.577   1.202   5.530
  103    HA   CYS  19           HA       CYS  19 -15.620   1.845   6.650
  104   1HB   CYS  19          HB2       CYS  19 -16.656   0.630   8.557
  105   2HB   CYS  19          HB1       CYS  19 -15.900  -0.859   7.995
  106    H    LYS  20           H        LYS  20 -15.751  -0.235   4.262
  107    HA   LYS  20           HA       LYS  20 -12.862  -1.003   4.452
  108   1HB   LYS  20          HB2       LYS  20 -15.093  -2.309   2.865
  109   2HB   LYS  20          HB1       LYS  20 -13.399  -2.799   2.826
  110   1HG   LYS  20          HG2       LYS  20 -13.438  -3.512   5.088
  111   2HG   LYS  20          HG1       LYS  20 -14.948  -2.659   5.412
  112   1HD   LYS  20          HD2       LYS  20 -15.349  -5.079   5.183
  113   2HD   LYS  20          HD1       LYS  20 -16.140  -4.188   3.882
  114   1HE   LYS  20          HE2       LYS  20 -15.041  -5.506   2.421
  115   2HE   LYS  20          HE1       LYS  20 -13.548  -4.719   2.935
  116   1HZ   LYS  20          HZ1       LYS  20 -14.768  -7.118   4.193
  117   2HZ   LYS  20          HZ2       LYS  20 -13.337  -6.356   4.700
  118   3HZ   LYS  20          HZ3       LYS  20 -13.406  -7.114   3.182
  119    H    LEU  21           H        LEU  21 -12.210  -1.459   1.881
  120    HA   LEU  21           HA       LEU  21 -12.052   1.186   0.757
  121   1HB   LEU  21          HB2       LEU  21 -10.944  -1.431   0.207
  122   2HB   LEU  21          HB1       LEU  21 -11.459  -0.647  -1.288
  123    HG   LEU  21           HG       LEU  21 -10.183   1.301   0.395
  124   1HD1  LEU  21          1HD1      LEU  21  -8.529   0.132   1.368
  125   2HD1  LEU  21          2HD1      LEU  21  -7.929  -0.265  -0.242
  126   3HD1  LEU  21          3HD1      LEU  21  -9.054  -1.351   0.573
  127   1HD2  LEU  21          1HD2      LEU  21  -9.952   0.146  -2.331
  128   2HD2  LEU  21          2HD2      LEU  21  -8.509   0.950  -1.703
  129   3HD2  LEU  21          3HD2      LEU  21 -10.030   1.835  -1.826
  130    H    ARG  22           H        ARG  22 -12.949   1.847  -1.351
  131    HA   ARG  22           HA       ARG  22 -15.426   0.355  -2.068
  132   1HB   ARG  22          HB2       ARG  22 -16.397   2.108  -0.923
  133   2HB   ARG  22          HB1       ARG  22 -15.134   3.248  -1.354
  134   1HG   ARG  22          HG2       ARG  22 -16.089   3.729  -3.411
  135   2HG   ARG  22          HG1       ARG  22 -16.804   2.125  -3.565
  136   1HD   ARG  22          HD2       ARG  22 -18.600   2.654  -2.134
  137   2HD   ARG  22          HD1       ARG  22 -17.760   4.045  -1.448
  138    HE   ARG  22           HE       ARG  22 -18.766   4.012  -4.268
  139   1HH1  ARG  22          1HH2      ARG  22 -20.118   5.132  -1.612
  140   2HH1  ARG  22          2HH2      ARG  22 -19.903   6.827  -1.903
  141   1HH2  ARG  22          1HH1      ARG  22 -17.638   6.365  -4.488
  142   2HH2  ARG  22          2HH1      ARG  22 -18.497   7.525  -3.529
  143    HA   PRO  23           HA       PRO  23 -14.195   2.549  -6.083
  144   1HB   PRO  23          HB2       PRO  23 -12.189   4.427  -6.050
  145   2HB   PRO  23          HB1       PRO  23 -13.904   4.816  -5.822
  146   1HG   PRO  23          HG2       PRO  23 -11.724   4.653  -3.781
  147   2HG   PRO  23          HG1       PRO  23 -13.178   5.667  -3.794
  148   1HD   PRO  23          HD2       PRO  23 -12.873   3.335  -2.285
  149   2HD   PRO  23          HD1       PRO  23 -14.423   4.089  -2.701
  150    H    GLY  24           H        GLY  24 -12.260   2.413  -7.649
  151   1HA   GLY  24          HA2       GLY  24 -10.768   0.051  -7.160
  152   2HA   GLY  24          HA1       GLY  24 -10.398   1.221  -8.426
  153    H    ALA  25           H        ALA  25  -9.797   0.369  -5.056
  154    HA   ALA  25           HA       ALA  25  -7.193   1.769  -5.239
  155   1HB   ALA  25          HB1       ALA  25  -8.097   3.521  -4.078
  156   2HB   ALA  25          HB2       ALA  25  -7.888   2.448  -2.694
  157   3HB   ALA  25          HB3       ALA  25  -9.456   2.560  -3.495
  158    H    GLN  26           H        GLN  26  -5.610   0.820  -3.874
  159    HA   GLN  26           HA       GLN  26  -6.307  -1.882  -2.928
  160   1HB   GLN  26          HB2       GLN  26  -3.861  -0.448  -3.679
  161   2HB   GLN  26          HB1       GLN  26  -3.662  -1.432  -2.227
  162   1HG   GLN  26          HG2       GLN  26  -3.203  -2.986  -3.907
  163   2HG   GLN  26          HG1       GLN  26  -4.925  -3.256  -3.636
  164   1HE2  GLN  26          1HE2      GLN  26  -6.427  -2.536  -5.287
  165   2HE2  GLN  26          2HE2      GLN  26  -5.901  -2.023  -6.815
  166    H    CYS  27           H        CYS  27  -5.616   1.283  -1.623
  167    HA   CYS  27           HA       CYS  27  -6.403   0.299   1.036
  168   1HB   CYS  27          HB2       CYS  27  -4.374   0.409   2.015
  169   2HB   CYS  27          HB1       CYS  27  -3.687   0.553   0.405
  170    H    GLY  28           H        GLY  28  -7.327   1.940   2.320
  171   1HA   GLY  28          HA2       GLY  28  -8.043   4.381   0.820
  172   2HA   GLY  28          HA1       GLY  28  -8.778   3.847   2.331
  173    H    GLU  29           H        GLU  29  -5.723   3.374   3.066
  174    HA   GLU  29           HA       GLU  29  -4.676   6.060   3.321
  175   1HB   GLU  29          HB2       GLU  29  -4.972   6.317   5.724
  176   2HB   GLU  29          HB1       GLU  29  -6.548   6.119   4.969
  177   1HG   GLU  29          HG2       GLU  29  -6.951   4.259   6.165
  178   2HG   GLU  29          HG1       GLU  29  -5.435   3.536   5.623
  179    H    GLY  30           H        GLY  30  -2.535   6.029   4.188
  180   1HA   GLY  30          HA2       GLY  30  -1.230   4.139   5.697
  181   2HA   GLY  30          HA1       GLY  30  -1.238   3.406   4.097
  182    H    LEU  31           H        LEU  31   0.976   4.588   5.789
  183    HA   LEU  31           HA       LEU  31   1.887   7.004   4.627
  184   1HB   LEU  31          HB2       LEU  31   4.243   5.914   5.147
  185   2HB   LEU  31          HB1       LEU  31   3.214   6.533   6.428
  186    HG   LEU  31           HG       LEU  31   2.276   4.084   6.489
  187   1HD1  LEU  31          1HD1      LEU  31   3.971   2.408   5.851
  188   2HD1  LEU  31          2HD1      LEU  31   4.995   3.685   5.207
  189   3HD1  LEU  31          3HD1      LEU  31   3.454   3.321   4.448
  190   1HD2  LEU  31          1HD2      LEU  31   3.723   3.690   8.280
  191   2HD2  LEU  31          2HD2      LEU  31   3.835   5.434   8.094
  192   3HD2  LEU  31          3HD2      LEU  31   5.101   4.398   7.443
  193    H    CYS  32           H        CYS  32   1.983   3.719   3.470
  194    HA   CYS  32           HA       CYS  32   3.509   4.672   1.084
  195   1HB   CYS  32          HB2       CYS  32   3.209   1.885   2.233
  196   2HB   CYS  32          HB1       CYS  32   4.051   2.259   0.728
  197    H    CYS  33           H        CYS  33   1.074   5.471   0.760
  198    HA   CYS  33           HA       CYS  33  -0.187   3.427  -1.007
  199   1HB   CYS  33          HB2       CYS  33  -1.427   4.995   1.221
  200   2HB   CYS  33          HB1       CYS  33  -2.400   4.681  -0.215
  201    H    GLU  34           H        GLU  34   0.201   4.312  -2.993
  202    HA   GLU  34           HA       GLU  34   0.060   7.241  -3.355
  203   1HB   GLU  34          HB2       GLU  34   0.782   4.972  -5.233
  204   2HB   GLU  34          HB1       GLU  34   0.754   6.669  -5.710
  205   1HG   GLU  34          HG2       GLU  34   2.277   6.051  -3.241
  206   2HG   GLU  34          HG1       GLU  34   2.969   5.439  -4.743
  207    H    GLN  35           H        GLN  35  -1.982   8.024  -3.592
  208    HA   GLN  35           HA       GLN  35  -4.152   8.265  -4.439
  209   1HB   GLN  35          HB2       GLN  35  -2.601   7.359  -6.572
  210   2HB   GLN  35          HB1       GLN  35  -3.973   6.251  -6.546
  211   1HG   GLN  35          HG2       GLN  35  -5.540   7.986  -6.830
  212   2HG   GLN  35          HG1       GLN  35  -4.392   9.226  -6.321
  213   1HE2  GLN  35          1HE2      GLN  35  -2.207   8.949  -7.874
  214   2HE2  GLN  35          2HE2      GLN  35  -2.587   8.989  -9.529
  215    H    CYS  36           H        CYS  36  -3.731   6.455  -2.331
  216    HA   CYS  36           HA       CYS  36  -4.884   4.768  -1.187
  217   1HB   CYS  36          HB2       CYS  36  -6.767   4.938  -3.561
  218   2HB   CYS  36          HB1       CYS  36  -7.107   4.121  -2.035
  219    H    LYS  37           H        LYS  37  -2.780   4.208  -3.194
  220    HA   LYS  37           HA       LYS  37  -3.543   1.381  -3.802
  221   1HB   LYS  37          HB2       LYS  37  -1.669   3.139  -5.414
  222   2HB   LYS  37          HB1       LYS  37  -2.147   1.486  -5.803
  223   1HG   LYS  37          HG2       LYS  37  -4.469   2.177  -6.087
  224   2HG   LYS  37          HG1       LYS  37  -4.073   3.819  -5.575
  225   1HD   LYS  37          HD2       LYS  37  -3.134   4.361  -7.586
  226   2HD   LYS  37          HD1       LYS  37  -2.443   2.754  -7.809
  227   1HE   LYS  37          HE2       LYS  37  -4.950   2.024  -8.108
  228   2HE   LYS  37          HE1       LYS  37  -5.206   3.731  -8.465
  229   1HZ   LYS  37          HZ1       LYS  37  -4.073   3.595 -10.387
  230   2HZ   LYS  37          HZ2       LYS  37  -4.476   1.949 -10.292
  231   3HZ   LYS  37          HZ3       LYS  37  -2.944   2.482  -9.788
  232    H    PHE  38           H        PHE  38  -2.139  -0.132  -2.974
  233    HA   PHE  38           HA       PHE  38  -0.232   0.465  -1.019
  234   1HB   PHE  38          HB2       PHE  38  -0.391  -1.877  -2.932
  235   2HB   PHE  38          HB1       PHE  38   0.773  -1.803  -1.609
  236    HD1  PHE  38           HD2      PHE  38  -0.778  -0.495   0.527
  237    HD2  PHE  38           HD1      PHE  38  -1.960  -3.510  -2.296
  238    HE1  PHE  38           HE2      PHE  38  -2.517  -1.295   2.105
  239    HE2  PHE  38           HE1      PHE  38  -3.698  -4.306  -0.716
  240    HZ   PHE  38           HZ       PHE  38  -3.975  -3.199   1.485
  241    H    SER  39           H        SER  39   1.704   1.499  -1.142
  242    HA   SER  39           HA       SER  39   2.861   2.344  -3.617
  243   1HB   SER  39          HB2       SER  39   3.304   2.888  -0.919
  244   2HB   SER  39          HB1       SER  39   4.792   2.102  -1.434
  245    HG   SER  39           HG       SER  39   3.774   4.558  -2.078
  246    H    ARG  40           H        ARG  40   5.523   1.724  -3.615
  247    HA   ARG  40           HA       ARG  40   5.462  -1.214  -4.125
  248   1HB   ARG  40          HB2       ARG  40   7.340   0.934  -5.159
  249   2HB   ARG  40          HB1       ARG  40   7.457  -0.779  -5.552
  250   1HG   ARG  40          HG2       ARG  40   4.775   0.357  -5.973
  251   2HG   ARG  40          HG1       ARG  40   6.022   1.057  -7.006
  252   1HD   ARG  40          HD2       ARG  40   6.296  -1.835  -6.809
  253   2HD   ARG  40          HD1       ARG  40   4.710  -1.374  -7.426
  254    HE   ARG  40           HE       ARG  40   5.787  -0.349  -9.323
  255   1HH1  ARG  40          1HH1      ARG  40   7.530  -2.839  -8.089
  256   2HH1  ARG  40          2HH1      ARG  40   9.079  -2.320  -8.661
  257   1HH2  ARG  40          1HH2      ARG  40   7.972   0.827  -9.607
  258   2HH2  ARG  40          2HH2      ARG  40   9.330  -0.243  -9.519
  259    H    ALA  41           H        ALA  41   7.163  -2.528  -3.294
  260    HA   ALA  41           HA       ALA  41   8.089  -1.983  -0.698
  261   1HB   ALA  41          HB1       ALA  41   9.044  -4.036  -0.863
  262   2HB   ALA  41          HB2       ALA  41   9.968  -3.586  -2.298
  263   3HB   ALA  41          HB3       ALA  41   8.289  -4.105  -2.454
  264    H    GLY  42           H        GLY  42  10.546  -1.755  -0.132
  265   1HA   GLY  42          HA2       GLY  42  12.521  -0.467  -0.296
  266   2HA   GLY  42          HA1       GLY  42  12.198  -0.306  -2.017
  267    H    LYS  43           H        LYS  43   9.721   0.517   0.291
  268    HA   LYS  43           HA       LYS  43  10.027   3.366  -0.559
  269   1HB   LYS  43          HB2       LYS  43   7.856   2.552  -1.100
  270   2HB   LYS  43          HB1       LYS  43   7.683   1.762   0.463
  271   1HG   LYS  43          HG2       LYS  43   6.392   3.915   0.254
  272   2HG   LYS  43          HG1       LYS  43   7.532   3.889   1.599
  273   1HD   LYS  43          HD2       LYS  43   8.623   5.664   0.756
  274   2HD   LYS  43          HD1       LYS  43   8.881   4.815  -0.768
  275   1HE   LYS  43          HE2       LYS  43   6.120   5.730  -0.424
  276   2HE   LYS  43          HE1       LYS  43   7.287   7.051  -0.438
  277   1HZ   LYS  43          HZ1       LYS  43   7.023   6.805  -2.654
  278   2HZ   LYS  43          HZ2       LYS  43   6.583   5.168  -2.547
  279   3HZ   LYS  43          HZ3       LYS  43   8.217   5.620  -2.443
  280    H    ILE  44           H        ILE  44  11.327   4.379   0.909
  281    HA   ILE  44           HA       ILE  44  11.675   3.720   3.630
  282    HB   ILE  44           HB       ILE  44  13.193   5.250   2.506
  283   1HG1  ILE  44          2HG1      ILE  44  13.046   7.228   4.148
  284   2HG1  ILE  44          1HG1      ILE  44  11.608   6.436   4.795
  285   1HG2  ILE  44          1HG2      ILE  44  11.488   7.610   2.525
  286   2HG2  ILE  44          2HG2      ILE  44  10.833   6.349   1.482
  287   3HG2  ILE  44          3HG2      ILE  44  12.467   6.952   1.214
  288   1HD1  ILE  44          1HD1      ILE  44  13.172   4.319   4.888
  289   2HD1  ILE  44          2HD1      ILE  44  13.272   5.539   6.158
  290   3HD1  ILE  44          3HD1      ILE  44  14.465   5.518   4.859
  291    H    CYS  45           H        CYS  45   9.882   3.452   4.921
  292    HA   CYS  45           HA       CYS  45   7.730   5.506   4.827
  293   1HB   CYS  45          HB2       CYS  45   6.652   3.936   6.527
  294   2HB   CYS  45          HB1       CYS  45   6.801   3.337   4.878
  295    H    ARG  46           H        ARG  46  10.545   4.800   6.598
  296    HA   ARG  46           HA       ARG  46   9.962   6.968   8.465
  297   1HB   ARG  46          HB2       ARG  46   9.625   4.155   9.252
  298   2HB   ARG  46          HB1       ARG  46  10.714   5.057  10.307
  299   1HG   ARG  46          HG2       ARG  46   9.053   6.429  11.079
  300   2HG   ARG  46          HG1       ARG  46   8.206   6.445   9.532
  301   1HD   ARG  46          HD2       ARG  46   7.155   4.374   9.948
  302   2HD   ARG  46          HD1       ARG  46   8.300   3.949  11.220
  303    HE   ARG  46           HE       ARG  46   6.096   5.938  11.503
  304   1HH1  ARG  46          1HH2      ARG  46   8.618   6.336  13.194
  305   2HH1  ARG  46          2HH2      ARG  46   8.164   5.526  14.655
  306   1HH2  ARG  46          1HH1      ARG  46   5.485   3.862  13.215
  307   2HH2  ARG  46          2HH1      ARG  46   6.388   4.129  14.669
  308    H    ILE  47           H        ILE  47  11.860   7.962   8.980
  309    HA   ILE  47           HA       ILE  47  14.365   6.435   8.439
  310    HB   ILE  47           HB       ILE  47  13.517   8.694   7.141
  311   1HG1  ILE  47          2HG1      ILE  47  15.336   7.225   6.433
  312   2HG1  ILE  47          1HG1      ILE  47  15.881   8.903   6.408
  313   1HG2  ILE  47          1HG2      ILE  47  13.732  10.140   9.092
  314   2HG2  ILE  47          2HG2      ILE  47  14.987  10.547   7.922
  315   3HG2  ILE  47          3HG2      ILE  47  15.388   9.593   9.349
  316   1HD1  ILE  47          1HD1      ILE  47  17.596   8.260   7.718
  317   2HD1  ILE  47          2HD1      ILE  47  16.873   6.674   7.992
  318   3HD1  ILE  47          3HD1      ILE  47  16.418   8.039   9.011
  319    HA   PRO  48           HA       PRO  48  14.726   7.173  12.852
  320   1HB   PRO  48          HB2       PRO  48  16.791   5.394  13.211
  321   2HB   PRO  48          HB1       PRO  48  15.087   4.915  13.126
  322   1HG   PRO  48          HG2       PRO  48  17.228   4.607  11.070
  323   2HG   PRO  48          HG1       PRO  48  15.770   3.636  11.326
  324   1HD   PRO  48          HD2       PRO  48  16.103   5.613   9.336
  325   2HD   PRO  48          HD1       PRO  48  14.560   4.893   9.837
  326    H    ARG  49           H        ARG  49  16.321   8.252  14.164
  327    HA   ARG  49           HA       ARG  49  18.129   9.974  12.707
  328   1HB   ARG  49          HB2       ARG  49  17.747   9.434  15.664
  329   2HB   ARG  49          HB1       ARG  49  18.889  10.627  15.042
  330   1HG   ARG  49          HG2       ARG  49  16.176  10.816  13.895
  331   2HG   ARG  49          HG1       ARG  49  16.268  11.167  15.620
  332   1HD   ARG  49          HD2       ARG  49  18.339  12.388  13.849
  333   2HD   ARG  49          HD1       ARG  49  16.709  13.062  13.791
  334    HE   ARG  49           HE       ARG  49  18.514  13.702  15.798
  335   1HH1  ARG  49          1HH2      ARG  49  15.695  14.715  15.781
  336   2HH1  ARG  49          2HH2      ARG  49  15.073  14.080  17.267
  337   1HH2  ARG  49          1HH1      ARG  49  17.613  11.754  17.649
  338   2HH2  ARG  49          2HH1      ARG  49  16.159  12.407  18.326
  339    H    GLY  50           H        GLY  50  20.314   9.726  12.358
  340   1HA   GLY  50          HA2       GLY  50  22.508   8.827  12.946
  341   2HA   GLY  50          HA1       GLY  50  21.698   7.461  13.715
  342    H    ASP  51           H        ASP  51  19.801   7.260  11.394
  343    HA   ASP  51           HA       ASP  51  19.706   6.281   9.254
  344   1HB   ASP  51          HB2       ASP  51  21.900   7.876   9.055
  345   2HB   ASP  51          HB1       ASP  51  22.638   6.289   8.834
  346    H    MET  52           H        MET  52  19.219   4.360  10.638
  347    HA   MET  52           HA       MET  52  21.248   2.272  10.130
  348   1HB   MET  52          HB2       MET  52  20.284   3.115  12.821
  349   2HB   MET  52          HB1       MET  52  20.543   1.393  12.542
  350   1HG   MET  52          HG2       MET  52  22.654   2.101  13.268
  351   2HG   MET  52          HG1       MET  52  22.822   2.163  11.515
  352   1HE   MET  52          HE1       MET  52  23.713   3.856  14.567
  353   2HE   MET  52          HE2       MET  52  21.975   4.079  14.738
  354   3HE   MET  52          HE3       MET  52  23.022   5.484  14.554
  355    HA   PRO  53           HA       PRO  53  17.260  -0.158  10.526
  356   1HB   PRO  53          HB2       PRO  53  15.163   0.762  12.044
  357   2HB   PRO  53          HB1       PRO  53  16.482  -0.225  12.700
  358   1HG   PRO  53          HG2       PRO  53  16.001   2.709  13.000
  359   2HG   PRO  53          HG1       PRO  53  16.809   1.584  14.104
  360   1HD   PRO  53          HD2       PRO  53  18.116   3.388  12.402
  361   2HD   PRO  53          HD1       PRO  53  18.853   1.975  13.179
  362    H    ASP  54           H        ASP  54  17.445   1.193   8.407
  363    HA   ASP  54           HA       ASP  54  15.637   3.330   7.853
  364   1HB   ASP  54          HB2       ASP  54  16.448   1.302   5.782
  365   2HB   ASP  54          HB1       ASP  54  16.224   3.042   5.594
  366    H    ASP  55           H        ASP  55  13.451   3.140   8.104
  367    HA   ASP  55           HA       ASP  55  12.066   0.607   7.926
  368   1HB   ASP  55          HB2       ASP  55  10.897   3.399   7.738
  369   2HB   ASP  55          HB1       ASP  55  10.031   1.924   8.158
  370    H    ARG  56           H        ARG  56  10.923  -0.247   6.161
  371    HA   ARG  56           HA       ARG  56  10.796   1.321   3.645
  372   1HB   ARG  56          HB2       ARG  56  13.017   0.008   3.891
  373   2HB   ARG  56          HB1       ARG  56  12.026  -1.424   3.624
  374   1HG   ARG  56          HG2       ARG  56  12.395  -0.995   1.431
  375   2HG   ARG  56          HG1       ARG  56  11.132   0.219   1.633
  376   1HD   ARG  56          HD2       ARG  56  13.165   1.172   0.570
  377   2HD   ARG  56          HD1       ARG  56  12.820   1.930   2.123
  378    HE   ARG  56           HE       ARG  56  14.624   0.478   3.090
  379   1HH1  ARG  56          1HH1      ARG  56  15.166   2.220   0.380
  380   2HH1  ARG  56          2HH1      ARG  56  16.474   1.267  -0.237
  381   1HH2  ARG  56          1HH2      ARG  56  15.983  -1.335   2.002
  382   2HH2  ARG  56          2HH2      ARG  56  16.936  -0.747   0.681
  383    H    CYS  57           H        CYS  57   8.637   1.078   3.171
  384    HA   CYS  57           HA       CYS  57   6.989  -1.060   4.054
  385   1HB   CYS  57          HB2       CYS  57   6.727   0.781   1.666
  386   2HB   CYS  57          HB1       CYS  57   5.482  -0.375   2.127
  387    H    THR  58           H        THR  58   6.336  -2.978   3.025
  388    HA   THR  58           HA       THR  58   8.332  -4.194   1.282
  389    HB   THR  58           HB       THR  58   7.122  -6.222   1.609
  390    HG1  THR  58           HG1      THR  58   4.952  -5.686   2.839
  391   1HG2  THR  58          1HG2      THR  58   7.658  -4.458   3.821
  392   2HG2  THR  58          2HG2      THR  58   7.796  -6.215   3.754
  393   3HG2  THR  58          3HG2      THR  58   6.262  -5.467   4.198
  394    H    GLY  59           H        GLY  59   5.871  -2.111   0.618
  395   1HA   GLY  59          HA2       GLY  59   5.139  -1.492  -1.572
  396   2HA   GLY  59          HA1       GLY  59   5.767  -3.025  -2.182
  397    H    GLN  60           H        GLN  60   4.467  -4.773  -0.364
  398    HA   GLN  60           HA       GLN  60   1.770  -4.747  -1.518
  399   1HB   GLN  60          HB2       GLN  60   3.261  -6.669   0.283
  400   2HB   GLN  60          HB1       GLN  60   1.560  -6.892  -0.126
  401   1HG   GLN  60          HG2       GLN  60   2.026  -7.525  -2.261
  402   2HG   GLN  60          HG1       GLN  60   3.310  -6.329  -2.436
  403   1HE2  GLN  60          1HE2      GLN  60   2.676  -9.403  -0.643
  404   2HE2  GLN  60          2HE2      GLN  60   4.265  -9.981  -0.788
  405    H    SER  61           H        SER  61   3.301  -3.646   1.346
  406    HA   SER  61           HA       SER  61   0.733  -3.651   2.849
  407   1HB   SER  61          HB2       SER  61   2.511  -4.383   4.233
  408   2HB   SER  61          HB1       SER  61   3.606  -3.146   3.626
  409    HG   SER  61           HG       SER  61   1.822  -3.041   5.660
  410    H    ALA  62           H        ALA  62  -0.113  -1.672   3.699
  411    HA   ALA  62           HA       ALA  62   0.592   0.699   2.046
  412   1HB   ALA  62          HB1       ALA  62  -1.826  -0.145   3.627
  413   2HB   ALA  62          HB2       ALA  62  -1.728   0.378   1.945
  414   3HB   ALA  62          HB3       ALA  62  -1.579   1.560   3.246
  415    H    ASP  63           H        ASP  63  -0.015  -0.208   5.445
  416    HA   ASP  63           HA       ASP  63   1.085   2.346   6.392
  417   1HB   ASP  63          HB2       ASP  63   0.520  -0.077   8.105
  418   2HB   ASP  63          HB1       ASP  63   0.464   1.627   8.561
  419    H    CYS  64           H        CYS  64   2.885   2.147   8.143
  420    HA   CYS  64           HA       CYS  64   4.930   0.283   7.050
  421   1HB   CYS  64          HB2       CYS  64   5.529   2.630   6.803
  422   2HB   CYS  64          HB1       CYS  64   5.357   2.876   8.527
  423    HA   PRO  65           HA       PRO  65   4.709  -1.745  10.936
  424   1HB   PRO  65          HB2       PRO  65   6.675  -3.555  10.344
  425   2HB   PRO  65          HB1       PRO  65   5.016  -3.706   9.766
  426   1HG   PRO  65          HG2       PRO  65   7.479  -2.937   8.286
  427   2HG   PRO  65          HG1       PRO  65   5.973  -3.641   7.670
  428   1HD   PRO  65          HD2       PRO  65   6.740  -0.919   7.500
  429   2HD   PRO  65          HD1       PRO  65   5.129  -1.583   7.159
  430    H    ARG  66           H        ARG  66   6.982  -2.891  12.133
  431    HA   ARG  66           HA       ARG  66   8.960  -0.678  12.349
  432   1HB   ARG  66          HB2       ARG  66   8.841  -0.976  14.883
  433   2HB   ARG  66          HB1       ARG  66   7.463  -0.160  14.143
