*HEADER    HYDROLASE                               16-APR-07   2PJG              
*TITLE     SOLUTION STRUCTURE OF RHODOSTOMIN D51E MUTANT                         
*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;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CALLOSELASMA RHODOSTOMA;                        
*SOURCE   3 ORGANISM_COMMON: MALAYAN PIT VIPER;                                  
*SOURCE   4 GENE: RHOD;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: FUNGI;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: 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, L.-J.CHOU                          
*REVDAT   1   08-MAY-07 2PJG    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 ) 3.50 1.50 1.50
assign ( resid 4 and name hn ) ( resid 5 and name hn ) 3.50 1.50 1.50
assign ( resid 5 and name hn ) ( resid 6 and name hn ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 16 and name hn ) ( resid 17 and name hn ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 25 and name hn ) ( resid 26 and name hn ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 32 and name hn ) ( resid 33 and name hn ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 36 and name hn ) ( resid 37 and name hn ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 46 and name hn ) ( resid 47 and name hn ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 59 and name hn ) ( resid 60 and name hn ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 67 and name hn ) ( resid 68 and name hn ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 8 and name hn ) ( resid 7 and name ha ) 3.50 1.50 1.50
assign ( resid 10 and name hn ) ( resid 9 and name ha ) 3.50 1.50 1.50
assign ( resid 11 and name hn ) ( resid 10 and name ha ) 3.50 1.50 1.50 
assign ( resid 13 and name hn ) ( resid 12 and name ha ) 3.50 1.50 1.50
assign ( resid 14 and name hn ) ( resid 13 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 20 and name hn ) ( resid 19 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 33 and name hn ) ( resid 32 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 37 and name hn ) ( resid 36 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 47 and name hn ) ( resid 46 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 62 and name hn ) ( resid 61 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 25 and name hn ) ( resid 24 and name ha2 ) 3.50 1.50 1.50
assign ( resid 29 and name hn ) ( resid 28 and name ha2 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 25 and name hn ) ( resid 24 and name ha1 ) 3.50 1.50 1.50
assign ( resid 29 and name hn ) ( resid 28 and name ha1 ) 3.50 1.50 1.50
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* ) 3.40 1.60 2.60
assign ( resid 51 and name hn ) ( resid 50 and name ha* ) 2.80 1.00 1.00
assign ( resid 43 and name hn ) ( resid 42 and name ha1 ) 3.50 1.50 1.50

# 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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 38 and name hn ) ( resid 26 and name hg1 ) 3.50 1.50 1.50
assign ( resid 58 and name hn ) ( resid 65 and name hg* ) 4.10 1.80 2.90
assign ( resid 13 and name hn ) ( resid 25 and name hb* ) 4.10 1.80 2.90
assign ( resid 27 and name hn ) ( resid 21 and name hg ) 3.50 1.50 1.50
assign ( resid 28 and name hn ) ( resid 21 and name hg ) 4.20 1.80 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 hd2* ) 3.40 1.60 2.60
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* ) 3.40 1.60 2.60
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* ) 4.10 1.80 4.30
assign ( resid 54 and name hn ) ( resid 44 and name hd* ) 4.10 1.80 2.90
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* ) 2.30 0.50 5.10
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 38 and name hn ) ( resid 26 and name hb2 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 43 and name hn ) ( resid 57 and name hb2 ) 3.50 1.50 1.50
assign ( resid 45 and name hn ) ( resid 56 and name hb* ) 3.40 1.60 2.60
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 ) 3.50 1.50 1.50
assign ( resid 5 and name hn ) ( resid 19 and name hb1 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 20 and name hn ) ( resid 5 and name hb* ) 4.10 1.80 2.90
assign ( resid 20 and name hn ) ( resid 14 and name hb* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
assign ( resid 27 and name hn ) ( resid 37 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
assign ( resid 43 and name hn ) ( resid 57 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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* ) 2.80 1.00 1.00
assign ( resid 4 and name ha ) ( resid 19 and name ha ) 3.50 1.50 1.50
assign ( resid 4 and name ha ) ( resid 19 and name hb1 ) 2.80 1.00 1.00
assign ( resid 4 and name ha ) ( resid 19 and name hb2 ) 3.50 1.50 1.50
assign ( resid 4 and name ha ) ( resid 20 and name hb1 ) 4.10 1.80 2.90
assign ( resid 4 and name ha ) ( resid 20 and name hb2 ) 3.50 1.50 1.50
assign ( resid 4 and name ha ) ( resid 20 and name hg* ) 3.50 1.50 1.50
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 ) 2.80 1.00 1.00
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* ) 2.30 0.50 2.90
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* ) 4.10 1.80 2.90
assign ( resid 6 and name ha ) ( resid 29 and name hb1 ) 3.50 1.50 1.50
assign ( resid 6 and name hb2 ) ( resid 21 and name hd2* ) 4.10 1.80 2.90
assign ( resid 9 and name ha ) ( resid 16 and name ha ) 3.50 1.50 1.50
assign ( resid 9 and name ha ) ( resid 14 and name hb* ) 4.10 1.80 2.90
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* ) 3.40 1.60 2.60
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* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 14 and name ha ) ( resid 21 and name hb* ) 3.40 1.60 2.60
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* ) 3.40 1.60 2.60
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* ) 4.10 1.80 2.90
assign ( resid 16 and name ha ) ( resid 9 and name hb1 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 4.20 1.80 1.80
assign ( resid 20 and name ha ) ( resid 5 and name hb* ) 2.80 1.00 1.00
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* ) 3.50 1.50 1.50
assign ( resid 25 and name ha ) ( resid 36 and name hb1 ) 3.50 1.50 1.50
assign ( resid 25 and name ha ) ( resid 36 and name hb2 ) 3.50 1.50 1.50
assign ( resid 25 and name ha ) ( resid 37 and name he* ) 2.30 0.50 4.70
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* ) 3.40 1.60 2.60
assign ( resid 27 and name ha ) ( resid 21 and name hd1* ) 2.80 1.00 1.00
assign ( resid 27 and name ha ) ( resid 21 and name hd2* ) 2.80 1.00 1.00
assign ( resid 27 and name hb1 ) ( resid 33 and name hb2 ) 3.50 1.50 1.50
assign ( resid 27 and name hb1 ) ( resid 62 and name hb* ) 2.80 1.00 1.00
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* ) 2.80 1.00 1.00
assign ( resid 27 and name hb2 ) ( resid 21 and name hd1* ) 3.40 1.60 2.60
assign ( resid 27 and name hb2 ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
assign ( resid 28 and name ha1 ) ( resid 13 and name hb2 ) 3.50 1.50 1.50
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* ) 3.40 1.60 2.60
assign ( resid 28 and name ha2 ) ( resid 13 and name hb1 ) 3.50 1.50 1.50
assign ( resid 28 and name ha2 ) ( resid 5 and name hb* ) 4.10 1.80 2.90
assign ( resid 28 and name ha2 ) ( resid 13 and name hb2 ) 3.50 1.50 1.50
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* ) 2.80 1.00 1.00
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 ) 3.50 1.50 1.50
assign ( resid 32 and name ha ) ( resid 39 and name hb1 ) 3.50 1.50 1.50
assign ( resid 32 and name ha ) ( resid 39 and name hb2 ) 3.50 1.50 1.50
assign ( resid 32 and name ha ) ( resid 43 and name he* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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* ) 2.80 1.00 1.00
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* ) 2.80 1.00 1.00
assign ( resid 37 and name ha ) ( resid 26 and name ha ) 3.40 1.60 2.60
assign ( resid 37 and name ha ) ( resid 26 and name hb1 ) 3.50 1.50 1.50
assign ( resid 37 and name ha ) ( resid 26 and name hb2 ) 3.50 1.50 1.50
assign ( resid 38 and name ha ) ( resid 33 and name ha ) 3.50 1.50 1.50
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* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
assign ( resid 39 and name hb2 ) ( resid 57 and name hb2 ) 3.50 1.50 1.50
assign ( resid 39 and name hb2 ) ( resid 32 and name hb2 ) 3.50 1.50 1.50
assign ( resid 40 and name ha ) ( resid 59 and name ha1 ) 3.50 1.50 1.50
assign ( resid 41 and name ha ) ( resid 57 and name hb2 ) 3.50 1.50 1.50
assign ( resid 42 and name ha1 ) ( resid 56 and name hd1 ) 3.50 1.50 1.50
assign ( resid 42 and name ha1 ) ( resid 56 and name hd2 ) 3.50 1.50 1.50
assign ( resid 42 and name ha2 ) ( resid 56 and name hb1 ) 3.50 1.50 1.50
assign ( resid 42 and name ha2 ) ( resid 56 and name hb2 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 45 and name ha ) ( resid 64 and name hb2 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 45 and name ha ) ( resid 31 and name hb2 ) 3.50 1.50 1.50
assign ( resid 45 and name ha ) ( resid 31 and name hd* ) 2.30 0.50 5.10
assign ( resid 45 and name hb1 ) ( resid 64 and name hb2 ) 3.50 1.50 1.50
assign ( resid 45 and name hb1 ) ( resid 31 and name hd* ) 2.30 0.50 5.10
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* ) 4.10 1.80 4.30
assign ( resid 46 and name hd2 ) ( resid 55 and name hb1 ) 3.50 1.50 1.50
assign ( resid 46 and name hd2 ) ( resid 31 and name hd* ) 4.10 1.80 4.30
assign ( resid 54 and name ha ) ( resid 48 and name hd1 ) 3.50 1.50 1.50
assign ( resid 54 and name ha ) ( resid 48 and name hd2 ) 3.50 1.50 1.50
assign ( resid 54 and name ha ) ( resid 48 and name hb* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
assign ( resid 54 and name hb1 ) ( resid 44 and name hd* ) 2.80 1.00 1.00
assign ( resid 55 and name ha ) ( resid 44 and name hd* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
assign ( resid 57 and name ha ) ( resid 65 and name hd1 ) 3.50 1.50 1.50
assign ( resid 57 and name ha ) ( resid 65 and name hd2 ) 3.50 1.50 1.50
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* ) 4.10 1.80 2.90
assign ( resid 57 and name hb1 ) ( resid 43 and name hg1 ) 3.50 1.50 1.50
assign ( resid 57 and name hb1 ) ( resid 41 and name hb* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
assign ( resid 57 and name hb2 ) ( resid 43 and name hg2 ) 3.50 1.50 1.50
assign ( resid 57 and name hb2 ) ( resid 41 and name hb* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
assign ( resid 59 and name ha1 ) ( resid 41 and name hb* ) 2.80 1.00 1.00
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 ) 3.50 1.50 1.50
assign ( resid 62 and name ha ) ( resid 32 and name hb1 ) 3.50 1.50 1.50
assign ( resid 62 and name ha ) ( resid 32 and name hb2 ) 3.50 1.50 1.50
assign ( resid 63 and name ha ) ( resid 31 and name hg ) 3.50 1.50 1.50
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* ) 4.10 1.80 4.30
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* ) 4.10 1.80 2.90
assign ( resid 64 and name ha ) ( resid 31 and name hd* ) 2.30 0.50 5.10
assign ( resid 64 and name ha ) ( resid 57 and name ha ) 3.50 1.50 1.50
assign ( resid 64 and name hb2 ) ( resid 31 and name hg ) 3.50 1.50 1.50
assign ( resid 64 and name hb2 ) ( resid 31 and name hb1 ) 3.50 1.50 1.50
assign ( resid 64 and name hb2 ) ( resid 31 and name hb2 ) 3.50 1.50 1.50
assign ( resid 64 and name hb2 ) ( resid 31 and name hd* ) 3.40 1.60 2.60
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* ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 26 and name ha ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 26 and name hg1 ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 26 and name hg2 ) 2.30 0.50 5.10
assign ( resid 38 and name hd* ) ( resid 26 and name hb1 ) 2.30 0.50 5.10
assign ( resid 38 and name hd* ) ( resid 26 and name hb2 ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 26 and name hn ) 4.10 1.80 4.30
assign ( resid 38 and name he* ) ( resid 26 and name he21 ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 26 and name hg2 ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 26 and name hb1 ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 26 and name hb2 ) 2.30 0.50 5.10
assign ( resid 38 and name hd* ) ( resid 27 and name hn ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 27 and name ha ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 27 and name hb1 ) 2.30 0.50 5.10
assign ( resid 38 and name hd* ) ( resid 27 and name hb2 ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 27 and name hn ) 4.10 1.80 4.30
assign ( resid 38 and name he* ) ( resid 27 and name hb1 ) 3.40 1.60 2.60
assign ( resid 38 and name hd* ) ( resid 33 and name ha ) 2.30 0.50 5.10
assign ( resid 38 and name hd* ) ( resid 33 and name hb2 ) 4.10 1.80 4.30
assign ( resid 38 and name he* ) ( resid 33 and name hb2 ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 60 and name hn ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 60 and name ha ) 3.40 1.60 2.60
assign ( resid 38 and name he* ) ( resid 60 and name hn ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 61 and name hn ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 61 and name hb2 ) 4.10 1.80 4.30
assign ( resid 38 and name he* ) ( resid 61 and name ha ) 4.10 1.80 4.30
assign ( resid 38 and name he* ) ( resid 61 and name hb2 ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 62 and name hn ) 2.30 0.50 5.10
assign ( resid 38 and name hd* ) ( resid 62 and name ha ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 62 and name hn ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 62 and name ha ) 2.30 0.50 5.10
assign ( resid 67 and name hd* ) ( resid 53 and name hd2 ) 4.10 1.80 4.30
assign ( resid 67 and name hd* ) ( resid 53 and name hb2 ) 4.10 1.80 4.30
assign ( resid 67 and name he* ) ( resid 53 and name hb2 ) 4.10 1.80 4.30
assign ( resid 67 and name hd* ) ( resid 56 and name hn ) 4.10 1.80 4.30
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 4.10 1.80 2.90



#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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 45 and name hn ) ( resid 44 and name hg2* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 4 and name hn ) ( resid 2 and name hg* ) 4.10 1.80 2.90
assign ( resid 15 and name hn ) ( resid 18 and name hg2* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
assign ( resid 30 and name hn ) ( resid 29 and name hg* ) 4.10 1.80 2.90
assign ( resid 36 and name hn ) ( resid 35 and name hg* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
assign ( resid 59 and name hn ) ( resid 58 and name hg2* ) 4.10 1.80 2.90
assign ( resid 60 and name hn ) ( resid 58 and name hg2* ) 4.10 1.80 2.90
assign ( resid 61 and name hn ) ( resid 58 and name hg2* ) 4.10 1.80 2.90
assign ( resid 66 and name hn ) ( resid 65 and name hg* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
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 22 and name hn ) ( resid 21 and name hd1* ) 3.40 1.60 2.60
assign ( resid 13 and name hn ) ( resid 12 and name hd1 ) 3.50 1.50 1.50
assign ( resid 13 and name hn ) ( resid 12 and name hd2 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 32 and name hn ) ( resid 31 and name hd* ) 4.10 1.80 4.30
assign ( resid 33 and name hn ) ( resid 31 and name hd* ) 4.10 1.80 4.30
assign ( resid 38 and name hn ) ( resid 37 and name hd* ) 4.10 1.80 2.90