  434   1HG   ARG  66          HG2       ARG  66   6.670  -2.765  13.966
  435   2HG   ARG  66          HG1       ARG  66   7.602  -2.801  15.464
  436   1HD   ARG  66          HD2       ARG  66   6.173  -0.486  15.778
  437   2HD   ARG  66          HD1       ARG  66   5.025  -1.483  14.883
  438    HE   ARG  66           HE       ARG  66   6.250  -2.903  17.115
  439   1HH1  ARG  66          1HH1      ARG  66   4.935  -0.267  18.058
  440   2HH1  ARG  66          2HH1      ARG  66   3.367  -0.849  18.508
  441   1HH2  ARG  66          1HH2      ARG  66   3.720  -3.872  16.844
  442   2HH2  ARG  66          2HH2      ARG  66   2.677  -2.889  17.816
  443    H    TYR  67           H        TYR  67  11.031  -1.390  13.033
  444    HA   TYR  67           HA       TYR  67  11.476  -4.285  12.683
  445   1HB   TYR  67          HB2       TYR  67  13.223  -1.845  12.783
  446   2HB   TYR  67          HB1       TYR  67  13.941  -3.429  13.078
  447    HD1  TYR  67           HD1      TYR  67  11.895  -1.487  10.636
  448    HD2  TYR  67           HD2      TYR  67  14.376  -4.931  11.298
  449    HE1  TYR  67           HE1      TYR  67  11.920  -1.937   8.198
  450    HE2  TYR  67           HE2      TYR  67  14.402  -5.380   8.859
  451    HH   TYR  67           HH       TYR  67  12.816  -3.171   6.566
  452    H    HIS  68           H        HIS  68  10.077  -4.146  14.939
  453    HA   HIS  68           HA       HIS  68  12.109  -4.255  17.134
  454   1HB   HIS  68          HB2       HIS  68   9.680  -2.806  16.989
  455   2HB   HIS  68          HB1       HIS  68   9.401  -4.132  18.117
  456    HD1  HIS  68           HD1      HIS  68   9.716  -1.106  19.000
  457    HD2  HIS  68           HD2      HIS  68  12.738  -3.975  19.118
  458    HE1  HIS  68           HE1      HIS  68  11.396  -0.306  20.718
  Start of MODEL   16
    1   1H    GLY   1          HT1       GLY   1 -11.552 -12.375   7.647
    2   2H    GLY   1          HT2       GLY   1  -9.987 -11.715   7.640
    3   3H    GLY   1          HT3       GLY   1 -11.341 -10.698   7.502
    4   1HA   GLY   1          HA1       GLY   1 -11.822 -12.041   9.814
    5   2HA   GLY   1          HA2       GLY   1 -10.082 -11.757   9.846
    6    H    LYS   2           H        LYS   2  -9.695  -9.356   8.746
    7    HA   LYS   2           HA       LYS   2 -10.801  -7.527  10.707
    8   1HB   LYS   2          HB2       LYS   2  -9.024  -7.197   8.290
    9   2HB   LYS   2          HB1       LYS   2  -9.601  -5.803   9.205
   10   1HG   LYS   2          HG2       LYS   2  -8.298  -8.121  10.619
   11   2HG   LYS   2          HG1       LYS   2  -7.315  -6.862   9.871
   12   1HD   LYS   2          HD2       LYS   2  -8.715  -5.170  11.162
   13   2HD   LYS   2          HD1       LYS   2  -9.374  -6.537  12.062
   14   1HE   LYS   2          HE2       LYS   2  -7.418  -6.912  13.192
   15   2HE   LYS   2          HE1       LYS   2  -6.416  -6.436  11.822
   16   1HZ   LYS   2          HZ1       LYS   2  -7.353  -4.103  12.306
   17   2HZ   LYS   2          HZ2       LYS   2  -6.115  -4.711  13.298
   18   3HZ   LYS   2          HZ3       LYS   2  -7.726  -4.734  13.836
   19    H    GLU   3           H        GLU   3 -12.059  -5.583  10.143
   20    HA   GLU   3           HA       GLU   3 -13.735  -5.962   7.693
   21   1HB   GLU   3          HB2       GLU   3 -14.750  -6.445  10.099
   22   2HB   GLU   3          HB1       GLU   3 -14.890  -4.686  10.141
   23   1HG   GLU   3          HG2       GLU   3 -15.768  -5.515   7.573
   24   2HG   GLU   3          HG1       GLU   3 -16.545  -6.580   8.744
   25    H    CYS   4           H        CYS   4 -11.395  -4.106   8.844
   26    HA   CYS   4           HA       CYS   4 -12.574  -1.668   7.611
   27   1HB   CYS   4          HB2       CYS   4 -12.531  -1.505  10.147
   28   2HB   CYS   4          HB1       CYS   4 -10.771  -1.566  10.039
   29    H    ASP   5           H        ASP   5 -11.253  -0.750   6.122
   30    HA   ASP   5           HA       ASP   5  -8.423  -1.715   6.008
   31   1HB   ASP   5          HB2       ASP   5 -10.489  -1.746   4.034
   32   2HB   ASP   5          HB1       ASP   5  -9.266  -0.589   3.511
   33    H    CYS   6           H        CYS   6 -10.215   0.872   6.904
   34    HA   CYS   6           HA       CYS   6  -7.996   2.751   6.276
   35   1HB   CYS   6          HB2       CYS   6  -9.655   4.522   5.741
   36   2HB   CYS   6          HB1       CYS   6  -9.738   3.182   4.598
   37    H    SER   7           H        SER   7  -7.347   3.649   8.178
   38    HA   SER   7           HA       SER   7  -8.867   3.270  10.610
   39   1HB   SER   7          HB2       SER   7  -6.275   4.497   9.851
   40   2HB   SER   7          HB1       SER   7  -7.034   5.153  11.299
   41    HG   SER   7           HG       SER   7  -6.527   2.408  10.752
   42    H    SER   8           H        SER   8  -9.009   5.586   8.113
   43    HA   SER   8           HA       SER   8 -10.262   7.599   9.916
   44   1HB   SER   8          HB2       SER   8  -9.446   7.854   7.007
   45   2HB   SER   8          HB1       SER   8 -10.036   9.157   8.035
   46    HG   SER   8           HG       SER   8  -8.207   8.980   9.278
   47    HA   PRO   9           HA       PRO   9 -14.155   6.145   8.333
   48   1HB   PRO   9          HB2       PRO   9 -15.703   7.980   9.668
   49   2HB   PRO   9          HB1       PRO   9 -15.007   6.543  10.437
   50   1HG   PRO   9          HG2       PRO   9 -14.169   9.394  10.680
   51   2HG   PRO   9          HG1       PRO   9 -13.955   8.061  11.826
   52   1HD   PRO   9          HD2       PRO   9 -11.968   9.103  10.095
   53   2HD   PRO   9          HD1       PRO   9 -11.865   7.588  11.014
   54    H    GLU  10           H        GLU  10 -13.162   9.542   8.222
   55    HA   GLU  10           HA       GLU  10 -15.165  10.167   6.147
   56   1HB   GLU  10          HB2       GLU  10 -14.348  11.763   8.023
   57   2HB   GLU  10          HB1       GLU  10 -12.917  11.979   7.015
   58   1HG   GLU  10          HG2       GLU  10 -15.089  12.202   5.250
   59   2HG   GLU  10          HG1       GLU  10 -15.569  13.108   6.686
   60    H    ASN  11           H        ASN  11 -13.390   8.132   5.371
   61    HA   ASN  11           HA       ASN  11 -11.441   9.467   3.567
   62   1HB   ASN  11          HB2       ASN  11 -10.509   7.647   4.850
   63   2HB   ASN  11          HB1       ASN  11 -11.835   6.578   4.392
   64   1HD2  ASN  11          1HD2      ASN  11  -9.517   5.452   3.747
   65   2HD2  ASN  11          2HD2      ASN  11  -9.115   5.645   2.110
   66    HA   PRO  12           HA       PRO  12 -14.443   8.859   0.326
   67   1HB   PRO  12          HB2       PRO  12 -12.864   9.858  -1.695
   68   2HB   PRO  12          HB1       PRO  12 -13.755  10.875  -0.549
   69   1HG   PRO  12          HG2       PRO  12 -10.831  10.268  -0.644
   70   2HG   PRO  12          HG1       PRO  12 -11.659  11.706  -0.022
   71   1HD   PRO  12          HD2       PRO  12 -10.614   9.624   1.557
   72   2HD   PRO  12          HD1       PRO  12 -11.788  10.840   2.099
   73    H    CYS  13           H        CYS  13 -11.178   7.592   0.358
   74    HA   CYS  13           HA       CYS  13 -11.719   5.782  -1.912
   75   1HB   CYS  13          HB2       CYS  13  -9.360   6.770  -0.490
   76   2HB   CYS  13          HB1       CYS  13  -9.295   5.030  -0.772
   77    H    CYS  14           H        CYS  14 -12.671   5.804   1.190
   78    HA   CYS  14           HA       CYS  14 -12.688   2.837   1.316
   79   1HB   CYS  14          HB2       CYS  14 -10.850   3.381   2.755
   80   2HB   CYS  14          HB1       CYS  14 -11.741   4.709   3.494
   81    H    ASP  15           H        ASP  15 -14.624   2.044   1.963
   82    HA   ASP  15           HA       ASP  15 -16.832   3.905   2.370
   83   1HB   ASP  15          HB2       ASP  15 -16.747   1.493   1.237
   84   2HB   ASP  15          HB1       ASP  15 -17.108   0.974   2.882
   85    H    ALA  16           H        ALA  16 -17.267   4.771   4.341
   86    HA   ALA  16           HA       ALA  16 -16.070   3.778   6.775
   87   1HB   ALA  16          HB1       ALA  16 -16.524   6.020   7.025
   88   2HB   ALA  16          HB2       ALA  16 -18.021   5.382   7.708
   89   3HB   ALA  16          HB3       ALA  16 -17.983   5.941   6.037
   90    H    ALA  17           H        ALA  17 -19.207   3.359   5.214
   91    HA   ALA  17           HA       ALA  17 -20.699   2.258   7.328
   92   1HB   ALA  17          HB1       ALA  17 -21.575   2.682   5.024
   93   2HB   ALA  17          HB2       ALA  17 -21.985   1.073   5.621
   94   3HB   ALA  17          HB3       ALA  17 -20.674   1.276   4.457
   95    H    THR  18           H        THR  18 -18.448   0.606   5.106
   96    HA   THR  18           HA       THR  18 -18.534  -1.781   6.885
   97    HB   THR  18           HB       THR  18 -17.357  -2.926   5.030
   98    HG1  THR  18           HG1      THR  18 -16.994  -1.778   3.128
   99   1HG2  THR  18          1HG2      THR  18 -19.741  -1.353   4.018
  100   2HG2  THR  18          2HG2      THR  18 -19.861  -2.752   5.087
  101   3HG2  THR  18          3HG2      THR  18 -19.202  -2.938   3.462
  102    H    CYS  19           H        CYS  19 -16.656   0.973   6.156
  103    HA   CYS  19           HA       CYS  19 -14.644   1.699   7.148
  104   1HB   CYS  19          HB2       CYS  19 -15.527  -0.098   8.956
  105   2HB   CYS  19          HB1       CYS  19 -14.087  -0.946   8.396
  106    H    LYS  20           H        LYS  20 -15.038  -0.372   4.748
  107    HA   LYS  20           HA       LYS  20 -12.112  -0.962   4.499
  108   1HB   LYS  20          HB2       LYS  20 -14.483  -2.437   3.322
  109   2HB   LYS  20          HB1       LYS  20 -12.799  -2.782   2.926
  110   1HG   LYS  20          HG2       LYS  20 -13.536  -2.700   5.820
  111   2HG   LYS  20          HG1       LYS  20 -14.075  -4.094   4.881
  112   1HD   LYS  20          HD2       LYS  20 -11.304  -3.387   4.295
  113   2HD   LYS  20          HD1       LYS  20 -11.547  -3.764   6.001
  114   1HE   LYS  20          HE2       LYS  20 -12.576  -5.526   3.765
  115   2HE   LYS  20          HE1       LYS  20 -11.000  -5.757   4.521
  116   1HZ   LYS  20          HZ1       LYS  20 -12.192  -5.852   6.685
  117   2HZ   LYS  20          HZ2       LYS  20 -12.542  -7.144   5.637
  118   3HZ   LYS  20          HZ3       LYS  20 -13.657  -5.875   5.829
  119    H    LEU  21           H        LEU  21 -11.507  -1.191   2.055
  120    HA   LEU  21           HA       LEU  21 -11.783   1.346   0.819
  121   1HB   LEU  21          HB2       LEU  21 -10.837  -1.347  -0.093
  122   2HB   LEU  21          HB1       LEU  21 -11.058  -0.069  -1.288
  123    HG   LEU  21           HG       LEU  21  -9.697   0.954   1.057
  124   1HD1  LEU  21          1HD1      LEU  21  -9.008  -1.719   0.369
  125   2HD1  LEU  21          2HD1      LEU  21  -8.174  -0.644   1.492
  126   3HD1  LEU  21          3HD1      LEU  21  -7.704  -0.683  -0.207
  127   1HD2  LEU  21          1HD2      LEU  21  -8.106   0.796  -1.353
  128   2HD2  LEU  21          2HD2      LEU  21  -8.813   2.217  -0.585
  129   3HD2  LEU  21          3HD2      LEU  21  -9.757   1.285  -1.746
  130    H    ARG  22           H        ARG  22 -13.379   2.194  -0.452
  131    HA   ARG  22           HA       ARG  22 -15.728   0.507  -1.012
  132   1HB   ARG  22          HB2       ARG  22 -15.739   2.969  -0.153
  133   2HB   ARG  22          HB1       ARG  22 -15.479   3.385  -1.845
  134   1HG   ARG  22          HG2       ARG  22 -17.518   1.403  -1.773
  135   2HG   ARG  22          HG1       ARG  22 -17.925   2.624  -0.567
  136   1HD   ARG  22          HD2       ARG  22 -17.873   4.380  -2.177
  137   2HD   ARG  22          HD1       ARG  22 -17.076   3.357  -3.373
  138    HE   ARG  22           HE       ARG  22 -19.268   2.838  -4.050
  139   1HH1  ARG  22          1HH1      ARG  22 -19.942   4.482  -1.329
  140   2HH1  ARG  22          2HH1      ARG  22 -21.184   3.434  -0.730
  141   1HH2  ARG  22          1HH2      ARG  22 -20.489   0.887  -2.979
  142   2HH2  ARG  22          2HH2      ARG  22 -21.494   1.399  -1.663
  143    HA   PRO  23           HA       PRO  23 -14.478   1.686  -5.461
  144   1HB   PRO  23          HB2       PRO  23 -12.017   2.847  -5.837
  145   2HB   PRO  23          HB1       PRO  23 -13.502   3.771  -5.550
  146   1HG   PRO  23          HG2       PRO  23 -11.226   3.265  -3.700
  147   2HG   PRO  23          HG1       PRO  23 -12.402   4.589  -3.697
  148   1HD   PRO  23          HD2       PRO  23 -12.422   2.301  -2.005
  149   2HD   PRO  23          HD1       PRO  23 -13.712   3.509  -2.166
  150    H    GLY  24           H        GLY  24 -12.141   1.211  -6.901
  151   1HA   GLY  24          HA2       GLY  24 -11.515  -1.560  -6.073
  152   2HA   GLY  24          HA1       GLY  24 -11.136  -0.840  -7.639
  153    H    ALA  25           H        ALA  25 -10.418   0.923  -4.731
  154    HA   ALA  25           HA       ALA  25  -7.590   1.009  -5.415
  155   1HB   ALA  25          HB1       ALA  25  -8.229   3.008  -4.441
  156   2HB   ALA  25          HB2       ALA  25  -7.622   2.170  -3.010
  157   3HB   ALA  25          HB3       ALA  25  -9.356   2.228  -3.330
  158    H    GLN  26           H        GLN  26  -5.876   0.054  -4.246
  159    HA   GLN  26           HA       GLN  26  -6.594  -2.394  -2.789
  160   1HB   GLN  26          HB2       GLN  26  -4.372  -1.495  -4.317
  161   2HB   GLN  26          HB1       GLN  26  -3.781  -1.806  -2.684
  162   1HG   GLN  26          HG2       GLN  26  -3.631  -3.949  -3.496
  163   2HG   GLN  26          HG1       GLN  26  -5.321  -3.988  -2.988
  164   1HE2  GLN  26          1HE2      GLN  26  -3.187  -3.974  -5.774
  165   2HE2  GLN  26          2HE2      GLN  26  -4.402  -4.141  -6.946
  166    H    CYS  27           H        CYS  27  -6.120   0.838  -1.973
  167    HA   CYS  27           HA       CYS  27  -6.080   0.197   0.877
  168   1HB   CYS  27          HB2       CYS  27  -4.023   1.721   1.199
  169   2HB   CYS  27          HB1       CYS  27  -3.726   0.083   0.615
  170    H    GLY  28           H        GLY  28  -6.883   1.938   2.092
  171   1HA   GLY  28          HA2       GLY  28  -7.890   4.213   0.468
  172   2HA   GLY  28          HA1       GLY  28  -8.523   3.725   2.037
  173    H    GLU  29           H        GLU  29  -5.560   3.441   2.893
  174    HA   GLU  29           HA       GLU  29  -4.518   6.141   2.802
  175   1HB   GLU  29          HB2       GLU  29  -4.894   6.698   5.164
  176   2HB   GLU  29          HB1       GLU  29  -6.428   6.475   4.328
  177   1HG   GLU  29          HG2       GLU  29  -6.890   5.106   6.094
  178   2HG   GLU  29          HG1       GLU  29  -5.964   3.934   5.157
  179    H    GLY  30           H        GLY  30  -2.567   6.348   4.212
  180   1HA   GLY  30          HA2       GLY  30  -1.208   4.771   5.846
  181   2HA   GLY  30          HA1       GLY  30  -1.193   3.718   4.427
  182    H    LEU  31           H        LEU  31   1.230   4.572   5.360
  183    HA   LEU  31           HA       LEU  31   1.991   6.969   3.854
  184   1HB   LEU  31          HB2       LEU  31   4.332   6.371   4.663
  185   2HB   LEU  31          HB1       LEU  31   3.170   6.842   5.888
  186    HG   LEU  31           HG       LEU  31   4.688   4.767   6.289
  187   1HD1  LEU  31          1HD1      LEU  31   3.265   4.375   7.975
  188   2HD1  LEU  31          2HD1      LEU  31   1.992   3.859   6.873
  189   3HD1  LEU  31          3HD1      LEU  31   2.205   5.570   7.232
  190   1HD2  LEU  31          1HD2      LEU  31   3.863   2.662   5.443
  191   2HD2  LEU  31          2HD2      LEU  31   4.099   3.727   4.063
  192   3HD2  LEU  31          3HD2      LEU  31   2.480   3.444   4.690
  193    H    CYS  32           H        CYS  32   1.527   3.771   3.117
  194    HA   CYS  32           HA       CYS  32   3.574   3.852   0.940
  195   1HB   CYS  32          HB2       CYS  32   3.728   1.930   2.536
  196   2HB   CYS  32          HB1       CYS  32   2.099   1.455   2.061
  197    H    CYS  33           H        CYS  33   0.313   4.304   1.546
  198    HA   CYS  33           HA       CYS  33  -0.613   3.087  -0.975
  199   1HB   CYS  33          HB2       CYS  33  -2.023   3.059   1.105
  200   2HB   CYS  33          HB1       CYS  33  -2.169   4.811   0.972
  201    H    GLU  34           H        GLU  34   0.038   4.222  -2.743
  202    HA   GLU  34           HA       GLU  34  -0.202   7.194  -2.672
  203   1HB   GLU  34          HB2       GLU  34   1.996   6.040  -3.348
  204   2HB   GLU  34          HB1       GLU  34   1.152   5.552  -4.818
  205   1HG   GLU  34          HG2       GLU  34   2.367   7.653  -5.194
  206   2HG   GLU  34          HG1       GLU  34   0.625   7.924  -5.291
  207    H    GLN  35           H        GLN  35  -2.032   7.977  -3.601
  208    HA   GLN  35           HA       GLN  35  -3.811   8.194  -5.121
  209   1HB   GLN  35          HB2       GLN  35  -1.804   7.450  -6.713
  210   2HB   GLN  35          HB1       GLN  35  -2.755   5.968  -6.819
  211   1HG   GLN  35          HG2       GLN  35  -4.725   7.791  -7.150
  212   2HG   GLN  35          HG1       GLN  35  -3.371   8.687  -7.841
  213   1HE2  GLN  35          1HE2      GLN  35  -5.498   7.757  -9.503
  214   2HE2  GLN  35          2HE2      GLN  35  -4.897   6.540 -10.522
  215    H    CYS  36           H        CYS  36  -3.852   6.346  -2.866
  216    HA   CYS  36           HA       CYS  36  -5.288   4.719  -1.996
  217   1HB   CYS  36          HB2       CYS  36  -6.674   5.115  -4.664
  218   2HB   CYS  36          HB1       CYS  36  -7.327   4.185  -3.318
  219    H    LYS  37           H        LYS  37  -2.874   3.992  -3.540
  220    HA   LYS  37           HA       LYS  37  -3.652   1.179  -4.092
  221   1HB   LYS  37          HB2       LYS  37  -2.407   3.095  -6.031
  222   2HB   LYS  37          HB1       LYS  37  -1.917   1.400  -6.081
  223   1HG   LYS  37          HG2       LYS  37  -4.667   1.225  -5.869
  224   2HG   LYS  37          HG1       LYS  37  -4.449   2.632  -6.910
  225   1HD   LYS  37          HD2       LYS  37  -3.983   1.271  -8.638
  226   2HD   LYS  37          HD1       LYS  37  -2.590   0.645  -7.756
  227   1HE   LYS  37          HE2       LYS  37  -4.411  -0.779  -6.486
  228   2HE   LYS  37          HE1       LYS  37  -5.374  -0.461  -7.927
  229   1HZ   LYS  37          HZ1       LYS  37  -3.821  -1.517  -9.286
  230   2HZ   LYS  37          HZ2       LYS  37  -3.928  -2.528  -7.925
  231   3HZ   LYS  37          HZ3       LYS  37  -2.605  -1.477  -8.104
  232    H    PHE  38           H        PHE  38  -2.024  -0.296  -3.547
  233    HA   PHE  38           HA       PHE  38  -0.088   0.476  -1.629
  234   1HB   PHE  38          HB2       PHE  38  -0.267  -1.963  -3.411
  235   2HB   PHE  38          HB1       PHE  38   0.966  -1.781  -2.165
  236    HD1  PHE  38           HD1      PHE  38  -0.282  -0.641   0.107
  237    HD2  PHE  38           HD2      PHE  38  -1.960  -3.398  -2.726
  238    HE1  PHE  38           HE1      PHE  38  -1.895  -1.418   1.823
  239    HE2  PHE  38           HE2      PHE  38  -3.574  -4.178  -1.011
  240    HZ   PHE  38           HZ       PHE  38  -3.541  -3.189   1.262
  241    H    SER  39           H        SER  39   1.840   1.503  -1.880
  242    HA   SER  39           HA       SER  39   2.838   2.198  -4.500
  243   1HB   SER  39          HB2       SER  39   4.191   2.365  -1.788
  244   2HB   SER  39          HB1       SER  39   4.763   3.143  -3.260
  245    HG   SER  39           HG       SER  39   2.114   3.555  -2.456
  246    H    ARG  40           H        ARG  40   5.701   1.496  -3.177
  247    HA   ARG  40           HA       ARG  40   5.678  -1.355  -4.048
  248   1HB   ARG  40          HB2       ARG  40   7.845   0.622  -4.790
  249   2HB   ARG  40          HB1       ARG  40   7.679  -1.043  -5.346
  250   1HG   ARG  40          HG2       ARG  40   6.613  -0.129  -7.132
  251   2HG   ARG  40          HG1       ARG  40   5.241   0.017  -6.035
  252   1HD   ARG  40          HD2       ARG  40   5.337   2.252  -6.251
  253   2HD   ARG  40          HD1       ARG  40   6.943   2.231  -5.525
  254    HE   ARG  40           HE       ARG  40   6.377   2.217  -8.444
  255   1HH1  ARG  40          1HH1      ARG  40   8.808   0.972  -6.617
  256   2HH1  ARG  40          2HH1      ARG  40  10.057   2.032  -7.177
  257   1HH2  ARG  40          1HH2      ARG  40   7.874   4.168  -8.819
  258   2HH2  ARG  40          2HH2      ARG  40   9.529   3.843  -8.423
  259    H    ALA  41           H        ALA  41   6.934  -2.680  -2.801
  260    HA   ALA  41           HA       ALA  41   7.671  -2.030  -0.196
  261   1HB   ALA  41          HB1       ALA  41   8.681  -4.127  -0.079
  262   2HB   ALA  41          HB2       ALA  41   9.345  -4.010  -1.707
  263   3HB   ALA  41          HB3       ALA  41   7.628  -4.340  -1.479
  264    H    GLY  42           H        GLY  42   9.967  -2.009   0.701
  265   1HA   GLY  42          HA2       GLY  42  12.101  -1.021   0.785
  266   2HA   GLY  42          HA1       GLY  42  12.117  -1.060  -0.981
  267    H    LYS  43           H        LYS  43   9.425   0.399   0.652
  268    HA   LYS  43           HA       LYS  43  10.283   3.036  -0.447
  269   1HB   LYS  43          HB2       LYS  43   7.990   2.076  -0.946
  270   2HB   LYS  43          HB1       LYS  43   7.604   2.317   0.757
  271   1HG   LYS  43          HG2       LYS  43   6.883   4.217  -0.736
  272   2HG   LYS  43          HG1       LYS  43   7.962   4.700   0.573
  273   1HD   LYS  43          HD2       LYS  43   9.815   4.920  -0.870
  274   2HD   LYS  43          HD1       LYS  43   9.053   3.958  -2.137
  275   1HE   LYS  43          HE2       LYS  43   7.433   5.719  -2.574
  276   2HE   LYS  43          HE1       LYS  43   8.041   6.661  -1.213
  277   1HZ   LYS  43          HZ1       LYS  43   9.258   6.180  -3.834
  278   2HZ   LYS  43          HZ2       LYS  43  10.282   6.398  -2.496
  279   3HZ   LYS  43          HZ3       LYS  43   9.175   7.612  -2.927
  280    H    ILE  44           H        ILE  44  11.505   4.161   1.000
  281    HA   ILE  44           HA       ILE  44  11.654   3.839   3.768
  282    HB   ILE  44           HB       ILE  44  13.248   5.250   2.633
  283   1HG1  ILE  44          2HG1      ILE  44  13.043   7.368   4.022
  284   2HG1  ILE  44          1HG1      ILE  44  11.479   6.765   4.571
  285   1HG2  ILE  44          1HG2      ILE  44  12.559   6.615   0.980
  286   2HG2  ILE  44          2HG2      ILE  44  11.768   7.642   2.177
  287   3HG2  ILE  44          3HG2      ILE  44  10.876   6.321   1.423
  288   1HD1  ILE  44          1HD1      ILE  44  12.655   4.653   5.315
  289   2HD1  ILE  44          2HD1      ILE  44  13.112   6.100   6.213
  290   3HD1  ILE  44          3HD1      ILE  44  14.184   5.461   4.966
  291    H    CYS  45           H        CYS  45   9.990   3.867   5.176
  292    HA   CYS  45           HA       CYS  45   7.844   5.919   4.792
  293   1HB   CYS  45          HB2       CYS  45   6.477   4.374   6.227
  294   2HB   CYS  45          HB1       CYS  45   6.918   3.702   4.659
  295    H    ARG  46           H        ARG  46  10.383   4.854   6.868
  296    HA   ARG  46           HA       ARG  46   9.604   6.952   8.815
  297   1HB   ARG  46          HB2       ARG  46   9.073   4.259   9.321
  298   2HB   ARG  46          HB1       ARG  46  10.577   4.572  10.189
  299   1HG   ARG  46          HG2       ARG  46   9.536   5.856  11.730
  300   2HG   ARG  46          HG1       ARG  46   8.647   6.746  10.494
  301   1HD   ARG  46          HD2       ARG  46   7.568   4.127  10.527
  302   2HD   ARG  46          HD1       ARG  46   7.708   4.631  12.210
  303    HE   ARG  46           HE       ARG  46   5.763   5.868  11.710
  304   1HH1  ARG  46          1HH2      ARG  46   5.492   5.180   8.851
  305   2HH1  ARG  46          2HH2      ARG  46   5.729   6.704   8.061