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* ) 2.80 1.00 1.00
assign ( resid 50 and name hn ) ( resid 49 and name hd* ) 4.10 1.80 2.90
assign ( resid 4 and name hn ) ( resid 3 and name hb2 ) 3.50 1.50 1.50
assign ( resid 5 and name hn ) ( resid 4 and name hb2 ) 3.50 1.50 1.50
assign ( resid 6 and name hn ) ( resid 4 and name hb2 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 10 and name hn ) ( resid 11 and name hb2 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 15 and name hn ) ( resid 14 and name hb2 ) 3.50 1.50 1.50
assign ( resid 16 and name hn ) ( resid 15 and name hb2 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 30 and name hn ) ( resid 33 and name hb2 ) 3.50 1.50 1.50
assign ( resid 32 and name hn ) ( resid 31 and name hb2 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 39 and name hn ) ( resid 38 and name hb2 ) 3.50 1.50 1.50
assign ( resid 40 and name hn ) ( resid 39 and name hb2 ) 3.50 1.50 1.50
assign ( resid 56 and name hn ) ( resid 55 and name hb2 ) 3.50 1.50 1.50
assign ( resid 57 and name hn ) ( resid 56 and name hb2 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 63 and name hn ) ( resid 61 and name hb2 ) 3.50 1.50 1.50
assign ( resid 68 and name hn ) ( resid 66 and name hb2 ) 3.50 1.50 1.50
assign ( resid 68 and name hn ) ( resid 67 and name hb2 ) 3.50 1.50 1.50
assign ( resid 4 and name hn ) ( resid 3 and name hb1 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 8 and name hn ) ( resid 7 and name hb1 ) 3.50 1.50 1.50
assign ( resid 8 and name hn ) ( resid 11 and name hb1 ) 3.50 1.50 1.50
assign ( resid 10 and name hn ) ( resid 8 and name hb1 ) 3.50 1.50 1.50
assign ( resid 10 and name hn ) ( resid 11 and name hb1 ) 3.50 1.50 1.50
assign ( resid 11 and name hn ) ( resid 10 and name hb1 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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* ) 4.10 1.80 2.90
assign ( resid 14 and name hn ) ( resid 13 and name hb1 ) 3.50 1.50 1.50
assign ( resid 15 and name hn ) ( resid 14 and name hb1 ) 3.50 1.50 1.50
assign ( resid 16 and name hn ) ( resid 15 and name hb1 ) 3.50 1.50 1.50
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 ) 2.80 1.00 1.00
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 ) 3.50 1.50 1.50
assign ( resid 28 and name hn ) ( resid 27 and name hb1 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 39 and name hn ) ( resid 38 and name hb1 ) 3.50 1.50 1.50
assign ( resid 40 and name hn ) ( resid 39 and name hb1 ) 3.50 1.50 1.50
assign ( resid 41 and name hn ) ( resid 40 and name hb* ) 2.80 1.00 1.00
assign ( resid 55 and name hn ) ( resid 54 and name hb1 ) 3.50 1.50 1.50
assign ( resid 56 and name hn ) ( resid 55 and name hb1 ) 3.50 1.50 1.50
assign ( resid 57 and name hn ) ( resid 56 and name hb1 ) 3.50 1.50 1.50
assign ( resid 58 and name hn ) ( resid 57 and name hb1 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 63 and name hn ) ( resid 61 and name hb1 ) 3.50 1.50 1.50
assign ( resid 64 and name hn ) ( resid 63 and name hb1 ) 3.50 1.50 1.50
assign ( resid 67 and name hn ) ( resid 66 and name hb1 ) 3.50 1.50 1.50
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* ) 2.80 1.00 1.00
assign ( resid 22 and name hn ) ( resid 21 and name hb* ) 2.80 1.00 1.00
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* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
assign ( resid 45 and name hn ) ( resid 44 and name hb ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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* ) 4.10 1.80 2.90
assign ( resid 61 and name hn ) ( resid 58 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 14 and name hn ) ( resid 12 and name ha ) 3.50 1.50 1.50
assign ( resid 17 and name hn ) ( resid 15 and name ha ) 3.50 1.50 1.50
assign ( resid 19 and name hn ) ( resid 16 and name ha ) 3.50 1.50 1.50
assign ( resid 25 and name hn ) ( resid 23 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 43 and name hn ) ( resid 41 and name hb* ) 4.10 1.80 2.90
assign ( resid 46 and name hn ) ( resid 44 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
assign ( resid 63 and name hn ) ( resid 61 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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* ) 4.10 1.80 2.90
assign ( resid 8 and name hb2 ) ( resid 11 and name hb1 ) 3.50 1.50 1.50
assign ( resid 8 and name hb2 ) ( resid 11 and name hb2 ) 3.50 1.50 1.50
assign ( resid 8 and name hb2 ) ( resid 10 and name hb* ) 4.10 1.80 2.90
assign ( resid 9 and name ha ) ( resid 8 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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* ) 4.10 1.80 2.90
assign ( resid 19 and name ha ) ( resid 16 and name ha ) 3.50 1.50 1.50
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* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
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* ) 4.10 1.80 2.90
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* ) 2.30 0.50 5.10
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* ) 4.10 1.80 4.30
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* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
assign ( resid 39 and name hb1 ) ( resid 43 and name he* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
assign ( resid 45 and name ha ) ( resid 44 and name ha ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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* ) 4.10 1.80 2.90
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* ) 4.10 1.80 2.90
assign ( resid 49 and name ha ) ( resid 47 and name hg2* ) 4.10 1.80 2.90
assign ( resid 49 and name ha ) ( resid 47 and name hd* ) 4.10 1.80 2.90
assign ( resid 49 and name hd* ) ( resid 47 and name hg2* ) 4.10 1.80 3.90
assign ( resid 49 and name hd* ) ( resid 47 and name hd* ) 4.10 1.80 3.90
assign ( resid 52 and name ha ) ( resid 53 and name hd1 ) 3.50 1.50 1.50
assign ( resid 52 and name ha ) ( resid 53 and name hd2 ) 3.50 1.50 1.50
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 ) 3.50 1.50 1.50
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 hb* ) 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 ) 3.50 1.50 1.50
assign ( resid 53 and name hd2 ) ( resid 52 and name hb2 ) 3.50 1.50 1.50
assign ( resid 54 and name hb1 ) ( resid 56 and name hg* ) 4.10 1.80 2.90
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 ) 3.50 1.50 1.50
assign ( resid 64 and name ha ) ( resid 65 and name hg1 ) 3.50 1.50 1.50
assign ( resid 64 and name ha ) ( resid 65 and name hg2 ) 3.50 1.50 1.50
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 ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 37 and name ha ) 4.10 1.80 4.30
assign ( resid 67 and name hd* ) ( resid 66 and name ha ) 4.10 1.80 4.30
assign ( resid 67 and name hd* ) ( resid 67 and name hn ) 2.30 0.50 5.10
assign ( resid 67 and name hd* ) ( resid 68 and name hn ) 2.30 0.50 5.10
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

! intra-residue NOEs 

assign ( resid 4 and name hn ) ( resid 4 and name ha ) 3.50 1.50 1.50                     
assign ( resid 5 and name hn ) ( resid 5 and name ha ) 4.20 1.80 1.80                    
assign ( resid 6 and name hn ) ( resid 6 and name ha ) 3.50 1.50 1.50                    
assign ( resid 7 and name hn ) ( resid 7 and name ha ) 3.50 1.50 1.50                    
assign ( resid 8 and name hn ) ( resid 8 and name ha ) 3.50 1.50 1.50                    
assign ( resid 10 and name hn ) ( resid 10 and name ha ) 2.60 0.80 0.80                  
assign ( resid 11 and name hn ) ( resid 11 and name ha ) 3.50 1.50 1.50                  
assign ( resid 13 and name hn ) ( resid 13 and name ha ) 3.50 1.50 1.50                  
assign ( resid 14 and name hn ) ( resid 14 and name ha ) 3.50 1.50 1.50                  
assign ( resid 15 and name hn ) ( resid 15 and name ha ) 2.60 0.80 0.80                  
assign ( resid 16 and name hn ) ( resid 16 and name ha ) 2.60 0.80 0.80                  
assign ( resid 18 and name hn ) ( resid 18 and name ha ) 3.50 1.50 1.50                  
assign ( resid 19 and name hn ) ( resid 19 and name ha ) 3.50 1.50 1.50                  
assign ( resid 20 and name hn ) ( resid 20 and name ha ) 3.50 1.50 1.50                  
assign ( resid 21 and name hn ) ( resid 21 and name ha ) 3.50 1.50 1.50                  
assign ( resid 24 and name hn ) ( resid 24 and name ha1 ) 3.50 1.50 1.50                 
assign ( resid 24 and name hn ) ( resid 24 and name ha2 ) 3.50 1.50 1.50                 
assign ( resid 25 and name hn ) ( resid 25 and name ha ) 2.60 0.80 0.80                  
assign ( resid 27 and name hn ) ( resid 27 and name ha ) 3.50 1.50 1.50                  
assign ( resid 28 and name hn ) ( resid 28 and name ha1 ) 4.20 1.80 1.80                 
assign ( resid 28 and name hn ) ( resid 28 and name ha2 ) 4.20 1.80 1.80                 
assign ( resid 29 and name hn ) ( resid 29 and name ha ) 3.50 1.50 1.50                  
assign ( resid 30 and name hn ) ( resid 30 and name ha1 ) 3.50 1.50 1.50                 
assign ( resid 30 and name hn ) ( resid 30 and name ha2 ) 2.60 0.80 0.80                 
assign ( resid 31 and name hn ) ( resid 31 and name ha ) 3.50 1.50 1.50                  
assign ( resid 32 and name hn ) ( resid 32 and name ha ) 3.50 1.50 1.50                  
assign ( resid 33 and name hn ) ( resid 33 and name ha ) 3.50 1.50 1.50                  
assign ( resid 34 and name hn ) ( resid 34 and name ha ) 3.50 1.50 1.50                  
assign ( resid 35 and name hn ) ( resid 35 and name ha ) 2.60 0.80 0.80                  
assign ( resid 36 and name hn ) ( resid 36 and name ha ) 2.60 0.80 0.80                  
assign ( resid 37 and name hn ) ( resid 37 and name ha ) 3.50 1.50 1.50                  
assign ( resid 38 and name hn ) ( resid 38 and name ha ) 3.50 1.50 1.50                  
assign ( resid 39 and name hn ) ( resid 39 and name ha ) 3.50 1.50 1.50                  
assign ( resid 40 and name hn ) ( resid 40 and name ha ) 2.60 0.80 0.80                  
assign ( resid 41 and name hn ) ( resid 41 and name ha ) 3.50 1.50 1.50                  
assign ( resid 42 and name hn ) ( resid 42 and name ha1 ) 3.50 1.50 1.50                 
assign ( resid 42 and name hn ) ( resid 42 and name ha2 ) 3.50 1.50 1.50                 
assign ( resid 43 and name hn ) ( resid 43 and name ha ) 2.60 0.80 0.80                  
assign ( resid 45 and name hn ) ( resid 45 and name ha ) 3.50 1.50 1.50                  
assign ( resid 46 and name hn ) ( resid 46 and name ha ) 3.50 1.50 1.50                  
assign ( resid 47 and name hn ) ( resid 47 and name ha ) 3.50 1.50 1.50                  
assign ( resid 49 and name hn ) ( resid 49 and name ha ) 2.60 0.80 0.80                     
assign ( resid 51 and name hn ) ( resid 51 and name ha ) 2.60 0.80 0.80                  
assign ( resid 52 and name hn ) ( resid 52 and name ha ) 3.50 1.50 1.50                  
assign ( resid 54 and name hn ) ( resid 54 and name ha ) 3.50 1.50 1.50                  
assign ( resid 55 and name hn ) ( resid 55 and name ha ) 3.50 1.50 1.50                  
assign ( resid 56 and name hn ) ( resid 56 and name ha ) 4.20 1.80 1.80                  
assign ( resid 57 and name hn ) ( resid 57 and name ha ) 3.50 1.50 1.50                  
assign ( resid 58 and name hn ) ( resid 58 and name ha ) 3.50 1.50 1.50                  
assign ( resid 59 and name hn ) ( resid 59 and name ha1 ) 4.20 1.80 1.80                 
assign ( resid 59 and name hn ) ( resid 59 and name ha2 ) 4.20 1.80 1.80                 
assign ( resid 60 and name hn ) ( resid 60 and name ha ) 3.50 1.50 1.50                  
assign ( resid 61 and name hn ) ( resid 61 and name ha ) 3.50 1.50 1.50                  
assign ( resid 62 and name hn ) ( resid 62 and name ha ) 3.50 1.50 1.50                  
assign ( resid 63 and name hn ) ( resid 63 and name ha ) 3.50 1.50 1.50                  
assign ( resid 64 and name hn ) ( resid 64 and name ha ) 3.50 1.50 1.50                  
assign ( resid 66 and name hn ) ( resid 66 and name ha ) 3.50 1.50 1.50                  
assign ( resid 67 and name hn ) ( resid 67 and name ha ) 2.60 0.80 0.80                  
assign ( resid 68 and name hn ) ( resid 68 and name ha ) 3.50 1.50 1.50                  
assign ( resid 3 and name ha ) ( resid 3 and name hb2 ) 2.60 0.80 0.80                   
assign ( resid 4 and name ha ) ( resid 4 and name hb1 ) 4.20 1.80 1.80                   
assign ( resid 4 and name ha ) ( resid 4 and name hb2 ) 3.50 1.50 1.50                   
assign ( resid 5 and name ha ) ( resid 5 and name hb* ) 3.50 1.50 1.50                   
assign ( resid 6 and name ha ) ( resid 6 and name hb1 ) 3.50 1.50 1.50                   
assign ( resid 6 and name ha ) ( resid 6 and name hb2 ) 3.50 1.50 1.50                   
assign ( resid 7 and name ha ) ( resid 7 and name hb1 ) 2.60 0.80 0.80                   
assign ( resid 7 and name ha ) ( resid 7 and name hb2 ) 2.60 0.80 0.80                   
assign ( resid 8 and name ha ) ( resid 8 and name hb1 ) 2.60 0.80 0.80                   
assign ( resid 8 and name ha ) ( resid 8 and name hb2 ) 3.50 1.50 1.50                   
assign ( resid 9 and name ha ) ( resid 9 and name hb1 ) 2.60 0.80 0.80                   
assign ( resid 9 and name ha ) ( resid 9 and name hb2 ) 3.50 1.50 1.50                   
assign ( resid 10 and name ha ) ( resid 10 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 10 and name ha ) ( resid 10 and name hb2 ) 2.60 0.80 0.80                 
assign ( resid 12 and name ha ) ( resid 12 and name hb* ) 3.50 1.50 1.50                 
assign ( resid 13 and name ha ) ( resid 13 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 13 and name ha ) ( resid 13 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 15 and name ha ) ( resid 15 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 15 and name ha ) ( resid 15 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 16 and name ha ) ( resid 16 and name hb* ) 3.50 1.50 1.50                 
assign ( resid 18 and name ha ) ( resid 18 and name hb ) 2.60 0.80 0.80                  
assign ( resid 19 and name ha ) ( resid 19 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 19 and name ha ) ( resid 19 and name hb2 ) 2.60 0.80 0.80                 
assign ( resid 20 and name ha ) ( resid 20 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 20 and name ha ) ( resid 20 and name hb2 ) 4.20 1.80 1.80                 
assign ( resid 21 and name ha ) ( resid 21 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 21 and name ha ) ( resid 21 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 23 and name ha ) ( resid 23 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 23 and name ha ) ( resid 23 and name hb2 ) 2.60 0.80 0.80                 
assign ( resid 25 and name ha ) ( resid 25 and name hb* ) 2.60 0.80 0.80                 
assign ( resid 26 and name ha ) ( resid 26 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 26 and name ha ) ( resid 26 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 27 and name ha ) ( resid 27 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 27 and name ha ) ( resid 27 and name hb2 ) 2.60 0.80 0.80                 
assign ( resid 29 and name ha ) ( resid 29 and name hb* ) 3.50 1.50 1.50                 