  306   1HH2  ARG  46          1HH1      ARG  46   7.182   8.210  10.825
  307   2HH2  ARG  46          2HH1      ARG  46   6.684   8.420   9.179
  308    H    ILE  47           H        ILE  47  11.363   8.120   9.370
  309    HA   ILE  47           HA       ILE  47  14.031   6.807   9.181
  310    HB   ILE  47           HB       ILE  47  13.396   8.397   7.233
  311   1HG1  ILE  47          2HG1      ILE  47  15.892   9.352   8.551
  312   2HG1  ILE  47          1HG1      ILE  47  15.755   7.619   8.252
  313   1HG2  ILE  47          1HG2      ILE  47  13.621  10.751   7.636
  314   2HG2  ILE  47          2HG2      ILE  47  14.147  10.481   9.297
  315   3HG2  ILE  47          3HG2      ILE  47  12.478  10.145   8.836
  316   1HD1  ILE  47          1HD1      ILE  47  15.807   7.867   5.974
  317   2HD1  ILE  47          2HD1      ILE  47  16.683   9.340   6.394
  318   3HD1  ILE  47          3HD1      ILE  47  14.960   9.413   6.018
  319    HA   PRO  48           HA       PRO  48  14.104   8.526  13.299
  320   1HB   PRO  48          HB2       PRO  48  16.506   7.394  14.000
  321   2HB   PRO  48          HB1       PRO  48  14.970   6.512  14.002
  322   1HG   PRO  48          HG2       PRO  48  17.229   6.342  12.062
  323   2HG   PRO  48          HG1       PRO  48  16.014   5.123  12.478
  324   1HD   PRO  48          HD2       PRO  48  16.009   6.748  10.159
  325   2HD   PRO  48          HD1       PRO  48  14.653   5.763  10.750
  326    H    ARG  49           H        ARG  49  17.434   8.295  12.026
  327    HA   ARG  49           HA       ARG  49  17.717  11.120  11.562
  328   1HB   ARG  49          HB2       ARG  49  18.112  10.151  14.283
  329   2HB   ARG  49          HB1       ARG  49  19.556  10.939  13.646
  330   1HG   ARG  49          HG2       ARG  49  16.760  12.102  13.794
  331   2HG   ARG  49          HG1       ARG  49  18.183  12.639  14.687
  332   1HD   ARG  49          HD2       ARG  49  19.038  12.723  12.054
  333   2HD   ARG  49          HD1       ARG  49  17.363  13.262  11.943
  334    HE   ARG  49           HE       ARG  49  18.718  14.600  14.109
  335   1HH1  ARG  49          1HH1      ARG  49  19.347  14.326  10.793
  336   2HH1  ARG  49          2HH1      ARG  49  19.333  16.030  10.483
  337   1HH2  ARG  49          1HH2      ARG  49  18.285  16.869  13.681
  338   2HH2  ARG  49          2HH2      ARG  49  18.736  17.470  12.120
  339    H    GLY  50           H        GLY  50  19.193   8.000  12.141
  340   1HA   GLY  50          HA2       GLY  50  20.748   7.618  10.013
  341   2HA   GLY  50          HA1       GLY  50  21.696   8.871  10.817
  342    H    ASP  51           H        ASP  51  21.239   8.053  13.513
  343    HA   ASP  51           HA       ASP  51  23.207   5.943  13.728
  344   1HB   ASP  51          HB2       ASP  51  22.590   6.052  16.192
  345   2HB   ASP  51          HB1       ASP  51  23.125   7.579  15.487
  346    H    MET  52           H        MET  52  19.915   5.872  13.055
  347    HA   MET  52           HA       MET  52  19.733   3.054  14.045
  348   1HB   MET  52          HB2       MET  52  17.953   5.316  14.459
  349   2HB   MET  52          HB1       MET  52  17.115   3.983  13.666
  350   1HG   MET  52          HG2       MET  52  17.219   2.668  15.513
  351   2HG   MET  52          HG1       MET  52  18.883   3.136  15.861
  352   1HE   MET  52          HE1       MET  52  15.118   5.559  16.677
  353   2HE   MET  52          HE2       MET  52  15.053   3.824  16.983
  354   3HE   MET  52          HE3       MET  52  15.473   4.413  15.376
  355    HA   PRO  53           HA       PRO  53  18.648   1.875   9.958
  356   1HB   PRO  53          HB2       PRO  53  16.616   0.073  10.378
  357   2HB   PRO  53          HB1       PRO  53  18.314  -0.265  10.748
  358   1HG   PRO  53          HG2       PRO  53  16.072   0.335  12.617
  359   2HG   PRO  53          HG1       PRO  53  17.559  -0.584  12.907
  360   1HD   PRO  53          HD2       PRO  53  17.068   2.090  13.714
  361   2HD   PRO  53          HD1       PRO  53  18.642   1.265  13.718
  362    H    ASP  54           H        ASP  54  16.521   1.446   8.498
  363    HA   ASP  54           HA       ASP  54  14.483   3.532   9.146
  364   1HB   ASP  54          HB2       ASP  54  15.603   3.102   6.368
  365   2HB   ASP  54          HB1       ASP  54  14.579   4.424   6.930
  366    H    ASP  55           H        ASP  55  12.379   2.987   8.515
  367    HA   ASP  55           HA       ASP  55  11.979   0.162   7.753
  368   1HB   ASP  55          HB2       ASP  55  10.676   1.431   9.589
  369   2HB   ASP  55          HB1       ASP  55   9.801   2.190   8.259
  370    H    ARG  56           H        ARG  56  10.886  -0.484   5.848
  371    HA   ARG  56           HA       ARG  56  10.331   1.676   3.865
  372   1HB   ARG  56          HB2       ARG  56  11.553  -0.940   3.033
  373   2HB   ARG  56          HB1       ARG  56  11.520   0.592   2.163
  374   1HG   ARG  56          HG2       ARG  56  12.836   1.259   4.495
  375   2HG   ARG  56          HG1       ARG  56  13.429  -0.370   4.170
  376   1HD   ARG  56          HD2       ARG  56  13.865   0.378   1.787
  377   2HD   ARG  56          HD1       ARG  56  13.522   2.024   2.320
  378    HE   ARG  56           HE       ARG  56  15.431   1.335   4.097
  379   1HH1  ARG  56          1HH2      ARG  56  15.300   1.876   0.775
  380   2HH1  ARG  56          2HH2      ARG  56  16.934   1.396   0.459
  381   1HH2  ARG  56          1HH1      ARG  56  17.494   0.234   3.679
  382   2HH2  ARG  56          2HH1      ARG  56  18.179   0.470   2.105
  383    H    CYS  57           H        CYS  57   8.569   1.274   2.495
  384    HA   CYS  57           HA       CYS  57   6.470  -0.363   3.403
  385   1HB   CYS  57          HB2       CYS  57   6.260   1.431   1.648
  386   2HB   CYS  57          HB1       CYS  57   7.009   0.328   0.498
  387    H    THR  58           H        THR  58   5.682  -2.426   2.584
  388    HA   THR  58           HA       THR  58   7.913  -4.206   1.745
  389    HB   THR  58           HB       THR  58   6.307  -6.031   2.477
  390    HG1  THR  58           HG1      THR  58   4.388  -4.924   2.384
  391   1HG2  THR  58          1HG2      THR  58   7.415  -5.929   4.432
  392   2HG2  THR  58          2HG2      THR  58   6.505  -4.502   4.926
  393   3HG2  THR  58          3HG2      THR  58   7.971  -4.323   3.965
  394    H    GLY  59           H        GLY  59   5.798  -2.444   0.136
  395   1HA   GLY  59          HA2       GLY  59   5.181  -2.667  -2.147
  396   2HA   GLY  59          HA1       GLY  59   5.636  -4.368  -2.074
  397    H    GLN  60           H        GLN  60   3.914  -4.681   0.426
  398    HA   GLN  60           HA       GLN  60   1.257  -4.586  -0.946
  399   1HB   GLN  60          HB2       GLN  60   1.897  -6.735   1.044
  400   2HB   GLN  60          HB1       GLN  60   0.770  -6.769  -0.312
  401   1HG   GLN  60          HG2       GLN  60   3.086  -6.410  -1.660
  402   2HG   GLN  60          HG1       GLN  60   3.692  -7.301  -0.265
  403   1HE2  GLN  60          1HE2      GLN  60   2.570  -7.823  -3.333
  404   2HE2  GLN  60          2HE2      GLN  60   1.901  -9.369  -3.139
  405    H    SER  61           H        SER  61   2.949  -3.262   1.515
  406    HA   SER  61           HA       SER  61   0.632  -3.323   3.405
  407   1HB   SER  61          HB2       SER  61   3.487  -2.436   3.902
  408   2HB   SER  61          HB1       SER  61   2.211  -2.545   5.111
  409    HG   SER  61           HG       SER  61   2.396  -4.661   5.123
  410    H    ALA  62           H        ALA  62  -0.658  -1.543   3.371
  411    HA   ALA  62           HA       ALA  62   0.064   0.833   1.879
  412   1HB   ALA  62          HB1       ALA  62  -2.038   1.644   3.413
  413   2HB   ALA  62          HB2       ALA  62  -2.267  -0.104   3.444
  414   3HB   ALA  62          HB3       ALA  62  -2.217   0.752   1.902
  415    H    ASP  63           H        ASP  63  -0.418   0.225   5.375
  416    HA   ASP  63           HA       ASP  63   0.713   2.833   6.052
  417   1HB   ASP  63          HB2       ASP  63   0.179   0.475   7.885
  418   2HB   ASP  63          HB1       ASP  63   0.382   2.162   8.359
  419    H    CYS  64           H        CYS  64   2.538   2.528   7.985
  420    HA   CYS  64           HA       CYS  64   4.613   0.812   6.718
  421   1HB   CYS  64          HB2       CYS  64   5.324   3.051   6.461
  422   2HB   CYS  64          HB1       CYS  64   4.871   3.479   8.105
  423    HA   PRO  65           HA       PRO  65   4.256  -1.232  10.652
  424   1HB   PRO  65          HB2       PRO  65   5.513  -3.490   9.746
  425   2HB   PRO  65          HB1       PRO  65   3.793  -3.176   9.504
  426   1HG   PRO  65          HG2       PRO  65   6.033  -3.081   7.553
  427   2HG   PRO  65          HG1       PRO  65   4.299  -3.304   7.259
  428   1HD   PRO  65          HD2       PRO  65   5.777  -0.909   6.891
  429   2HD   PRO  65          HD1       PRO  65   4.008  -1.079   6.843
  430    H    ARG  66           H        ARG  66   6.300  -2.981  11.437
  431    HA   ARG  66           HA       ARG  66   8.617  -1.107  11.653
  432   1HB   ARG  66          HB2       ARG  66   9.182  -2.376  13.713
  433   2HB   ARG  66          HB1       ARG  66   7.563  -1.677  13.800
  434   1HG   ARG  66          HG2       ARG  66   7.362  -4.253  12.567
  435   2HG   ARG  66          HG1       ARG  66   8.303  -4.420  14.050
  436   1HD   ARG  66          HD2       ARG  66   6.104  -2.650  14.559
  437   2HD   ARG  66          HD1       ARG  66   5.483  -4.117  13.802
  438    HE   ARG  66           HE       ARG  66   7.181  -5.107  15.721
  439   1HH1  ARG  66          1HH1      ARG  66   4.030  -4.739  15.710
  440   2HH1  ARG  66          2HH1      ARG  66   3.820  -4.173  17.334
  441   1HH2  ARG  66          1HH2      ARG  66   7.190  -3.528  17.829
  442   2HH2  ARG  66          2HH2      ARG  66   5.608  -3.489  18.533
  443    H    TYR  67           H        TYR  67  10.599  -2.825  12.438
  444    HA   TYR  67           HA       TYR  67  11.288  -4.126   9.934
  445   1HB   TYR  67          HB2       TYR  67  12.720  -4.482  12.574
  446   2HB   TYR  67          HB1       TYR  67  13.395  -4.585  10.948
  447    HD1  TYR  67           HD1      TYR  67  13.696  -2.544   9.576
  448    HD2  TYR  67           HD2      TYR  67  12.348  -2.349  13.650
  449    HE1  TYR  67           HE1      TYR  67  14.213  -0.120   9.629
  450    HE2  TYR  67           HE2      TYR  67  12.865   0.076  13.703
  451    HH   TYR  67           HH       TYR  67  13.830   1.813  10.798
  452    H    HIS  68           H        HIS  68   9.027  -5.376  10.476
  453    HA   HIS  68           HA       HIS  68   9.662  -7.876  11.957
  454   1HB   HIS  68          HB2       HIS  68   7.545  -6.731  12.523
  455   2HB   HIS  68          HB1       HIS  68   7.028  -6.868  10.841
  456    HD1  HIS  68           HD1      HIS  68   5.037  -8.283  12.193
  457    HD2  HIS  68           HD2      HIS  68   8.767 -10.101  11.790
  458    HE1  HIS  68           HE1      HIS  68   4.672 -10.760  12.576
  Start of MODEL   17
    1   1H    GLY   1          HT1       GLY   1 -10.747 -11.745  10.006
    2   2H    GLY   1          HT2       GLY   1  -9.090 -11.554  10.327
    3   3H    GLY   1          HT3       GLY   1  -9.601 -12.547   9.046
    4   1HA   GLY   1          HA1       GLY   1  -8.734 -10.314   8.371
    5   2HA   GLY   1          HA2       GLY   1 -10.341 -10.722   7.773
    6    H    LYS   2           H        LYS   2  -9.169  -8.047   8.322
    7    HA   LYS   2           HA       LYS   2 -10.630  -7.091  10.692
    8   1HB   LYS   2          HB2       LYS   2  -8.386  -6.209   9.222
    9   2HB   LYS   2          HB1       LYS   2  -9.628  -4.978   8.993
   10   1HG   LYS   2          HG2       LYS   2  -9.698  -5.775  11.730
   11   2HG   LYS   2          HG1       LYS   2  -8.015  -5.451  11.308
   12   1HD   LYS   2          HD2       LYS   2  -8.616  -3.251  10.438
   13   2HD   LYS   2          HD1       LYS   2 -10.325  -3.573  10.737
   14   1HE   LYS   2          HE2       LYS   2  -9.057  -4.101  13.183
   15   2HE   LYS   2          HE1       LYS   2  -8.295  -2.627  12.583
   16   1HZ   LYS   2          HZ1       LYS   2 -10.131  -1.473  12.978
   17   2HZ   LYS   2          HZ2       LYS   2 -10.742  -2.825  13.805
   18   3HZ   LYS   2          HZ3       LYS   2 -11.108  -2.594  12.161
   19    H    GLU   3           H        GLU   3 -11.966  -4.981  10.291
   20    HA   GLU   3           HA       GLU   3 -13.726  -5.452   7.916
   21   1HB   GLU   3          HB2       GLU   3 -14.534  -5.734  10.456
   22   2HB   GLU   3          HB1       GLU   3 -14.744  -3.990  10.310
   23   1HG   GLU   3          HG2       GLU   3 -16.284  -4.204   8.528
   24   2HG   GLU   3          HG1       GLU   3 -15.817  -5.877   8.216
   25    H    CYS   4           H        CYS   4 -11.551  -3.309   9.349
   26    HA   CYS   4           HA       CYS   4 -12.674  -1.084   7.701
   27   1HB   CYS   4          HB2       CYS   4 -12.858  -0.553  10.100
   28   2HB   CYS   4          HB1       CYS   4 -11.133  -0.864  10.305
   29    H    ASP   5           H        ASP   5 -11.282  -0.257   6.202
   30    HA   ASP   5           HA       ASP   5  -8.479  -1.283   6.261
   31   1HB   ASP   5          HB2       ASP   5 -10.299  -1.583   4.274
   32   2HB   ASP   5          HB1       ASP   5  -9.559  -0.059   3.781
   33    H    CYS   6           H        CYS   6 -10.436   1.564   6.396
   34    HA   CYS   6           HA       CYS   6  -7.955   3.218   6.181
   35   1HB   CYS   6          HB2       CYS   6  -9.119   4.907   5.062
   36   2HB   CYS   6          HB1       CYS   6  -9.894   3.470   4.418
   37    H    SER   7           H        SER   7  -9.300   5.598   7.246
   38    HA   SER   7           HA       SER   7 -10.168   4.722   9.940
   39   1HB   SER   7          HB2       SER   7  -7.605   5.092   9.803
   40   2HB   SER   7          HB1       SER   7  -8.004   6.802   9.671
   41    HG   SER   7           HG       SER   7  -9.110   5.171  11.691
   42    H    SER   8           H        SER   8  -9.700   7.360   7.616
   43    HA   SER   8           HA       SER   8 -11.509   9.093   9.187
   44   1HB   SER   8          HB2       SER   8 -10.665   9.983   6.502
   45   2HB   SER   8          HB1       SER   8 -10.598  10.835   8.043
   46    HG   SER   8           HG       SER   8  -8.663  10.022   8.421
   47    HA   PRO   9           HA       PRO   9 -15.013   7.907   6.780
   48   1HB   PRO   9          HB2       PRO   9 -16.663   9.962   7.558
   49   2HB   PRO   9          HB1       PRO   9 -16.282   8.572   8.589
   50   1HG   PRO   9          HG2       PRO   9 -15.289  11.376   8.781
   51   2HG   PRO   9          HG1       PRO   9 -15.445  10.152  10.051
   52   1HD   PRO   9          HD2       PRO   9 -13.043  10.896   8.735
   53   2HD   PRO   9          HD1       PRO   9 -13.270   9.484   9.790
   54    H    GLU  10           H        GLU  10 -14.101  11.368   6.754
   55    HA   GLU  10           HA       GLU  10 -15.456  12.177   4.426
   56   1HB   GLU  10          HB2       GLU  10 -13.976  13.559   6.060
   57   2HB   GLU  10          HB1       GLU  10 -12.640  13.092   5.009
   58   1HG   GLU  10          HG2       GLU  10 -13.264  15.010   3.908
   59   2HG   GLU  10          HG1       GLU  10 -14.389  13.898   3.129
   60    H    ASN  11           H        ASN  11 -12.604  10.205   4.803
   61    HA   ASN  11           HA       ASN  11 -11.575  10.366   2.150
   62   1HB   ASN  11          HB2       ASN  11 -10.381   9.336   4.075
   63   2HB   ASN  11          HB1       ASN  11 -11.531   8.001   4.045
   64   1HD2  ASN  11          1HD2      ASN  11  -8.554   7.986   3.464
   65   2HD2  ASN  11          2HD2      ASN  11  -8.416   7.319   1.910
   66    HA   PRO  12           HA       PRO  12 -15.127   8.267   0.348
   67   1HB   PRO  12          HB2       PRO  12 -14.484   8.939  -2.239
   68   2HB   PRO  12          HB1       PRO  12 -15.328  10.026  -1.124
   69   1HG   PRO  12          HG2       PRO  12 -12.493  10.112  -2.040
   70   2HG   PRO  12          HG1       PRO  12 -13.531  11.434  -1.476
   71   1HD   PRO  12          HD2       PRO  12 -11.516  10.143   0.039
   72   2HD   PRO  12          HD1       PRO  12 -12.771  11.226   0.677
   73    H    CYS  13           H        CYS  13 -11.761   7.675  -0.033
   74    HA   CYS  13           HA       CYS  13 -11.925   5.580  -2.020
   75   1HB   CYS  13          HB2       CYS  13  -9.872   6.805  -0.366
   76   2HB   CYS  13          HB1       CYS  13  -9.684   5.052  -0.425
   77    H    CYS  14           H        CYS  14 -12.553   5.721   1.396
   78    HA   CYS  14           HA       CYS  14 -12.850   2.743   1.388
   79   1HB   CYS  14          HB2       CYS  14 -12.232   2.690   3.711
   80   2HB   CYS  14          HB1       CYS  14 -11.007   3.643   2.875
   81    H    ASP  15           H        ASP  15 -14.869   2.025   1.787
   82    HA   ASP  15           HA       ASP  15 -17.065   3.859   2.129
   83   1HB   ASP  15          HB2       ASP  15 -16.950   1.398   1.141
   84   2HB   ASP  15          HB1       ASP  15 -17.332   0.954   2.803
   85    H    ALA  16           H        ALA  16 -17.646   4.817   4.004
   86    HA   ALA  16           HA       ALA  16 -16.496   4.109   6.544
   87   1HB   ALA  16          HB1       ALA  16 -18.282   6.148   5.491
   88   2HB   ALA  16          HB2       ALA  16 -17.201   6.226   6.881
   89   3HB   ALA  16          HB3       ALA  16 -18.829   5.574   7.065
   90    H    ALA  17           H        ALA  17 -19.438   3.158   4.876
   91    HA   ALA  17           HA       ALA  17 -21.016   2.213   6.990
   92   1HB   ALA  17          HB1       ALA  17 -20.880   0.289   4.788
   93   2HB   ALA  17          HB2       ALA  17 -21.052   1.950   4.220
   94   3HB   ALA  17          HB3       ALA  17 -22.240   1.271   5.333
   95    H    THR  18           H        THR  18 -18.457   0.410   5.253
   96    HA   THR  18           HA       THR  18 -18.364  -1.472   7.568
   97    HB   THR  18           HB       THR  18 -18.660  -2.756   5.610
   98    HG1  THR  18           HG1      THR  18 -16.994  -3.920   6.057
   99   1HG2  THR  18          1HG2      THR  18 -16.687  -0.863   4.312
  100   2HG2  THR  18          2HG2      THR  18 -18.410  -1.002   3.963
  101   3HG2  THR  18          3HG2      THR  18 -17.315  -2.315   3.536
  102    H    CYS  19           H        CYS  19 -16.745   1.132   6.101
  103    HA   CYS  19           HA       CYS  19 -14.789   2.233   6.835
  104   1HB   CYS  19          HB2       CYS  19 -15.382   0.893   9.035
  105   2HB   CYS  19          HB1       CYS  19 -14.022  -0.112   8.541
  106    H    LYS  20           H        LYS  20 -15.046  -0.065   4.756
  107    HA   LYS  20           HA       LYS  20 -12.112  -0.644   4.586
  108   1HB   LYS  20          HB2       LYS  20 -14.453  -2.209   3.462
  109   2HB   LYS  20          HB1       LYS  20 -12.755  -2.588   3.164
  110   1HG   LYS  20          HG2       LYS  20 -12.916  -2.325   5.942
  111   2HG   LYS  20          HG1       LYS  20 -14.390  -3.187   5.503
  112   1HD   LYS  20          HD2       LYS  20 -11.696  -3.996   4.405
  113   2HD   LYS  20          HD1       LYS  20 -12.300  -4.619   5.941
  114   1HE   LYS  20          HE2       LYS  20 -14.461  -5.167   4.562
  115   2HE   LYS  20          HE1       LYS  20 -13.383  -5.048   3.171
  116   1HZ   LYS  20          HZ1       LYS  20 -12.203  -6.565   5.264
  117   2HZ   LYS  20          HZ2       LYS  20 -12.497  -7.005   3.650
  118   3HZ   LYS  20          HZ3       LYS  20 -13.704  -7.220   4.825
  119    H    LEU  21           H        LEU  21 -11.876  -1.364   1.968
  120    HA   LEU  21           HA       LEU  21 -12.128   1.222   0.618
  121   1HB   LEU  21          HB2       LEU  21 -10.855  -1.421  -0.029
  122   2HB   LEU  21          HB1       LEU  21 -11.114  -0.242  -1.315
  123    HG   LEU  21           HG       LEU  21 -10.047   1.175   0.905
  124   1HD1  LEU  21          1HD1      LEU  21  -8.913  -0.503   1.962
  125   2HD1  LEU  21          2HD1      LEU  21  -7.760  -0.266   0.650
  126   3HD1  LEU  21          3HD1      LEU  21  -8.954  -1.558   0.551
  127   1HD2  LEU  21          1HD2      LEU  21  -8.106   0.582  -1.163
  128   2HD2  LEU  21          2HD2      LEU  21  -8.934   2.101  -0.823
  129   3HD2  LEU  21          3HD2      LEU  21  -9.685   0.906  -1.879
  130    H    ARG  22           H        ARG  22 -13.814   1.781  -0.680
  131    HA   ARG  22           HA       ARG  22 -15.864  -0.237  -1.283
  132   1HB   ARG  22          HB2       ARG  22 -16.373   2.140  -0.517
  133   2HB   ARG  22          HB1       ARG  22 -15.891   2.663  -2.130
  134   1HG   ARG  22          HG2       ARG  22 -18.342   2.307  -1.975
  135   2HG   ARG  22          HG1       ARG  22 -17.590   1.218  -3.142
  136   1HD   ARG  22          HD2       ARG  22 -17.703  -0.631  -1.652
  137   2HD   ARG  22          HD1       ARG  22 -18.043   0.406  -0.268
  138    HE   ARG  22           HE       ARG  22 -20.312   0.682  -1.090
  139   1HH1  ARG  22          1HH2      ARG  22 -19.147   0.131  -3.997
  140   2HH1  ARG  22          2HH2      ARG  22 -20.074  -1.277  -4.392
  141   1HH2  ARG  22          1HH1      ARG  22 -21.158  -1.800  -1.139
  142   2HH2  ARG  22          2HH1      ARG  22 -21.213  -2.370  -2.775
  143    HA   PRO  23           HA       PRO  23 -14.508   0.901  -5.714
  144   1HB   PRO  23          HB2       PRO  23 -12.171   2.313  -6.013
  145   2HB   PRO  23          HB1       PRO  23 -13.761   3.077  -5.859
  146   1HG   PRO  23          HG2       PRO  23 -11.563   2.913  -3.862
  147   2HG   PRO  23          HG1       PRO  23 -12.874   4.097  -3.992
  148   1HD   PRO  23          HD2       PRO  23 -12.750   1.903  -2.185
  149   2HD   PRO  23          HD1       PRO  23 -14.152   2.949  -2.484
  150    H    GLY  24           H        GLY  24 -11.989   0.662  -6.956
  151   1HA   GLY  24          HA2       GLY  24 -11.173  -2.005  -5.972
  152   2HA   GLY  24          HA1       GLY  24 -10.734  -1.304  -7.529
  153    H    ALA  25           H        ALA  25 -10.390   0.813  -4.855
  154    HA   ALA  25           HA       ALA  25  -7.546   1.049  -5.248
  155   1HB   ALA  25          HB1       ALA  25  -9.601   2.262  -3.512
  156   2HB   ALA  25          HB2       ALA  25  -8.234   3.017  -4.330
  157   3HB   ALA  25          HB3       ALA  25  -7.993   2.188  -2.793
  158    H    GLN  26           H        GLN  26  -5.851   0.206  -4.007
  159    HA   GLN  26           HA       GLN  26  -6.515  -2.180  -2.416
  160   1HB   GLN  26          HB2       GLN  26  -4.279  -1.286  -3.961
  161   2HB   GLN  26          HB1       GLN  26  -3.727  -1.576  -2.311
  162   1HG   GLN  26          HG2       GLN  26  -3.546  -3.718  -3.162
  163   2HG   GLN  26          HG1       GLN  26  -5.208  -3.767  -2.575
  164   1HE2  GLN  26          1HE2      GLN  26  -6.539  -2.289  -4.574
  165   2HE2  GLN  26          2HE2      GLN  26  -6.405  -3.102  -6.059
  166    H    CYS  27           H        CYS  27  -6.140   1.107  -1.806
  167    HA   CYS  27           HA       CYS  27  -6.155   0.673   1.069
  168   1HB   CYS  27          HB2       CYS  27  -4.051   2.212   1.302
  169   2HB   CYS  27          HB1       CYS  27  -3.827   0.487   1.015
  170    H    GLY  28           H        GLY  28  -7.049   2.435   2.102
  171   1HA   GLY  28          HA2       GLY  28  -7.834   4.709   0.362
  172   2HA   GLY  28          HA1       GLY  28  -8.561   4.311   1.919
  173    H    GLU  29           H        GLU  29  -5.672   3.875   2.907
  174    HA   GLU  29           HA       GLU  29  -4.432   6.485   2.793
  175   1HB   GLU  29          HB2       GLU  29  -4.879   7.212   5.054
  176   2HB   GLU  29          HB1       GLU  29  -6.419   6.925   4.253
  177   1HG   GLU  29          HG2       GLU  29  -6.946   5.178   5.608
  178   2HG   GLU  29          HG1       GLU  29  -5.294   4.560   5.614