assign ( resid 31 and name ha ) ( resid 31 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 31 and name ha ) ( resid 31 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 33 and name ha ) ( resid 33 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 33 and name ha ) ( resid 33 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 34 and name ha ) ( resid 34 and name hb* ) 2.60 0.80 0.80                 
assign ( resid 36 and name ha ) ( resid 36 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 36 and name ha ) ( resid 36 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 37 and name ha ) ( resid 37 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 37 and name ha ) ( resid 37 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 38 and name ha ) ( resid 38 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 38 and name ha ) ( resid 38 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 39 and name ha ) ( resid 39 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 39 and name ha ) ( resid 39 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 40 and name ha ) ( resid 40 and name hb* ) 2.60 0.80 0.80                 
assign ( resid 41 and name ha ) ( resid 41 and name hb* ) 2.60 0.80 0.80                 
assign ( resid 43 and name ha ) ( resid 43 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 43 and name ha ) ( resid 43 and name hb2 ) 2.60 0.80 0.80                 
assign ( resid 44 and name ha ) ( resid 44 and name hb ) 3.50 1.50 1.50                  
assign ( resid 45 and name ha ) ( resid 45 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 45 and name ha ) ( resid 45 and name hb2 ) 2.60 0.80 0.80                 
assign ( resid 46 and name ha ) ( resid 46 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 46 and name ha ) ( resid 46 and name hb2 ) 2.60 0.80 0.80                 
assign ( resid 47 and name ha ) ( resid 47 and name hb ) 3.50 1.50 1.50                  
assign ( resid 48 and name ha ) ( resid 48 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 48 and name ha ) ( resid 48 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 49 and name ha ) ( resid 49 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 49 and name ha ) ( resid 49 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 51 and name ha ) ( resid 51 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 51 and name ha ) ( resid 51 and name hb2 ) 2.60 0.80 0.80                 
assign ( resid 52 and name ha ) ( resid 52 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 54 and name ha ) ( resid 54 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 54 and name ha ) ( resid 54 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 55 and name ha ) ( resid 55 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 55 and name ha ) ( resid 55 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 56 and name ha ) ( resid 56 and name hb* ) 3.50 1.50 1.50                 
assign ( resid 57 and name ha ) ( resid 57 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 57 and name ha ) ( resid 57 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 61 and name ha ) ( resid 61 and name hb2 ) 2.60 0.80 0.80                 
assign ( resid 62 and name ha ) ( resid 62 and name hb* ) 2.60 0.80 0.80                 
assign ( resid 63 and name ha ) ( resid 63 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 63 and name ha ) ( resid 63 and name hb2 ) 2.60 0.80 0.80                 
assign ( resid 64 and name ha ) ( resid 64 and name hb1 ) 3.50 1.50 1.50                 
assign ( resid 64 and name ha ) ( resid 64 and name hb2 ) 3.50 1.50 1.50                 
assign ( resid 65 and name ha ) ( resid 65 and name hb1 ) 2.60 0.80 0.80                 
assign ( resid 65 and name ha ) ( resid 65 and name hb2 ) 2.60 0.80 0.80                 
assign ( resid 67 and name ha ) ( resid 67 and name hb* ) 2.60 0.80 0.80                 
                                                                                         
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          HT1       GLY   1  -8.091  -9.671   6.528
    2   2H    GLY   1          HT2       GLY   1  -8.817  -8.512   5.519
    3   3H    GLY   1          HT3       GLY   1  -7.503  -9.429   4.956
    4   1HA   GLY   1          HA1       GLY   1  -8.768 -11.160   4.386
    5   2HA   GLY   1          HA2       GLY   1  -9.716 -11.030   5.868
    6    H    LYS   2           H        LYS   2 -11.801 -10.980   5.077
    7    HA   LYS   2           HA       LYS   2 -12.424  -8.809   3.112
    8   1HB   LYS   2          HB2       LYS   2 -12.688 -11.309   2.392
    9   2HB   LYS   2          HB1       LYS   2 -14.122 -11.278   3.420
   10   1HG   LYS   2          HG2       LYS   2 -14.031  -8.919   1.740
   11   2HG   LYS   2          HG1       LYS   2 -13.936 -10.381   0.759
   12   1HD   LYS   2          HD2       LYS   2 -15.876 -11.107   2.516
   13   2HD   LYS   2          HD1       LYS   2 -16.165  -9.370   2.427
   14   1HE   LYS   2          HE2       LYS   2 -16.181 -11.377   0.169
   15   2HE   LYS   2          HE1       LYS   2 -17.480 -10.298   0.676
   16   1HZ   LYS   2          HZ1       LYS   2 -16.482  -9.379  -1.255
   17   2HZ   LYS   2          HZ2       LYS   2 -14.918  -9.545  -0.615
   18   3HZ   LYS   2          HZ3       LYS   2 -15.999  -8.419   0.057
   19    H    GLU   3           H        GLU   3 -12.418  -8.890   6.139
   20    HA   GLU   3           HA       GLU   3 -15.324  -8.330   6.573
   21   1HB   GLU   3          HB2       GLU   3 -14.577  -8.543   9.062
   22   2HB   GLU   3          HB1       GLU   3 -14.755 -10.017   8.111
   23   1HG   GLU   3          HG2       GLU   3 -12.400 -10.197   7.766
   24   2HG   GLU   3          HG1       GLU   3 -12.119  -8.555   8.345
   25    H    CYS   4           H        CYS   4 -12.196  -6.938   6.425
   26    HA   CYS   4           HA       CYS   4 -13.321  -4.311   7.019
   27   1HB   CYS   4          HB2       CYS   4 -12.838  -4.966   9.293
   28   2HB   CYS   4          HB1       CYS   4 -11.238  -5.548   8.835
   29    H    ASP   5           H        ASP   5 -12.608  -3.786   4.903
   30    HA   ASP   5           HA       ASP   5  -9.718  -4.064   4.307
   31   1HB   ASP   5          HB2       ASP   5 -12.131  -3.947   2.746
   32   2HB   ASP   5          HB1       ASP   5 -11.066  -2.629   2.254
   33    H    CYS   6           H        CYS   6 -11.040  -2.142   6.300
   34    HA   CYS   6           HA       CYS   6  -9.387   0.179   5.598
   35   1HB   CYS   6          HB2       CYS   6 -11.334   0.861   4.403
   36   2HB   CYS   6          HB1       CYS   6 -12.409   0.288   5.677
   37    H    SER   7           H        SER   7  -8.564   0.985   7.494
   38    HA   SER   7           HA       SER   7  -9.784   0.002  10.024
   39   1HB   SER   7          HB2       SER   7  -7.206  -0.108   9.253
   40   2HB   SER   7          HB1       SER   7  -7.194   1.467  10.040
   41    HG   SER   7           HG       SER   7  -8.290   0.331  11.824
   42    H    SER   8           H        SER   8  -9.660   2.799   8.110
   43    HA   SER   8           HA       SER   8  -9.699   4.731  10.301
   44   1HB   SER   8          HB2       SER   8  -9.934   4.819   7.339
   45   2HB   SER   8          HB1       SER   8 -10.710   6.127   8.229
   46    HG   SER   8           HG       SER   8  -8.774   6.666   9.120
   47    HA   PRO   9           HA       PRO   9 -14.055   3.831  10.950
   48   1HB   PRO   9          HB2       PRO   9 -14.202   5.174  13.344
   49   2HB   PRO   9          HB1       PRO   9 -13.574   3.525  13.186
   50   1HG   PRO   9          HG2       PRO   9 -12.080   6.066  13.631
   51   2HG   PRO   9          HG1       PRO   9 -11.631   4.410  14.068
   52   1HD   PRO   9          HD2       PRO   9 -10.640   5.876  11.853
   53   2HD   PRO   9          HD1       PRO   9 -10.445   4.132  12.130
   54    H    GLU  10           H        GLU  10 -12.504   6.651  10.119
   55    HA   GLU  10           HA       GLU  10 -15.071   8.188  10.134
   56   1HB   GLU  10          HB2       GLU  10 -13.012   8.975  11.601
   57   2HB   GLU  10          HB1       GLU  10 -12.415   9.576  10.054
   58   1HG   GLU  10          HG2       GLU  10 -15.072  10.374  10.056
   59   2HG   GLU  10          HG1       GLU  10 -14.580  10.606  11.734
   60    H    ASN  11           H        ASN  11 -12.981   6.541   8.210
   61    HA   ASN  11           HA       ASN  11 -12.645   8.400   6.018
   62   1HB   ASN  11          HB2       ASN  11 -11.688   5.855   6.669
   63   2HB   ASN  11          HB1       ASN  11 -12.673   5.597   5.231
   64   1HD2  ASN  11          1HD2      ASN  11 -10.130   5.177   4.621
   65   2HD2  ASN  11          2HD2      ASN  11  -9.388   6.511   3.879
   66    HA   PRO  12           HA       PRO  12 -16.817   7.956   4.538
   67   1HB   PRO  12          HB2       PRO  12 -16.497   9.566   2.334
   68   2HB   PRO  12          HB1       PRO  12 -16.714  10.189   3.979
   69   1HG   PRO  12          HG2       PRO  12 -14.239  10.090   2.324
   70   2HG   PRO  12          HG1       PRO  12 -14.659  11.187   3.648
   71   1HD   PRO  12          HD2       PRO  12 -12.928   8.944   3.819
   72   2HD   PRO  12          HD1       PRO  12 -13.582   9.875   5.185
   73    H    CYS  13           H        CYS  13 -14.048   6.637   3.209
   74    HA   CYS  13           HA       CYS  13 -15.404   5.677   0.747
   75   1HB   CYS  13          HB2       CYS  13 -12.613   6.084   1.591
   76   2HB   CYS  13          HB1       CYS  13 -12.888   4.571   0.730
   77    H    CYS  14           H        CYS  14 -14.869   4.721   3.951
   78    HA   CYS  14           HA       CYS  14 -15.536   1.915   3.204
   79   1HB   CYS  14          HB2       CYS  14 -14.006   1.089   4.968
   80   2HB   CYS  14          HB1       CYS  14 -13.136   1.955   3.704
   81    H    ASP  15           H        ASP  15 -17.162   1.073   4.421
   82    HA   ASP  15           HA       ASP  15 -18.498   2.793   6.356
   83   1HB   ASP  15          HB2       ASP  15 -19.504   1.004   4.700
   84   2HB   ASP  15          HB1       ASP  15 -19.157  -0.116   6.017
   85    H    ALA  16           H        ALA  16 -18.373   2.668   8.567
   86    HA   ALA  16           HA       ALA  16 -16.227   1.092   9.742
   87   1HB   ALA  16          HB1       ALA  16 -16.572   2.356  11.657
   88   2HB   ALA  16          HB2       ALA  16 -18.317   2.436  11.415
   89   3HB   ALA  16          HB3       ALA  16 -17.244   3.444  10.442
   90    H    ALA  17           H        ALA  17 -19.793   1.029   9.921
   91    HA   ALA  17           HA       ALA  17 -20.135  -1.028  11.789
   92   1HB   ALA  17          HB1       ALA  17 -21.733  -0.789   9.226
   93   2HB   ALA  17          HB2       ALA  17 -21.958   0.284  10.607
   94   3HB   ALA  17          HB3       ALA  17 -22.278  -1.443  10.770
   95    H    THR  18           H        THR  18 -18.953  -1.206   8.507
   96    HA   THR  18           HA       THR  18 -18.789  -4.182   8.782
   97    HB   THR  18           HB       THR  18 -19.039  -4.396   6.452
   98    HG1  THR  18           HG1      THR  18 -19.038  -2.028   5.417
   99   1HG2  THR  18          1HG2      THR  18 -21.093  -3.342   5.975
  100   2HG2  THR  18          2HG2      THR  18 -20.665  -1.898   6.893
  101   3HG2  THR  18          3HG2      THR  18 -21.055  -3.396   7.738
  102    H    CYS  19           H        CYS  19 -17.041  -1.242   8.522
  103    HA   CYS  19           HA       CYS  19 -14.726  -0.836   8.557
  104   1HB   CYS  19          HB2       CYS  19 -14.989  -3.083  10.006
  105   2HB   CYS  19          HB1       CYS  19 -14.093  -3.751   8.644
  106    H    LYS  20           H        LYS  20 -16.353  -1.884   6.094
  107    HA   LYS  20           HA       LYS  20 -13.941  -2.492   4.425
  108   1HB   LYS  20          HB2       LYS  20 -16.794  -3.301   3.808
  109   2HB   LYS  20          HB1       LYS  20 -15.330  -3.823   2.976
  110   1HG   LYS  20          HG2       LYS  20 -14.578  -4.741   5.273
  111   2HG   LYS  20          HG1       LYS  20 -16.267  -4.554   5.749
  112   1HD   LYS  20          HD2       LYS  20 -15.798  -5.899   3.146
  113   2HD   LYS  20          HD1       LYS  20 -15.305  -6.800   4.580
  114   1HE   LYS  20          HE2       LYS  20 -17.518  -7.445   4.489
  115   2HE   LYS  20          HE1       LYS  20 -17.692  -5.980   5.455
  116   1HZ   LYS  20          HZ1       LYS  20 -17.708  -5.143   2.836
  117   2HZ   LYS  20          HZ2       LYS  20 -19.044  -5.241   3.881
  118   3HZ   LYS  20          HZ3       LYS  20 -18.673  -6.538   2.848
  119    H    LEU  21           H        LEU  21 -14.998  -2.131   1.926
  120    HA   LEU  21           HA       LEU  21 -15.166   0.784   1.771
  121   1HB   LEU  21          HB2       LEU  21 -15.040  -1.466  -0.221
  122   2HB   LEU  21          HB1       LEU  21 -15.492   0.154  -0.752
  123    HG   LEU  21           HG       LEU  21 -13.322   0.741   0.767
  124   1HD1  LEU  21          1HD1      LEU  21 -13.245  -2.094   0.385
  125   2HD1  LEU  21          2HD1      LEU  21 -12.044  -1.066   1.167
  126   3HD1  LEU  21          3HD1      LEU  21 -11.944  -1.377  -0.566
  127   1HD2  LEU  21          1HD2      LEU  21 -12.480   1.445  -1.232
  128   2HD2  LEU  21          2HD2      LEU  21 -14.035   0.912  -1.872
  129   3HD2  LEU  21          3HD2      LEU  21 -12.631  -0.152  -1.965
  130    H    ARG  22           H        ARG  22 -17.034   1.939   1.660
  131    HA   ARG  22           HA       ARG  22 -19.584   0.479   1.600
  132   1HB   ARG  22          HB2       ARG  22 -19.676   2.168   3.195
  133   2HB   ARG  22          HB1       ARG  22 -18.757   3.300   2.210
  134   1HG   ARG  22          HG2       ARG  22 -20.673   3.573   0.697
  135   2HG   ARG  22          HG1       ARG  22 -21.591   2.385   1.624
  136   1HD   ARG  22          HD2       ARG  22 -20.564   4.372   3.426
  137   2HD   ARG  22          HD1       ARG  22 -21.396   5.181   2.098
  138    HE   ARG  22           HE       ARG  22 -22.672   3.099   3.825
  139   1HH1  ARG  22          1HH1      ARG  22 -22.753   6.343   3.184
  140   2HH1  ARG  22          2HH1      ARG  22 -24.432   6.420   2.760
  141   1HH2  ARG  22          1HH2      ARG  22 -24.841   2.978   2.668
  142   2HH2  ARG  22          2HH2      ARG  22 -25.612   4.515   2.468
  143    HA   PRO  23           HA       PRO  23 -20.017   3.049  -2.402
  144   1HB   PRO  23          HB2       PRO  23 -17.775   4.321  -3.354
  145   2HB   PRO  23          HB1       PRO  23 -18.932   5.076  -2.244
  146   1HG   PRO  23          HG2       PRO  23 -16.193   4.056  -1.685
  147   2HG   PRO  23          HG1       PRO  23 -17.128   5.287  -0.823
  148   1HD   PRO  23          HD2       PRO  23 -16.750   2.586  -0.024
  149   2HD   PRO  23          HD1       PRO  23 -17.872   3.755   0.700
  150    H    GLY  24           H        GLY  24 -18.468   3.108  -4.719
  151   1HA   GLY  24          HA2       GLY  24 -17.862   0.232  -5.065
  152   2HA   GLY  24          HA1       GLY  24 -18.068   1.406  -6.365
  153    H    ALA  25           H        ALA  25 -16.075   2.298  -3.678
  154    HA   ALA  25           HA       ALA  25 -13.770   2.692  -5.370
  155   1HB   ALA  25          HB1       ALA  25 -13.462   4.101  -3.614
  156   2HB   ALA  25          HB2       ALA  25 -12.799   2.696  -2.780
  157   3HB   ALA  25          HB3       ALA  25 -14.492   3.138  -2.554
  158    H    GLN  26           H        GLN  26 -11.778   1.492  -5.344
  159    HA   GLN  26           HA       GLN  26 -12.170  -1.372  -4.759