  179    H    GLY  30           H        GLY  30  -2.444   6.540   4.044
  180   1HA   GLY  30          HA2       GLY  30  -1.367   4.789   5.845
  181   2HA   GLY  30          HA1       GLY  30  -1.236   3.881   4.337
  182    H    LEU  31           H        LEU  31   1.123   4.542   5.540
  183    HA   LEU  31           HA       LEU  31   2.046   7.078   4.401
  184   1HB   LEU  31          HB2       LEU  31   4.296   6.349   5.329
  185   2HB   LEU  31          HB1       LEU  31   3.034   6.658   6.504
  186    HG   LEU  31           HG       LEU  31   4.526   4.528   6.724
  187   1HD1  LEU  31          1HD1      LEU  31   1.787   3.600   7.001
  188   2HD1  LEU  31          2HD1      LEU  31   1.990   5.243   7.599
  189   3HD1  LEU  31          3HD1      LEU  31   2.989   3.940   8.243
  190   1HD2  LEU  31          1HD2      LEU  31   4.094   3.795   4.360
  191   2HD2  LEU  31          2HD2      LEU  31   2.418   3.491   4.804
  192   3HD2  LEU  31          3HD2      LEU  31   3.711   2.569   5.559
  193    H    CYS  32           H        CYS  32   1.531   4.084   3.143
  194    HA   CYS  32           HA       CYS  32   3.558   4.589   1.021
  195   1HB   CYS  32          HB2       CYS  32   3.130   2.069   2.597
  196   2HB   CYS  32          HB1       CYS  32   3.690   1.973   0.926
  197    H    CYS  33           H        CYS  33   0.834   5.286   0.906
  198    HA   CYS  33           HA       CYS  33  -0.129   3.335  -1.140
  199   1HB   CYS  33          HB2       CYS  33  -1.518   3.110   0.868
  200   2HB   CYS  33          HB1       CYS  33  -1.802   4.850   0.891
  201    H    GLU  34           H        GLU  34   0.319   4.456  -3.000
  202    HA   GLU  34           HA       GLU  34  -0.313   7.357  -3.104
  203   1HB   GLU  34          HB2       GLU  34   1.911   6.172  -3.962
  204   2HB   GLU  34          HB1       GLU  34   0.926   5.878  -5.395
  205   1HG   GLU  34          HG2       GLU  34   1.871   7.959  -5.884
  206   2HG   GLU  34          HG1       GLU  34   0.324   8.420  -5.175
  207    H    GLN  35           H        GLN  35  -2.172   7.985  -4.080
  208    HA   GLN  35           HA       GLN  35  -4.075   7.909  -5.443
  209   1HB   GLN  35          HB2       GLN  35  -2.050   6.535  -6.913
  210   2HB   GLN  35          HB1       GLN  35  -3.551   5.624  -7.079
  211   1HG   GLN  35          HG2       GLN  35  -3.700   7.196  -8.820
  212   2HG   GLN  35          HG1       GLN  35  -4.641   7.946  -7.528
  213   1HE2  GLN  35          1HE2      GLN  35  -4.105  10.082  -8.530
  214   2HE2  GLN  35          2HE2      GLN  35  -2.580  10.776  -8.259
  215    H    CYS  36           H        CYS  36  -3.910   6.443  -2.962
  216    HA   CYS  36           HA       CYS  36  -5.165   4.861  -1.771
  217   1HB   CYS  36          HB2       CYS  36  -6.764   5.147  -4.313
  218   2HB   CYS  36          HB1       CYS  36  -7.246   4.008  -3.055
  219    H    LYS  37           H        LYS  37  -3.008   4.138  -3.878
  220    HA   LYS  37           HA       LYS  37  -3.695   1.229  -4.013
  221   1HB   LYS  37          HB2       LYS  37  -2.457   3.073  -6.008
  222   2HB   LYS  37          HB1       LYS  37  -1.850   1.417  -5.942
  223   1HG   LYS  37          HG2       LYS  37  -4.517   0.940  -5.857
  224   2HG   LYS  37          HG1       LYS  37  -4.503   2.426  -6.807
  225   1HD   LYS  37          HD2       LYS  37  -2.386   0.739  -7.743
  226   2HD   LYS  37          HD1       LYS  37  -3.871  -0.211  -7.682
  227   1HE   LYS  37          HE2       LYS  37  -4.519   2.375  -8.712
  228   2HE   LYS  37          HE1       LYS  37  -3.126   1.765  -9.604
  229   1HZ   LYS  37          HZ1       LYS  37  -4.311  -0.265 -10.056
  230   2HZ   LYS  37          HZ2       LYS  37  -5.241   1.058 -10.577
  231   3HZ   LYS  37          HZ3       LYS  37  -5.636   0.253  -9.133
  232    H    PHE  38           H        PHE  38  -2.125  -0.194  -3.270
  233    HA   PHE  38           HA       PHE  38  -0.261   0.624  -1.342
  234   1HB   PHE  38          HB2       PHE  38  -0.253  -1.816  -3.138
  235   2HB   PHE  38          HB1       PHE  38   0.849  -1.607  -1.777
  236    HD1  PHE  38           HD2      PHE  38  -0.835  -0.306   0.238
  237    HD2  PHE  38           HD1      PHE  38  -1.782  -3.482  -2.495
  238    HE1  PHE  38           HE2      PHE  38  -2.598  -1.114   1.786
  239    HE2  PHE  38           HE1      PHE  38  -3.544  -4.290  -0.947
  240    HZ   PHE  38           HZ       PHE  38  -3.951  -3.106   1.194
  241    H    SER  39           H        SER  39   1.601   1.768  -1.533
  242    HA   SER  39           HA       SER  39   2.688   2.590  -4.039
  243   1HB   SER  39          HB2       SER  39   4.104   2.463  -1.360
  244   2HB   SER  39          HB1       SER  39   4.567   3.457  -2.738
  245    HG   SER  39           HG       SER  39   2.788   4.692  -2.455
  246    H    ARG  40           H        ARG  40   5.561   1.965  -3.220
  247    HA   ARG  40           HA       ARG  40   5.575  -0.864  -4.195
  248   1HB   ARG  40          HB2       ARG  40   7.474   1.423  -4.776
  249   2HB   ARG  40          HB1       ARG  40   7.825  -0.255  -5.187
  250   1HG   ARG  40          HG2       ARG  40   5.238   1.015  -6.058
  251   2HG   ARG  40          HG1       ARG  40   6.712   1.253  -6.998
  252   1HD   ARG  40          HD2       ARG  40   6.612  -0.836  -7.844
  253   2HD   ARG  40          HD1       ARG  40   6.350  -1.540  -6.248
  254    HE   ARG  40           HE       ARG  40   4.114  -0.342  -7.837
  255   1HH1  ARG  40          1HH1      ARG  40   5.474  -3.288  -7.111
  256   2HH1  ARG  40          2HH1      ARG  40   4.051  -3.989  -6.414
  257   1HH2  ARG  40          1HH2      ARG  40   2.280  -1.010  -6.381
  258   2HH2  ARG  40          2HH2      ARG  40   2.245  -2.698  -5.996
  259    H    ALA  41           H        ALA  41   7.294  -2.219  -3.366
  260    HA   ALA  41           HA       ALA  41   7.809  -1.869  -0.569
  261   1HB   ALA  41          HB1       ALA  41   8.619  -3.994  -0.689
  262   2HB   ALA  41          HB2       ALA  41   9.704  -3.599  -2.020
  263   3HB   ALA  41          HB3       ALA  41   8.011  -3.966  -2.345
  264    H    GLY  42           H        GLY  42  10.109  -1.827   0.337
  265   1HA   GLY  42          HA2       GLY  42  12.197  -0.747   0.516
  266   2HA   GLY  42          HA1       GLY  42  12.195  -0.589  -1.244
  267    H    LYS  43           H        LYS  43   9.453   0.519   0.575
  268    HA   LYS  43           HA       LYS  43  10.082   3.299  -0.278
  269   1HB   LYS  43          HB2       LYS  43   7.869   2.624  -0.862
  270   2HB   LYS  43          HB1       LYS  43   7.575   1.954   0.741
  271   1HG   LYS  43          HG2       LYS  43   6.522   4.234   0.272
  272   2HG   LYS  43          HG1       LYS  43   7.488   4.111   1.743
  273   1HD   LYS  43          HD2       LYS  43   9.108   5.512   0.947
  274   2HD   LYS  43          HD1       LYS  43   8.987   4.877  -0.696
  275   1HE   LYS  43          HE2       LYS  43   6.584   6.086  -0.524
  276   2HE   LYS  43          HE1       LYS  43   7.493   7.107   0.589
  277   1HZ   LYS  43          HZ1       LYS  43   8.835   7.866  -1.052
  278   2HZ   LYS  43          HZ2       LYS  43   7.461   7.539  -1.999
  279   3HZ   LYS  43          HZ3       LYS  43   8.752   6.435  -1.958
  280    H    ILE  44           H        ILE  44  11.418   4.261   1.200
  281    HA   ILE  44           HA       ILE  44  11.650   3.721   3.941
  282    HB   ILE  44           HB       ILE  44  13.227   5.164   2.729
  283   1HG1  ILE  44          2HG1      ILE  44  13.541   6.834   4.465
  284   2HG1  ILE  44          1HG1      ILE  44  11.849   6.709   4.947
  285   1HG2  ILE  44          1HG2      ILE  44  12.528   6.908   1.485
  286   2HG2  ILE  44          2HG2      ILE  44  11.698   7.624   2.868
  287   3HG2  ILE  44          3HG2      ILE  44  10.870   6.436   1.860
  288   1HD1  ILE  44          1HD1      ILE  44  13.550   5.416   6.375
  289   2HD1  ILE  44          2HD1      ILE  44  13.699   4.322   5.001
  290   3HD1  ILE  44          3HD1      ILE  44  12.145   4.514   5.810
  291    H    CYS  45           H        CYS  45   9.647   3.442   4.965
  292    HA   CYS  45           HA       CYS  45   7.685   5.658   4.911
  293   1HB   CYS  45          HB2       CYS  45   6.350   4.126   6.357
  294   2HB   CYS  45          HB1       CYS  45   6.787   3.417   4.804
  295    H    ARG  46           H        ARG  46  10.059   4.202   7.062
  296    HA   ARG  46           HA       ARG  46   9.655   6.507   8.902
  297   1HB   ARG  46          HB2       ARG  46   9.562   3.579   9.618
  298   2HB   ARG  46          HB1       ARG  46  10.063   4.784  10.804
  299   1HG   ARG  46          HG2       ARG  46   7.946   6.012  10.442
  300   2HG   ARG  46          HG1       ARG  46   7.439   4.780   9.284
  301   1HD   ARG  46          HD2       ARG  46   7.526   3.064  11.032
  302   2HD   ARG  46          HD1       ARG  46   8.101   4.256  12.198
  303    HE   ARG  46           HE       ARG  46   5.375   4.310  10.967
  304   1HH1  ARG  46          1HH2      ARG  46   6.710   3.672  13.869
  305   2HH1  ARG  46          2HH2      ARG  46   5.962   4.963  14.750
  306   1HH2  ARG  46          1HH1      ARG  46   4.801   6.582  11.914
  307   2HH2  ARG  46          2HH1      ARG  46   4.883   6.610  13.644
  308    H    ILE  47           H        ILE  47  11.514   6.950  10.212
  309    HA   ILE  47           HA       ILE  47  14.040   6.197   8.870
  310    HB   ILE  47           HB       ILE  47  13.312   8.583   9.523
  311   1HG1  ILE  47          2HG1      ILE  47  15.982   7.688  10.616
  312   2HG1  ILE  47          1HG1      ILE  47  15.644   7.823   8.890
  313   1HG2  ILE  47          1HG2      ILE  47  12.868   7.499  11.969
  314   2HG2  ILE  47          2HG2      ILE  47  13.215   9.209  11.720
  315   3HG2  ILE  47          3HG2      ILE  47  14.508   8.107  12.195
  316   1HD1  ILE  47          1HD1      ILE  47  16.495   9.926   9.312
  317   2HD1  ILE  47          2HD1      ILE  47  15.854   9.970  10.955
  318   3HD1  ILE  47          3HD1      ILE  47  14.777  10.217   9.578
  319    HA   PRO  48           HA       PRO  48  15.046   3.346  12.061
  320   1HB   PRO  48          HB2       PRO  48  17.778   3.306  11.704
  321   2HB   PRO  48          HB1       PRO  48  16.632   2.442  10.667
  322   1HG   PRO  48          HG2       PRO  48  18.153   4.945  10.119
  323   2HG   PRO  48          HG1       PRO  48  17.530   3.738   8.981
  324   1HD   PRO  48          HD2       PRO  48  16.369   6.235   9.508
  325   2HD   PRO  48          HD1       PRO  48  15.566   4.890   8.688
  326    H    ARG  49           H        ARG  49  16.088   3.261  14.132
  327    HA   ARG  49           HA       ARG  49  17.541   5.618  15.132
  328   1HB   ARG  49          HB2       ARG  49  14.676   5.182  15.625
  329   2HB   ARG  49          HB1       ARG  49  15.613   5.309  17.113
  330   1HG   ARG  49          HG2       ARG  49  16.562   7.435  16.381
  331   2HG   ARG  49          HG1       ARG  49  15.737   7.298  14.828
  332   1HD   ARG  49          HD2       ARG  49  13.555   7.197  16.132
  333   2HD   ARG  49          HD1       ARG  49  14.484   7.661  17.558
  334    HE   ARG  49           HE       ARG  49  15.090   9.759  16.298
  335   1HH1  ARG  49          1HH2      ARG  49  12.043   8.329  16.240
  336   2HH1  ARG  49          2HH2      ARG  49  11.382   9.382  15.033
  337   1HH2  ARG  49          1HH1      ARG  49  14.415  10.908  14.328
  338   2HH2  ARG  49          2HH1      ARG  49  12.727  10.841  13.950
  339    H    GLY  50           H        GLY  50  19.165   4.008  15.468
  340   1HA   GLY  50          HA2       GLY  50  20.236   2.731  17.255
  341   2HA   GLY  50          HA1       GLY  50  18.629   2.222  17.795
  342    H    ASP  51           H        ASP  51  17.776   1.876  14.971
  343    HA   ASP  51           HA       ASP  51  19.027  -0.784  14.479
  344   1HB   ASP  51          HB2       ASP  51  16.347   0.433  13.825
  345   2HB   ASP  51          HB1       ASP  51  16.956  -0.918  12.868
  346    H    MET  52           H        MET  52  20.517  -0.779  12.895
  347    HA   MET  52           HA       MET  52  21.274   1.395  11.337
  348   1HB   MET  52          HB2       MET  52  21.534  -1.480  10.434
  349   2HB   MET  52          HB1       MET  52  22.566  -0.122   9.995
  350   1HG   MET  52          HG2       MET  52  22.271  -1.388  12.731
  351   2HG   MET  52          HG1       MET  52  23.713  -1.355  11.716
  352   1HE   MET  52          HE1       MET  52  22.006   1.318  14.681
  353   2HE   MET  52          HE2       MET  52  23.422   0.360  15.108
  354   3HE   MET  52          HE3       MET  52  22.024  -0.424  14.377
  355    HA   PRO  53           HA       PRO  53  18.558  -0.117   7.714
  356   1HB   PRO  53          HB2       PRO  53  16.544  -1.895   8.289
  357   2HB   PRO  53          HB1       PRO  53  18.169  -2.373   7.772
  358   1HG   PRO  53          HG2       PRO  53  16.948  -2.515  10.486
  359   2HG   PRO  53          HG1       PRO  53  18.247  -3.495   9.788
  360   1HD   PRO  53          HD2       PRO  53  18.577  -1.355  11.603
  361   2HD   PRO  53          HD1       PRO  53  19.861  -2.125  10.655
  362    H    ASP  54           H        ASP  54  17.208   1.522   7.203
  363    HA   ASP  54           HA       ASP  54  15.584   2.979   9.057
  364   1HB   ASP  54          HB2       ASP  54  15.174   2.808   6.059
  365   2HB   ASP  54          HB1       ASP  54  14.768   4.154   7.124
  366    H    ASP  55           H        ASP  55  13.209   2.965   7.098
  367    HA   ASP  55           HA       ASP  55  12.021   0.322   7.779
  368   1HB   ASP  55          HB2       ASP  55  11.106   3.025   8.678
  369   2HB   ASP  55          HB1       ASP  55   9.873   1.842   8.238
  370    H    ARG  56           H        ARG  56  11.899  -0.329   5.628
  371    HA   ARG  56           HA       ARG  56  10.579   1.523   3.698
  372   1HB   ARG  56          HB2       ARG  56  11.952  -1.076   3.024
  373   2HB   ARG  56          HB1       ARG  56  11.607   0.286   1.960
  374   1HG   ARG  56          HG2       ARG  56  13.238   1.009   4.298
  375   2HG   ARG  56          HG1       ARG  56  14.017  -0.154   3.226
  376   1HD   ARG  56          HD2       ARG  56  13.765   1.308   1.330
  377   2HD   ARG  56          HD1       ARG  56  12.733   2.406   2.244
  378    HE   ARG  56           HE       ARG  56  15.377   2.075   3.431
  379   1HH1  ARG  56          1HH2      ARG  56  13.783   3.479   0.739
  380   2HH1  ARG  56          2HH2      ARG  56  14.631   4.987   0.842
  381   1HH2  ARG  56          1HH1      ARG  56  16.345   4.129   3.732
  382   2HH2  ARG  56          2HH1      ARG  56  16.082   5.354   2.536
  383    H    CYS  57           H        CYS  57   8.670   0.958   2.704
  384    HA   CYS  57           HA       CYS  57   7.045  -1.086   3.972
  385   1HB   CYS  57          HB2       CYS  57   6.582   0.571   1.475
  386   2HB   CYS  57          HB1       CYS  57   5.370  -0.452   2.233
  387    H    THR  58           H        THR  58   5.982  -2.825   2.677
  388    HA   THR  58           HA       THR  58   7.993  -4.236   1.060
  389    HB   THR  58           HB       THR  58   6.958  -5.744   2.515
  390    HG1  THR  58           HG1      THR  58   5.065  -6.484   0.855
  391   1HG2  THR  58          1HG2      THR  58   4.302  -5.724   2.516
  392   2HG2  THR  58          2HG2      THR  58   4.549  -4.050   2.022
  393   3HG2  THR  58          3HG2      THR  58   5.218  -4.624   3.547
  394    H    GLY  59           H        GLY  59   5.676  -1.980   0.390
  395   1HA   GLY  59          HA2       GLY  59   5.014  -1.246  -1.780
  396   2HA   GLY  59          HA1       GLY  59   5.646  -2.752  -2.449
  397    H    GLN  60           H        GLN  60   4.013  -3.972  -0.024
  398    HA   GLN  60           HA       GLN  60   1.459  -4.115  -1.557
  399   1HB   GLN  60          HB2       GLN  60   1.213  -6.350  -0.840
  400   2HB   GLN  60          HB1       GLN  60   2.941  -6.221  -1.161
  401   1HG   GLN  60          HG2       GLN  60   3.234  -6.994   0.946
  402   2HG   GLN  60          HG1       GLN  60   2.732  -5.388   1.476
  403   1HE2  GLN  60          1HE2      GLN  60   2.099  -7.365   3.250
  404   2HE2  GLN  60          2HE2      GLN  60   0.447  -7.754   3.180
  405    H    SER  61           H        SER  61   2.940  -3.318   1.484
  406    HA   SER  61           HA       SER  61   0.291  -3.195   2.830
  407   1HB   SER  61          HB2       SER  61   3.136  -3.153   3.735
  408   2HB   SER  61          HB1       SER  61   1.949  -2.314   4.732
  409    HG   SER  61           HG       SER  61   2.346  -4.674   5.094
  410    H    ALA  62           H        ALA  62  -0.840  -1.317   2.748
  411    HA   ALA  62           HA       ALA  62   0.247   1.103   1.631
  412   1HB   ALA  62          HB1       ALA  62  -2.067   0.974   1.405
  413   2HB   ALA  62          HB2       ALA  62  -1.915   2.080   2.770
  414   3HB   ALA  62          HB3       ALA  62  -2.299   0.381   3.049
  415    H    ASP  63           H        ASP  63  -0.468   0.091   4.973
  416    HA   ASP  63           HA       ASP  63   0.567   2.597   6.064
  417   1HB   ASP  63          HB2       ASP  63   0.170   0.043   7.627
  418   2HB   ASP  63          HB1       ASP  63   0.036   1.709   8.193
  419    H    CYS  64           H        CYS  64   2.361   2.131   7.955
  420    HA   CYS  64           HA       CYS  64   4.493   0.585   6.564
  421   1HB   CYS  64          HB2       CYS  64   5.204   2.819   6.526
  422   2HB   CYS  64          HB1       CYS  64   4.660   3.136   8.164
  423    HA   PRO  65           HA       PRO  65   3.988  -1.733  10.366
  424   1HB   PRO  65          HB2       PRO  65   4.598  -4.099   9.135
  425   2HB   PRO  65          HB1       PRO  65   2.969  -3.421   9.168
  426   1HG   PRO  65          HG2       PRO  65   4.888  -3.622   6.918
  427   2HG   PRO  65          HG1       PRO  65   3.130  -3.413   6.872
  428   1HD   PRO  65          HD2       PRO  65   5.108  -1.392   6.480
  429   2HD   PRO  65          HD1       PRO  65   3.354  -1.158   6.607
  430    H    ARG  66           H        ARG  66   5.605  -3.346  11.378
  431    HA   ARG  66           HA       ARG  66   8.388  -2.532  10.648
  432   1HB   ARG  66          HB2       ARG  66   8.614  -3.596  13.162
  433   2HB   ARG  66          HB1       ARG  66   8.396  -1.877  12.834
  434   1HG   ARG  66          HG2       ARG  66   5.993  -2.068  13.117
  435   2HG   ARG  66          HG1       ARG  66   6.109  -3.821  13.268
  436   1HD   ARG  66          HD2       ARG  66   5.896  -2.613  15.472
  437   2HD   ARG  66          HD1       ARG  66   7.331  -3.630  15.345
  438    HE   ARG  66           HE       ARG  66   7.309  -0.662  15.283
  439   1HH1  ARG  66          1HH1      ARG  66   8.820  -3.283  16.599
  440   2HH1  ARG  66          2HH1      ARG  66  10.440  -2.783  16.249
  441   1HH2  ARG  66          1HH2      ARG  66   9.470  -0.166  14.189
  442   2HH2  ARG  66          2HH2      ARG  66  10.809  -1.018  14.884
  443    H    TYR  67           H        TYR  67  10.052  -4.285  11.098
  444    HA   TYR  67           HA       TYR  67   8.879  -6.932  10.359
  445   1HB   TYR  67          HB2       TYR  67  10.912  -7.436   9.220
  446   2HB   TYR  67          HB1       TYR  67  10.526  -5.773   8.778
  447    HD1  TYR  67           HD2      TYR  67  11.682  -3.871   9.974
  448    HD2  TYR  67           HD1      TYR  67  12.885  -7.967  10.442
  449    HE1  TYR  67           HE2      TYR  67  13.862  -3.127  10.896
  450    HE2  TYR  67           HE1      TYR  67  15.064  -7.225  11.364
  451    HH   TYR  67           HH       TYR  67  15.839  -3.755  11.675
  452    H    HIS  68           H        HIS  68   9.865  -5.405  13.045
  453    HA   HIS  68           HA       HIS  68  11.841  -6.869  14.326
  454   1HB   HIS  68          HB2       HIS  68  10.751  -6.352  16.421
  455   2HB   HIS  68          HB1       HIS  68  10.479  -4.993  15.330
  456    HD1  HIS  68           HD1      HIS  68   8.102  -5.297  13.874
  457    HD2  HIS  68           HD2      HIS  68   8.402  -7.253  17.543
  458    HE1  HIS  68           HE1      HIS  68   5.735  -5.846  14.587
  Start of MODEL   18
    1   1H    GLY   1          HT1       GLY   1 -12.654  -7.752  15.861
    2   2H    GLY   1          HT2       GLY   1 -12.053  -8.309  14.373
    3   3H    GLY   1          HT3       GLY   1 -13.633  -8.703  14.855
    4   1HA   GLY   1          HA1       GLY   1 -14.425  -6.899  13.881
    5   2HA   GLY   1          HA2       GLY   1 -13.379  -5.912  14.902
    6    H    LYS   2           H        LYS   2 -13.089  -8.073  12.054
    7    HA   LYS   2           HA       LYS   2 -11.003  -6.214  11.002
    8   1HB   LYS   2          HB2       LYS   2 -11.622  -9.008  10.014
    9   2HB   LYS   2          HB1       LYS   2 -10.178  -8.044   9.693
   10   1HG   LYS   2          HG2       LYS   2  -9.280  -8.436  11.784
   11   2HG   LYS   2          HG1       LYS   2 -10.861  -8.616  12.545
   12   1HD   LYS   2          HD2       LYS   2 -10.497 -10.845  12.457
   13   2HD   LYS   2          HD1       LYS   2 -10.783 -10.710  10.721
   14   1HE   LYS   2          HE2       LYS   2  -8.683 -11.644  10.636
   15   2HE   LYS   2          HE1       LYS   2  -8.205  -9.951  10.771
   16   1HZ   LYS   2          HZ1       LYS   2  -8.711 -11.014  13.335
   17   2HZ   LYS   2          HZ2       LYS   2  -7.267 -10.368  12.714
   18   3HZ   LYS   2          HZ3       LYS   2  -7.614 -12.020  12.520
   19    H    GLU   3           H        GLU   3 -12.682  -4.719  10.239
   20    HA   GLU   3           HA       GLU   3 -13.642  -5.479   7.557
   21   1HB   GLU   3          HB2       GLU   3 -15.962  -4.534   8.196
   22   2HB   GLU   3          HB1       GLU   3 -15.577  -6.169   8.731
   23   1HG   GLU   3          HG2       GLU   3 -15.209  -5.493  10.952
   24   2HG   GLU   3          HG1       GLU   3 -14.962  -3.808  10.495
   25    H    CYS   4           H        CYS   4 -11.889  -3.435   9.139
   26    HA   CYS   4           HA       CYS   4 -12.912  -1.100   7.602
   27   1HB   CYS   4          HB2       CYS   4 -13.385  -0.946  10.119
   28   2HB   CYS   4          HB1       CYS   4 -11.639  -0.800  10.324
   29    H    ASP   5           H        ASP   5 -11.339  -1.389   5.991
   30    HA   ASP   5           HA       ASP   5  -8.538  -1.808   6.614
   31   1HB   ASP   5          HB2       ASP   5  -9.860  -2.312   4.409
   32   2HB   ASP   5          HB1       ASP   5  -9.506  -0.629   4.020
   33    H    CYS   6           H        CYS   6 -10.596   0.949   6.531
   34    HA   CYS   6           HA       CYS   6  -8.217   2.758   6.447
   35   1HB   CYS   6          HB2       CYS   6  -9.795   4.549   5.884
   36   2HB   CYS   6          HB1       CYS   6  -9.979   3.208   4.752
   37    H    SER   7           H        SER   7  -8.575   4.767   7.917
   38    HA   SER   7           HA       SER   7  -9.789   3.852  10.496
   39   1HB   SER   7          HB2       SER   7  -7.571   3.970  11.108
   40   2HB   SER   7          HB1       SER   7  -7.179   5.146   9.857
   41    HG   SER   7           HG       SER   7  -8.179   6.730  11.099
   42    H    SER   8           H        SER   8 -10.459   5.788   8.028
   43    HA   SER   8           HA       SER   8 -11.565   7.922   9.801
   44   1HB   SER   8          HB2       SER   8 -10.617   8.336   6.955
   45   2HB   SER   8          HB1       SER   8 -11.154   9.573   8.087
   46    HG   SER   8           HG       SER   8  -8.790   8.047   8.062
   47    HA   PRO   9           HA       PRO   9 -15.326   6.558   7.880
   48   1HB   PRO   9          HB2       PRO   9 -16.953   8.428   9.065
   49   2HB   PRO   9          HB1       PRO   9 -16.346   6.989   9.902
   50   1HG   PRO   9          HG2       PRO   9 -15.494   9.829  10.199
   51   2HG   PRO   9          HG1       PRO   9 -15.392   8.498  11.364