  160   1HB   GLN  26          HB2       GLN  26 -10.653   0.136  -6.643
  161   2HB   GLN  26          HB1       GLN  26  -9.512  -0.778  -5.657
  162   1HG   GLN  26          HG2       GLN  26 -10.052  -2.664  -6.752
  163   2HG   GLN  26          HG1       GLN  26 -11.737  -2.476  -6.266
  164   1HE2  GLN  26          1HE2      GLN  26 -12.778  -0.458  -7.654
  165   2HE2  GLN  26          2HE2      GLN  26 -12.529  -0.600  -9.327
  166    H    CYS  27           H        CYS  27 -11.131   1.278  -3.034
  167    HA   CYS  27           HA       CYS  27 -10.020  -0.364  -0.930
  168   1HB   CYS  27          HB2       CYS  27  -7.885  -0.415  -1.690
  169   2HB   CYS  27          HB1       CYS  27  -8.218   0.779  -2.935
  170    H    GLY  28           H        GLY  28 -10.012   0.781   1.025
  171   1HA   GLY  28          HA2       GLY  28 -11.284   3.447   0.909
  172   2HA   GLY  28          HA1       GLY  28 -11.132   2.445   2.349
  173    H    GLU  29           H        GLU  29  -8.250   1.947   1.516
  174    HA   GLU  29           HA       GLU  29  -6.920   4.511   1.638
  175   1HB   GLU  29          HB2       GLU  29  -6.053   4.313   3.917
  176   2HB   GLU  29          HB1       GLU  29  -7.811   4.361   3.950
  177   1HG   GLU  29          HG2       GLU  29  -7.675   2.477   5.195
  178   2HG   GLU  29          HG1       GLU  29  -7.286   1.663   3.680
  179    H    GLY  30           H        GLY  30  -4.540   4.203   1.737
  180   1HA   GLY  30          HA2       GLY  30  -3.093   1.878   2.007
  181   2HA   GLY  30          HA1       GLY  30  -3.774   1.728   0.388
  182    H    LEU  31           H        LEU  31  -1.008   1.917   0.804
  183    HA   LEU  31           HA       LEU  31  -0.058   4.632   0.492
  184   1HB   LEU  31          HB2       LEU  31   1.188   1.916   0.036
  185   2HB   LEU  31          HB1       LEU  31   2.064   3.414  -0.273
  186    HG   LEU  31           HG       LEU  31   2.572   2.672   1.984
  187   1HD1  LEU  31          1HD1      LEU  31   1.642   5.175   1.315
  188   2HD1  LEU  31          2HD1      LEU  31   2.408   4.761   2.849
  189   3HD1  LEU  31          3HD1      LEU  31   0.649   4.774   2.717
  190   1HD2  LEU  31          1HD2      LEU  31   0.882   2.224   3.626
  191   2HD2  LEU  31          2HD2      LEU  31   0.410   1.333   2.179
  192   3HD2  LEU  31          3HD2      LEU  31  -0.392   2.852   2.581
  193    H    CYS  32           H        CYS  32  -1.185   2.146  -1.707
  194    HA   CYS  32           HA       CYS  32  -0.504   3.959  -3.988
  195   1HB   CYS  32          HB2       CYS  32  -1.114   1.050  -4.398
  196   2HB   CYS  32          HB1       CYS  32  -0.090   2.120  -5.354
  197    H    CYS  33           H        CYS  33  -2.840   4.383  -2.472
  198    HA   CYS  33           HA       CYS  33  -4.985   3.298  -4.248
  199   1HB   CYS  33          HB2       CYS  33  -4.967   4.227  -1.383
  200   2HB   CYS  33          HB1       CYS  33  -6.469   4.216  -2.306
  201    H    GLU  34           H        GLU  34  -5.429   4.761  -5.839
  202    HA   GLU  34           HA       GLU  34  -5.158   7.658  -5.235
  203   1HB   GLU  34          HB2       GLU  34  -5.597   7.850  -7.754
  204   2HB   GLU  34          HB1       GLU  34  -4.087   7.068  -7.283
  205   1HG   GLU  34          HG2       GLU  34  -4.929   4.904  -7.748
  206   2HG   GLU  34          HG1       GLU  34  -6.599   5.469  -7.775
  207    H    GLN  35           H        GLN  35  -7.024   8.271  -4.161
  208    HA   GLN  35           HA       GLN  35  -9.278   8.925  -3.999
  209   1HB   GLN  35          HB2       GLN  35  -8.782   8.796  -6.762
  210   2HB   GLN  35          HB1       GLN  35 -10.260   7.864  -6.518
  211   1HG   GLN  35          HG2       GLN  35 -11.407   9.689  -5.582
  212   2HG   GLN  35          HG1       GLN  35  -9.916  10.551  -5.200
  213   1HE2  GLN  35          1HE2      GLN  35 -12.393  11.160  -7.034
  214   2HE2  GLN  35          2HE2      GLN  35 -11.674  11.684  -8.479
  215    H    CYS  36           H        CYS  36  -8.426   6.433  -2.984
  216    HA   CYS  36           HA       CYS  36  -9.384   4.485  -2.096
  217   1HB   CYS  36          HB2       CYS  36 -11.934   5.453  -3.423
  218   2HB   CYS  36          HB1       CYS  36 -11.806   4.260  -2.132
  219    H    LYS  37           H        LYS  37  -8.492   4.889  -5.062
  220    HA   LYS  37           HA       LYS  37  -9.694   2.339  -6.070
  221   1HB   LYS  37          HB2       LYS  37  -9.148   4.932  -7.379
  222   2HB   LYS  37          HB1       LYS  37  -8.630   3.519  -8.298
  223   1HG   LYS  37          HG2       LYS  37 -10.806   2.630  -8.399
  224   2HG   LYS  37          HG1       LYS  37 -11.370   3.617  -7.049
  225   1HD   LYS  37          HD2       LYS  37 -10.856   5.644  -8.568
  226   2HD   LYS  37          HD1       LYS  37 -10.802   4.473  -9.886
  227   1HE   LYS  37          HE2       LYS  37 -13.061   3.959  -9.708
  228   2HE   LYS  37          HE1       LYS  37 -13.139   4.426  -8.008
  229   1HZ   LYS  37          HZ1       LYS  37 -13.824   5.960 -10.205
  230   2HZ   LYS  37          HZ2       LYS  37 -12.390   6.640  -9.596
  231   3HZ   LYS  37          HZ3       LYS  37 -13.745   6.460  -8.587
  232    H    PHE  38           H        PHE  38  -8.209   0.909  -7.207
  233    HA   PHE  38           HA       PHE  38  -5.607   0.754  -5.975
  234   1HB   PHE  38          HB2       PHE  38  -6.959  -0.722  -8.227
  235   2HB   PHE  38          HB1       PHE  38  -5.260  -1.005  -7.861
  236    HD1  PHE  38           HD2      PHE  38  -7.240  -0.009  -5.015
  237    HD2  PHE  38           HD1      PHE  38  -6.051  -3.393  -7.383
  238    HE1  PHE  38           HE2      PHE  38  -7.887  -1.534  -3.170
  239    HE2  PHE  38           HE1      PHE  38  -6.700  -4.913  -5.536
  240    HZ   PHE  38           HZ       PHE  38  -7.617  -3.984  -3.429
  241    H    SER  39           H        SER  39  -3.993   2.171  -6.494
  242    HA   SER  39           HA       SER  39  -3.880   3.781  -8.815
  243   1HB   SER  39          HB2       SER  39  -1.411   3.954  -8.292
  244   2HB   SER  39          HB1       SER  39  -2.466   4.304  -6.925
  245    HG   SER  39           HG       SER  39  -1.329   1.760  -7.478
  246    H    ARG  40           H        ARG  40  -1.673   3.433 -10.287
  247    HA   ARG  40           HA       ARG  40  -2.079   0.722 -11.473
  248   1HB   ARG  40          HB2       ARG  40  -1.365   3.402 -12.620
  249   2HB   ARG  40          HB1       ARG  40  -0.813   1.946 -13.449
  250   1HG   ARG  40          HG2       ARG  40  -2.860   1.667 -14.335
  251   2HG   ARG  40          HG1       ARG  40  -3.551   1.564 -12.716
  252   1HD   ARG  40          HD2       ARG  40  -4.678   3.407 -13.623
  253   2HD   ARG  40          HD1       ARG  40  -3.357   4.170 -12.740
  254    HE   ARG  40           HE       ARG  40  -3.057   3.604 -15.654
  255   1HH1  ARG  40          1HH1      ARG  40  -1.737   5.295 -13.144
  256   2HH1  ARG  40          2HH1      ARG  40  -1.764   6.850 -13.907
  257   1HH2  ARG  40          1HH2      ARG  40  -3.711   5.797 -16.577
  258   2HH2  ARG  40          2HH2      ARG  40  -2.876   7.133 -15.855
  259    H    ALA  41           H        ALA  41  -0.169  -0.452 -12.170
  260    HA   ALA  41           HA       ALA  41   1.940  -0.594 -10.348
  261   1HB   ALA  41          HB1       ALA  41   3.080  -1.233 -12.853
  262   2HB   ALA  41          HB2       ALA  41   1.374  -1.660 -12.974
  263   3HB   ALA  41          HB3       ALA  41   2.367  -2.352 -11.691
  264    H    GLY  42           H        GLY  42   4.355  -0.095 -11.012
  265   1HA   GLY  42          HA2       GLY  42   5.963   1.556 -11.538
  266   2HA   GLY  42          HA1       GLY  42   4.782   2.263 -12.635
  267    H    LYS  43           H        LYS  43   3.902   1.642  -9.318
  268    HA   LYS  43           HA       LYS  43   3.810   4.603  -8.894
  269   1HB   LYS  43          HB2       LYS  43   1.629   3.553  -8.734
  270   2HB   LYS  43          HB1       LYS  43   2.248   2.350  -7.604
  271   1HG   LYS  43          HG2       LYS  43   1.038   4.146  -6.415
  272   2HG   LYS  43          HG1       LYS  43   2.744   4.126  -5.970
  273   1HD   LYS  43          HD2       LYS  43   3.090   6.188  -6.825
  274   2HD   LYS  43          HD1       LYS  43   2.228   5.796  -8.313
  275   1HE   LYS  43          HE2       LYS  43   0.795   7.389  -7.440
  276   2HE   LYS  43          HE1       LYS  43   0.110   5.938  -6.707
  277   1HZ   LYS  43          HZ1       LYS  43   2.283   7.086  -5.210
  278   2HZ   LYS  43          HZ2       LYS  43   0.753   6.568  -4.683
  279   3HZ   LYS  43          HZ3       LYS  43   0.945   8.118  -5.352
  280    H    ILE  44           H        ILE  44   5.515   5.307  -7.712
  281    HA   ILE  44           HA       ILE  44   7.059   3.571  -5.995
  282    HB   ILE  44           HB       ILE  44   7.662   5.853  -7.242
  283   1HG1  ILE  44          2HG1      ILE  44   9.219   4.326  -6.036
  284   2HG1  ILE  44          1HG1      ILE  44   9.626   6.026  -5.803
  285   1HG2  ILE  44          1HG2      ILE  44   7.166   6.842  -4.430
  286   2HG2  ILE  44          2HG2      ILE  44   6.009   7.098  -5.736
  287   3HG2  ILE  44          3HG2      ILE  44   7.630   7.783  -5.848
  288   1HD1  ILE  44          1HD1      ILE  44   8.720   4.033  -3.843
  289   2HD1  ILE  44          2HD1      ILE  44   7.863   5.571  -3.739
  290   3HD1  ILE  44          3HD1      ILE  44   9.620   5.528  -3.591
  291    H    CYS  45           H        CYS  45   6.505   2.965  -3.962
  292    HA   CYS  45           HA       CYS  45   4.525   4.665  -2.492
  293   1HB   CYS  45          HB2       CYS  45   4.159   2.459  -1.187
  294   2HB   CYS  45          HB1       CYS  45   3.493   2.580  -2.813
  295    H    ARG  46           H        ARG  46   7.719   3.378  -2.438
  296    HA   ARG  46           HA       ARG  46   8.131   4.644   0.215
  297   1HB   ARG  46          HB2       ARG  46   9.330   1.933  -0.337
  298   2HB   ARG  46          HB1       ARG  46   9.135   2.756   1.210
  299   1HG   ARG  46          HG2       ARG  46   6.772   1.910  -0.475
  300   2HG   ARG  46          HG1       ARG  46   7.492   0.851   0.738
  301   1HD   ARG  46          HD2       ARG  46   6.749   3.660   1.494
  302   2HD   ARG  46          HD1       ARG  46   5.491   2.427   1.408
  303    HE   ARG  46           HE       ARG  46   7.730   2.484   3.343
  304   1HH1  ARG  46          1HH1      ARG  46   7.331  -0.322   2.438
  305   2HH1  ARG  46          2HH1      ARG  46   6.111  -0.897   3.526
  306   1HH2  ARG  46          1HH2      ARG  46   5.152   2.275   4.545
  307   2HH2  ARG  46          2HH2      ARG  46   4.877   0.574   4.717
  308    H    ILE  47           H        ILE  47  10.235   5.475   0.472
  309    HA   ILE  47           HA       ILE  47  11.953   5.272  -1.966
  310    HB   ILE  47           HB       ILE  47  10.853   7.523  -1.413
  311   1HG1  ILE  47          2HG1      ILE  47  13.846   7.758  -1.359
  312   2HG1  ILE  47          1HG1      ILE  47  13.066   6.995  -2.745
  313   1HG2  ILE  47          1HG2      ILE  47  11.754   8.812   0.388
  314   2HG2  ILE  47          2HG2      ILE  47  13.028   7.630   0.688
  315   3HG2  ILE  47          3HG2      ILE  47  11.353   7.240   1.078
  316   1HD1  ILE  47          1HD1      ILE  47  13.058   9.828  -1.903
  317   2HD1  ILE  47          2HD1      ILE  47  11.495   9.202  -2.429
  318   3HD1  ILE  47          3HD1      ILE  47  12.885   9.132  -3.514
  319    HA   PRO  48           HA       PRO  48  14.914   3.621   0.919
  320   1HB   PRO  48          HB2       PRO  48  16.928   3.294  -0.920
  321   2HB   PRO  48          HB1       PRO  48  15.549   2.191  -0.781
  322   1HG   PRO  48          HG2       PRO  48  16.104   4.241  -2.868
  323   2HG   PRO  48          HG1       PRO  48  15.122   2.771  -2.973
  324   1HD   PRO  48          HD2       PRO  48  14.149   5.425  -2.653
  325   2HD   PRO  48          HD1       PRO  48  13.205   3.930  -2.499
  326    H    ARG  49           H        ARG  49  16.805   4.424   1.996
  327    HA   ARG  49           HA       ARG  49  17.865   7.028   0.982
  328   1HB   ARG  49          HB2       ARG  49  16.224   7.191   2.968
  329   2HB   ARG  49          HB1       ARG  49  17.503   6.439   3.922
  330   1HG   ARG  49          HG2       ARG  49  18.846   8.294   3.838
  331   2HG   ARG  49          HG1       ARG  49  18.321   8.726   2.211
  332   1HD   ARG  49          HD2       ARG  49  16.119   9.444   3.173
  333   2HD   ARG  49          HD1       ARG  49  16.776   9.153   4.783
  334    HE   ARG  49           HE       ARG  49  18.619  10.855   3.577
  335   1HH1  ARG  49          1HH1      ARG  49  15.537  10.870   5.019
  336   2HH1  ARG  49          2HH1      ARG  49  15.282  12.572   4.822
  337   1HH2  ARG  49          1HH2      ARG  49  18.171  13.059   2.967
  338   2HH2  ARG  49          2HH2      ARG  49  16.773  13.811   3.658
  339    H    GLY  50           H        GLY  50  19.890   6.391   0.334
  340   1HA   GLY  50          HA2       GLY  50  22.184   6.183   1.419
  341   2HA   GLY  50          HA1       GLY  50  21.507   4.808   2.293
  342    H    GLU  51           H        GLU  51  20.582   3.039   0.818
  343    HA   GLU  51           HA       GLU  51  21.557   2.886  -1.912
  344   1HB   GLU  51          HB2       GLU  51  22.958   0.728  -1.164
  345   2HB   GLU  51          HB1       GLU  51  23.690   2.331  -1.237
  346   1HG   GLU  51          HG2       GLU  51  23.821   2.525   1.038
  347   2HG   GLU  51          HG1       GLU  51  22.312   1.653   1.302
  348    H    MET  52           H        MET  52  19.101   2.507  -1.636
  349    HA   MET  52           HA       MET  52  18.671  -0.435  -1.544
  350   1HB   MET  52          HB2       MET  52  17.283   1.654   0.106
  351   2HB   MET  52          HB1       MET  52  16.363   0.253  -0.445
  352   1HG   MET  52          HG2       MET  52  18.894  -0.661   0.539
  353   2HG   MET  52          HG1       MET  52  18.177   0.403   1.749
  354   1HE   MET  52          HE1       MET  52  15.928   0.122   2.848
  355   2HE   MET  52          HE2       MET  52  14.713  -1.076   2.412
  356   3HE   MET  52          HE3       MET  52  15.152   0.183   1.260
  357    HA   PRO  53           HA       PRO  53  16.292   0.368  -5.141
  358   1HB   PRO  53          HB2       PRO  53  14.500  -1.716  -5.006
  359   2HB   PRO  53          HB1       PRO  53  16.201  -1.912  -5.463
  360   1HG   PRO  53          HG2       PRO  53  14.852  -2.623  -2.900
  361   2HG   PRO  53          HG1       PRO  53  16.296  -3.330  -3.641
  362   1HD   PRO  53          HD2       PRO  53  16.276  -1.484  -1.499
  363   2HD   PRO  53          HD1       PRO  53  17.692  -1.930  -2.476
  364    H    ASP  54           H        ASP  54  14.212   1.194  -5.841
  365    HA   ASP  54           HA       ASP  54  12.694   2.477  -3.711
  366   1HB   ASP  54          HB2       ASP  54  12.438   2.425  -6.722
  367   2HB   ASP  54          HB1       ASP  54  11.269   3.256  -5.695
  368    H    ASP  55           H        ASP  55  10.205   2.344  -3.851
  369    HA   ASP  55           HA       ASP  55   9.444  -0.534  -4.122
  370   1HB   ASP  55          HB2       ASP  55   9.401   0.819  -1.829