   52   1HD   PRO   9          HD2       PRO   9 -13.257   9.509   9.788
   53   2HD   PRO   9          HD1       PRO   9 -13.245   8.005  10.734
   54    H    GLU  10           H        GLU  10 -13.840   9.632   7.465
   55    HA   GLU  10           HA       GLU  10 -15.865  10.503   5.472
   56   1HB   GLU  10          HB2       GLU  10 -13.486  11.866   6.749
   57   2HB   GLU  10          HB1       GLU  10 -14.352  12.568   5.382
   58   1HG   GLU  10          HG2       GLU  10 -16.460  12.470   6.676
   59   2HG   GLU  10          HG1       GLU  10 -15.576  11.804   8.049
   60    H    ASN  11           H        ASN  11 -12.805   8.949   5.672
   61    HA   ASN  11           HA       ASN  11 -11.441   9.694   3.378
   62   1HB   ASN  11          HB2       ASN  11 -10.798   7.869   5.019
   63   2HB   ASN  11          HB1       ASN  11 -11.900   6.803   4.150
   64   1HD2  ASN  11          1HD2      ASN  11  -8.713   7.303   4.353
   65   2HD2  ASN  11          2HD2      ASN  11  -8.240   7.069   2.741
   66    HA   PRO  12           HA       PRO  12 -14.472   8.818   0.237
   67   1HB   PRO  12          HB2       PRO  12 -12.911   9.633  -1.874
   68   2HB   PRO  12          HB1       PRO  12 -13.768  10.753  -0.801
   69   1HG   PRO  12          HG2       PRO  12 -10.857  10.125  -0.917
   70   2HG   PRO  12          HG1       PRO  12 -11.666  11.592  -0.342
   71   1HD   PRO  12          HD2       PRO  12 -10.595   9.528   1.283
   72   2HD   PRO  12          HD1       PRO  12 -11.657  10.848   1.823
   73    H    CYS  13           H        CYS  13 -11.117   7.675   0.103
   74    HA   CYS  13           HA       CYS  13 -11.698   5.685  -1.960
   75   1HB   CYS  13          HB2       CYS  13  -9.336   6.662  -0.527
   76   2HB   CYS  13          HB1       CYS  13  -9.321   4.915  -0.761
   77    H    CYS  14           H        CYS  14 -12.487   5.870   1.257
   78    HA   CYS  14           HA       CYS  14 -12.436   2.891   1.504
   79   1HB   CYS  14          HB2       CYS  14 -10.967   3.765   3.182
   80   2HB   CYS  14          HB1       CYS  14 -12.119   5.025   3.621
   81    H    ASP  15           H        ASP  15 -14.440   2.033   1.439
   82    HA   ASP  15           HA       ASP  15 -16.831   3.609   1.441
   83   1HB   ASP  15          HB2       ASP  15 -16.526   1.250   0.491
   84   2HB   ASP  15          HB1       ASP  15 -16.671   0.670   2.152
   85    H    ALA  16           H        ALA  16 -17.548   4.696   3.221
   86    HA   ALA  16           HA       ALA  16 -16.733   4.066   5.901
   87   1HB   ALA  16          HB1       ALA  16 -18.777   5.880   4.667
   88   2HB   ALA  16          HB2       ALA  16 -17.405   6.283   5.698
   89   3HB   ALA  16          HB3       ALA  16 -18.857   5.569   6.401
   90    H    ALA  17           H        ALA  17 -19.571   3.207   3.971
   91    HA   ALA  17           HA       ALA  17 -21.219   2.141   5.997
   92   1HB   ALA  17          HB1       ALA  17 -22.480   1.520   4.230
   93   2HB   ALA  17          HB2       ALA  17 -21.214   0.446   3.635
   94   3HB   ALA  17          HB3       ALA  17 -21.205   2.153   3.189
   95    H    THR  18           H        THR  18 -18.721   0.451   4.068
   96    HA   THR  18           HA       THR  18 -18.828  -1.808   5.988
   97    HB   THR  18           HB       THR  18 -17.842  -3.105   4.345
   98    HG1  THR  18           HG1      THR  18 -15.981  -2.377   3.745
   99   1HG2  THR  18          1HG2      THR  18 -18.833  -2.598   2.237
  100   2HG2  THR  18          2HG2      THR  18 -18.805  -0.864   2.559
  101   3HG2  THR  18          3HG2      THR  18 -19.917  -1.908   3.445
  102    H    CYS  19           H        CYS  19 -17.120   1.073   5.518
  103    HA   CYS  19           HA       CYS  19 -15.275   1.947   6.697
  104   1HB   CYS  19          HB2       CYS  19 -16.244   0.048   8.404
  105   2HB   CYS  19          HB1       CYS  19 -14.633  -0.589   8.085
  106    H    LYS  20           H        LYS  20 -15.268  -0.298   4.383
  107    HA   LYS  20           HA       LYS  20 -12.284  -0.537   4.394
  108   1HB   LYS  20          HB2       LYS  20 -14.223  -2.476   3.103
  109   2HB   LYS  20          HB1       LYS  20 -12.479  -2.674   3.285
  110   1HG   LYS  20          HG2       LYS  20 -12.966  -2.411   5.841
  111   2HG   LYS  20          HG1       LYS  20 -14.622  -2.819   5.394
  112   1HD   LYS  20          HD2       LYS  20 -12.560  -4.561   4.201
  113   2HD   LYS  20          HD1       LYS  20 -12.693  -4.669   5.957
  114   1HE   LYS  20          HE2       LYS  20 -14.885  -5.438   5.881
  115   2HE   LYS  20          HE1       LYS  20 -15.200  -4.699   4.312
  116   1HZ   LYS  20          HZ1       LYS  20 -13.111  -6.575   4.076
  117   2HZ   LYS  20          HZ2       LYS  20 -14.631  -6.574   3.317
  118   3HZ   LYS  20          HZ3       LYS  20 -14.436  -7.317   4.831
  119    H    LEU  21           H        LEU  21 -11.363  -0.721   2.150
  120    HA   LEU  21           HA       LEU  21 -11.838   1.451   0.536
  121   1HB   LEU  21          HB2       LEU  21 -10.922  -1.330  -0.178
  122   2HB   LEU  21          HB1       LEU  21 -11.017  -0.055  -1.395
  123    HG   LEU  21           HG       LEU  21  -9.716   0.872   1.045
  124   1HD1  LEU  21          1HD1      LEU  21  -9.116  -1.654   0.901
  125   2HD1  LEU  21          2HD1      LEU  21  -7.795  -0.496   1.059
  126   3HD1  LEU  21          3HD1      LEU  21  -8.171  -1.195  -0.515
  127   1HD2  LEU  21          1HD2      LEU  21  -8.042   0.802  -1.293
  128   2HD2  LEU  21          2HD2      LEU  21  -8.807   2.197  -0.530
  129   3HD2  LEU  21          3HD2      LEU  21  -9.671   1.282  -1.765
  130    H    ARG  22           H        ARG  22 -13.521   2.143  -0.676
  131    HA   ARG  22           HA       ARG  22 -15.817   0.358  -1.095
  132   1HB   ARG  22          HB2       ARG  22 -15.706   2.988  -0.551
  133   2HB   ARG  22          HB1       ARG  22 -15.764   3.075  -2.310
  134   1HG   ARG  22          HG2       ARG  22 -17.663   1.123  -1.304
  135   2HG   ARG  22          HG1       ARG  22 -17.946   2.713  -0.595
  136   1HD   ARG  22          HD2       ARG  22 -17.545   3.467  -3.142
  137   2HD   ARG  22          HD1       ARG  22 -18.160   1.840  -3.434
  138    HE   ARG  22           HE       ARG  22 -19.881   3.104  -1.557
  139   1HH1  ARG  22          1HH1      ARG  22 -19.492   2.329  -4.802
  140   2HH1  ARG  22          2HH1      ARG  22 -20.692   3.429  -5.391
  141   1HH2  ARG  22          1HH2      ARG  22 -21.176   4.963  -2.320
  142   2HH2  ARG  22          2HH2      ARG  22 -21.648   4.919  -3.985
  143    HA   PRO  23           HA       PRO  23 -14.629   1.186  -5.640
  144   1HB   PRO  23          HB2       PRO  23 -12.245   2.462  -6.128
  145   2HB   PRO  23          HB1       PRO  23 -13.786   3.312  -5.917
  146   1HG   PRO  23          HG2       PRO  23 -11.485   3.115  -4.042
  147   2HG   PRO  23          HG1       PRO  23 -12.746   4.354  -4.143
  148   1HD   PRO  23          HD2       PRO  23 -12.612   2.220  -2.266
  149   2HD   PRO  23          HD1       PRO  23 -13.979   3.325  -2.516
  150    H    GLY  24           H        GLY  24 -12.220   0.785  -7.029
  151   1HA   GLY  24          HA2       GLY  24 -11.484  -1.903  -6.061
  152   2HA   GLY  24          HA1       GLY  24 -11.058  -1.214  -7.628
  153    H    ALA  25           H        ALA  25 -10.531   0.819  -4.898
  154    HA   ALA  25           HA       ALA  25  -7.706   0.984  -5.413
  155   1HB   ALA  25          HB1       ALA  25  -7.920   2.034  -2.925
  156   2HB   ALA  25          HB2       ALA  25  -9.608   2.112  -3.430
  157   3HB   ALA  25          HB3       ALA  25  -8.365   2.921  -4.383
  158    H    GLN  26           H        GLN  26  -5.980   0.024  -4.320
  159    HA   GLN  26           HA       GLN  26  -6.623  -2.437  -2.847
  160   1HB   GLN  26          HB2       GLN  26  -4.438  -1.475  -4.430
  161   2HB   GLN  26          HB1       GLN  26  -3.821  -1.896  -2.831
  162   1HG   GLN  26          HG2       GLN  26  -3.767  -4.013  -3.672
  163   2HG   GLN  26          HG1       GLN  26  -5.492  -4.001  -3.306
  164   1HE2  GLN  26          1HE2      GLN  26  -3.537  -2.517  -5.961
  165   2HE2  GLN  26          2HE2      GLN  26  -4.486  -3.161  -7.212
  166    H    CYS  27           H        CYS  27  -6.258   0.774  -2.010
  167    HA   CYS  27           HA       CYS  27  -6.025   0.112   0.822
  168   1HB   CYS  27          HB2       CYS  27  -4.007   1.561   1.171
  169   2HB   CYS  27          HB1       CYS  27  -3.663   0.084   0.269
  170    H    GLY  28           H        GLY  28  -6.969   1.733   2.052
  171   1HA   GLY  28          HA2       GLY  28  -8.055   4.044   0.548
  172   2HA   GLY  28          HA1       GLY  28  -8.636   3.479   2.110
  173    H    GLU  29           H        GLU  29  -5.677   3.241   2.913
  174    HA   GLU  29           HA       GLU  29  -4.664   5.951   2.888
  175   1HB   GLU  29          HB2       GLU  29  -5.018   6.417   5.283
  176   2HB   GLU  29          HB1       GLU  29  -6.550   6.256   4.431
  177   1HG   GLU  29          HG2       GLU  29  -7.129   4.381   5.568
  178   2HG   GLU  29          HG1       GLU  29  -5.495   3.719   5.489
  179    H    GLY  30           H        GLY  30  -3.022   6.003   5.019
  180   1HA   GLY  30          HA2       GLY  30  -1.601   4.313   6.313
  181   2HA   GLY  30          HA1       GLY  30  -1.469   3.456   4.775
  182    H    LEU  31           H        LEU  31   0.892   3.778   4.857
  183    HA   LEU  31           HA       LEU  31   1.633   6.587   4.197
  184   1HB   LEU  31          HB2       LEU  31   4.012   5.742   4.925
  185   2HB   LEU  31          HB1       LEU  31   2.853   6.310   6.122
  186    HG   LEU  31           HG       LEU  31   2.105   3.798   6.187
  187   1HD1  LEU  31          1HD1      LEU  31   3.706   3.425   4.185
  188   2HD1  LEU  31          2HD1      LEU  31   3.706   2.226   5.473
  189   3HD1  LEU  31          3HD1      LEU  31   4.979   3.444   5.386
  190   1HD2  LEU  31          1HD2      LEU  31   4.822   4.210   7.362
  191   2HD2  LEU  31          2HD2      LEU  31   3.354   3.607   8.124
  192   3HD2  LEU  31          3HD2      LEU  31   3.551   5.333   7.837
  193    H    CYS  32           H        CYS  32   1.865   3.211   3.263
  194    HA   CYS  32           HA       CYS  32   3.604   3.964   0.968
  195   1HB   CYS  32          HB2       CYS  32   2.575   1.245   0.838
  196   2HB   CYS  32          HB1       CYS  32   4.244   1.797   0.873
  197    H    CYS  33           H        CYS  33   0.384   4.043   1.739
  198    HA   CYS  33           HA       CYS  33  -0.671   3.091  -0.821
  199   1HB   CYS  33          HB2       CYS  33  -1.992   2.855   1.250
  200   2HB   CYS  33          HB1       CYS  33  -2.023   4.607   1.430
  201    H    GLU  34           H        GLU  34   0.019   4.384  -2.505
  202    HA   GLU  34           HA       GLU  34  -0.463   7.323  -2.237
  203   1HB   GLU  34          HB2       GLU  34   1.135   6.090  -4.470
  204   2HB   GLU  34          HB1       GLU  34   1.261   7.707  -3.777
  205   1HG   GLU  34          HG2       GLU  34   1.934   5.205  -2.214
  206   2HG   GLU  34          HG1       GLU  34   3.134   6.103  -3.145
  207    H    GLN  35           H        GLN  35  -2.306   7.982  -3.234
  208    HA   GLN  35           HA       GLN  35  -3.968   8.156  -4.898
  209   1HB   GLN  35          HB2       GLN  35  -1.767   7.428  -6.329
  210   2HB   GLN  35          HB1       GLN  35  -2.814   6.039  -6.620
  211   1HG   GLN  35          HG2       GLN  35  -3.431   7.514  -8.340
  212   2HG   GLN  35          HG1       GLN  35  -4.651   7.826  -7.105
  213   1HE2  GLN  35          1HE2      GLN  35  -3.072   9.567  -9.255
  214   2HE2  GLN  35          2HE2      GLN  35  -2.675  10.955  -8.363
  215    H    CYS  36           H        CYS  36  -3.884   6.135  -2.700
  216    HA   CYS  36           HA       CYS  36  -5.280   4.408  -1.949
  217   1HB   CYS  36          HB2       CYS  36  -6.674   4.805  -4.611
  218   2HB   CYS  36          HB1       CYS  36  -7.320   3.942  -3.215
  219    H    LYS  37           H        LYS  37  -2.841   3.923  -3.591
  220    HA   LYS  37           HA       LYS  37  -3.513   1.128  -4.379
  221   1HB   LYS  37          HB2       LYS  37  -3.120   2.946  -6.305
  222   2HB   LYS  37          HB1       LYS  37  -1.432   2.570  -5.960
  223   1HG   LYS  37          HG2       LYS  37  -2.015   0.124  -6.200
  224   2HG   LYS  37          HG1       LYS  37  -3.609   0.623  -6.764
  225   1HD   LYS  37          HD2       LYS  37  -1.954   2.170  -8.320
  226   2HD   LYS  37          HD1       LYS  37  -1.019   0.681  -8.166
  227   1HE   LYS  37          HE2       LYS  37  -3.254  -0.520  -8.731
  228   2HE   LYS  37          HE1       LYS  37  -3.777   1.058  -9.320
  229   1HZ   LYS  37          HZ1       LYS  37  -1.201   0.564 -10.294
  230   2HZ   LYS  37          HZ2       LYS  37  -2.649   0.703 -11.171
  231   3HZ   LYS  37          HZ3       LYS  37  -2.140  -0.815 -10.602
  232    H    PHE  38           H        PHE  38  -2.097  -0.332  -3.524
  233    HA   PHE  38           HA       PHE  38  -0.220   0.338  -1.545
  234   1HB   PHE  38          HB2       PHE  38  -0.427  -2.073  -3.354
  235   2HB   PHE  38          HB1       PHE  38   0.791  -1.956  -2.088
  236    HD1  PHE  38           HD2      PHE  38  -0.500  -0.711   0.143
  237    HD2  PHE  38           HD1      PHE  38  -2.132  -3.513  -2.674
  238    HE1  PHE  38           HE2      PHE  38  -2.167  -1.438   1.831
  239    HE2  PHE  38           HE1      PHE  38  -3.797  -4.241  -0.985
  240    HZ   PHE  38           HZ       PHE  38  -3.814  -3.203   1.266
  241    H    SER  39           H        SER  39   1.678   1.428  -1.725
  242    HA   SER  39           HA       SER  39   2.895   2.057  -4.242
  243   1HB   SER  39          HB2       SER  39   3.647   2.341  -1.368
  244   2HB   SER  39          HB1       SER  39   4.951   2.427  -2.547
  245    HG   SER  39           HG       SER  39   3.404   3.942  -3.665
  246    H    ARG  40           H        ARG  40   5.561   1.452  -4.105
  247    HA   ARG  40           HA       ARG  40   5.503  -1.515  -4.355
  248   1HB   ARG  40          HB2       ARG  40   7.800   0.182  -5.284
  249   2HB   ARG  40          HB1       ARG  40   7.192  -1.333  -5.953
  250   1HG   ARG  40          HG2       ARG  40   5.166  -0.168  -6.752
  251   2HG   ARG  40          HG1       ARG  40   5.778   1.347  -6.087
  252   1HD   ARG  40          HD2       ARG  40   6.920   1.700  -7.990
  253   2HD   ARG  40          HD1       ARG  40   7.855   0.238  -7.679
  254    HE   ARG  40           HE       ARG  40   5.219  -0.178  -8.928
  255   1HH1  ARG  40          1HH2      ARG  40   7.771   1.335 -10.254
  256   2HH1  ARG  40          2HH2      ARG  40   8.233   0.081 -11.356
  257   1HH2  ARG  40          1HH1      ARG  40   6.175  -2.308  -9.915
  258   2HH2  ARG  40          2HH1      ARG  40   7.332  -1.982 -11.162
  259    H    ALA  41           H        ALA  41   7.082  -2.783  -3.266
  260    HA   ALA  41           HA       ALA  41   7.851  -2.014  -0.680
  261   1HB   ALA  41          HB1       ALA  41   8.118  -4.302  -2.189
  262   2HB   ALA  41          HB2       ALA  41   8.802  -4.076  -0.580
  263   3HB   ALA  41          HB3       ALA  41   9.795  -3.786  -2.008
  264    H    GLY  42           H        GLY  42  10.338  -1.906  -0.034
  265   1HA   GLY  42          HA2       GLY  42  12.351  -0.679  -0.183
  266   2HA   GLY  42          HA1       GLY  42  12.070  -0.553  -1.916
  267    H    LYS  43           H        LYS  43   9.532   0.402   0.270
  268    HA   LYS  43           HA       LYS  43  10.016   3.233  -0.585
  269   1HB   LYS  43          HB2       LYS  43   7.863   2.655  -1.304
  270   2HB   LYS  43          HB1       LYS  43   7.543   1.673   0.120
  271   1HG   LYS  43          HG2       LYS  43   6.290   3.837   0.129
  272   2HG   LYS  43          HG1       LYS  43   7.371   3.666   1.513
  273   1HD   LYS  43          HD2       LYS  43   8.031   5.765   0.866
  274   2HD   LYS  43          HD1       LYS  43   9.067   4.845  -0.225
  275   1HE   LYS  43          HE2       LYS  43   6.311   5.909  -0.908
  276   2HE   LYS  43          HE1       LYS  43   7.838   6.615  -1.440
  277   1HZ   LYS  43          HZ1       LYS  43   6.583   4.081  -2.239
  278   2HZ   LYS  43          HZ2       LYS  43   8.274   4.220  -2.295
  279   3HZ   LYS  43          HZ3       LYS  43   7.302   5.276  -3.203
  280    H    ILE  44           H        ILE  44  11.071   4.363   0.950
  281    HA   ILE  44           HA       ILE  44  11.382   3.649   3.649
  282    HB   ILE  44           HB       ILE  44  12.845   5.296   2.697
  283   1HG1  ILE  44          2HG1      ILE  44  12.558   7.192   4.333
  284   2HG1  ILE  44          1HG1      ILE  44  11.000   6.498   4.784
  285   1HG2  ILE  44          1HG2      ILE  44  10.273   6.502   1.882
  286   2HG2  ILE  44          2HG2      ILE  44  11.845   6.555   1.083
  287   3HG2  ILE  44          3HG2      ILE  44  11.494   7.657   2.414
  288   1HD1  ILE  44          1HD1      ILE  44  13.209   5.873   6.124
  289   2HD1  ILE  44          2HD1      ILE  44  13.398   4.711   4.811
  290   3HD1  ILE  44          3HD1      ILE  44  11.957   4.666   5.826
  291    H    CYS  45           H        CYS  45   9.963   3.616   5.322
  292    HA   CYS  45           HA       CYS  45   7.541   5.389   5.090
  293   1HB   CYS  45          HB2       CYS  45   6.423   3.747   6.582
  294   2HB   CYS  45          HB1       CYS  45   6.843   3.092   5.005
  295    H    ARG  46           H        ARG  46  10.400   4.983   6.812
  296    HA   ARG  46           HA       ARG  46   9.357   6.760   8.939
  297   1HB   ARG  46          HB2       ARG  46   9.716   4.001   9.389
  298   2HB   ARG  46          HB1       ARG  46  11.095   4.794  10.152
  299   1HG   ARG  46          HG2       ARG  46   9.769   5.970  11.642
  300   2HG   ARG  46          HG1       ARG  46   8.378   5.980  10.557
  301   1HD   ARG  46          HD2       ARG  46   9.081   3.261  11.258
  302   2HD   ARG  46          HD1       ARG  46   8.829   4.224  12.714
  303    HE   ARG  46           HE       ARG  46   6.770   4.341  10.572
  304   1HH1  ARG  46          1HH2      ARG  46   7.424   2.061  12.818
  305   2HH1  ARG  46          2HH2      ARG  46   6.024   2.315  13.805
  306   1HH2  ARG  46          1HH1      ARG  46   5.122   5.269  12.229
  307   2HH2  ARG  46          2HH1      ARG  46   4.720   4.130  13.470
  308    H    ILE  47           H        ILE  47  11.726   6.582  10.554
  309    HA   ILE  47           HA       ILE  47  13.391   8.479   9.334
  310    HB   ILE  47           HB       ILE  47  13.393   7.814  11.776
  311   1HG1  ILE  47          2HG1      ILE  47  15.970   8.000  11.936
  312   2HG1  ILE  47          1HG1      ILE  47  15.943   8.073  10.173
  313   1HG2  ILE  47          1HG2      ILE  47  13.679   5.315  11.040
  314   2HG2  ILE  47          2HG2      ILE  47  14.499   5.878  12.496
  315   3HG2  ILE  47          3HG2      ILE  47  15.398   5.714  10.986
  316   1HD1  ILE  47          1HD1      ILE  47  14.202   9.947  10.446
  317   2HD1  ILE  47          2HD1      ILE  47  15.869  10.341  10.866
  318   3HD1  ILE  47          3HD1      ILE  47  14.696   9.997  12.138
  319    HA   PRO  48           HA       PRO  48  15.497   5.888   6.378
  320   1HB   PRO  48          HB2       PRO  48  17.057   7.898   5.346
  321   2HB   PRO  48          HB1       PRO  48  15.351   7.669   4.920
  322   1HG   PRO  48          HG2       PRO  48  16.584   9.738   6.670
  323   2HG   PRO  48          HG1       PRO  48  15.068   9.800   5.755
  324   1HD   PRO  48          HD2       PRO  48  15.326   9.320   8.543
  325   2HD   PRO  48          HD1       PRO  48  13.854   9.121   7.573
  326    H    ARG  49           H        ARG  49  17.828   8.401   7.273
  327    HA   ARG  49           HA       ARG  49  19.655   6.252   8.250
  328   1HB   ARG  49          HB2       ARG  49  21.491   7.753   7.682
  329   2HB   ARG  49          HB1       ARG  49  20.426   7.595   6.285
  330   1HG   ARG  49          HG2       ARG  49  19.879   9.802   8.232
  331   2HG   ARG  49          HG1       ARG  49  21.236   9.986   7.120
  332   1HD   ARG  49          HD2       ARG  49  18.920   8.966   5.717
  333   2HD   ARG  49          HD1       ARG  49  18.518  10.461   6.562
  334    HE   ARG  49           HE       ARG  49  20.580  11.429   5.374
  335   1HH1  ARG  49          1HH2      ARG  49  17.996  10.578   3.740
  336   2HH1  ARG  49          2HH2      ARG  49  18.766  10.026   2.290
  337   1HH2  ARG  49          1HH1      ARG  49  21.935   9.927   3.690
  338   2HH2  ARG  49          2HH1      ARG  49  20.995   9.660   2.261
  339    H    GLY  50           H        GLY  50  21.466   8.098   9.520
  340   1HA   GLY  50          HA2       GLY  50  21.510   9.654  11.388
  341   2HA   GLY  50          HA1       GLY  50  19.813   9.278  11.696
  342    H    ASP  51           H        ASP  51  19.625   8.167  13.575
  343    HA   ASP  51           HA       ASP  51  21.820   6.309  14.357
  344   1HB   ASP  51          HB2       ASP  51  19.543   7.493  15.977
  345   2HB   ASP  51          HB1       ASP  51  20.783   6.412  16.616
  346    H    MET  52           H        MET  52  19.201   6.042  12.553
  347    HA   MET  52           HA       MET  52  18.611   3.300  13.542
  348   1HB   MET  52          HB2       MET  52  16.401   5.135  12.602
  349   2HB   MET  52          HB1       MET  52  16.254   3.605  13.464
  350   1HG   MET  52          HG2       MET  52  17.600   6.037  14.657
  351   2HG   MET  52          HG1       MET  52  15.889   5.675  14.888
  352   1HE   MET  52          HE1       MET  52  15.356   4.758  17.272
  353   2HE   MET  52          HE2       MET  52  15.586   3.013  17.319
  354   3HE   MET  52          HE3       MET  52  14.919   3.767  15.874
  355    HA   PRO  53           HA       PRO  53  18.796   2.291   9.275
  356   1HB   PRO  53          HB2       PRO  53  17.038   0.177   9.180
  357   2HB   PRO  53          HB1       PRO  53  18.660   0.076   9.886
  358   1HG   PRO  53          HG2       PRO  53  16.017   0.201  11.263
  359   2HG   PRO  53          HG1       PRO  53  17.541  -0.510  11.820
  360   1HD   PRO  53          HD2       PRO  53  16.490   1.983  12.631
  361   2HD   PRO  53          HD1       PRO  53  18.153   1.418  12.900
  362    H    ASP  54           H        ASP  54  17.666   2.552   7.281
  363    HA   ASP  54           HA       ASP  54  15.420   4.354   7.335
  364   1HB   ASP  54          HB2       ASP  54  16.276   2.699   4.953
  365   2HB   ASP  54          HB1       ASP  54  15.533   4.298   4.955
  366    H    ASP  55           H        ASP  55  13.327   3.763   7.728
  367    HA   ASP  55           HA       ASP  55  12.454   1.019   7.778
  368   1HB   ASP  55          HB2       ASP  55  11.449   3.344   8.765
  369   2HB   ASP  55          HB1       ASP  55  10.411   3.128   7.357
  370    H    ARG  56           H        ARG  56  10.667   0.179   6.255
  371    HA   ARG  56           HA       ARG  56  10.573   1.442   3.598
  372   1HB   ARG  56          HB2       ARG  56  12.750   0.023   3.918
  373   2HB   ARG  56          HB1       ARG  56  11.657  -1.345   3.706
  374   1HG   ARG  56          HG2       ARG  56  11.785  -1.024   1.493
  375   2HG   ARG  56          HG1       ARG  56  10.948   0.511   1.722
  376   1HD   ARG  56          HD2       ARG  56  13.073   0.876   0.536
  377   2HD   ARG  56          HD1       ARG  56  13.119   1.630   2.129
  378    HE   ARG  56           HE       ARG  56  14.194  -0.883   2.566
  379   1HH1  ARG  56          1HH1      ARG  56  14.882   2.005   0.852
  380   2HH1  ARG  56          2HH1      ARG  56  16.520   1.572   0.493
  381   1HH2  ARG  56          1HH2      ARG  56  16.271  -1.589   1.900
  382   2HH2  ARG  56          2HH2      ARG  56  17.307  -0.465   1.084
  383    H    CYS  57           H        CYS  57   8.673   0.948   2.621
  384    HA   CYS  57           HA       CYS  57   6.819  -0.877   3.950
  385   1HB   CYS  57          HB2       CYS  57   6.683   0.876   1.505
  386   2HB   CYS  57          HB1       CYS  57   5.429  -0.320   1.813
  387    H    THR  58           H        THR  58   5.978  -2.801   3.015
  388    HA   THR  58           HA       THR  58   7.917  -4.341   1.492
  389    HB   THR  58           HB       THR  58   6.404  -6.191   1.801
  390    HG1  THR  58           HG1      THR  58   4.566  -4.111   2.251
  391   1HG2  THR  58          1HG2      THR  58   6.755  -6.308   4.031
  392   2HG2  THR  58          2HG2      THR  58   5.742  -4.898   4.345
  393   3HG2  THR  58          3HG2      THR  58   7.430  -4.686   3.884
  394    H    GLY  59           H        GLY  59   5.503  -2.169   0.610
  395   1HA   GLY  59          HA2       GLY  59   5.046  -1.565  -1.671
  396   2HA   GLY  59          HA1       GLY  59   5.639  -3.148  -2.177
  397    H    GLN  60           H        GLN  60   4.039  -4.570  -0.153
  398    HA   GLN  60           HA       GLN  60   1.438  -4.432  -1.589
  399   1HB   GLN  60          HB2       GLN  60   1.063  -6.683  -0.852
  400   2HB   GLN  60          HB1       GLN  60   2.740  -6.617  -1.396
  401   1HG   GLN  60          HG2       GLN  60   3.455  -6.249   0.964
  402   2HG   GLN  60          HG1       GLN  60   1.776  -6.430   1.474
  403   1HE2  GLN  60          1HE2      GLN  60   1.682  -8.471   2.455
  404   2HE2  GLN  60          2HE2      GLN  60   2.264  -9.903   1.752
  405    H    SER  61           H        SER  61   2.887  -3.531   1.367
  406    HA   SER  61           HA       SER  61   0.271  -3.611   2.795
  407   1HB   SER  61          HB2       SER  61   1.940  -4.435   4.229
  408   2HB   SER  61          HB1       SER  61   3.132  -3.265   3.670
  409    HG   SER  61           HG       SER  61   1.877  -2.995   5.807
  410    H    ALA  62           H        ALA  62  -0.818  -1.730   3.328
  411    HA   ALA  62           HA       ALA  62  -0.002   0.726   1.961
  412   1HB   ALA  62          HB1       ALA  62  -2.358  -0.072   3.664
  413   2HB   ALA  62          HB2       ALA  62  -2.341   0.430   1.974
  414   3HB   ALA  62          HB3       ALA  62  -2.082   1.619   3.251
  415    H    ASP  63           H        ASP  63  -0.435  -0.302   5.349
  416    HA   ASP  63           HA       ASP  63   0.751   2.203   6.329
  417   1HB   ASP  63          HB2       ASP  63   0.329  -0.213   8.062
  418   2HB   ASP  63          HB1       ASP  63   0.122   1.494   8.458
  419    H    CYS  64           H        CYS  64   2.627   1.939   7.969
  420    HA   CYS  64           HA       CYS  64   4.664   0.205   6.682
  421   1HB   CYS  64          HB2       CYS  64   5.341   2.472   6.785
  422   2HB   CYS  64          HB1       CYS  64   4.914   2.618   8.472
  423    HA   PRO  65           HA       PRO  65   4.149  -2.337  10.308
  424   1HB   PRO  65          HB2       PRO  65   5.411  -4.474   9.150
  425   2HB   PRO  65          HB1       PRO  65   3.701  -4.113   8.907
  426   1HG   PRO  65          HG2       PRO  65   5.999  -3.767   7.047
  427   2HG   PRO  65          HG1       PRO  65   4.279  -3.979   6.678
  428   1HD   PRO  65          HD2       PRO  65   5.704  -1.538   6.620
  429   2HD   PRO  65          HD1       PRO  65   3.938  -1.723   6.572
  430    H    ARG  66           H        ARG  66   6.177  -4.175  10.928
  431    HA   ARG  66           HA       ARG  66   8.337  -2.346  11.740
  432   1HB   ARG  66          HB2       ARG  66   7.817  -5.273  12.341
  433   2HB   ARG  66          HB1       ARG  66   9.158  -4.346  13.012
  434   1HG   ARG  66          HG2       ARG  66   7.766  -3.020  14.325
  435   2HG   ARG  66          HG1       ARG  66   6.369  -3.275  13.279
  436   1HD   ARG  66          HD2       ARG  66   5.687  -4.976  14.578
  437   2HD   ARG  66          HD1       ARG  66   7.208  -5.819  14.289
  438    HE   ARG  66           HE       ARG  66   7.830  -3.926  16.228
  439   1HH1  ARG  66          1HH2      ARG  66   7.228  -7.094  16.236
  440   2HH1  ARG  66          2HH2      ARG  66   6.373  -7.175  17.740
  441   1HH2  ARG  66          1HH1      ARG  66   5.993  -3.739  18.014
  442   2HH2  ARG  66          2HH1      ARG  66   5.678  -5.274  18.750
  443    H    TYR  67           H        TYR  67  10.467  -2.474  11.003
  444    HA   TYR  67           HA       TYR  67  10.887  -3.635   8.391
  445   1HB   TYR  67          HB2       TYR  67  12.077  -1.604   9.095
  446   2HB   TYR  67          HB1       TYR  67  12.878  -2.505  10.382
  447    HD1  TYR  67           HD2      TYR  67  12.167  -3.299   6.784
  448    HD2  TYR  67           HD1      TYR  67  15.135  -2.791   9.850
  449    HE1  TYR  67           HE2      TYR  67  13.934  -4.003   5.193
  450    HE2  TYR  67           HE1      TYR  67  16.900  -3.497   8.257
  451    HH   TYR  67           HH       TYR  67  17.352  -3.847   6.054
  452    H    HIS  68           H        HIS  68  12.582  -4.314  11.478
  453    HA   HIS  68           HA       HIS  68  12.615  -7.190  10.696
  454   1HB   HIS  68          HB2       HIS  68  14.956  -7.390  11.320
  455   2HB   HIS  68          HB1       HIS  68  14.807  -6.111  10.114
  456    HD1  HIS  68           HD1      HIS  68  14.345  -3.613  11.369
  457    HD2  HIS  68           HD2      HIS  68  16.435  -6.537  13.481
  458    HE1  HIS  68           HE1      HIS  68  15.607  -2.407  13.204
  Start of MODEL   19
    1   1H    GLY   1          HT1       GLY   1  -9.293  -6.618  11.096
    2   2H    GLY   1          HT2       GLY   1  -8.170  -7.161  12.248
    3   3H    GLY   1          HT3       GLY   1  -8.031  -5.599  11.594
    4   1HA   GLY   1          HA1       GLY   1  -9.175  -6.130  13.947
    5   2HA   GLY   1          HA2       GLY   1  -9.560  -4.722  12.957
    6    H    LYS   2           H        LYS   2 -11.434  -4.863  11.535
    7    HA   LYS   2           HA       LYS   2 -13.288  -7.118  12.146
    8   1HB   LYS   2          HB2       LYS   2 -13.575  -4.343  12.947
    9   2HB   LYS   2          HB1       LYS   2 -14.901  -4.832  11.892
   10   1HG   LYS   2          HG2       LYS   2 -15.491  -6.657  13.321
   11   2HG   LYS   2          HG1       LYS   2 -14.002  -6.495  14.254
   12   1HD   LYS   2          HD2       LYS   2 -15.269  -3.964  14.332
   13   2HD   LYS   2          HD1       LYS   2 -16.524  -5.161  14.650
   14   1HE   LYS   2          HE2       LYS   2 -15.660  -5.685  16.675
   15   2HE   LYS   2          HE1       LYS   2 -14.014  -5.744  16.045
   16   1HZ   LYS   2          HZ1       LYS   2 -14.176  -3.962  17.605
   17   2HZ   LYS   2          HZ2       LYS   2 -15.539  -3.318  16.820
   18   3HZ   LYS   2          HZ3       LYS   2 -14.021  -3.287  16.057
   19    H    GLU   3           H        GLU   3 -13.812  -4.091  10.363
   20    HA   GLU   3           HA       GLU   3 -13.575  -5.479   7.774
   21   1HB   GLU   3          HB2       GLU   3 -15.920  -4.754   7.135
   22   2HB   GLU   3          HB1       GLU   3 -15.849  -6.069   8.309
   23   1HG   GLU   3          HG2       GLU   3 -15.858  -4.029  10.035
   24   2HG   GLU   3          HG1       GLU   3 -16.682  -3.228   8.695
   25    H    CYS   4           H        CYS   4 -12.311  -3.183   9.162
   26    HA   CYS   4           HA       CYS   4 -13.188  -0.999   7.332
   27   1HB   CYS   4          HB2       CYS   4 -13.197  -0.570   9.850
   28   2HB   CYS   4          HB1       CYS   4 -11.441  -0.679   9.780
   29    H    ASP   5           H        ASP   5 -11.667  -0.065   5.957
   30    HA   ASP   5           HA       ASP   5  -9.023  -1.457   5.855
   31   1HB   ASP   5          HB2       ASP   5 -10.644  -1.617   3.867
   32   2HB   ASP   5          HB1       ASP   5 -10.304   0.092   3.596
   33    H    CYS   6           H        CYS   6 -10.642   1.606   6.143
   34    HA   CYS   6           HA       CYS   6  -7.977   2.969   6.102
   35   1HB   CYS   6          HB2       CYS   6  -9.118   5.011   5.475
   36   2HB   CYS   6          HB1       CYS   6  -9.649   3.742   4.373
   37    H    SER   7           H        SER   7  -8.006   4.957   7.646
   38    HA   SER   7           HA       SER   7  -9.305   4.064  10.184
   39   1HB   SER   7          HB2       SER   7  -7.084   6.093  10.052
   40   2HB   SER   7          HB1       SER   7  -7.511   5.005  11.368
   41    HG   SER   7           HG       SER   7  -6.578   3.347  10.312
   42    H    SER   8           H        SER   8 -10.114   5.981   7.786
   43    HA   SER   8           HA       SER   8 -11.240   8.061   9.602
   44   1HB   SER   8          HB2       SER   8  -9.877   8.457   6.935
   45   2HB   SER   8          HB1       SER   8 -10.995   9.649   7.594
   46    HG   SER   8           HG       SER   8  -9.281  10.318   8.618
   47    HA   PRO   9           HA       PRO   9 -14.939   6.717   7.567
   48   1HB   PRO   9          HB2       PRO   9 -16.603   8.589   8.699
   49   2HB   PRO   9          HB1       PRO   9 -16.020   7.152   9.556
   50   1HG   PRO   9          HG2       PRO   9 -15.172   9.994   9.864
   51   2HG   PRO   9          HG1       PRO   9 -15.111   8.671  11.040
   52   1HD   PRO   9          HD2       PRO   9 -12.923   9.664   9.540
   53   2HD   PRO   9          HD1       PRO   9 -12.953   8.155  10.477
   54    H    GLU  10           H        GLU  10 -14.100  10.182   7.639
   55    HA   GLU  10           HA       GLU  10 -15.842  10.945   5.482
   56   1HB   GLU  10          HB2       GLU  10 -13.265  12.251   6.413
   57   2HB   GLU  10          HB1       GLU  10 -14.503  13.005   5.406
   58   1HG   GLU  10          HG2       GLU  10 -15.585  11.828   7.864
   59   2HG   GLU  10          HG1       GLU  10 -14.413  13.112   8.168
   60    H    ASN  11           H        ASN  11 -12.587   9.614   5.600
   61    HA   ASN  11           HA       ASN  11 -11.645  10.250   3.040
   62   1HB   ASN  11          HB2       ASN  11 -10.284   9.016   4.653
   63   2HB   ASN  11          HB1       ASN  11 -11.366   7.628   4.537
   64   1HD2  ASN  11          1HD2      ASN  11  -9.412   6.388   3.768
   65   2HD2  ASN  11          2HD2      ASN  11  -8.934   6.526   2.145
   66    HA   PRO  12           HA       PRO  12 -14.844   8.228   0.660
   67   1HB   PRO  12          HB2       PRO  12 -13.971   9.172  -1.769
   68   2HB   PRO  12          HB1       PRO  12 -14.935  10.132  -0.633
   69   1HG   PRO  12          HG2       PRO  12 -12.030  10.338  -1.266
   70   2HG   PRO  12          HG1       PRO  12 -13.138  11.581  -0.662
   71   1HD   PRO  12          HD2       PRO  12 -11.248  10.143   0.883
   72   2HD   PRO  12          HD1       PRO  12 -12.565  11.154   1.514
   73    H    CYS  13           H        CYS  13 -11.449   7.698   0.564
   74    HA   CYS  13           HA       CYS  13 -11.441   5.789  -1.626
   75   1HB   CYS  13          HB2       CYS  13  -9.460   7.146  -0.423
   76   2HB   CYS  13          HB1       CYS  13  -9.352   5.646   0.501
   77    H    CYS  14           H        CYS  14 -12.892   5.624   1.328
   78    HA   CYS  14           HA       CYS  14 -12.832   2.666   1.241
   79   1HB   CYS  14          HB2       CYS  14 -12.480   2.512   3.682
   80   2HB   CYS  14          HB1       CYS  14 -11.101   3.263   2.881
   81    H    ASP  15           H        ASP  15 -14.908   2.078   1.110
   82    HA   ASP  15           HA       ASP  15 -17.163   3.684   1.516
   83   1HB   ASP  15          HB2       ASP  15 -16.821   1.168   0.636
   84   2HB   ASP  15          HB1       ASP  15 -17.389   0.807   2.265
   85    H    ALA  16           H        ALA  16 -18.178   4.444   3.316
   86    HA   ALA  16           HA       ALA  16 -17.049   3.862   5.948
   87   1HB   ALA  16          HB1       ALA  16 -17.962   6.124   5.180
   88   2HB   ALA  16          HB2       ALA  16 -18.514   5.571   6.761
   89   3HB   ALA  16          HB3       ALA  16 -19.571   5.427   5.359
   90    H    ALA  17           H        ALA  17 -19.972   3.008   4.144
   91    HA   ALA  17           HA       ALA  17 -21.565   1.936   6.186
   92   1HB   ALA  17          HB1       ALA  17 -21.634   1.891   3.423
   93   2HB   ALA  17          HB2       ALA  17 -22.783   1.065   4.476
   94   3HB   ALA  17          HB3       ALA  17 -21.398   0.190   3.824
   95    H    THR  18           H        THR  18 -18.789   0.478   4.527
   96    HA   THR  18           HA       THR  18 -18.831  -1.720   6.552
   97    HB   THR  18           HB       THR  18 -17.865  -3.144   4.976
   98    HG1  THR  18           HG1      THR  18 -17.123  -0.949   3.365
   99   1HG2  THR  18          1HG2      THR  18 -19.262  -1.214   3.117
  100   2HG2  THR  18          2HG2      THR  18 -20.140  -2.246   4.246
  101   3HG2  THR  18          3HG2      THR  18 -19.156  -2.969   2.975
  102    H    CYS  19           H        CYS  19 -17.175   1.067   5.444
  103    HA   CYS  19           HA       CYS  19 -15.320   2.158   6.419
  104   1HB   CYS  19          HB2       CYS  19 -16.132   0.689   8.473
  105   2HB   CYS  19          HB1       CYS  19 -14.687  -0.244   8.096
  106    H    LYS  20           H        LYS  20 -15.365  -0.259   4.360
  107    HA   LYS  20           HA       LYS  20 -12.422  -0.779   4.418
  108   1HB   LYS  20          HB2       LYS  20 -14.766  -2.267   3.270
  109   2HB   LYS  20          HB1       LYS  20 -13.159  -2.509   2.584
  110   1HG   LYS  20          HG2       LYS  20 -13.004  -2.560   5.467
  111   2HG   LYS  20          HG1       LYS  20 -14.220  -3.713   4.916
  112   1HD   LYS  20          HD2       LYS  20 -12.543  -4.619   3.286
  113   2HD   LYS  20          HD1       LYS  20 -11.334  -3.550   4.000
  114   1HE   LYS  20          HE2       LYS  20 -11.189  -4.778   5.937
  115   2HE   LYS  20          HE1       LYS  20 -12.884  -5.263   5.879
  116   1HZ   LYS  20          HZ1       LYS  20 -12.414  -7.070   4.669
  117   2HZ   LYS  20          HZ2       LYS  20 -10.831  -6.865   5.251
  118   3HZ   LYS  20          HZ3       LYS  20 -11.257  -6.276   3.716
  119    H    LEU  21           H        LEU  21 -11.818  -1.291   1.845
  120    HA   LEU  21           HA       LEU  21 -11.736   1.327   0.652
  121   1HB   LEU  21          HB2       LEU  21 -10.824  -1.409  -0.096
  122   2HB   LEU  21          HB1       LEU  21 -11.000  -0.237  -1.402
  123    HG   LEU  21           HG       LEU  21  -9.668   0.808   1.017
  124   1HD1  LEU  21          1HD1      LEU  21  -8.909  -1.720   0.418
  125   2HD1  LEU  21          2HD1      LEU  21  -7.790  -0.500   1.023
  126   3HD1  LEU  21          3HD1      LEU  21  -7.886  -0.828  -0.708
  127   1HD2  LEU  21          1HD2      LEU  21  -8.222   0.972  -1.490
  128   2HD2  LEU  21          2HD2      LEU  21  -8.933   2.272  -0.533
  129   3HD2  LEU  21          3HD2      LEU  21  -9.913   1.418  -1.725
  130    H    ARG  22           H        ARG  22 -13.287   2.288  -0.577
  131    HA   ARG  22           HA       ARG  22 -15.657   0.749  -1.354
  132   1HB   ARG  22          HB2       ARG  22 -15.185   3.417  -0.719
  133   2HB   ARG  22          HB1       ARG  22 -15.488   3.446  -2.456
  134   1HG   ARG  22          HG2       ARG  22 -17.380   1.658  -1.336
  135   2HG   ARG  22          HG1       ARG  22 -17.377   3.099  -0.317
  136   1HD   ARG  22          HD2       ARG  22 -17.700   4.524  -2.284
  137   2HD   ARG  22          HD1       ARG  22 -17.629   3.113  -3.340
  138    HE   ARG  22           HE       ARG  22 -19.738   2.335  -2.172
  139   1HH1  ARG  22          1HH1      ARG  22 -19.079   5.520  -3.085
  140   2HH1  ARG  22          2HH1      ARG  22 -20.509   6.195  -2.377
  141   1HH2  ARG  22          1HH2      ARG  22 -21.451   3.245  -0.817
  142   2HH2  ARG  22          2HH2      ARG  22 -21.853   4.907  -1.095
  143    HA   PRO  23           HA       PRO  23 -14.093   1.816  -5.725
  144   1HB   PRO  23          HB2       PRO  23 -11.671   3.092  -5.956
  145   2HB   PRO  23          HB1       PRO  23 -13.214   3.946  -5.794
  146   1HG   PRO  23          HG2       PRO  23 -11.058   3.576  -3.774
  147   2HG   PRO  23          HG1       PRO  23 -12.276   4.856  -3.893
  148   1HD   PRO  23          HD2       PRO  23 -12.348   2.627  -2.134
  149   2HD   PRO  23          HD1       PRO  23 -13.677   3.760  -2.454
  150    H    GLY  24           H        GLY  24 -11.686   1.401  -7.014
  151   1HA   GLY  24          HA2       GLY  24 -10.945  -1.292  -6.038
  152   2HA   GLY  24          HA1       GLY  24 -10.536  -0.616  -7.615
  153    H    ALA  25           H        ALA  25 -10.061   1.244  -4.702
  154    HA   ALA  25           HA       ALA  25  -7.229   1.549  -5.285
  155   1HB   ALA  25          HB1       ALA  25  -7.490   2.616  -2.809
  156   2HB   ALA  25          HB2       ALA  25  -9.177   2.644  -3.323
  157   3HB   ALA  25          HB3       ALA  25  -7.950   3.480  -4.277
  158    H    GLN  26           H        GLN  26  -5.479   0.775  -4.003
  159    HA   GLN  26           HA       GLN  26  -5.961  -1.823  -2.755
  160   1HB   GLN  26          HB2       GLN  26  -3.678  -0.307  -3.740
  161   2HB   GLN  26          HB1       GLN  26  -3.335  -1.047  -2.176
  162   1HG   GLN  26          HG2       GLN  26  -2.751  -2.666  -3.852
  163   2HG   GLN  26          HG1       GLN  26  -4.261  -3.211  -3.121
  164   1HE2  GLN  26          1HE2      GLN  26  -4.082  -4.322  -5.498
  165   2HE2  GLN  26          2HE2      GLN  26  -4.933  -3.490  -6.707
  166    H    CYS  27           H        CYS  27  -5.016   1.421  -1.675
  167    HA   CYS  27           HA       CYS  27  -5.814   0.626   1.079
  168   1HB   CYS  27          HB2       CYS  27  -3.525   0.513   1.410
  169   2HB   CYS  27          HB1       CYS  27  -3.168   1.704   0.170
  170    H    GLY  28           H        GLY  28  -7.298   2.048   1.824
  171   1HA   GLY  28          HA2       GLY  28  -7.858   4.493   0.328
  172   2HA   GLY  28          HA1       GLY  28  -8.738   3.924   1.745
  173    H    GLU  29           H        GLU  29  -5.923   3.636   3.044
  174    HA   GLU  29           HA       GLU  29  -5.011   6.387   3.308
  175   1HB   GLU  29          HB2       GLU  29  -7.158   6.313   4.646
  176   2HB   GLU  29          HB1       GLU  29  -6.369   5.156   5.715
  177   1HG   GLU  29          HG2       GLU  29  -4.711   6.742   6.369
  178   2HG   GLU  29          HG1       GLU  29  -5.159   7.848   5.071
  179    H    GLY  30           H        GLY  30  -2.967   6.439   4.181
  180   1HA   GLY  30          HA2       GLY  30  -1.736   4.870   6.078
  181   2HA   GLY  30          HA1       GLY  30  -1.608   3.888   4.617
  182    H    LEU  31           H        LEU  31   0.828   4.498   5.295
  183    HA   LEU  31           HA       LEU  31   1.510   7.136   4.107
  184   1HB   LEU  31          HB2       LEU  31   3.896   6.311   4.973
  185   2HB   LEU  31          HB1       LEU  31   2.748   7.105   6.045
  186    HG   LEU  31           HG       LEU  31   1.892   4.815   6.677
  187   1HD1  LEU  31          1HD1      LEU  31   3.784   4.114   4.584
  188   2HD1  LEU  31          2HD1      LEU  31   2.568   3.104   5.362
  189   3HD1  LEU  31          3HD1      LEU  31   4.160   3.272   6.075
  190   1HD2  LEU  31          1HD2      LEU  31   4.826   5.387   7.189
  191   2HD2  LEU  31          2HD2      LEU  31   3.785   4.376   8.189
  192   3HD2  LEU  31          3HD2      LEU  31   3.480   6.107   8.071
  193    H    CYS  32           H        CYS  32   1.913   3.684   3.743
  194    HA   CYS  32           HA       CYS  32   3.682   3.998   1.403
  195   1HB   CYS  32          HB2       CYS  32   2.370   1.566   2.661
  196   2HB   CYS  32          HB1       CYS  32   3.470   1.503   1.284
  197    H    CYS  33           H        CYS  33   0.649   4.808   1.734
  198    HA   CYS  33           HA       CYS  33  -0.489   3.299  -0.543
  199   1HB   CYS  33          HB2       CYS  33  -1.806   5.505   1.050
  200   2HB   CYS  33          HB1       CYS  33  -2.591   4.256   0.089
  201    H    GLU  34           H        GLU  34   0.466   4.114  -2.407
  202    HA   GLU  34           HA       GLU  34   0.620   7.048  -2.773
  203   1HB   GLU  34          HB2       GLU  34   1.577   4.703  -4.440
  204   2HB   GLU  34          HB1       GLU  34   1.699   6.380  -4.974
  205   1HG   GLU  34          HG2       GLU  34   2.786   6.633  -2.520
  206   2HG   GLU  34          HG1       GLU  34   3.216   4.954  -2.849
  207    H    GLN  35           H        GLN  35  -1.255   7.982  -3.472
  208    HA   GLN  35           HA       GLN  35  -3.220   8.303  -4.720
  209   1HB   GLN  35          HB2       GLN  35  -1.613   7.822  -6.621
  210   2HB   GLN  35          HB1       GLN  35  -2.112   6.133  -6.527
  211   1HG   GLN  35          HG2       GLN  35  -4.426   6.748  -6.997
  212   2HG   GLN  35          HG1       GLN  35  -4.003   8.461  -6.980
  213   1HE2  GLN  35          1HE2      GLN  35  -4.619   8.739  -9.247
  214   2HE2  GLN  35          2HE2      GLN  35  -3.674   8.095 -10.502
  215    H    CYS  36           H        CYS  36  -3.236   6.527  -2.515
  216    HA   CYS  36           HA       CYS  36  -4.645   4.936  -1.531
  217   1HB   CYS  36          HB2       CYS  36  -6.107   5.675  -4.028
  218   2HB   CYS  36          HB1       CYS  36  -6.595   4.207  -3.202
  219    H    LYS  37           H        LYS  37  -2.364   4.291  -3.479
  220    HA   LYS  37           HA       LYS  37  -3.175   1.459  -4.005
  221   1HB   LYS  37          HB2       LYS  37  -1.940   3.447  -5.726
  222   2HB   LYS  37          HB1       LYS  37  -0.916   2.019  -5.572
  223   1HG   LYS  37          HG2       LYS  37  -2.253   1.010  -7.080
  224   2HG   LYS  37          HG1       LYS  37  -3.514   1.004  -5.847
  225   1HD   LYS  37          HD2       LYS  37  -3.212   3.596  -7.200
  226   2HD   LYS  37          HD1       LYS  37  -3.694   2.289  -8.282
  227   1HE   LYS  37          HE2       LYS  37  -5.408   1.700  -6.397
  228   2HE   LYS  37          HE1       LYS  37  -5.121   3.356  -5.858
  229   1HZ   LYS  37          HZ1       LYS  37  -5.456   3.463  -8.604
  230   2HZ   LYS  37          HZ2       LYS  37  -6.532   4.016  -7.411
  231   3HZ   LYS  37          HZ3       LYS  37  -6.683   2.442  -8.030
  232    H    PHE  38           H        PHE  38  -1.771  -0.142  -3.256
  233    HA   PHE  38           HA       PHE  38  -0.065   0.437  -1.063
  234   1HB   PHE  38          HB2       PHE  38  -0.242  -1.951  -2.912
  235   2HB   PHE  38          HB1       PHE  38   0.876  -1.899  -1.551
  236    HD1  PHE  38           HD1      PHE  38  -0.741  -0.394   0.451
  237    HD2  PHE  38           HD2      PHE  38  -1.855  -3.542  -2.252
  238    HE1  PHE  38           HE1      PHE  38  -2.576  -1.061   1.980
  239    HE2  PHE  38           HE2      PHE  38  -3.689  -4.208  -0.721
  240    HZ   PHE  38           HZ       PHE  38  -4.049  -2.968   1.395
  241    H    SER  39           H        SER  39   1.962   1.281  -1.019
  242    HA   SER  39           HA       SER  39   3.360   1.932  -3.470
  243   1HB   SER  39          HB2       SER  39   3.508   3.225  -1.292
  244   2HB   SER  39          HB1       SER  39   4.501   1.912  -0.663
  245    HG   SER  39           HG       SER  39   5.074   3.231  -3.102
  246    H    ARG  40           H        ARG  40   5.448   1.075  -4.130
  247    HA   ARG  40           HA       ARG  40   5.612  -1.790  -3.986
  248   1HB   ARG  40          HB2       ARG  40   7.295   0.405  -5.114
  249   2HB   ARG  40          HB1       ARG  40   8.056  -1.170  -4.881
  250   1HG   ARG  40          HG2       ARG  40   6.743  -2.196  -6.466
  251   2HG   ARG  40          HG1       ARG  40   5.360  -1.147  -6.152
  252   1HD   ARG  40          HD2       ARG  40   7.515   0.460  -7.153
  253   2HD   ARG  40          HD1       ARG  40   7.290  -0.916  -8.234
  254    HE   ARG  40           HE       ARG  40   5.196   1.107  -7.587