  371   2HB   ASP  55          HB1       ASP  55   7.845   1.362  -2.454
  372    H    ARG  56           H        ARG  56   8.424  -0.704  -6.058
  373    HA   ARG  56           HA       ARG  56   6.554   1.455  -6.918
  374   1HB   ARG  56          HB2       ARG  56   8.519   0.450  -8.349
  375   2HB   ARG  56          HB1       ARG  56   7.378  -0.865  -8.632
  376   1HG   ARG  56          HG2       ARG  56   6.484   0.403 -10.252
  377   2HG   ARG  56          HG1       ARG  56   5.859   1.444  -8.975
  378   1HD   ARG  56          HD2       ARG  56   7.214   2.669 -10.716
  379   2HD   ARG  56          HD1       ARG  56   7.819   2.856  -9.070
  380    HE   ARG  56           HE       ARG  56   9.012   0.807 -10.887
  381   1HH1  ARG  56          1HH2      ARG  56   9.589   3.981 -10.496
  382   2HH1  ARG  56          2HH2      ARG  56  11.137   3.841  -9.733
  383   1HH2  ARG  56          1HH1      ARG  56  10.852   0.429  -9.179
  384   2HH2  ARG  56          2HH1      ARG  56  11.852   1.830  -8.985
  385    H    CYS  57           H        CYS  57   4.429   1.082  -6.534
  386    HA   CYS  57           HA       CYS  57   3.416  -1.472  -5.681
  387   1HB   CYS  57          HB2       CYS  57   1.728   0.701  -6.929
  388   2HB   CYS  57          HB1       CYS  57   1.268  -0.458  -5.685
  389    H    THR  58           H        THR  58   2.083  -2.941  -6.889
  390    HA   THR  58           HA       THR  58   2.833  -3.113  -9.719
  391    HB   THR  58           HB       THR  58   2.147  -5.321  -9.617
  392    HG1  THR  58           HG1      THR  58   0.163  -5.633  -9.079
  393   1HG2  THR  58          1HG2      THR  58   2.300  -4.882  -6.639
  394   2HG2  THR  58          2HG2      THR  58   3.723  -4.678  -7.662
  395   3HG2  THR  58          3HG2      THR  58   2.907  -6.241  -7.586
  396    H    GLY  59           H        GLY  59   0.700  -1.196  -8.324
  397   1HA   GLY  59          HA2       GLY  59  -1.060   0.010  -9.385
  398   2HA   GLY  59          HA1       GLY  59  -1.054  -1.187 -10.682
  399    H    GLN  60           H        GLN  60  -1.584  -3.533  -9.562
  400    HA   GLN  60           HA       GLN  60  -4.347  -3.266  -8.686
  401   1HB   GLN  60          HB2       GLN  60  -2.582  -5.730  -8.832
  402   2HB   GLN  60          HB1       GLN  60  -4.337  -5.724  -8.654
  403   1HG   GLN  60          HG2       GLN  60  -4.235  -4.234 -10.837
  404   2HG   GLN  60          HG1       GLN  60  -2.673  -5.027 -11.047
  405   1HE2  GLN  60          1HE2      GLN  60  -5.961  -6.097  -9.974
  406   2HE2  GLN  60          2HE2      GLN  60  -5.990  -7.473 -10.966
  407    H    SER  61           H        SER  61  -1.475  -2.947  -7.056
  408    HA   SER  61           HA       SER  61  -2.522  -4.190  -4.558
  409   1HB   SER  61          HB2       SER  61   0.201  -2.939  -4.913
  410   2HB   SER  61          HB1       SER  61  -0.303  -4.142  -3.729
  411    HG   SER  61           HG       SER  61   0.411  -5.517  -5.148
  412    H    ALA  62           H        ALA  62  -3.646  -2.836  -3.251
  413    HA   ALA  62           HA       ALA  62  -3.568   0.043  -3.573
  414   1HB   ALA  62          HB1       ALA  62  -4.793  -0.251  -1.191
  415   2HB   ALA  62          HB2       ALA  62  -4.965  -1.898  -1.798
  416   3HB   ALA  62          HB3       ALA  62  -5.621  -0.546  -2.721
  417    H    ASP  63           H        ASP  63  -2.591  -2.078  -0.847
  418    HA   ASP  63           HA       ASP  63  -1.067   0.108   0.364
  419   1HB   ASP  63          HB2       ASP  63  -1.142  -2.844   1.064
  420   2HB   ASP  63          HB1       ASP  63  -0.438  -1.563   2.054
  421    H    CYS  64           H        CYS  64   1.315  -0.340   0.929
  422    HA   CYS  64           HA       CYS  64   2.629  -1.482  -1.496
  423   1HB   CYS  64          HB2       CYS  64   3.055   0.907  -1.203
  424   2HB   CYS  64          HB1       CYS  64   3.622   0.627   0.442
  425    HA   PRO  65           HA       PRO  65   4.183  -4.542   1.271
  426   1HB   PRO  65          HB2       PRO  65   5.470  -5.934  -0.708
  427   2HB   PRO  65          HB1       PRO  65   3.741  -6.071  -0.398
  428   1HG   PRO  65          HG2       PRO  65   5.169  -4.714  -2.623
  429   2HG   PRO  65          HG1       PRO  65   3.513  -5.343  -2.570
  430   1HD   PRO  65          HD2       PRO  65   4.287  -2.625  -2.322
  431   2HD   PRO  65          HD1       PRO  65   2.673  -3.297  -2.006
  432    H    ARG  66           H        ARG  66   6.712  -5.754   0.635
  433    HA   ARG  66           HA       ARG  66   8.548  -3.415   0.960
  434   1HB   ARG  66          HB2       ARG  66   9.992  -5.003   2.294
  435   2HB   ARG  66          HB1       ARG  66   8.450  -4.609   3.053
  436   1HG   ARG  66          HG2       ARG  66   7.535  -6.732   1.938
  437   2HG   ARG  66          HG1       ARG  66   9.216  -7.150   1.604
  438   1HD   ARG  66          HD2       ARG  66   9.298  -8.030   3.679
  439   2HD   ARG  66          HD1       ARG  66   9.208  -6.379   4.291
  440    HE   ARG  66           HE       ARG  66   6.946  -6.768   4.872
  441   1HH1  ARG  66          1HH1      ARG  66   8.067  -9.701   4.863
  442   2HH1  ARG  66          2HH1      ARG  66   6.744 -10.509   4.092
  443   1HH2  ARG  66          1HH2      ARG  66   5.269  -7.581   2.961
  444   2HH2  ARG  66          2HH2      ARG  66   5.162  -9.309   3.013
  445    H    TYR  67           H        TYR  67  10.894  -4.072   0.364
  446    HA   TYR  67           HA       TYR  67  10.833  -5.875  -2.023
  447   1HB   TYR  67          HB2       TYR  67  10.908  -3.323  -2.460
  448   2HB   TYR  67          HB1       TYR  67  12.563  -3.409  -1.856
  449    HD1  TYR  67           HD2      TYR  67  13.931  -5.524  -2.871
  450    HD2  TYR  67           HD1      TYR  67  10.630  -3.523  -4.755
  451    HE1  TYR  67           HE2      TYR  67  14.693  -6.347  -5.083
  452    HE2  TYR  67           HE1      TYR  67  11.393  -4.346  -6.966
  453    HH   TYR  67           HH       TYR  67  12.830  -6.423  -7.757
  454    H    HIS  68           H        HIS  68  13.396  -4.050  -0.315
  455    HA   HIS  68           HA       HIS  68  15.209  -6.313  -0.476
  456   1HB   HIS  68          HB2       HIS  68  16.118  -4.059  -0.498
  457   2HB   HIS  68          HB1       HIS  68  15.365  -3.700   1.055
  458    HD1  HIS  68           HD1      HIS  68  17.562  -6.594  -0.151
  459    HD2  HIS  68           HD2      HIS  68  17.332  -3.842   2.972
  460    HE1  HIS  68           HE1      HIS  68  19.489  -7.116   1.408
  Start of MODEL    2
    1   1H    GLY   1          HT1       GLY   1  -7.699  -9.089   6.824
    2   2H    GLY   1          HT2       GLY   1  -6.385  -8.175   6.252
    3   3H    GLY   1          HT3       GLY   1  -7.005  -9.453   5.321
    4   1HA   GLY   1          HA1       GLY   1  -8.625  -7.085   6.054
    5   2HA   GLY   1          HA2       GLY   1  -7.661  -7.158   4.580
    6    H    LYS   2           H        LYS   2  -9.056 -10.085   5.842
    7    HA   LYS   2           HA       LYS   2 -10.393 -10.732   3.420
    8   1HB   LYS   2          HB2       LYS   2 -10.483 -11.751   6.231
    9   2HB   LYS   2          HB1       LYS   2 -11.764 -12.253   5.126
   10   1HG   LYS   2          HG2       LYS   2  -9.384 -12.490   3.648
   11   2HG   LYS   2          HG1       LYS   2  -9.008 -13.144   5.243
   12   1HD   LYS   2          HD2       LYS   2 -10.407 -14.922   4.984
   13   2HD   LYS   2          HD1       LYS   2 -11.635 -13.958   4.161
   14   1HE   LYS   2          HE2       LYS   2  -9.273 -14.139   2.514
   15   2HE   LYS   2          HE1       LYS   2  -9.800 -15.755   2.981
   16   1HZ   LYS   2          HZ1       LYS   2 -10.845 -14.760   0.919
   17   2HZ   LYS   2          HZ2       LYS   2 -11.694 -13.724   1.964
   18   3HZ   LYS   2          HZ3       LYS   2 -11.908 -15.407   2.071
   19    H    GLU   3           H        GLU   3 -11.591  -9.190   6.392
   20    HA   GLU   3           HA       GLU   3 -14.135  -8.598   4.928
   21   1HB   GLU   3          HB2       GLU   3 -14.229 -10.020   7.067
   22   2HB   GLU   3          HB1       GLU   3 -13.778  -8.549   7.930
   23   1HG   GLU   3          HG2       GLU   3 -15.742  -7.409   6.797
   24   2HG   GLU   3          HG1       GLU   3 -16.245  -9.004   6.236
   25    H    CYS   4           H        CYS   4 -11.306  -7.180   5.547
   26    HA   CYS   4           HA       CYS   4 -12.604  -4.527   5.966
   27   1HB   CYS   4          HB2       CYS   4 -11.483  -5.092   8.047
   28   2HB   CYS   4          HB1       CYS   4 -10.004  -5.505   7.179
   29    H    ASP   5           H        ASP   5 -12.145  -3.138   4.361
   30    HA   ASP   5           HA       ASP   5  -9.711  -3.630   2.690
   31   1HB   ASP   5          HB2       ASP   5 -12.545  -3.086   1.963
   32   2HB   ASP   5          HB1       ASP   5 -11.329  -2.218   1.026
   33    H    CYS   6           H        CYS   6 -10.510  -1.837   5.103
   34    HA   CYS   6           HA       CYS   6  -9.039   0.519   4.188
   35   1HB   CYS   6          HB2       CYS   6 -11.152   1.262   3.401
   36   2HB   CYS   6          HB1       CYS   6 -11.997   0.599   4.797
   37    H    SER   7           H        SER   7  -7.892   1.291   5.930
   38    HA   SER   7           HA       SER   7  -8.501   0.095   8.574
   39   1HB   SER   7          HB2       SER   7  -6.161   1.830   8.453
   40   2HB   SER   7          HB1       SER   7  -6.273   0.131   8.906
   41    HG   SER   7           HG       SER   7  -5.104   0.855   6.854
   42    H    SER   8           H        SER   8  -8.924   3.062   6.906
   43    HA   SER   8           HA       SER   8  -8.889   4.703   9.343
   44   1HB   SER   8          HB2       SER   8 -10.019   6.326   7.525
   45   2HB   SER   8          HB1       SER   8  -8.280   6.075   7.613
   46    HG   SER   8           HG       SER   8  -8.383   4.708   5.920
   47    HA   PRO   9           HA       PRO   9 -13.170   3.565  10.041
   48   1HB   PRO   9          HB2       PRO   9 -13.314   4.742  12.520
   49   2HB   PRO   9          HB1       PRO   9 -12.603   3.144  12.236
   50   1HG   PRO   9          HG2       PRO   9 -11.236   5.733  12.800
   51   2HG   PRO   9          HG1       PRO   9 -10.685   4.080  13.120
   52   1HD   PRO   9          HD2       PRO   9  -9.838   5.727  10.978
   53   2HD   PRO   9          HD1       PRO   9  -9.553   3.980  11.129
   54    H    GLU  10           H        GLU  10 -11.942   6.820  10.909
   55    HA   GLU  10           HA       GLU  10 -14.515   8.102  10.624
   56   1HB   GLU  10          HB2       GLU  10 -11.672   9.033  10.861
   57   2HB   GLU  10          HB1       GLU  10 -12.907  10.185  10.348
   58   1HG   GLU  10          HG2       GLU  10 -14.199   9.794  12.355
   59   2HG   GLU  10          HG1       GLU  10 -13.137   8.468  12.836
   60    H    ASN  11           H        ASN  11 -12.372   6.816   8.362
   61    HA   ASN  11           HA       ASN  11 -12.723   8.738   6.230
   62   1HB   ASN  11          HB2       ASN  11 -10.836   7.326   6.036
   63   2HB   ASN  11          HB1       ASN  11 -11.779   5.876   6.371
   64   1HD2  ASN  11          1HD2      ASN  11 -10.803   5.072   4.274
   65   2HD2  ASN  11          2HD2      ASN  11 -11.528   5.528   2.811
   66    HA   PRO  12           HA       PRO  12 -16.872   7.419   5.296
   67   1HB   PRO  12          HB2       PRO  12 -17.221   9.111   3.160
   68   2HB   PRO  12          HB1       PRO  12 -17.343   9.627   4.850
   69   1HG   PRO  12          HG2       PRO  12 -15.147  10.118   2.892
   70   2HG   PRO  12          HG1       PRO  12 -15.630  11.076   4.301
   71   1HD   PRO  12          HD2       PRO  12 -13.427   9.307   4.182
   72   2HD   PRO  12          HD1       PRO  12 -14.124  10.008   5.657
   73    H    CYS  13           H        CYS  13 -14.249   7.509   2.927
   74    HA   CYS  13           HA       CYS  13 -15.528   6.242   0.747
   75   1HB   CYS  13          HB2       CYS  13 -13.048   7.162   1.095
   76   2HB   CYS  13          HB1       CYS  13 -12.727   5.464   1.419
   77    H    CYS  14           H        CYS  14 -14.625   4.965   3.845
   78    HA   CYS  14           HA       CYS  14 -15.413   2.258   2.859
   79   1HB   CYS  14          HB2       CYS  14 -13.804   1.405   4.686
   80   2HB   CYS  14          HB1       CYS  14 -13.088   2.034   3.203
   81    H    ASP  15           H        ASP  15 -16.451   0.910   4.455
   82    HA   ASP  15           HA       ASP  15 -17.966   2.499   6.440
   83   1HB   ASP  15          HB2       ASP  15 -19.008   0.781   4.810
   84   2HB   ASP  15          HB1       ASP  15 -18.312  -0.447   5.868
   85    H    ALA  16           H        ALA  16 -17.102   2.639   8.448
   86    HA   ALA  16           HA       ALA  16 -14.957   1.005   9.390
   87   1HB   ALA  16          HB1       ALA  16 -15.115   2.215  11.391
   88   2HB   ALA  16          HB2       ALA  16 -16.865   2.386  11.262
   89   3HB   ALA  16          HB3       ALA  16 -15.806   3.336  10.219
   90    H    ALA  17           H        ALA  17 -18.467   0.750   9.754
   91    HA   ALA  17           HA       ALA  17 -18.576  -1.213  11.783
   92   1HB   ALA  17          HB1       ALA  17 -20.791  -1.538  11.151
   93   2HB   ALA  17          HB2       ALA  17 -20.426  -1.409   9.431
   94   3HB   ALA  17          HB3       ALA  17 -20.478   0.042  10.431
   95    H    THR  18           H        THR  18 -18.208  -1.634   8.254
   96    HA   THR  18           HA       THR  18 -17.579  -4.507   8.763
   97    HB   THR  18           HB       THR  18 -18.018  -4.853   6.379
   98    HG1  THR  18           HG1      THR  18 -17.441  -3.055   5.364
   99   1HG2  THR  18          1HG2      THR  18 -19.981  -5.033   7.697
  100   2HG2  THR  18          2HG2      THR  18 -20.436  -3.984   6.355
  101   3HG2  THR  18          3HG2      THR  18 -20.076  -3.288   7.935
  102    H    CYS  19           H        CYS  19 -15.993  -1.641   8.482
  103    HA   CYS  19           HA       CYS  19 -13.792  -1.059   7.914
  104   1HB   CYS  19          HB2       CYS  19 -13.607  -3.296   9.348
  105   2HB   CYS  19          HB1       CYS  19 -13.042  -3.955   7.813
  106    H    LYS  20           H        LYS  20 -15.803  -2.024   5.763
  107    HA   LYS  20           HA       LYS  20 -13.742  -2.585   3.665
  108   1HB   LYS  20          HB2       LYS  20 -16.670  -3.365   3.668
  109   2HB   LYS  20          HB1       LYS  20 -15.515  -3.700   2.375
  110   1HG   LYS  20          HG2       LYS  20 -14.130  -4.769   4.392
  111   2HG   LYS  20          HG1       LYS  20 -15.744  -4.946   5.081
  112   1HD   LYS  20          HD2       LYS  20 -15.192  -6.953   3.811
  113   2HD   LYS  20          HD1       LYS  20 -16.476  -6.076   2.981
  114   1HE   LYS  20          HE2       LYS  20 -15.158  -5.593   1.190
  115   2HE   LYS  20          HE1       LYS  20 -13.747  -5.273   2.198
  116   1HZ   LYS  20          HZ1       LYS  20 -14.686  -7.799   1.058
  117   2HZ   LYS  20          HZ2       LYS  20 -13.898  -7.850   2.561
  118   3HZ   LYS  20          HZ3       LYS  20 -13.106  -7.201   1.205
  119    H    LEU  21           H        LEU  21 -14.766  -1.911   1.396
  120    HA   LEU  21           HA       LEU  21 -15.166   0.970   1.570
  121   1HB   LEU  21          HB2       LEU  21 -14.795  -1.028  -0.623
  122   2HB   LEU  21          HB1       LEU  21 -15.503   0.536  -1.029