  255   1HH1  ARG  40          1HH2      ARG  40   5.496  -2.028  -8.739
  256   2HH1  ARG  40          2HH2      ARG  40   4.680  -1.745 -10.239
  257   1HH2  ARG  40          1HH1      ARG  40   4.535   1.693  -9.817
  258   2HH2  ARG  40          2HH1      ARG  40   4.137   0.361 -10.852
  259    H    ALA  41           H        ALA  41   7.268  -3.073  -2.948
  260    HA   ALA  41           HA       ALA  41   7.808  -2.362  -0.243
  261   1HB   ALA  41          HB1       ALA  41   9.679  -4.258  -1.567
  262   2HB   ALA  41          HB2       ALA  41   7.968  -4.678  -1.640
  263   3HB   ALA  41          HB3       ALA  41   8.754  -4.448  -0.078
  264    H    GLY  42           H        GLY  42  10.063  -2.155   0.690
  265   1HA   GLY  42          HA2       GLY  42  12.138  -1.048   0.779
  266   2HA   GLY  42          HA1       GLY  42  12.201  -1.160  -0.983
  267    H    LYS  43           H        LYS  43   9.339   0.190   0.364
  268    HA   LYS  43           HA       LYS  43  10.116   2.837  -0.743
  269   1HB   LYS  43          HB2       LYS  43   8.002   2.228  -1.550
  270   2HB   LYS  43          HB1       LYS  43   7.510   1.524  -0.014
  271   1HG   LYS  43          HG2       LYS  43   6.340   3.642  -0.350
  272   2HG   LYS  43          HG1       LYS  43   7.480   3.810   0.987
  273   1HD   LYS  43          HD2       LYS  43   8.890   5.190  -0.205
  274   2HD   LYS  43          HD1       LYS  43   8.461   4.467  -1.756
  275   1HE   LYS  43          HE2       LYS  43   6.411   5.661  -1.871
  276   2HE   LYS  43          HE1       LYS  43   6.482   6.102  -0.164
  277   1HZ   LYS  43          HZ1       LYS  43   7.138   7.849  -1.882
  278   2HZ   LYS  43          HZ2       LYS  43   8.579   6.968  -2.052
  279   3HZ   LYS  43          HZ3       LYS  43   8.161   7.636  -0.547
  280    H    ILE  44           H        ILE  44  10.932   4.323   0.622
  281    HA   ILE  44           HA       ILE  44  11.234   4.085   3.386
  282    HB   ILE  44           HB       ILE  44  12.440   5.778   2.143
  283   1HG1  ILE  44          2HG1      ILE  44  11.975   7.778   3.580
  284   2HG1  ILE  44          1HG1      ILE  44  10.515   6.976   4.160
  285   1HG2  ILE  44          1HG2      ILE  44  10.597   7.854   1.758
  286   2HG2  ILE  44          2HG2      ILE  44   9.763   6.406   1.195
  287   3HG2  ILE  44          3HG2      ILE  44  11.324   6.851   0.503
  288   1HD1  ILE  44          1HD1      ILE  44  12.753   6.748   5.525
  289   2HD1  ILE  44          2HD1      ILE  44  13.146   5.534   4.307
  290   3HD1  ILE  44          3HD1      ILE  44  11.712   5.341   5.315
  291    H    CYS  45           H        CYS  45   9.690   3.849   4.905
  292    HA   CYS  45           HA       CYS  45   7.245   5.568   4.712
  293   1HB   CYS  45          HB2       CYS  45   5.924   3.708   5.601
  294   2HB   CYS  45          HB1       CYS  45   6.684   3.257   4.093
  295    H    ARG  46           H        ARG  46   9.955   5.351   6.340
  296    HA   ARG  46           HA       ARG  46   8.789   6.445   8.777
  297   1HB   ARG  46          HB2       ARG  46   8.607   4.031   9.254
  298   2HB   ARG  46          HB1       ARG  46  10.332   3.840   8.945
  299   1HG   ARG  46          HG2       ARG  46  10.926   4.800  10.937
  300   2HG   ARG  46          HG1       ARG  46   9.582   5.941  10.903
  301   1HD   ARG  46          HD2       ARG  46   8.984   3.027  11.261
  302   2HD   ARG  46          HD1       ARG  46   9.591   3.943  12.639
  303    HE   ARG  46           HE       ARG  46   6.951   4.225  11.422
  304   1HH1  ARG  46          1HH2      ARG  46   7.527   4.394  14.366
  305   2HH1  ARG  46          2HH2      ARG  46   7.341   6.089  14.671
  306   1HH2  ARG  46          1HH1      ARG  46   7.547   6.983  11.327
  307   2HH2  ARG  46          2HH1      ARG  46   7.350   7.555  12.950
  308    H    ILE  47           H        ILE  47  10.034   8.229   8.731
  309    HA   ILE  47           HA       ILE  47  12.980   7.795   8.797
  310    HB   ILE  47           HB       ILE  47  11.798   8.862   6.635
  311   1HG1  ILE  47          2HG1      ILE  47  14.223   8.415   7.031
  312   2HG1  ILE  47          1HG1      ILE  47  13.936   9.911   6.140
  313   1HG2  ILE  47          1HG2      ILE  47  11.768  11.270   6.687
  314   2HG2  ILE  47          2HG2      ILE  47  12.427  11.299   8.322
  315   3HG2  ILE  47          3HG2      ILE  47  10.789  10.710   8.043
  316   1HD1  ILE  47          1HD1      ILE  47  14.284  11.247   8.095
  317   2HD1  ILE  47          2HD1      ILE  47  15.611  10.086   8.046
  318   3HD1  ILE  47          3HD1      ILE  47  14.257   9.832   9.143
  319    HA   PRO  48           HA       PRO  48  12.160  10.020  12.587
  320   1HB   PRO  48          HB2       PRO  48  14.691   9.685  13.615
  321   2HB   PRO  48          HB1       PRO  48  13.426   8.446  13.689
  322   1HG   PRO  48          HG2       PRO  48  15.830   8.572  11.923
  323   2HG   PRO  48          HG1       PRO  48  14.939   7.157  12.509
  324   1HD   PRO  48          HD2       PRO  48  14.727   8.270   9.928
  325   2HD   PRO  48          HD1       PRO  48  13.590   7.117  10.655
  326    H    ARG  49           H        ARG  49  15.593  10.605  12.230
  327    HA   ARG  49           HA       ARG  49  15.038  13.368  11.254
  328   1HB   ARG  49          HB2       ARG  49  16.806  12.666  13.619
  329   2HB   ARG  49          HB1       ARG  49  16.569  14.282  12.952
  330   1HG   ARG  49          HG2       ARG  49  14.129  12.740  13.709
  331   2HG   ARG  49          HG1       ARG  49  15.117  13.392  15.016
  332   1HD   ARG  49          HD2       ARG  49  14.583  15.552  14.521
  333   2HD   ARG  49          HD1       ARG  49  14.600  15.261  12.781
  334    HE   ARG  49           HE       ARG  49  12.329  14.007  13.360
  335   1HH1  ARG  49          1HH1      ARG  49  12.113  16.868  12.562
  336   2HH1  ARG  49          2HH1      ARG  49  11.238  17.560  13.888
  337   1HH2  ARG  49          1HH2      ARG  49  11.852  14.900  16.026
  338   2HH2  ARG  49          2HH2      ARG  49  11.093  16.446  15.850
  339    H    GLY  50           H        GLY  50  16.613  10.572  10.673
  340   1HA   GLY  50          HA2       GLY  50  18.163  10.439   8.783
  341   2HA   GLY  50          HA1       GLY  50  18.814  12.006   9.262
  342    H    ASP  51           H        ASP  51  20.736  10.240   8.905
  343    HA   ASP  51           HA       ASP  51  22.485   9.058   9.930
  344   1HB   ASP  51          HB2       ASP  51  21.512  10.518  12.406
  345   2HB   ASP  51          HB1       ASP  51  23.124   9.851  12.140
  346    H    MET  52           H        MET  52  19.574   8.052  10.077
  347    HA   MET  52           HA       MET  52  20.167   5.870  12.010
  348   1HB   MET  52          HB2       MET  52  18.022   7.861  12.221
  349   2HB   MET  52          HB1       MET  52  17.428   6.202  12.257
  350   1HG   MET  52          HG2       MET  52  18.352   5.787  14.288
  351   2HG   MET  52          HG1       MET  52  19.844   6.637  13.881
  352   1HE   MET  52          HE1       MET  52  19.991   7.144  16.096
  353   2HE   MET  52          HE2       MET  52  19.223   8.468  16.967
  354   3HE   MET  52          HE3       MET  52  20.346   8.819  15.656
  355    HA   PRO  53           HA       PRO  53  18.442   3.291   8.903
  356   1HB   PRO  53          HB2       PRO  53  17.157   1.384  10.409
  357   2HB   PRO  53          HB1       PRO  53  18.920   1.489  10.260
  358   1HG   PRO  53          HG2       PRO  53  17.182   2.244  12.564
  359   2HG   PRO  53          HG1       PRO  53  18.881   1.743  12.557
  360   1HD   PRO  53          HD2       PRO  53  17.930   4.403  12.796
  361   2HD   PRO  53          HD1       PRO  53  19.608   3.917  12.473
  362    H    ASP  54           H        ASP  54  16.707   3.761   7.601
  363    HA   ASP  54           HA       ASP  54  14.143   4.559   8.874
  364   1HB   ASP  54          HB2       ASP  54  14.870   4.682   5.937
  365   2HB   ASP  54          HB1       ASP  54  13.564   5.537   6.759
  366    H    ASP  55           H        ASP  55  12.161   3.531   8.255
  367    HA   ASP  55           HA       ASP  55  12.487   0.692   7.563
  368   1HB   ASP  55          HB2       ASP  55  10.747   2.026   9.203
  369   2HB   ASP  55          HB1       ASP  55   9.755   1.798   7.763
  370    H    ARG  56           H        ARG  56  10.905  -0.236   5.892
  371    HA   ARG  56           HA       ARG  56  10.323   1.659   3.680
  372   1HB   ARG  56          HB2       ARG  56  11.644  -0.961   3.060
  373   2HB   ARG  56          HB1       ARG  56  11.531   0.490   2.064
  374   1HG   ARG  56          HG2       ARG  56  12.898   1.528   4.124
  375   2HG   ARG  56          HG1       ARG  56  13.429  -0.150   4.271
  376   1HD   ARG  56          HD2       ARG  56  14.379  -0.169   2.117
  377   2HD   ARG  56          HD1       ARG  56  13.456   1.243   1.599
  378    HE   ARG  56           HE       ARG  56  14.919   2.515   3.311
  379   1HH1  ARG  56          1HH2      ARG  56  16.389  -0.109   3.974
  380   2HH1  ARG  56          2HH2      ARG  56  17.845   0.104   3.064
  381   1HH2  ARG  56          1HH1      ARG  56  16.579   2.694   1.139
  382   2HH2  ARG  56          2HH1      ARG  56  17.952   1.689   1.457
  383    H    CYS  57           H        CYS  57   8.526   1.098   2.496
  384    HA   CYS  57           HA       CYS  57   6.619  -0.676   3.636
  385   1HB   CYS  57          HB2       CYS  57   6.689   0.022   0.699
  386   2HB   CYS  57          HB1       CYS  57   5.281  -0.257   1.721
  387    H    THR  58           H        THR  58   5.852  -2.730   2.767
  388    HA   THR  58           HA       THR  58   8.093  -4.367   1.723
  389    HB   THR  58           HB       THR  58   6.739  -6.291   2.417
  390    HG1  THR  58           HG1      THR  58   4.703  -6.022   3.155
  391   1HG2  THR  58          1HG2      THR  58   6.387  -4.462   4.735
  392   2HG2  THR  58          2HG2      THR  58   8.016  -4.600   4.074
  393   3HG2  THR  58          3HG2      THR  58   7.175  -6.038   4.654
  394    H    GLY  59           H        GLY  59   5.783  -2.549   0.355
  395   1HA   GLY  59          HA2       GLY  59   5.262  -2.587  -1.989
  396   2HA   GLY  59          HA1       GLY  59   5.680  -4.297  -2.030
  397    H    GLN  60           H        GLN  60   3.971  -4.595   0.522
  398    HA   GLN  60           HA       GLN  60   1.311  -4.488  -0.844
  399   1HB   GLN  60          HB2       GLN  60   2.399  -6.669   0.961
  400   2HB   GLN  60          HB1       GLN  60   0.757  -6.611   0.321
  401   1HG   GLN  60          HG2       GLN  60   3.230  -6.601  -1.429
  402   2HG   GLN  60          HG1       GLN  60   2.340  -8.065  -1.009
  403   1HE2  GLN  60          1HE2      GLN  60  -0.214  -7.718  -1.404
  404   2HE2  GLN  60          2HE2      GLN  60  -0.602  -7.010  -2.897
  405    H    SER  61           H        SER  61   3.136  -3.486   1.806
  406    HA   SER  61           HA       SER  61   0.806  -3.386   3.638
  407   1HB   SER  61          HB2       SER  61   2.822  -3.996   4.753
  408   2HB   SER  61          HB1       SER  61   3.739  -2.722   3.951
  409    HG   SER  61           HG       SER  61   3.284  -1.784   5.821
  410    H    ALA  62           H        ALA  62  -0.383  -1.545   3.928
  411    HA   ALA  62           HA       ALA  62   0.265   0.800   2.278
  412   1HB   ALA  62          HB1       ALA  62  -2.093  -0.266   3.597
  413   2HB   ALA  62          HB2       ALA  62  -1.979   0.901   2.283
  414   3HB   ALA  62          HB3       ALA  62  -1.888   1.449   3.955
  415    H    ASP  63           H        ASP  63  -0.021   0.026   5.745
  416    HA   ASP  63           HA       ASP  63   0.965   2.710   6.459
  417   1HB   ASP  63          HB2       ASP  63   0.768   0.484   8.453
  418   2HB   ASP  63          HB1       ASP  63   0.389   2.197   8.645
  419    H    CYS  64           H        CYS  64   2.919   2.766   8.005
  420    HA   CYS  64           HA       CYS  64   5.046   1.172   6.740
  421   1HB   CYS  64          HB2       CYS  64   5.374   3.611   7.186
  422   2HB   CYS  64          HB1       CYS  64   5.303   3.278   8.893
  423    HA   PRO  65           HA       PRO  65   4.704  -1.734  10.069
  424   1HB   PRO  65          HB2       PRO  65   6.348  -3.553   8.854
  425   2HB   PRO  65          HB1       PRO  65   4.632  -3.394   8.478
  426   1HG   PRO  65          HG2       PRO  65   7.008  -2.563   6.893
  427   2HG   PRO  65          HG1       PRO  65   5.370  -2.952   6.340
  428   1HD   PRO  65          HD2       PRO  65   6.450  -0.357   6.651
  429   2HD   PRO  65          HD1       PRO  65   4.738  -0.761   6.405
  430    H    ARG  66           H        ARG  66   6.923  -3.384  10.632
  431    HA   ARG  66           HA       ARG  66   8.777  -1.391  11.807
  432   1HB   ARG  66          HB2       ARG  66   9.274  -4.227  12.409
  433   2HB   ARG  66          HB1       ARG  66   9.066  -2.868  13.510
  434   1HG   ARG  66          HG2       ARG  66   6.555  -3.000  12.867
  435   2HG   ARG  66          HG1       ARG  66   6.949  -4.607  12.254
  436   1HD   ARG  66          HD2       ARG  66   7.433  -3.620  15.081
  437   2HD   ARG  66          HD1       ARG  66   6.177  -4.751  14.583
  438    HE   ARG  66           HE       ARG  66   8.288  -6.133  13.755
  439   1HH1  ARG  66          1HH1      ARG  66   9.763  -3.959  15.523
  440   2HH1  ARG  66          2HH1      ARG  66  10.115  -4.932  16.912
  441   1HH2  ARG  66          1HH2      ARG  66   7.962  -7.490  15.998
  442   2HH2  ARG  66          2HH2      ARG  66   9.094  -6.929  17.182
  443    H    TYR  67           H        TYR  67  11.057  -3.034  12.048
  444    HA   TYR  67           HA       TYR  67  12.109  -2.819   9.310
  445   1HB   TYR  67          HB2       TYR  67  13.467  -3.686  11.880
  446   2HB   TYR  67          HB1       TYR  67  14.280  -3.332  10.355
  447    HD1  TYR  67           HD2      TYR  67  14.026  -0.987   9.359
  448    HD2  TYR  67           HD1      TYR  67  12.928  -1.954  13.398
  449    HE1  TYR  67           HE2      TYR  67  14.095   1.420   9.953
  450    HE2  TYR  67           HE1      TYR  67  12.995   0.453  13.992
  451    HH   TYR  67           HH       TYR  67  12.845   2.865  11.915
  452    H    HIS  68           H        HIS  68  11.925  -5.392  11.796
  453    HA   HIS  68           HA       HIS  68  12.885  -7.541  10.297
  454   1HB   HIS  68          HB2       HIS  68  11.194  -7.200  12.637
  455   2HB   HIS  68          HB1       HIS  68  10.676  -8.588  11.677
  456    HD1  HIS  68           HD1      HIS  68  12.536 -10.435  11.181
  457    HD2  HIS  68           HD2      HIS  68  13.599  -7.574  14.020
  458    HE1  HIS  68           HE1      HIS  68  14.553 -11.356  12.405
  Start of MODEL   20
    1   1H    GLY   1          HT1       GLY   1 -10.048  -3.740  14.365
    2   2H    GLY   1          HT2       GLY   1  -9.996  -3.389  12.704
    3   3H    GLY   1          HT3       GLY   1  -8.610  -3.971  13.497
    4   1HA   GLY   1          HA1       GLY   1  -9.402  -6.113  13.651
    5   2HA   GLY   1          HA2       GLY   1 -11.075  -5.581  13.475
    6    H    LYS   2           H        LYS   2 -11.310  -7.129  11.712
    7    HA   LYS   2           HA       LYS   2  -9.813  -6.422   9.231
    8   1HB   LYS   2          HB2       LYS   2 -10.180  -8.870  10.295
    9   2HB   LYS   2          HB1       LYS   2 -11.637  -8.774   9.307
   10   1HG   LYS   2          HG2       LYS   2 -10.436  -8.607   7.312
   11   2HG   LYS   2          HG1       LYS   2  -8.988  -7.998   8.119
   12   1HD   LYS   2          HD2       LYS   2  -8.185 -10.100   8.139
   13   2HD   LYS   2          HD1       LYS   2  -9.487 -10.537   9.246
   14   1HE   LYS   2          HE2       LYS   2 -10.969 -10.996   7.323
   15   2HE   LYS   2          HE1       LYS   2  -9.660 -10.576   6.219
   16   1HZ   LYS   2          HZ1       LYS   2 -10.151 -13.051   7.153
   17   2HZ   LYS   2          HZ2       LYS   2  -8.939 -12.520   8.220
   18   3HZ   LYS   2          HZ3       LYS   2  -8.657 -12.528   6.544
   19    H    GLU   3           H        GLU   3 -11.992  -4.767  10.250
   20    HA   GLU   3           HA       GLU   3 -13.940  -5.168   8.013
   21   1HB   GLU   3          HB2       GLU   3 -14.562  -5.377  10.682
   22   2HB   GLU   3          HB1       GLU   3 -14.922  -3.681  10.361
   23   1HG   GLU   3          HG2       GLU   3 -15.920  -5.145   8.151
   24   2HG   GLU   3          HG1       GLU   3 -16.430  -6.014   9.600
   25    H    CYS   4           H        CYS   4 -11.618  -3.139   9.397
   26    HA   CYS   4           HA       CYS   4 -12.681  -0.886   7.758
   27   1HB   CYS   4          HB2       CYS   4 -13.052  -0.314  10.111
   28   2HB   CYS   4          HB1       CYS   4 -11.362  -0.661  10.479
   29    H    ASP   5           H        ASP   5 -11.247  -0.360   6.204
   30    HA   ASP   5           HA       ASP   5  -8.412  -1.198   6.559
   31   1HB   ASP   5          HB2       ASP   5  -9.964  -1.786   4.498
   32   2HB   ASP   5          HB1       ASP   5  -9.516  -0.164   3.968
   33    H    CYS   6           H        CYS   6 -10.434   1.570   6.531
   34    HA   CYS   6           HA       CYS   6  -8.030   3.326   6.213
   35   1HB   CYS   6          HB2       CYS   6  -9.596   5.106   5.521
   36   2HB   CYS   6          HB1       CYS   6  -9.730   3.702   4.462
   37    H    SER   7           H        SER   7  -7.401   4.200   8.126
   38    HA   SER   7           HA       SER   7  -8.826   3.934  10.561
   39   1HB   SER   7          HB2       SER   7  -6.832   6.123   9.930
   40   2HB   SER   7          HB1       SER   7  -7.206   5.440  11.511
   41    HG   SER   7           HG       SER   7  -6.554   3.368  10.320
   42    H    SER   8           H        SER   8  -8.879   6.502   8.131
   43    HA   SER   8           HA       SER   8 -10.588   8.199   9.819
   44   1HB   SER   8          HB2       SER   8 -10.470   8.948   7.009
   45   2HB   SER   8          HB1       SER   8  -9.942   9.850   8.426
   46    HG   SER   8           HG       SER   8  -8.077   9.420   7.440
   47    HA   PRO   9           HA       PRO   9 -14.229   6.175   8.228
   48   1HB   PRO   9          HB2       PRO   9 -16.018   7.702   9.648
   49   2HB   PRO   9          HB1       PRO   9 -15.102   6.359  10.354
   50   1HG   PRO   9          HG2       PRO   9 -14.703   9.292  10.706
   51   2HG   PRO   9          HG1       PRO   9 -14.271   7.962  11.794
   52   1HD   PRO   9          HD2       PRO   9 -12.493   9.365  10.087
   53   2HD   PRO   9          HD1       PRO   9 -12.146   7.850  10.948
   54    H    GLU  10           H        GLU  10 -13.146   9.287   7.580
   55    HA   GLU  10           HA       GLU  10 -15.530   9.886   5.879
   56   1HB   GLU  10          HB2       GLU  10 -13.413  11.709   7.052
   57   2HB   GLU  10          HB1       GLU  10 -14.612  12.239   5.870
   58   1HG   GLU  10          HG2       GLU  10 -16.222  12.379   7.446
   59   2HG   GLU  10          HG1       GLU  10 -15.853  10.764   8.051
   60    H    ASN  11           H        ASN  11 -12.386   8.720   5.751
   61    HA   ASN  11           HA       ASN  11 -11.208   9.959   3.530
   62   1HB   ASN  11          HB2       ASN  11 -10.428   7.927   5.030
   63   2HB   ASN  11          HB1       ASN  11 -11.141   6.966   3.735
   64   1HD2  ASN  11          1HD2      ASN  11  -8.242   8.333   4.680
   65   2HD2  ASN  11          2HD2      ASN  11  -7.506   8.490   3.158
   66    HA   PRO  12           HA       PRO  12 -14.195   8.953   0.390
   67   1HB   PRO  12          HB2       PRO  12 -12.830  10.147  -1.675
   68   2HB   PRO  12          HB1       PRO  12 -13.774  11.048  -0.474
   69   1HG   PRO  12          HG2       PRO  12 -10.817  10.812  -0.741
   70   2HG   PRO  12          HG1       PRO  12 -11.778  12.096   0.010
   71   1HD   PRO  12          HD2       PRO  12 -10.388  10.019   1.369
   72   2HD   PRO  12          HD1       PRO  12 -11.554  11.154   2.084
   73    H    CYS  13           H        CYS  13 -11.851   7.046   1.056
   74    HA   CYS  13           HA       CYS  13 -11.692   5.796  -1.650
   75   1HB   CYS  13          HB2       CYS  13  -9.525   6.850  -0.664
   76   2HB   CYS  13          HB1       CYS  13  -9.534   5.470   0.435
   77    H    CYS  14           H        CYS  14 -12.933   5.519   1.407
   78    HA   CYS  14           HA       CYS  14 -13.120   2.565   1.114
   79   1HB   CYS  14          HB2       CYS  14 -12.682   2.236   3.493
   80   2HB   CYS  14          HB1       CYS  14 -11.322   3.088   2.762
   81    H    ASP  15           H        ASP  15 -15.158   1.800   1.550
   82    HA   ASP  15           HA       ASP  15 -17.364   3.581   1.807
   83   1HB   ASP  15          HB2       ASP  15 -17.324   1.101   1.036
   84   2HB   ASP  15          HB1       ASP  15 -17.438   0.715   2.753
   85    H    ALA  16           H        ALA  16 -17.876   4.767   3.578
   86    HA   ALA  16           HA       ALA  16 -16.683   4.322   6.157
   87   1HB   ALA  16          HB1       ALA  16 -18.505   5.998   6.886
   88   2HB   ALA  16          HB2       ALA  16 -18.949   6.062   5.181
   89   3HB   ALA  16          HB3       ALA  16 -17.334   6.553   5.689
   90    H    ALA  17           H        ALA  17 -19.611   3.176   4.635
   91    HA   ALA  17           HA       ALA  17 -21.123   2.487   6.938
   92   1HB   ALA  17          HB1       ALA  17 -20.920   1.088   4.255
   93   2HB   ALA  17          HB2       ALA  17 -22.090   2.327   4.707
   94   3HB   ALA  17          HB3       ALA  17 -22.150   0.737   5.468
   95    H    THR  18           H        THR  18 -18.443   0.832   5.329
   96    HA   THR  18           HA       THR  18 -18.475  -1.178   7.546
   97    HB   THR  18           HB       THR  18 -18.776  -2.418   5.562
   98    HG1  THR  18           HG1      THR  18 -16.590  -3.256   5.141
   99   1HG2  THR  18          1HG2      THR  18 -16.950  -0.350   4.374
  100   2HG2  THR  18          2HG2      THR  18 -18.541  -0.876   3.822
  101   3HG2  THR  18          3HG2      THR  18 -17.137  -1.915   3.585
  102    H    CYS  19           H        CYS  19 -16.721   1.334   5.980
  103    HA   CYS  19           HA       CYS  19 -14.764   2.418   6.750
  104   1HB   CYS  19          HB2       CYS  19 -15.421   1.128   8.977
  105   2HB   CYS  19          HB1       CYS  19 -14.051   0.114   8.528
  106    H    LYS  20           H        LYS  20 -15.061   0.086   4.721
  107    HA   LYS  20           HA       LYS  20 -12.126  -0.514   4.559
  108   1HB   LYS  20          HB2       LYS  20 -14.378  -2.192   3.417
  109   2HB   LYS  20          HB1       LYS  20 -12.662  -2.597   3.439
  110   1HG   LYS  20          HG2       LYS  20 -12.819  -2.399   6.003
  111   2HG   LYS  20          HG1       LYS  20 -14.568  -2.434   5.778
  112   1HD   LYS  20          HD2       LYS  20 -13.902  -4.701   6.153
  113   2HD   LYS  20          HD1       LYS  20 -14.226  -4.564   4.423
  114   1HE   LYS  20          HE2       LYS  20 -11.802  -4.210   4.017
  115   2HE   LYS  20          HE1       LYS  20 -11.499  -4.421   5.742
  116   1HZ   LYS  20          HZ1       LYS  20 -11.348  -6.579   5.308
  117   2HZ   LYS  20          HZ2       LYS  20 -11.943  -6.389   3.728
  118   3HZ   LYS  20          HZ3       LYS  20 -13.020  -6.580   5.029
  119    H    LEU  21           H        LEU  21 -11.534  -1.060   2.151
  120    HA   LEU  21           HA       LEU  21 -11.884   1.278   0.586
  121   1HB   LEU  21          HB2       LEU  21 -10.961  -1.516  -0.020
  122   2HB   LEU  21          HB1       LEU  21 -11.181  -0.363  -1.336
  123    HG   LEU  21           HG       LEU  21  -9.782   0.891   0.861
  124   1HD1  LEU  21          1HD1      LEU  21  -9.190  -1.704   0.984
  125   2HD1  LEU  21          2HD1      LEU  21  -7.945  -0.473   1.193
  126   3HD1  LEU  21          3HD1      LEU  21  -8.133  -1.284  -0.362
  127   1HD2  LEU  21          1HD2      LEU  21  -8.110   0.527  -1.399