  123    HG   LEU  21           HG       LEU  21 -13.374   1.189   0.644
  124   1HD1  LEU  21          1HD1      LEU  21 -11.827  -0.438   0.518
  125   2HD1  LEU  21          2HD1      LEU  21 -11.798  -0.255  -1.235
  126   3HD1  LEU  21          3HD1      LEU  21 -12.905  -1.405  -0.488
  127   1HD2  LEU  21          1HD2      LEU  21 -14.280   1.664  -2.005
  128   2HD2  LEU  21          2HD2      LEU  21 -12.567   1.256  -2.122
  129   3HD2  LEU  21          3HD2      LEU  21 -13.087   2.592  -1.095
  130    H    ARG  22           H        ARG  22 -17.088   2.024   1.539
  131    HA   ARG  22           HA       ARG  22 -19.565   0.473   1.499
  132   1HB   ARG  22          HB2       ARG  22 -18.715   3.093   2.380
  133   2HB   ARG  22          HB1       ARG  22 -20.181   3.223   1.409
  134   1HG   ARG  22          HG2       ARG  22 -20.263   0.964   3.268
  135   2HG   ARG  22          HG1       ARG  22 -20.082   2.514   4.090
  136   1HD   ARG  22          HD2       ARG  22 -22.020   3.404   2.850
  137   2HD   ARG  22          HD1       ARG  22 -22.205   1.855   2.027
  138    HE   ARG  22           HE       ARG  22 -22.252   1.320   4.801
  139   1HH1  ARG  22          1HH2      ARG  22 -24.253   1.718   2.172
  140   2HH1  ARG  22          2HH2      ARG  22 -25.673   2.129   3.074
  141   1HH2  ARG  22          1HH1      ARG  22 -23.992   2.438   6.092
  142   2HH2  ARG  22          2HH1      ARG  22 -25.526   2.535   5.292
  143    HA   PRO  23           HA       PRO  23 -20.280   2.992  -2.494
  144   1HB   PRO  23          HB2       PRO  23 -18.188   4.507  -3.438
  145   2HB   PRO  23          HB1       PRO  23 -19.414   5.117  -2.315
  146   1HG   PRO  23          HG2       PRO  23 -16.582   4.371  -1.775
  147   2HG   PRO  23          HG1       PRO  23 -17.630   5.503  -0.904
  148   1HD   PRO  23          HD2       PRO  23 -16.984   2.859  -0.103
  149   2HD   PRO  23          HD1       PRO  23 -18.247   3.889   0.605
  150    H    GLY  24           H        GLY  24 -18.639   3.309  -4.791
  151   1HA   GLY  24          HA2       GLY  24 -17.887   0.485  -5.253
  152   2HA   GLY  24          HA1       GLY  24 -18.109   1.711  -6.502
  153    H    ALA  25           H        ALA  25 -16.244   2.740  -3.810
  154    HA   ALA  25           HA       ALA  25 -13.905   3.157  -5.435
  155   1HB   ALA  25          HB1       ALA  25 -12.876   3.461  -3.006
  156   2HB   ALA  25          HB2       ALA  25 -14.573   3.439  -2.526
  157   3HB   ALA  25          HB3       ALA  25 -13.993   4.657  -3.662
  158    H    GLN  26           H        GLN  26 -11.916   2.013  -5.413
  159    HA   GLN  26           HA       GLN  26 -12.182  -0.838  -4.747
  160   1HB   GLN  26          HB2       GLN  26 -10.701   0.696  -6.624
  161   2HB   GLN  26          HB1       GLN  26  -9.529  -0.117  -5.586
  162   1HG   GLN  26          HG2       GLN  26  -9.915  -1.784  -7.149
  163   2HG   GLN  26          HG1       GLN  26 -11.144  -2.183  -5.951
  164   1HE2  GLN  26          1HE2      GLN  26 -10.693  -1.596  -9.245
  165   2HE2  GLN  26          2HE2      GLN  26 -12.300  -1.242  -9.664
  166    H    CYS  27           H        CYS  27 -10.705   2.017  -3.428
  167    HA   CYS  27           HA       CYS  27  -9.858   0.461  -1.066
  168   1HB   CYS  27          HB2       CYS  27  -7.792   0.355  -2.198
  169   2HB   CYS  27          HB1       CYS  27  -7.982   1.959  -2.895
  170    H    GLY  28           H        GLY  28 -10.682   1.591   0.632
  171   1HA   GLY  28          HA2       GLY  28 -11.651   4.286   0.321
  172   2HA   GLY  28          HA1       GLY  28 -11.585   3.399   1.843
  173    H    GLU  29           H        GLU  29  -8.665   2.888   1.520
  174    HA   GLU  29           HA       GLU  29  -7.339   5.467   1.401
  175   1HB   GLU  29          HB2       GLU  29  -8.577   5.564   3.607
  176   2HB   GLU  29          HB1       GLU  29  -7.594   4.202   4.143
  177   1HG   GLU  29          HG2       GLU  29  -5.654   5.851   3.204
  178   2HG   GLU  29          HG1       GLU  29  -6.837   7.039   3.746
  179    H    GLY  30           H        GLY  30  -5.030   5.218   1.585
  180   1HA   GLY  30          HA2       GLY  30  -3.534   3.110   2.531
  181   2HA   GLY  30          HA1       GLY  30  -4.112   2.513   0.976
  182    H    LEU  31           H        LEU  31  -1.502   2.674   0.970
  183    HA   LEU  31           HA       LEU  31  -0.476   5.329   0.322
  184   1HB   LEU  31          HB2       LEU  31   0.621   2.559   0.478
  185   2HB   LEU  31          HB1       LEU  31   1.479   3.710  -0.547
  186    HG   LEU  31           HG       LEU  31   2.313   3.678   1.816
  187   1HD1  LEU  31          1HD1      LEU  31   1.580   6.322   2.044
  188   2HD1  LEU  31          2HD1      LEU  31   1.326   6.015   0.325
  189   3HD1  LEU  31          3HD1      LEU  31   2.909   5.730   1.048
  190   1HD2  LEU  31          1HD2      LEU  31   0.192   3.218   2.948
  191   2HD2  LEU  31          2HD2      LEU  31  -0.476   4.744   2.367
  192   3HD2  LEU  31          3HD2      LEU  31   0.848   4.747   3.532
  193    H    CYS  32           H        CYS  32  -1.283   2.385  -1.531
  194    HA   CYS  32           HA       CYS  32  -0.815   3.907  -4.041
  195   1HB   CYS  32          HB2       CYS  32  -1.612   1.006  -3.894
  196   2HB   CYS  32          HB1       CYS  32  -0.697   1.839  -5.151
  197    H    CYS  33           H        CYS  33  -3.064   4.709  -2.523
  198    HA   CYS  33           HA       CYS  33  -5.317   3.622  -4.166
  199   1HB   CYS  33          HB2       CYS  33  -5.442   5.013  -1.470
  200   2HB   CYS  33          HB1       CYS  33  -6.812   4.344  -2.357
  201    H    GLU  34           H        GLU  34  -5.355   5.031  -5.895
  202    HA   GLU  34           HA       GLU  34  -5.090   7.937  -5.390
  203   1HB   GLU  34          HB2       GLU  34  -4.984   6.173  -7.811
  204   2HB   GLU  34          HB1       GLU  34  -5.401   7.874  -8.018
  205   1HG   GLU  34          HG2       GLU  34  -3.331   8.453  -6.688
  206   2HG   GLU  34          HG1       GLU  34  -2.887   6.748  -6.760
  207    H    GLN  35           H        GLN  35  -6.945   8.973  -4.864
  208    HA   GLN  35           HA       GLN  35  -9.194   9.619  -4.908
  209   1HB   GLN  35          HB2       GLN  35  -9.304   8.216  -7.587
  210   2HB   GLN  35          HB1       GLN  35 -10.326   9.539  -7.026
  211   1HG   GLN  35          HG2       GLN  35  -8.829  11.070  -7.714
  212   2HG   GLN  35          HG1       GLN  35  -7.536  10.273  -6.818
  213   1HE2  GLN  35          1HE2      GLN  35  -6.018  10.576  -8.622
  214   2HE2  GLN  35          2HE2      GLN  35  -6.147   9.644 -10.034
  215    H    CYS  36           H        CYS  36  -8.627   7.273  -3.514
  216    HA   CYS  36           HA       CYS  36  -9.744   5.447  -2.565
  217   1HB   CYS  36          HB2       CYS  36 -11.927   6.939  -3.966
  218   2HB   CYS  36          HB1       CYS  36 -12.270   5.311  -3.387
  219    H    LYS  37           H        LYS  37  -8.403   5.313  -5.271
  220    HA   LYS  37           HA       LYS  37  -9.760   2.811  -6.193
  221   1HB   LYS  37          HB2       LYS  37  -8.734   5.149  -7.765
  222   2HB   LYS  37          HB1       LYS  37  -8.637   3.538  -8.477
  223   1HG   LYS  37          HG2       LYS  37 -11.110   3.278  -7.859
  224   2HG   LYS  37          HG1       LYS  37 -11.107   5.016  -7.555
  225   1HD   LYS  37          HD2       LYS  37 -10.803   5.549  -9.787
  226   2HD   LYS  37          HD1       LYS  37  -9.965   4.036 -10.141
  227   1HE   LYS  37          HE2       LYS  37 -12.904   4.137  -9.430
  228   2HE   LYS  37          HE1       LYS  37 -12.324   4.244 -11.093
  229   1HZ   LYS  37          HZ1       LYS  37 -11.624   2.039  -9.236
  230   2HZ   LYS  37          HZ2       LYS  37 -11.295   2.124 -10.901
  231   3HZ   LYS  37          HZ3       LYS  37 -12.896   1.960 -10.354
  232    H    PHE  38           H        PHE  38  -8.307   1.173  -7.009
  233    HA   PHE  38           HA       PHE  38  -5.796   1.035  -5.596
  234   1HB   PHE  38          HB2       PHE  38  -7.040  -0.637  -7.784
  235   2HB   PHE  38          HB1       PHE  38  -5.436  -0.990  -7.143
  236    HD1  PHE  38           HD2      PHE  38  -5.963  -0.166  -4.244
  237    HD2  PHE  38           HD1      PHE  38  -8.221  -2.550  -7.013
  238    HE1  PHE  38           HE2      PHE  38  -7.008  -1.379  -2.352
  239    HE2  PHE  38           HE1      PHE  38  -9.262  -3.764  -5.119
  240    HZ   PHE  38           HZ       PHE  38  -8.655  -3.178  -2.787
  241    H    SER  39           H        SER  39  -3.979   2.119  -6.182
  242    HA   SER  39           HA       SER  39  -3.639   3.590  -8.560
  243   1HB   SER  39          HB2       SER  39  -1.909   2.666  -6.369
  244   2HB   SER  39          HB1       SER  39  -1.057   2.883  -7.896
  245    HG   SER  39           HG       SER  39  -1.112   4.920  -7.385
  246    H    ARG  40           H        ARG  40  -1.395   2.876  -9.909
  247    HA   ARG  40           HA       ARG  40  -2.140   0.219 -11.062
  248   1HB   ARG  40          HB2       ARG  40  -1.459   2.813 -12.258
  249   2HB   ARG  40          HB1       ARG  40  -0.553   1.467 -12.949
  250   1HG   ARG  40          HG2       ARG  40  -2.509   0.338 -13.627
  251   2HG   ARG  40          HG1       ARG  40  -3.533   1.273 -12.535
  252   1HD   ARG  40          HD2       ARG  40  -3.637   3.078 -13.954
  253   2HD   ARG  40          HD1       ARG  40  -2.020   2.795 -14.601
  254    HE   ARG  40           HE       ARG  40  -2.966   1.118 -16.094
  255   1HH1  ARG  40          1HH1      ARG  40  -4.964   3.633 -15.265
  256   2HH1  ARG  40          2HH1      ARG  40  -6.449   2.857 -15.703
  257   1HH2  ARG  40          1HH2      ARG  40  -4.992  -0.255 -16.170
  258   2HH2  ARG  40          2HH2      ARG  40  -6.464   0.656 -16.219
  259    H    ALA  41           H        ALA  41  -0.410  -1.214 -11.637
  260    HA   ALA  41           HA       ALA  41   1.699  -1.473  -9.826
  261   1HB   ALA  41          HB1       ALA  41   2.407  -2.325 -12.554
  262   2HB   ALA  41          HB2       ALA  41   0.831  -2.901 -12.012
  263   3HB   ALA  41          HB3       ALA  41   2.277  -3.279 -11.076
  264    H    GLY  42           H        GLY  42   4.057  -1.149 -10.195
  265   1HA   GLY  42          HA2       GLY  42   5.885   0.210 -10.784
  266   2HA   GLY  42          HA1       GLY  42   4.959   0.750 -12.183
  267    H    LYS  43           H        LYS  43   3.643   0.946  -8.945
  268    HA   LYS  43           HA       LYS  43   3.774   3.929  -9.197
  269   1HB   LYS  43          HB2       LYS  43   1.501   3.028  -9.037
  270   2HB   LYS  43          HB1       LYS  43   1.926   2.178  -7.552
  271   1HG   LYS  43          HG2       LYS  43   0.731   4.367  -7.173
  272   2HG   LYS  43          HG1       LYS  43   2.305   4.259  -6.384
  273   1HD   LYS  43          HD2       LYS  43   3.256   5.825  -7.762
  274   2HD   LYS  43          HD1       LYS  43   2.294   5.332  -9.156
  275   1HE   LYS  43          HE2       LYS  43   0.479   6.647  -8.542
  276   2HE   LYS  43          HE1       LYS  43   0.916   6.632  -6.833
  277   1HZ   LYS  43          HZ1       LYS  43   2.245   8.138  -9.015
  278   2HZ   LYS  43          HZ2       LYS  43   2.888   7.989  -7.449
  279   3HZ   LYS  43          HZ3       LYS  43   1.402   8.776  -7.689
  280    H    ILE  44           H        ILE  44   5.271   4.890  -7.933
  281    HA   ILE  44           HA       ILE  44   6.727   3.510  -5.889
  282    HB   ILE  44           HB       ILE  44   7.727   5.424  -6.988
  283   1HG1  ILE  44          2HG1      ILE  44   8.320   6.815  -4.986
  284   2HG1  ILE  44          1HG1      ILE  44   7.053   5.984  -4.084
  285   1HG2  ILE  44          1HG2      ILE  44   6.795   7.703  -6.638
  286   2HG2  ILE  44          2HG2      ILE  44   5.418   6.991  -5.800
  287   3HG2  ILE  44          3HG2      ILE  44   5.676   6.658  -7.512
  288   1HD1  ILE  44          1HD1      ILE  44   8.463   3.888  -5.202
  289   2HD1  ILE  44          2HD1      ILE  44   8.660   4.476  -3.552
  290   3HD1  ILE  44          3HD1      ILE  44   9.736   5.049  -4.827
  291    H    CYS  45           H        CYS  45   6.031   3.011  -3.872
  292    HA   CYS  45           HA       CYS  45   3.810   4.659  -2.727
  293   1HB   CYS  45          HB2       CYS  45   3.780   2.441  -1.166
  294   2HB   CYS  45          HB1       CYS  45   2.806   2.609  -2.622
  295    H    ARG  46           H        ARG  46   7.091   3.815  -2.387
  296    HA   ARG  46           HA       ARG  46   7.296   5.435   0.033
  297   1HB   ARG  46          HB2       ARG  46   6.896   2.688   0.399
  298   2HB   ARG  46          HB1       ARG  46   8.636   2.909   0.585
  299   1HG   ARG  46          HG2       ARG  46   8.404   4.091   2.514
  300   2HG   ARG  46          HG1       ARG  46   7.004   4.977   1.910
  301   1HD   ARG  46          HD2       ARG  46   6.011   2.417   2.147
  302   2HD   ARG  46          HD1       ARG  46   7.107   2.524   3.525
  303    HE   ARG  46           HE       ARG  46   4.569   3.778   3.400
  304   1HH1  ARG  46          1HH2      ARG  46   6.772   3.554   5.647
  305   2HH1  ARG  46          2HH2      ARG  46   6.889   5.225   6.090
  306   1HH2  ARG  46          1HH1      ARG  46   5.181   6.359   3.292
  307   2HH2  ARG  46          2HH1      ARG  46   5.990   6.814   4.755
  308    H    ILE  47           H        ILE  47   8.780   6.717  -0.980
  309    HA   ILE  47           HA       ILE  47  10.819   5.956  -2.748
  310    HB   ILE  47           HB       ILE  47  10.076   8.290  -1.221
  311   1HG1  ILE  47          2HG1      ILE  47  11.767   7.825  -3.690
  312   2HG1  ILE  47          1HG1      ILE  47  10.045   8.202  -3.636
  313   1HG2  ILE  47          1HG2      ILE  47  12.107   8.018   0.076
  314   2HG2  ILE  47          2HG2      ILE  47  12.355   9.324  -1.082
  315   3HG2  ILE  47          3HG2      ILE  47  13.051   7.733  -1.385
  316   1HD1  ILE  47          1HD1      ILE  47  12.389   9.988  -3.215
  317   2HD1  ILE  47          2HD1      ILE  47  10.966  10.287  -2.218
  318   3HD1  ILE  47          3HD1      ILE  47  10.836  10.332  -3.976
  319    HA   PRO  48           HA       PRO  48  13.796   3.883  -0.264
  320   1HB   PRO  48          HB2       PRO  48  16.055   4.473  -1.716
  321   2HB   PRO  48          HB1       PRO  48  14.839   3.294  -2.237
  322   1HG   PRO  48          HG2       PRO  48  15.339   6.052  -3.257
  323   2HG   PRO  48          HG1       PRO  48  14.636   4.657  -4.092
  324   1HD   PRO  48          HD2       PRO  48  13.195   6.839  -3.017
  325   2HD   PRO  48          HD1       PRO  48  12.501   5.291  -3.541
  326    H    ARG  49           H        ARG  49  14.295   4.773   1.729
  327    HA   ARG  49           HA       ARG  49  15.567   7.457   1.810
  328   1HB   ARG  49          HB2       ARG  49  13.849   5.894   3.600
  329   2HB   ARG  49          HB1       ARG  49  15.212   6.644   4.431
  330   1HG   ARG  49          HG2       ARG  49  14.527   8.800   3.902
  331   2HG   ARG  49          HG1       ARG  49  13.638   8.277   2.471
  332   1HD   ARG  49          HD2       ARG  49  11.973   8.831   4.089
  333   2HD   ARG  49          HD1       ARG  49  12.052   7.069   4.075
  334    HE   ARG  49           HE       ARG  49  13.691   8.503   6.091
  335   1HH1  ARG  49          1HH2      ARG  49  10.469   7.739   5.731
  336   2HH1  ARG  49          2HH2      ARG  49  10.363   6.709   7.121
  337   1HH2  ARG  49          1HH1      ARG  49  13.785   6.671   7.681
  338   2HH2  ARG  49          2HH1      ARG  49  12.241   6.105   8.225
  339    H    GLY  50           H        GLY  50  17.212   5.358   0.853
  340   1HA   GLY  50          HA2       GLY  50  19.650   5.415   1.560
  341   2HA   GLY  50          HA1       GLY  50  19.072   4.970   3.166
  342    H    GLU  51           H        GLU  51  19.278   2.830   3.600
  343    HA   GLU  51           HA       GLU  51  20.010   0.903   1.612
  344   1HB   GLU  51          HB2       GLU  51  20.308   0.862   4.217
  345   2HB   GLU  51          HB1       GLU  51  18.711   0.111   4.205
  346   1HG   GLU  51          HG2       GLU  51  20.305  -1.681   4.119
  347   2HG   GLU  51          HG1       GLU  51  19.623  -1.538   2.500
  348    H    MET  52           H        MET  52  16.969   2.180   2.553
  349    HA   MET  52           HA       MET  52  15.416  -0.138   1.658
  350   1HB   MET  52          HB2       MET  52  14.501   1.276   3.424
  351   2HB   MET  52          HB1       MET  52  14.590   2.690   2.370
  352   1HG   MET  52          HG2       MET  52  12.408   2.140   1.939
  353   2HG   MET  52          HG1       MET  52  13.153   1.033   0.785
  354   1HE   MET  52          HE1       MET  52  12.084   1.585   4.391
  355   2HE   MET  52          HE2       MET  52  11.077   0.180   4.732
  356   3HE   MET  52          HE3       MET  52  10.595   1.316   3.475
  357    HA   PRO  53           HA       PRO  53  15.720   1.311  -2.568
  358   1HB   PRO  53          HB2       PRO  53  14.448  -0.868  -3.658
  359   2HB   PRO  53          HB1       PRO  53  16.155  -0.869  -3.180
  360   1HG   PRO  53          HG2       PRO  53  13.825  -2.135  -1.816
  361   2HG   PRO  53          HG1       PRO  53  15.535  -2.598  -1.778
  362   1HD   PRO  53          HD2       PRO  53  14.156  -1.193   0.254
  363   2HD   PRO  53          HD1       PRO  53  15.920  -1.364   0.115
  364    H    ASP  54           H        ASP  54  14.122   1.890  -4.257
  365    HA   ASP  54           HA       ASP  54  11.850   3.229  -3.335
  366   1HB   ASP  54          HB2       ASP  54  12.138   1.915  -6.052
  367   2HB   ASP  54          HB1       ASP  54  11.097   3.283  -5.653
  368    H    ASP  55           H        ASP  55   9.548   2.698  -3.562
  369    HA   ASP  55           HA       ASP  55   9.026  -0.242  -3.350
  370   1HB   ASP  55          HB2       ASP  55   8.243   2.027  -1.621
  371   2HB   ASP  55          HB1       ASP  55   6.942   0.901  -2.000
  372    H    ARG  56           H        ARG  56   7.994  -0.840  -5.184
  373    HA   ARG  56           HA       ARG  56   6.200   1.099  -6.561
  374   1HB   ARG  56          HB2       ARG  56   8.122  -0.775  -7.440
  375   2HB   ARG  56          HB1       ARG  56   6.553  -1.405  -7.945
  376   1HG   ARG  56          HG2       ARG  56   7.374   0.049  -9.694
  377   2HG   ARG  56          HG1       ARG  56   6.025   0.853  -8.896
  378   1HD   ARG  56          HD2       ARG  56   8.460   2.015  -9.351
  379   2HD   ARG  56          HD1       ARG  56   7.335   2.524  -8.095
  380    HE   ARG  56           HE       ARG  56   8.822   1.631  -6.487
  381   1HH1  ARG  56          1HH1      ARG  56  10.527   1.793  -9.256
  382   2HH1  ARG  56          2HH1      ARG  56  11.537   0.414  -8.980
  383   1HH2  ARG  56          1HH2      ARG  56   9.686  -0.736  -6.283
  384   2HH2  ARG  56          2HH2      ARG  56  11.063  -1.017  -7.295
  385    H    CYS  57           H        CYS  57   4.017   0.791  -6.615
  386    HA   CYS  57           HA       CYS  57   2.861  -1.438  -5.103
  387   1HB   CYS  57          HB2       CYS  57   1.383   0.565  -6.828
  388   2HB   CYS  57          HB1       CYS  57   0.740  -0.381  -5.488
  389    H    THR  58           H        THR  58   1.255  -2.903  -6.117
  390    HA   THR  58           HA       THR  58   2.220  -3.816  -8.744
  391    HB   THR  58           HB       THR  58   0.963  -5.817  -8.322
  392    HG1  THR  58           HG1      THR  58  -0.139  -4.789  -5.976
  393   1HG2  THR  58          1HG2      THR  58   1.675  -6.330  -5.916
  394   2HG2  THR  58          2HG2      THR  58   2.270  -4.672  -5.851
  395   3HG2  THR  58          3HG2      THR  58   2.952  -5.808  -7.015
  396    H    GLY  59           H        GLY  59  -0.168  -1.705  -7.667
  397   1HA   GLY  59          HA2       GLY  59  -1.611  -0.519  -9.201
  398   2HA   GLY  59          HA1       GLY  59  -1.514  -1.891 -10.306
  399    H    GLN  60           H        GLN  60  -1.978  -3.732  -7.929
  400    HA   GLN  60           HA       GLN  60  -4.934  -3.304  -7.776
  401   1HB   GLN  60          HB2       GLN  60  -4.815  -5.864  -7.183
  402   2HB   GLN  60          HB1       GLN  60  -4.692  -5.356  -8.868
  403   1HG   GLN  60          HG2       GLN  60  -2.300  -5.555  -8.845
  404   2HG   GLN  60          HG1       GLN  60  -2.275  -5.763  -7.093
  405   1HE2  GLN  60          1HE2      GLN  60  -1.157  -7.714  -8.923
  406   2HE2  GLN  60          2HE2      GLN  60  -2.073  -9.137  -8.780
  407    H    SER  61           H        SER  61  -2.024  -3.423  -5.998
  408    HA   SER  61           HA       SER  61  -3.383  -4.113  -3.457
  409   1HB   SER  61          HB2       SER  61  -0.569  -3.153  -3.471
  410   2HB   SER  61          HB1       SER  61  -1.292  -4.498  -2.593
  411    HG   SER  61           HG       SER  61  -1.201  -5.729  -4.419
  412    H    ALA  62           H        ALA  62  -4.323  -2.522  -2.275
  413    HA   ALA  62           HA       ALA  62  -4.078   0.264  -2.957
  414   1HB   ALA  62          HB1       ALA  62  -5.581  -1.360  -1.071
  415   2HB   ALA  62          HB2       ALA  62  -5.999   0.199  -1.779
  416   3HB   ALA  62          HB3       ALA  62  -5.016   0.131  -0.317
  417    H    ASP  63           H        ASP  63  -2.974  -1.516  -0.047
  418    HA   ASP  63           HA       ASP  63  -1.269   0.728   0.741
  419   1HB   ASP  63          HB2       ASP  63  -1.288  -2.101   1.831
  420   2HB   ASP  63          HB1       ASP  63  -0.648  -0.662   2.624
  421    H    CYS  64           H        CYS  64   1.133  -0.086   1.381
  422    HA   CYS  64           HA       CYS  64   2.200  -1.523  -1.012
  423   1HB   CYS  64          HB2       CYS  64   2.621   0.968  -1.025
  424   2HB   CYS  64          HB1       CYS  64   3.596   0.742   0.426
  425    HA   PRO  65           HA       PRO  65   3.999  -4.079   2.062
  426   1HB   PRO  65          HB2       PRO  65   5.307  -5.684   0.272
  427   2HB   PRO  65          HB1       PRO  65   3.583  -5.830   0.618
  428   1HG   PRO  65          HG2       PRO  65   4.946  -4.755  -1.792
  429   2HG   PRO  65          HG1       PRO  65   3.302  -5.398  -1.625
  430   1HD   PRO  65          HD2       PRO  65   4.048  -2.655  -1.746
  431   2HD   PRO  65          HD1       PRO  65   2.441  -3.302  -1.358
  432    H    ARG  66           H        ARG  66   6.440  -5.107   2.172
  433    HA   ARG  66           HA       ARG  66   8.326  -2.890   1.484
  434   1HB   ARG  66          HB2       ARG  66   9.472  -3.249   3.601
  435   2HB   ARG  66          HB1       ARG  66   7.763  -2.960   3.924
  436   1HG   ARG  66          HG2       ARG  66   8.041  -5.748   3.498
  437   2HG   ARG  66          HG1       ARG  66   9.347  -5.271   4.584
  438   1HD   ARG  66          HD2       ARG  66   7.729  -4.159   6.066
  439   2HD   ARG  66          HD1       ARG  66   6.415  -4.596   4.974
  440    HE   ARG  66           HE       ARG  66   8.061  -6.659   6.386
  441   1HH1  ARG  66          1HH2      ARG  66   5.368  -5.417   7.395
  442   2HH1  ARG  66          2HH2      ARG  66   4.284  -6.704   6.981
  443   1HH2  ARG  66          1HH1      ARG  66   6.553  -8.303   4.902
  444   2HH2  ARG  66          2HH1      ARG  66   4.954  -8.337   5.569
  445    H    TYR  67           H        TYR  67  10.313  -3.533   0.659
  446    HA   TYR  67           HA       TYR  67  10.546  -6.417  -0.013
  447   1HB   TYR  67          HB2       TYR  67  11.587  -3.869  -1.155
  448   2HB   TYR  67          HB1       TYR  67  12.611  -5.294  -1.325
  449    HD1  TYR  67           HD2      TYR  67  11.802  -7.294  -2.538
  450    HD2  TYR  67           HD1      TYR  67   9.469  -3.694  -2.318
  451    HE1  TYR  67           HE2      TYR  67  10.379  -8.102  -4.402
  452    HE2  TYR  67           HE1      TYR  67   8.046  -4.503  -4.182
  453    HH   TYR  67           HH       TYR  67   7.412  -6.668  -5.204
  454    H    HIS  68           H        HIS  68  11.064  -6.514   2.498
  455    HA   HIS  68           HA       HIS  68  12.734  -7.163   4.027
  456   1HB   HIS  68          HB2       HIS  68  14.789  -6.500   1.916
  457   2HB   HIS  68          HB1       HIS  68  14.916  -7.664   3.235
  458    HD1  HIS  68           HD1      HIS  68  15.115  -8.221   0.028
  459    HD2  HIS  68           HD2      HIS  68  11.926  -9.137   2.553
  460    HE1  HIS  68           HE1      HIS  68  13.822 -10.083  -1.100
  Start of MODEL    3
    1   1H    GLY   1          HT1       GLY   1  -9.493 -13.267   7.780
    2   2H    GLY   1          HT2       GLY   1  -8.776 -14.612   7.028
    3   3H    GLY   1          HT3       GLY   1 -10.457 -14.567   7.272
    4   1HA   GLY   1          HA1       GLY   1  -9.015 -13.687   5.050
    5   2HA   GLY   1          HA2       GLY   1 -10.757 -13.610   5.316
    6    H    LYS   2           H        LYS   2  -9.785 -11.537   3.920
    7    HA   LYS   2           HA       LYS   2  -9.034  -9.350   5.752
    8   1HB   LYS   2          HB2       LYS   2  -9.112  -9.766   2.813
    9   2HB   LYS   2          HB1       LYS   2  -9.415  -8.120   3.371
   10   1HG   LYS   2          HG2       LYS   2  -7.153  -7.939   3.436
   11   2HG   LYS   2          HG1       LYS   2  -7.279  -8.860   4.934
   12   1HD   LYS   2          HD2       LYS   2  -7.118 -10.967   3.552
   13   2HD   LYS   2          HD1       LYS   2  -6.756  -9.951   2.157
   14   1HE   LYS   2          HE2       LYS   2  -4.597  -9.922   2.784
   15   2HE   LYS   2          HE1       LYS   2  -5.067  -9.066   4.252
   16   1HZ   LYS   2          HZ1       LYS   2  -5.702 -11.421   5.061
   17   2HZ   LYS   2          HZ2       LYS   2  -4.071 -10.946   5.081
   18   3HZ   LYS   2          HZ3       LYS   2  -4.651 -11.948   3.838
   19    H    GLU   3           H        GLU   3 -10.930  -9.064   7.017
   20    HA   GLU   3           HA       GLU   3 -13.455  -8.455   5.574
   21   1HB   GLU   3          HB2       GLU   3 -14.468  -8.481   7.839
   22   2HB   GLU   3          HB1       GLU   3 -13.603  -9.979   7.496
   23   1HG   GLU   3          HG2       GLU   3 -11.662  -9.189   8.753
   24   2HG   GLU   3          HG1       GLU   3 -12.446  -7.634   9.035
   25    H    CYS   4           H        CYS   4 -10.892  -6.697   5.962
   26    HA   CYS   4           HA       CYS   4 -12.441  -4.266   6.725
   27   1HB   CYS   4          HB2       CYS   4  -9.870  -5.270   7.853
   28   2HB   CYS   4          HB1       CYS   4  -9.985  -3.536   7.554
   29    H    ASP   5           H        ASP   5 -12.380  -2.821   5.074
   30    HA   ASP   5           HA       ASP   5 -10.211  -3.105   3.050
   31   1HB   ASP   5          HB2       ASP   5 -13.029  -2.641   2.869
   32   2HB   ASP   5          HB1       ASP   5 -12.199  -1.221   2.234
   33    H    CYS   6           H        CYS   6 -10.880  -1.323   5.758
   34    HA   CYS   6           HA       CYS   6  -8.985   0.774   4.938
   35   1HB   CYS   6          HB2       CYS   6 -10.416   2.634   5.377
   36   2HB   CYS   6          HB1       CYS   6 -11.349   1.561   4.337
   37    H    SER   7           H        SER   7  -8.027   1.816   6.791
   38    HA   SER   7           HA       SER   7  -8.391   0.247   9.286
   39   1HB   SER   7          HB2       SER   7  -6.096   0.620   8.260
   40   2HB   SER   7          HB1       SER   7  -6.265   2.318   8.694
   41    HG   SER   7           HG       SER   7  -5.254   0.648  10.231
   42    H    SER   8           H        SER   8  -9.512   3.104   7.955
   43    HA   SER   8           HA       SER   8  -9.658   4.457  10.605
   44   1HB   SER   8          HB2       SER   8  -9.322   5.398   7.909
   45   2HB   SER   8          HB1       SER   8 -10.799   6.084   8.580
   46    HG   SER   8           HG       SER   8  -9.598   6.831  10.332
   47    HA   PRO   9           HA       PRO   9 -13.893   3.080  10.671
   48   1HB   PRO   9          HB2       PRO   9 -14.519   4.256  13.075
   49   2HB   PRO   9          HB1       PRO   9 -13.614   2.738  12.935
   50   1HG   PRO   9          HG2       PRO   9 -12.616   5.460  13.631
   51   2HG   PRO   9          HG1       PRO   9 -11.953   3.876  14.068
   52   1HD   PRO   9          HD2       PRO   9 -10.973   5.584  12.032
   53   2HD   PRO   9          HD1       PRO   9 -10.535   3.879  12.267
   54    H    GLU  10           H        GLU  10 -12.755   6.315  10.532
   55    HA   GLU  10           HA       GLU  10 -15.524   7.393  10.283
   56   1HB   GLU  10          HB2       GLU  10 -14.293   9.627  10.280
   57   2HB   GLU  10          HB1       GLU  10 -14.197   8.709  11.782
   58   1HG   GLU  10          HG2       GLU  10 -11.970   8.180  11.483
   59   2HG   GLU  10          HG1       GLU  10 -12.088   8.226   9.723
   60    H    ASN  11           H        ASN  11 -12.742   6.509   8.444
   61    HA   ASN  11           HA       ASN  11 -12.728   8.166   6.239
   62   1HB   ASN  11          HB2       ASN  11 -11.575   5.800   6.745
   63   2HB   ASN  11          HB1       ASN  11 -12.837   5.244   5.645
   64   1HD2  ASN  11          1HD2      ASN  11  -9.720   5.859   5.429
   65   2HD2  ASN  11          2HD2      ASN  11  -9.622   6.681   3.947
   66    HA   PRO  12           HA       PRO  12 -16.958   7.815   4.861
   67   1HB   PRO  12          HB2       PRO  12 -16.696   9.583   2.769
   68   2HB   PRO  12          HB1       PRO  12 -16.902  10.088   4.456
   69   1HG   PRO  12          HG2       PRO  12 -14.439  10.123   2.774
   70   2HG   PRO  12          HG1       PRO  12 -14.872  11.149   4.152
   71   1HD   PRO  12          HD2       PRO  12 -13.087   8.960   4.225
   72   2HD   PRO  12          HD1       PRO  12 -13.807   9.763   5.637
   73    H    CYS  13           H        CYS  13 -14.134   6.772   3.347
   74    HA   CYS  13           HA       CYS  13 -15.470   5.909   0.852
   75   1HB   CYS  13          HB2       CYS  13 -12.719   6.338   1.743
   76   2HB   CYS  13          HB1       CYS  13 -12.915   4.808   0.888
   77    H    CYS  14           H        CYS  14 -15.277   4.774   3.964
   78    HA   CYS  14           HA       CYS  14 -15.862   2.026   3.042
   79   1HB   CYS  14          HB2       CYS  14 -14.261   0.963   4.456
   80   2HB   CYS  14          HB1       CYS  14 -13.377   2.213   3.584
   81    H    ASP  15           H        ASP  15 -17.239   0.914   4.391
   82    HA   ASP  15           HA       ASP  15 -18.811   2.508   6.239
   83   1HB   ASP  15          HB2       ASP  15 -19.434   0.435   4.683
   84   2HB   ASP  15          HB1       ASP  15 -19.016  -0.469   6.135
   85    H    ALA  16           H        ALA  16 -18.618   2.590   8.446