  128   2HD2  LEU  21          2HD2      LEU  21  -9.053   1.958  -0.987
  129   3HD2  LEU  21          3HD2      LEU  21  -9.752   0.710  -2.019
  130    H    ARG  22           H        ARG  22 -13.639   1.969  -0.558
  131    HA   ARG  22           HA       ARG  22 -15.902   0.127  -0.938
  132   1HB   ARG  22          HB2       ARG  22 -15.880   2.730  -0.297
  133   2HB   ARG  22          HB1       ARG  22 -15.975   2.890  -2.051
  134   1HG   ARG  22          HG2       ARG  22 -17.791   0.911  -0.755
  135   2HG   ARG  22          HG1       ARG  22 -18.176   2.623  -0.571
  136   1HD   ARG  22          HD2       ARG  22 -17.406   2.064  -3.300
  137   2HD   ARG  22          HD1       ARG  22 -18.714   0.992  -2.807
  138    HE   ARG  22           HE       ARG  22 -19.909   3.154  -2.079
  139   1HH1  ARG  22          1HH2      ARG  22 -18.376   2.534  -5.012
  140   2HH1  ARG  22          2HH2      ARG  22 -18.535   4.143  -5.633
  141   1HH2  ARG  22          1HH1      ARG  22 -19.734   5.460  -2.659
  142   2HH2  ARG  22          2HH1      ARG  22 -19.303   5.797  -4.304
  143    HA   PRO  23           HA       PRO  23 -14.899   1.120  -5.499
  144   1HB   PRO  23          HB2       PRO  23 -12.596   2.524  -6.025
  145   2HB   PRO  23          HB1       PRO  23 -14.165   3.296  -5.734
  146   1HG   PRO  23          HG2       PRO  23 -11.792   3.145  -3.945
  147   2HG   PRO  23          HG1       PRO  23 -13.108   4.330  -3.964
  148   1HD   PRO  23          HD2       PRO  23 -12.821   2.148  -2.162
  149   2HD   PRO  23          HD1       PRO  23 -14.238   3.200  -2.331
  150    H    GLY  24           H        GLY  24 -12.479   0.898  -6.948
  151   1HA   GLY  24          HA2       GLY  24 -11.584  -1.777  -6.062
  152   2HA   GLY  24          HA1       GLY  24 -11.258  -1.048  -7.636
  153    H    ALA  25           H        ALA  25 -10.754   0.788  -4.717
  154    HA   ALA  25           HA       ALA  25  -7.958   1.211  -5.386
  155   1HB   ALA  25          HB1       ALA  25  -8.170   2.215  -2.878
  156   2HB   ALA  25          HB2       ALA  25  -9.874   2.185  -3.331
  157   3HB   ALA  25          HB3       ALA  25  -8.718   3.089  -4.308
  158    H    GLN  26           H        GLN  26  -6.133   0.323  -4.361
  159    HA   GLN  26           HA       GLN  26  -6.590  -2.194  -2.924
  160   1HB   GLN  26          HB2       GLN  26  -4.413  -0.938  -4.394
  161   2HB   GLN  26          HB1       GLN  26  -3.852  -1.624  -2.869
  162   1HG   GLN  26          HG2       GLN  26  -3.712  -3.477  -4.275
  163   2HG   GLN  26          HG1       GLN  26  -5.324  -3.683  -3.587
  164   1HE2  GLN  26          1HE2      GLN  26  -4.055  -4.307  -6.390
  165   2HE2  GLN  26          2HE2      GLN  26  -5.200  -3.678  -7.472
  166    H    CYS  27           H        CYS  27  -5.872   1.103  -2.162
  167    HA   CYS  27           HA       CYS  27  -5.914   0.434   0.711
  168   1HB   CYS  27          HB2       CYS  27  -3.876   1.964   1.045
  169   2HB   CYS  27          HB1       CYS  27  -3.557   0.349   0.412
  170    H    GLY  28           H        GLY  28  -6.976   2.021   1.846
  171   1HA   GLY  28          HA2       GLY  28  -7.901   4.361   0.288
  172   2HA   GLY  28          HA1       GLY  28  -8.581   3.811   1.817
  173    H    GLU  29           H        GLU  29  -5.724   3.565   2.887
  174    HA   GLU  29           HA       GLU  29  -4.663   6.268   2.887
  175   1HB   GLU  29          HB2       GLU  29  -6.734   6.514   4.281
  176   2HB   GLU  29          HB1       GLU  29  -6.069   5.331   5.403
  177   1HG   GLU  29          HG2       GLU  29  -4.051   7.288   4.908
  178   2HG   GLU  29          HG1       GLU  29  -5.547   8.140   5.279
  179    H    GLY  30           H        GLY  30  -2.670   6.391   4.092
  180   1HA   GLY  30          HA2       GLY  30  -1.575   4.654   5.936
  181   2HA   GLY  30          HA1       GLY  30  -1.335   3.816   4.401
  182    H    LEU  31           H        LEU  31   1.036   4.231   5.100
  183    HA   LEU  31           HA       LEU  31   1.879   7.010   4.455
  184   1HB   LEU  31          HB2       LEU  31   4.196   5.865   5.166
  185   2HB   LEU  31          HB1       LEU  31   3.088   6.577   6.338
  186    HG   LEU  31           HG       LEU  31   2.025   4.324   6.600
  187   1HD1  LEU  31          1HD1      LEU  31   2.486   2.828   4.973
  188   2HD1  LEU  31          2HD1      LEU  31   4.064   2.636   5.712
  189   3HD1  LEU  31          3HD1      LEU  31   3.850   3.776   4.395
  190   1HD2  LEU  31          1HD2      LEU  31   3.923   5.291   8.031
  191   2HD2  LEU  31          2HD2      LEU  31   4.988   4.215   7.139
  192   3HD2  LEU  31          3HD2      LEU  31   3.683   3.549   8.114
  193    H    CYS  32           H        CYS  32   1.972   3.737   3.305
  194    HA   CYS  32           HA       CYS  32   3.624   4.668   0.995
  195   1HB   CYS  32          HB2       CYS  32   3.359   1.913   2.219
  196   2HB   CYS  32          HB1       CYS  32   4.174   2.229   0.686
  197    H    CYS  33           H        CYS  33   1.023   5.323   0.839
  198    HA   CYS  33           HA       CYS  33  -0.007   3.420  -1.211
  199   1HB   CYS  33          HB2       CYS  33  -1.362   2.916   0.715
  200   2HB   CYS  33          HB1       CYS  33  -1.572   4.624   1.091
  201    H    GLU  34           H        GLU  34   0.130   4.654  -3.041
  202    HA   GLU  34           HA       GLU  34  -0.702   7.518  -2.847
  203   1HB   GLU  34          HB2       GLU  34   1.109   6.144  -4.858
  204   2HB   GLU  34          HB1       GLU  34   0.638   7.842  -4.921
  205   1HG   GLU  34          HG2       GLU  34   1.595   8.084  -2.584
  206   2HG   GLU  34          HG1       GLU  34   2.265   6.464  -2.773
  207    H    GLN  35           H        GLN  35  -2.407   8.182  -4.114
  208    HA   GLN  35           HA       GLN  35  -4.258   7.997  -5.535
  209   1HB   GLN  35          HB2       GLN  35  -2.176   6.305  -6.875
  210   2HB   GLN  35          HB1       GLN  35  -3.835   6.239  -7.474
  211   1HG   GLN  35          HG2       GLN  35  -3.691   8.301  -8.399
  212   2HG   GLN  35          HG1       GLN  35  -2.926   8.976  -6.961
  213   1HE2  GLN  35          1HE2      GLN  35  -2.174   6.967  -9.849
  214   2HE2  GLN  35          2HE2      GLN  35  -0.548   7.448  -9.945
  215    H    CYS  36           H        CYS  36  -3.961   6.309  -3.139
  216    HA   CYS  36           HA       CYS  36  -5.147   4.590  -2.088
  217   1HB   CYS  36          HB2       CYS  36  -6.769   5.003  -4.591
  218   2HB   CYS  36          HB1       CYS  36  -7.150   3.698  -3.478
  219    H    LYS  37           H        LYS  37  -2.937   4.105  -4.211
  220    HA   LYS  37           HA       LYS  37  -3.572   1.210  -4.630
  221   1HB   LYS  37          HB2       LYS  37  -1.768   3.027  -6.256
  222   2HB   LYS  37          HB1       LYS  37  -1.993   1.301  -6.543
  223   1HG   LYS  37          HG2       LYS  37  -4.501   2.845  -6.347
  224   2HG   LYS  37          HG1       LYS  37  -3.488   3.262  -7.731
  225   1HD   LYS  37          HD2       LYS  37  -3.303   0.617  -7.950
  226   2HD   LYS  37          HD1       LYS  37  -4.837   0.673  -7.081
  227   1HE   LYS  37          HE2       LYS  37  -4.953   2.677  -9.090
  228   2HE   LYS  37          HE1       LYS  37  -4.340   1.211  -9.859
  229   1HZ   LYS  37          HZ1       LYS  37  -6.675   1.127  -8.055
  230   2HZ   LYS  37          HZ2       LYS  37  -6.212   0.011  -9.251
  231   3HZ   LYS  37          HZ3       LYS  37  -6.854   1.520  -9.696
  232    H    PHE  38           H        PHE  38  -2.174  -0.238  -3.720
  233    HA   PHE  38           HA       PHE  38  -0.363   0.433  -1.702
  234   1HB   PHE  38          HB2       PHE  38  -0.552  -1.939  -3.547
  235   2HB   PHE  38          HB1       PHE  38   0.752  -1.831  -2.368
  236    HD1  PHE  38           HD1      PHE  38  -0.602  -0.476  -0.103
  237    HD2  PHE  38           HD2      PHE  38  -1.975  -3.616  -2.695
  238    HE1  PHE  38           HE1      PHE  38  -2.137  -1.275   1.673
  239    HE2  PHE  38           HE2      PHE  38  -3.508  -4.413  -0.918
  240    HZ   PHE  38           HZ       PHE  38  -3.590  -3.242   1.267
  241    H    SER  39           H        SER  39   1.518   1.580  -1.805
  242    HA   SER  39           HA       SER  39   2.778   2.344  -4.247
  243   1HB   SER  39          HB2       SER  39   4.135   2.133  -1.544
  244   2HB   SER  39          HB1       SER  39   4.577   3.191  -2.879
  245    HG   SER  39           HG       SER  39   3.336   4.248  -1.245
  246    H    ARG  40           H        ARG  40   5.557   1.664  -3.584
  247    HA   ARG  40           HA       ARG  40   5.454  -1.257  -4.225
  248   1HB   ARG  40          HB2       ARG  40   7.457  -0.940  -5.594
  249   2HB   ARG  40          HB1       ARG  40   6.199   0.169  -6.137
  250   1HG   ARG  40          HG2       ARG  40   7.290   1.847  -4.462
  251   2HG   ARG  40          HG1       ARG  40   8.686   0.773  -4.552
  252   1HD   ARG  40          HD2       ARG  40   9.229   2.090  -6.341
  253   2HD   ARG  40          HD1       ARG  40   8.120   1.013  -7.189
  254    HE   ARG  40           HE       ARG  40   6.478   2.760  -7.192
  255   1HH1  ARG  40          1HH1      ARG  40   7.175   3.744  -4.375
  256   2HH1  ARG  40          2HH1      ARG  40   7.763   5.335  -4.721
  257   1HH2  ARG  40          1HH2      ARG  40   8.173   4.733  -8.112
  258   2HH2  ARG  40          2HH2      ARG  40   8.328   5.895  -6.838
  259    H    ALA  41           H        ALA  41   7.055  -2.570  -3.230
  260    HA   ALA  41           HA       ALA  41   7.816  -1.925  -0.591
  261   1HB   ALA  41          HB1       ALA  41   9.734  -3.707  -1.875
  262   2HB   ALA  41          HB2       ALA  41   8.073  -4.137  -2.282
  263   3HB   ALA  41          HB3       ALA  41   8.573  -4.053  -0.593
  264    H    GLY  42           H        GLY  42  10.297  -1.878   0.082
  265   1HA   GLY  42          HA2       GLY  42  12.343  -0.694  -0.033
  266   2HA   GLY  42          HA1       GLY  42  12.083  -0.539  -1.767
  267    H    LYS  43           H        LYS  43   9.576   0.417   0.453
  268    HA   LYS  43           HA       LYS  43   9.991   3.233  -0.445
  269   1HB   LYS  43          HB2       LYS  43   7.791   2.408  -0.950
  270   2HB   LYS  43          HB1       LYS  43   7.586   1.788   0.688
  271   1HG   LYS  43          HG2       LYS  43   6.414   3.983   0.257
  272   2HG   LYS  43          HG1       LYS  43   7.551   4.020   1.603
  273   1HD   LYS  43          HD2       LYS  43   9.269   5.012   0.158
  274   2HD   LYS  43          HD1       LYS  43   8.171   4.937  -1.219
  275   1HE   LYS  43          HE2       LYS  43   7.240   6.333   1.257
  276   2HE   LYS  43          HE1       LYS  43   8.395   7.161   0.215
  277   1HZ   LYS  43          HZ1       LYS  43   5.757   7.206  -0.159
  278   2HZ   LYS  43          HZ2       LYS  43   6.174   5.886  -1.143
  279   3HZ   LYS  43          HZ3       LYS  43   6.886   7.406  -1.409
  280    H    ILE  44           H        ILE  44  11.313   4.253   1.006
  281    HA   ILE  44           HA       ILE  44  11.625   3.672   3.744
  282    HB   ILE  44           HB       ILE  44  13.163   5.174   2.622
  283   1HG1  ILE  44          2HG1      ILE  44  13.010   7.186   4.193
  284   2HG1  ILE  44          1HG1      ILE  44  11.522   6.470   4.811
  285   1HG2  ILE  44          1HG2      ILE  44  11.253   6.113   1.154
  286   2HG2  ILE  44          2HG2      ILE  44  12.531   7.227   1.636
  287   3HG2  ILE  44          3HG2      ILE  44  10.979   7.249   2.474
  288   1HD1  ILE  44          1HD1      ILE  44  14.206   5.061   4.739
  289   2HD1  ILE  44          2HD1      ILE  44  12.717   4.442   5.451
  290   3HD1  ILE  44          3HD1      ILE  44  13.522   5.839   6.166
  291    H    CYS  45           H        CYS  45  10.001   3.592   5.207
  292    HA   CYS  45           HA       CYS  45   7.735   5.526   4.939
  293   1HB   CYS  45          HB2       CYS  45   6.752   3.987   6.780
  294   2HB   CYS  45          HB1       CYS  45   6.794   3.413   5.118
  295    H    ARG  46           H        ARG  46  10.512   4.855   6.879
  296    HA   ARG  46           HA       ARG  46   9.910   7.194   8.541
  297   1HB   ARG  46          HB2       ARG  46  10.369   4.563   9.962
  298   2HB   ARG  46          HB1       ARG  46   9.879   6.104  10.664
  299   1HG   ARG  46          HG2       ARG  46   7.734   5.975   9.438
  300   2HG   ARG  46          HG1       ARG  46   8.221   4.420   8.763
  301   1HD   ARG  46          HD2       ARG  46   6.907   3.821  10.623
  302   2HD   ARG  46          HD1       ARG  46   8.559   3.688  11.225
  303    HE   ARG  46           HE       ARG  46   7.832   5.247  12.831
  304   1HH1  ARG  46          1HH1      ARG  46   8.377   7.529  11.075
  305   2HH1  ARG  46          2HH1      ARG  46   6.842   8.324  10.964
  306   1HH2  ARG  46          1HH2      ARG  46   5.046   5.590  12.112
  307   2HH2  ARG  46          2HH2      ARG  46   4.957   7.227  11.555
  308    H    ILE  47           H        ILE  47  11.765   7.798   9.883
  309    HA   ILE  47           HA       ILE  47  14.302   6.455   9.073
  310    HB   ILE  47           HB       ILE  47  13.803   8.646   7.839
  311   1HG1  ILE  47          2HG1      ILE  47  16.297   8.676   9.557
  312   2HG1  ILE  47          1HG1      ILE  47  16.087   7.587   8.185
  313   1HG2  ILE  47          1HG2      ILE  47  14.742  10.065  10.290
  314   2HG2  ILE  47          2HG2      ILE  47  13.042   9.602  10.223
  315   3HG2  ILE  47          3HG2      ILE  47  13.721  10.648   8.976
  316   1HD1  ILE  47          1HD1      ILE  47  17.289   9.803   7.709
  317   2HD1  ILE  47          2HD1      ILE  47  15.717  10.572   7.924
  318   3HD1  ILE  47          3HD1      ILE  47  15.950   9.387   6.640
  319    HA   PRO  48           HA       PRO  48  14.668   6.560  13.516
  320   1HB   PRO  48          HB2       PRO  48  17.052   5.196  13.618
  321   2HB   PRO  48          HB1       PRO  48  15.481   4.408  13.392
  322   1HG   PRO  48          HG2       PRO  48  17.634   4.916  11.390
  323   2HG   PRO  48          HG1       PRO  48  16.400   3.644  11.413
  324   1HD   PRO  48          HD2       PRO  48  16.328   5.987   9.830
  325   2HD   PRO  48          HD1       PRO  48  14.963   4.888  10.130
  326    H    ARG  49           H        ARG  49  18.006   6.590  12.327
  327    HA   ARG  49           HA       ARG  49  18.416   9.423  12.640
  328   1HB   ARG  49          HB2       ARG  49  18.117   8.930  15.013
  329   2HB   ARG  49          HB1       ARG  49  19.316   7.638  14.917
  330   1HG   ARG  49          HG2       ARG  49  20.736   9.287  15.620
  331   2HG   ARG  49          HG1       ARG  49  20.766   9.691  13.905
  332   1HD   ARG  49          HD2       ARG  49  19.420  11.543  14.176
  333   2HD   ARG  49          HD1       ARG  49  18.561  10.848  15.552
  334    HE   ARG  49           HE       ARG  49  21.298  11.346  16.264
  335   1HH1  ARG  49          1HH1      ARG  49  18.466  13.054  15.307
  336   2HH1  ARG  49          2HH1      ARG  49  18.707  14.350  16.432
  337   1HH2  ARG  49          1HH2      ARG  49  21.543  12.952  17.851
  338   2HH2  ARG  49          2HH2      ARG  49  20.446  14.291  17.872
  339    H    GLY  50           H        GLY  50  19.754   6.188  12.531
  340   1HA   GLY  50          HA2       GLY  50  21.429   6.232  10.466
  341   2HA   GLY  50          HA1       GLY  50  22.361   7.227  11.586
  342    H    ASP  51           H        ASP  51  23.349   4.751  10.654
  343    HA   ASP  51           HA       ASP  51  24.291   2.763  11.477
  344   1HB   ASP  51          HB2       ASP  51  24.170   4.619  13.684
  345   2HB   ASP  51          HB1       ASP  51  23.872   2.983  14.271
  346    H    MET  52           H        MET  52  21.230   3.254  11.209
  347    HA   MET  52           HA       MET  52  20.462   0.682  12.509
  348   1HB   MET  52          HB2       MET  52  19.117   3.365  12.714
  349   2HB   MET  52          HB1       MET  52  18.143   1.899  12.791
  350   1HG   MET  52          HG2       MET  52  20.520   2.520  14.569
  351   2HG   MET  52          HG1       MET  52  18.829   2.631  15.051
  352   1HE   MET  52          HE1       MET  52  21.818  -0.257  14.441
  353   2HE   MET  52          HE2       MET  52  21.386  -0.377  16.144
  354   3HE   MET  52          HE3       MET  52  21.683   1.205  15.427
  355    HA   PRO  53           HA       PRO  53  18.616  -0.217   8.635
  356   1HB   PRO  53          HB2       PRO  53  16.410  -1.672   9.403
  357   2HB   PRO  53          HB1       PRO  53  18.069  -2.296   9.457
  358   1HG   PRO  53          HG2       PRO  53  16.332  -1.385  11.707
  359   2HG   PRO  53          HG1       PRO  53  17.655  -2.564  11.715
  360   1HD   PRO  53          HD2       PRO  53  17.822   0.099  12.630
  361   2HD   PRO  53          HD1       PRO  53  19.200  -0.969  12.288
  362    H    ASP  54           H        ASP  54  17.574   1.258   7.366
  363    HA   ASP  54           HA       ASP  54  15.670   3.155   8.369
  364   1HB   ASP  54          HB2       ASP  54  16.279   2.301   5.522
  365   2HB   ASP  54          HB1       ASP  54  15.310   3.706   5.963
  366    H    ASP  55           H        ASP  55  13.407   3.230   8.119
  367    HA   ASP  55           HA       ASP  55  12.035   0.686   8.087
  368   1HB   ASP  55          HB2       ASP  55  11.409   3.162   9.038
  369   2HB   ASP  55          HB1       ASP  55  10.463   3.140   7.553
  370    H    ARG  56           H        ARG  56  10.622  -0.111   6.399
  371    HA   ARG  56           HA       ARG  56  10.574   1.297   3.810
  372   1HB   ARG  56          HB2       ARG  56  12.786  -0.032   4.079
  373   2HB   ARG  56          HB1       ARG  56  11.773  -1.458   3.870
  374   1HG   ARG  56          HG2       ARG  56  11.843  -1.130   1.658
  375   2HG   ARG  56          HG1       ARG  56  10.972   0.385   1.891
  376   1HD   ARG  56          HD2       ARG  56  12.842   1.332   0.997
  377   2HD   ARG  56          HD1       ARG  56  13.498   1.124   2.621
  378    HE   ARG  56           HE       ARG  56  13.952  -1.292   1.213
  379   1HH1  ARG  56          1HH2      ARG  56  16.103   0.280   2.575
  380   2HH1  ARG  56          2HH2      ARG  56  17.096   0.770   1.244
  381   1HH2  ARG  56          1HH1      ARG  56  14.678   0.100  -1.148
  382   2HH2  ARG  56          2HH1      ARG  56  16.287   0.671  -0.865
  383    H    CYS  57           H        CYS  57   8.556   0.954   3.047
  384    HA   CYS  57           HA       CYS  57   6.837  -1.103   4.136
  385   1HB   CYS  57          HB2       CYS  57   6.492   0.622   1.664
  386   2HB   CYS  57          HB1       CYS  57   5.227  -0.346   2.418
  387    H    THR  58           H        THR  58   5.994  -2.931   2.988
  388    HA   THR  58           HA       THR  58   7.973  -4.240   1.292
  389    HB   THR  58           HB       THR  58   6.473  -6.167   1.408
  390    HG1  THR  58           HG1      THR  58   4.439  -5.969   2.074
  391   1HG2  THR  58          1HG2      THR  58   6.094  -5.306   4.166
  392   2HG2  THR  58          2HG2      THR  58   7.707  -4.913   3.570
  393   3HG2  THR  58          3HG2      THR  58   7.132  -6.579   3.524
  394    H    GLY  59           H        GLY  59   5.632  -2.006   0.622
  395   1HA   GLY  59          HA2       GLY  59   5.175  -1.280  -1.638
  396   2HA   GLY  59          HA1       GLY  59   5.538  -2.914  -2.199
  397    H    GLN  60           H        GLN  60   3.940  -4.547  -0.824
  398    HA   GLN  60           HA       GLN  60   1.282  -3.867  -1.818
  399   1HB   GLN  60          HB2       GLN  60   2.332  -6.232  -0.241
  400   2HB   GLN  60          HB1       GLN  60   0.665  -6.094  -0.802
  401   1HG   GLN  60          HG2       GLN  60   2.216  -5.497  -3.055
  402   2HG   GLN  60          HG1       GLN  60   3.044  -6.856  -2.293
  403   1HE2  GLN  60          1HE2      GLN  60   1.592  -8.790  -1.740
  404   2HE2  GLN  60          2HE2      GLN  60   0.280  -9.116  -2.764
  405    H    SER  61           H        SER  61   2.979  -3.256   1.058
  406    HA   SER  61           HA       SER  61   0.526  -3.223   2.724
  407   1HB   SER  61          HB2       SER  61   3.286  -2.333   3.567
  408   2HB   SER  61          HB1       SER  61   1.962  -2.889   4.586
  409    HG   SER  61           HG       SER  61   2.377  -4.919   4.044
  410    H    ALA  62           H        ALA  62  -0.692  -1.402   2.834
  411    HA   ALA  62           HA       ALA  62   0.148   1.089   1.615
  412   1HB   ALA  62          HB1       ALA  62  -1.945   1.936   2.960
  413   2HB   ALA  62          HB2       ALA  62  -2.212   0.222   3.274
  414   3HB   ALA  62          HB3       ALA  62  -2.185   0.820   1.616
  415    H    ASP  63           H        ASP  63  -0.217  -0.027   4.975
  416    HA   ASP  63           HA       ASP  63   0.966   2.476   5.998
  417   1HB   ASP  63          HB2       ASP  63   0.151  -0.070   7.443
  418   2HB   ASP  63          HB1       ASP  63   0.635   1.439   8.217
  419    H    CYS  64           H        CYS  64   2.809   2.007   7.749
  420    HA   CYS  64           HA       CYS  64   4.792   0.299   6.337
  421   1HB   CYS  64          HB2       CYS  64   5.546   2.574   6.569
  422   2HB   CYS  64          HB1       CYS  64   5.206   2.570   8.288
  423    HA   PRO  65           HA       PRO  65   4.331  -2.486   9.722
  424   1HB   PRO  65          HB2       PRO  65   5.994  -4.369   8.636
  425   2HB   PRO  65          HB1       PRO  65   4.306  -4.177   8.161
  426   1HG   PRO  65          HG2       PRO  65   6.785  -3.445   6.693
  427   2HG   PRO  65          HG1       PRO  65   5.168  -3.792   6.060
  428   1HD   PRO  65          HD2       PRO  65   6.317  -1.226   6.396
  429   2HD   PRO  65          HD1       PRO  65   4.615  -1.578   6.038
  430    H    ARG  66           H        ARG  66   6.262  -4.042  10.754
  431    HA   ARG  66           HA       ARG  66   8.589  -2.230  11.261
  432   1HB   ARG  66          HB2       ARG  66   6.606  -3.205  13.110
  433   2HB   ARG  66          HB1       ARG  66   8.183  -3.873  13.536
  434   1HG   ARG  66          HG2       ARG  66   9.169  -1.661  13.608
  435   2HG   ARG  66          HG1       ARG  66   7.682  -0.934  12.999
  436   1HD   ARG  66          HD2       ARG  66   7.071  -0.660  15.154
  437   2HD   ARG  66          HD1       ARG  66   6.851  -2.408  15.216
  438    HE   ARG  66           HE       ARG  66   9.467  -1.126  15.905
  439   1HH1  ARG  66          1HH1      ARG  66   6.856  -2.046  17.611
  440   2HH1  ARG  66          2HH1      ARG  66   7.593  -3.357  18.469
  441   1HH2  ARG  66          1HH2      ARG  66  10.451  -3.383  16.505
  442   2HH2  ARG  66          2HH2      ARG  66   9.630  -4.114  17.842
  443    H    TYR  67           H        TYR  67  10.571  -3.372  11.848
  444    HA   TYR  67           HA       TYR  67  10.823  -5.915  10.406
  445   1HB   TYR  67          HB2       TYR  67  12.778  -4.110  11.838
  446   2HB   TYR  67          HB1       TYR  67  13.256  -5.680  11.194
  447    HD1  TYR  67           HD2      TYR  67  11.750  -2.402  10.263
  448    HD2  TYR  67           HD1      TYR  67  13.673  -5.983   8.878
  449    HE1  TYR  67           HE2      TYR  67  11.970  -1.408   8.002
  450    HE2  TYR  67           HE1      TYR  67  13.895  -4.990   6.617
  451    HH   TYR  67           HH       TYR  67  12.358  -2.926   5.358
  452    H    HIS  68           H        HIS  68  11.119  -4.777  13.767
  453    HA   HIS  68           HA       HIS  68  11.282  -7.624  14.641
  454   1HB   HIS  68          HB2       HIS  68  11.868  -5.045  16.127
  455   2HB   HIS  68          HB1       HIS  68  11.978  -6.657  16.836
  456    HD1  HIS  68           HD1      HIS  68  14.464  -4.730  16.451
  457    HD2  HIS  68           HD2      HIS  68  13.414  -7.848  13.890
  458    HE1  HIS  68           HE1      HIS  68  16.575  -5.384  15.216