   86    HA   ALA  16           HA       ALA  16 -16.318   1.282   9.695
   87   1HB   ALA  16          HB1       ALA  16 -18.129   2.458  11.606
   88   2HB   ALA  16          HB2       ALA  16 -17.923   3.553  10.238
   89   3HB   ALA  16          HB3       ALA  16 -16.515   2.996  11.142
   90    H    ALA  17           H        ALA  17 -19.735   0.690   9.385
   91    HA   ALA  17           HA       ALA  17 -20.064  -1.024  11.669
   92   1HB   ALA  17          HB1       ALA  17 -21.796  -1.991   9.707
   93   2HB   ALA  17          HB2       ALA  17 -21.600  -0.287   9.296
   94   3HB   ALA  17          HB3       ALA  17 -22.174  -0.747  10.899
   95    H    THR  18           H        THR  18 -19.170  -1.655   8.280
   96    HA   THR  18           HA       THR  18 -18.504  -4.455   9.068
   97    HB   THR  18           HB       THR  18 -19.962  -4.512   7.200
   98    HG1  THR  18           HG1      THR  18 -18.674  -5.732   6.104
   99   1HG2  THR  18          1HG2      THR  18 -18.305  -2.198   6.191
  100   2HG2  THR  18          2HG2      THR  18 -20.035  -2.231   6.533
  101   3HG2  THR  18          3HG2      THR  18 -19.395  -3.099   5.137
  102    H    CYS  19           H        CYS  19 -17.045  -1.498   8.742
  103    HA   CYS  19           HA       CYS  19 -14.800  -0.851   8.489
  104   1HB   CYS  19          HB2       CYS  19 -14.480  -2.584  10.225
  105   2HB   CYS  19          HB1       CYS  19 -14.364  -3.817   8.972
  106    H    LYS  20           H        LYS  20 -16.420  -1.851   6.143
  107    HA   LYS  20           HA       LYS  20 -14.101  -2.568   4.391
  108   1HB   LYS  20          HB2       LYS  20 -16.910  -3.600   4.469
  109   2HB   LYS  20          HB1       LYS  20 -16.075  -3.525   2.917
  110   1HG   LYS  20          HG2       LYS  20 -14.199  -4.598   4.708
  111   2HG   LYS  20          HG1       LYS  20 -15.720  -5.405   5.094
  112   1HD   LYS  20          HD2       LYS  20 -15.169  -6.764   3.352
  113   2HD   LYS  20          HD1       LYS  20 -15.792  -5.441   2.365
  114   1HE   LYS  20          HE2       LYS  20 -13.657  -5.858   1.450
  115   2HE   LYS  20          HE1       LYS  20 -13.395  -4.473   2.509
  116   1HZ   LYS  20          HZ1       LYS  20 -11.699  -5.921   3.076
  117   2HZ   LYS  20          HZ2       LYS  20 -12.684  -7.300   2.955
  118   3HZ   LYS  20          HZ3       LYS  20 -12.866  -6.236   4.266
  119    H    LEU  21           H        LEU  21 -14.849  -2.045   1.956
  120    HA   LEU  21           HA       LEU  21 -15.157   0.823   1.852
  121   1HB   LEU  21          HB2       LEU  21 -14.938  -1.378  -0.161
  122   2HB   LEU  21          HB1       LEU  21 -15.514   0.201  -0.697
  123    HG   LEU  21           HG       LEU  21 -13.178   0.371   1.067
  124   1HD1  LEU  21          1HD1      LEU  21 -13.130  -1.746  -0.754
  125   2HD1  LEU  21          2HD1      LEU  21 -11.728  -0.994   0.010
  126   3HD1  LEU  21          3HD1      LEU  21 -12.269  -0.445  -1.577
  127   1HD2  LEU  21          1HD2      LEU  21 -14.441   1.800  -1.043
  128   2HD2  LEU  21          2HD2      LEU  21 -12.812   1.402  -1.594
  129   3HD2  LEU  21          3HD2      LEU  21 -13.041   2.298  -0.092
  130    H    ARG  22           H        ARG  22 -16.988   2.023   1.571
  131    HA   ARG  22           HA       ARG  22 -19.569   0.618   1.657
  132   1HB   ARG  22          HB2       ARG  22 -18.603   3.079   2.628
  133   2HB   ARG  22          HB1       ARG  22 -19.799   3.487   1.396
  134   1HG   ARG  22          HG2       ARG  22 -21.027   1.416   2.731
  135   2HG   ARG  22          HG1       ARG  22 -20.178   2.247   4.035
  136   1HD   ARG  22          HD2       ARG  22 -21.160   4.415   3.114
  137   2HD   ARG  22          HD1       ARG  22 -22.198   3.406   2.106
  138    HE   ARG  22           HE       ARG  22 -23.359   2.688   4.079
  139   1HH1  ARG  22          1HH1      ARG  22 -20.340   3.900   5.039
  140   2HH1  ARG  22          2HH1      ARG  22 -20.906   4.574   6.531
  141   1HH2  ARG  22          1HH2      ARG  22 -24.245   3.907   5.868
  142   2HH2  ARG  22          2HH2      ARG  22 -23.119   4.579   7.000
  143    HA   PRO  23           HA       PRO  23 -20.116   2.958  -2.459
  144   1HB   PRO  23          HB2       PRO  23 -17.974   4.384  -3.429
  145   2HB   PRO  23          HB1       PRO  23 -19.202   5.071  -2.351
  146   1HG   PRO  23          HG2       PRO  23 -16.397   4.285  -1.737
  147   2HG   PRO  23          HG1       PRO  23 -17.433   5.472  -0.926
  148   1HD   PRO  23          HD2       PRO  23 -16.858   2.847  -0.020
  149   2HD   PRO  23          HD1       PRO  23 -18.099   3.937   0.635
  150    H    GLY  24           H        GLY  24 -18.510   3.093  -4.762
  151   1HA   GLY  24          HA2       GLY  24 -17.770   0.250  -5.059
  152   2HA   GLY  24          HA1       GLY  24 -17.937   1.416  -6.371
  153    H    ALA  25           H        ALA  25 -16.118   2.515  -3.670
  154    HA   ALA  25           HA       ALA  25 -13.730   2.834  -5.250
  155   1HB   ALA  25          HB1       ALA  25 -13.479   4.340  -3.580
  156   2HB   ALA  25          HB2       ALA  25 -12.943   2.991  -2.578
  157   3HB   ALA  25          HB3       ALA  25 -14.633   3.494  -2.550
  158    H    GLN  26           H        GLN  26 -12.067   1.401  -5.562
  159    HA   GLN  26           HA       GLN  26 -12.300  -1.308  -4.571
  160   1HB   GLN  26          HB2       GLN  26 -10.673   0.143  -6.486
  161   2HB   GLN  26          HB1       GLN  26  -9.676  -0.937  -5.510
  162   1HG   GLN  26          HG2       GLN  26 -10.383  -2.638  -6.808
  163   2HG   GLN  26          HG1       GLN  26 -11.992  -2.415  -6.117
  164   1HE2  GLN  26          1HE2      GLN  26  -9.935  -1.589  -8.896
  165   2HE2  GLN  26          2HE2      GLN  26 -11.202  -1.053  -9.891
  166    H    CYS  27           H        CYS  27 -11.190   1.513  -3.129
  167    HA   CYS  27           HA       CYS  27 -10.179   0.106  -0.825
  168   1HB   CYS  27          HB2       CYS  27  -7.842   0.921  -0.936
  169   2HB   CYS  27          HB1       CYS  27  -8.205  -0.185  -2.260
  170    H    GLY  28           H        GLY  28  -9.796   1.569   0.938
  171   1HA   GLY  28          HA2       GLY  28 -10.951   4.266   0.453
  172   2HA   GLY  28          HA1       GLY  28 -10.859   3.467   2.020
  173    H    GLU  29           H        GLU  29  -8.017   2.638   1.330
  174    HA   GLU  29           HA       GLU  29  -6.504   5.098   1.080
  175   1HB   GLU  29          HB2       GLU  29  -5.724   5.304   3.339
  176   2HB   GLU  29          HB1       GLU  29  -7.483   5.240   3.413
  177   1HG   GLU  29          HG2       GLU  29  -7.236   3.542   4.880
  178   2HG   GLU  29          HG1       GLU  29  -6.724   2.565   3.506
  179    H    GLY  30           H        GLY  30  -4.100   4.593   1.736
  180   1HA   GLY  30          HA2       GLY  30  -2.862   2.243   2.192
  181   2HA   GLY  30          HA1       GLY  30  -3.463   1.961   0.557
  182    H    LEU  31           H        LEU  31  -0.797   1.879   0.738
  183    HA   LEU  31           HA       LEU  31   0.429   4.513   0.403
  184   1HB   LEU  31          HB2       LEU  31   1.426   1.675   0.082
  185   2HB   LEU  31          HB1       LEU  31   2.425   3.068  -0.333
  186    HG   LEU  31           HG       LEU  31   1.393   3.713   2.169
  187   1HD1  LEU  31          1HD1      LEU  31   1.288   1.858   3.499
  188   2HD1  LEU  31          2HD1      LEU  31   2.572   1.031   2.619
  189   3HD1  LEU  31          3HD1      LEU  31   0.929   1.041   1.978
  190   1HD2  LEU  31          1HD2      LEU  31   3.606   4.297   1.827
  191   2HD2  LEU  31          2HD2      LEU  31   4.002   2.756   1.066
  192   3HD2  LEU  31          3HD2      LEU  31   3.838   2.857   2.819
  193    H    CYS  32           H        CYS  32  -1.160   2.226  -1.637
  194    HA   CYS  32           HA       CYS  32  -0.344   3.861  -3.996
  195   1HB   CYS  32          HB2       CYS  32  -0.728   0.874  -4.162
  196   2HB   CYS  32          HB1       CYS  32   0.055   1.947  -5.325
  197    H    CYS  33           H        CYS  33  -2.587   4.674  -3.080
  198    HA   CYS  33           HA       CYS  33  -4.641   3.448  -4.828
  199   1HB   CYS  33          HB2       CYS  33  -4.638   3.302  -1.913
  200   2HB   CYS  33          HB1       CYS  33  -6.075   4.117  -2.526
  201    H    GLU  34           H        GLU  34  -5.413   5.111  -6.024
  202    HA   GLU  34           HA       GLU  34  -5.434   7.828  -4.782
  203   1HB   GLU  34          HB2       GLU  34  -3.946   7.754  -6.697
  204   2HB   GLU  34          HB1       GLU  34  -5.190   6.990  -7.686
  205   1HG   GLU  34          HG2       GLU  34  -6.166   8.973  -8.152
  206   2HG   GLU  34          HG1       GLU  34  -6.136   9.462  -6.457
  207    H    GLN  35           H        GLN  35  -7.395   8.837  -4.621
  208    HA   GLN  35           HA       GLN  35  -9.700   9.195  -4.837
  209   1HB   GLN  35          HB2       GLN  35  -8.880   8.027  -7.423
  210   2HB   GLN  35          HB1       GLN  35 -10.589   7.831  -7.035
  211   1HG   GLN  35          HG2       GLN  35 -10.163  10.438  -6.305
  212   2HG   GLN  35          HG1       GLN  35  -9.081  10.280  -7.690
  213   1HE2  GLN  35          1HE2      GLN  35 -12.489   9.699  -6.706
  214   2HE2  GLN  35          2HE2      GLN  35 -13.132   9.896  -8.265
  215    H    CYS  36           H        CYS  36  -8.647   6.949  -3.314
  216    HA   CYS  36           HA       CYS  36  -9.475   5.075  -2.176
  217   1HB   CYS  36          HB2       CYS  36 -12.004   6.154  -3.430
  218   2HB   CYS  36          HB1       CYS  36 -12.004   4.725  -2.400
  219    H    LYS  37           H        LYS  37  -8.503   4.920  -5.032
  220    HA   LYS  37           HA       LYS  37  -9.790   2.297  -5.668
  221   1HB   LYS  37          HB2       LYS  37  -9.783   4.652  -7.265
  222   2HB   LYS  37          HB1       LYS  37  -8.698   3.496  -8.038
  223   1HG   LYS  37          HG2       LYS  37 -10.424   2.213  -8.705
  224   2HG   LYS  37          HG1       LYS  37 -11.095   2.175  -7.074
  225   1HD   LYS  37          HD2       LYS  37 -12.500   3.952  -7.458
  226   2HD   LYS  37          HD1       LYS  37 -11.386   4.723  -8.589
  227   1HE   LYS  37          HE2       LYS  37 -12.019   2.406  -9.922
  228   2HE   LYS  37          HE1       LYS  37 -13.538   2.780  -9.106
  229   1HZ   LYS  37          HZ1       LYS  37 -12.316   5.100 -10.239
  230   2HZ   LYS  37          HZ2       LYS  37 -13.892   4.499 -10.443
  231   3HZ   LYS  37          HZ3       LYS  37 -12.625   3.917 -11.414
  232    H    PHE  38           H        PHE  38  -8.318   0.851  -6.928
  233    HA   PHE  38           HA       PHE  38  -5.701   0.744  -5.724
  234   1HB   PHE  38          HB2       PHE  38  -6.972  -0.753  -8.026
  235   2HB   PHE  38          HB1       PHE  38  -5.337  -1.091  -7.458
  236    HD1  PHE  38           HD1      PHE  38  -5.630  -0.705  -4.539
  237    HD2  PHE  38           HD2      PHE  38  -8.233  -2.630  -7.361
  238    HE1  PHE  38           HE1      PHE  38  -6.555  -2.115  -2.721
  239    HE2  PHE  38           HE2      PHE  38  -9.160  -4.041  -5.543
  240    HZ   PHE  38           HZ       PHE  38  -8.321  -3.783  -3.223
  241    H    SER  39           H        SER  39  -4.074   2.120  -6.285
  242    HA   SER  39           HA       SER  39  -4.009   3.756  -8.591
  243   1HB   SER  39          HB2       SER  39  -2.254   3.156  -6.393
  244   2HB   SER  39          HB1       SER  39  -1.320   3.145  -7.886
  245    HG   SER  39           HG       SER  39  -3.196   5.183  -7.467
  246    H    ARG  40           H        ARG  40  -1.588   3.327  -9.894
  247    HA   ARG  40           HA       ARG  40  -2.136   0.737 -11.284
  248   1HB   ARG  40          HB2       ARG  40  -1.154   3.415 -12.242
  249   2HB   ARG  40          HB1       ARG  40  -0.735   1.957 -13.142
  250   1HG   ARG  40          HG2       ARG  40  -3.355   1.487 -12.830
  251   2HG   ARG  40          HG1       ARG  40  -3.395   3.249 -12.759
  252   1HD   ARG  40          HD2       ARG  40  -2.706   3.493 -14.942
  253   2HD   ARG  40          HD1       ARG  40  -1.755   2.007 -14.917
  254    HE   ARG  40           HE       ARG  40  -4.625   1.520 -14.741
  255   1HH1  ARG  40          1HH1      ARG  40  -4.428   3.099 -17.225
  256   2HH1  ARG  40          2HH1      ARG  40  -4.028   1.906 -18.414
  257   1HH2  ARG  40          1HH2      ARG  40  -3.021  -0.460 -16.086
  258   2HH2  ARG  40          2HH2      ARG  40  -3.229  -0.110 -17.769
  259    H    ALA  41           H        ALA  41  -0.206  -0.428 -12.081
  260    HA   ALA  41           HA       ALA  41   1.804  -0.739 -10.091
  261   1HB   ALA  41          HB1       ALA  41   2.604  -2.417 -11.432
  262   2HB   ALA  41          HB2       ALA  41   2.536  -1.424 -12.889
  263   3HB   ALA  41          HB3       ALA  41   1.069  -2.180 -12.268
  264    H    GLY  42           H        GLY  42   4.225  -0.415 -10.611
  265   1HA   GLY  42          HA2       GLY  42   5.979   1.064 -11.137
  266   2HA   GLY  42          HA1       GLY  42   4.945   1.765 -12.375
  267    H    LYS  43           H        LYS  43   3.774   1.479  -9.111
  268    HA   LYS  43           HA       LYS  43   3.748   4.452  -8.944
  269   1HB   LYS  43          HB2       LYS  43   1.594   3.313  -8.607
  270   2HB   LYS  43          HB1       LYS  43   2.290   2.367  -7.292
  271   1HG   LYS  43          HG2       LYS  43   0.959   4.407  -6.565
  272   2HG   LYS  43          HG1       LYS  43   2.604   4.320  -5.935
  273   1HD   LYS  43          HD2       LYS  43   3.266   6.161  -7.083
  274   2HD   LYS  43          HD1       LYS  43   2.406   5.669  -8.542
  275   1HE   LYS  43          HE2       LYS  43   0.274   6.410  -7.530
  276   2HE   LYS  43          HE1       LYS  43   1.147   6.929  -6.087
  277   1HZ   LYS  43          HZ1       LYS  43   1.161   8.870  -7.219
  278   2HZ   LYS  43          HZ2       LYS  43   1.060   8.129  -8.744
  279   3HZ   LYS  43          HZ3       LYS  43   2.546   8.193  -7.924
  280    H    ILE  44           H        ILE  44   5.238   5.436  -7.698
  281    HA   ILE  44           HA       ILE  44   7.090   3.911  -6.098
  282    HB   ILE  44           HB       ILE  44   6.674   6.771  -6.797
  283   1HG1  ILE  44          2HG1      ILE  44   8.212   5.273  -8.011
  284   2HG1  ILE  44          1HG1      ILE  44   9.099   6.582  -7.225
  285   1HG2  ILE  44          1HG2      ILE  44   6.875   7.206  -4.485
  286   2HG2  ILE  44          2HG2      ILE  44   8.537   7.305  -5.065
  287   3HG2  ILE  44          3HG2      ILE  44   7.977   5.852  -4.236
  288   1HD1  ILE  44          1HD1      ILE  44   8.876   4.510  -5.310
  289   2HD1  ILE  44          2HD1      ILE  44  10.336   5.039  -6.146
  290   3HD1  ILE  44          3HD1      ILE  44   9.357   3.738  -6.822
  291    H    CYS  45           H        CYS  45   6.649   3.094  -4.146
  292    HA   CYS  45           HA       CYS  45   4.691   4.536  -2.408
  293   1HB   CYS  45          HB2       CYS  45   4.510   2.240  -1.274
  294   2HB   CYS  45          HB1       CYS  45   3.782   2.405  -2.870
  295    H    ARG  46           H        ARG  46   7.940   3.785  -2.803
  296    HA   ARG  46           HA       ARG  46   8.586   4.825  -0.155
  297   1HB   ARG  46          HB2       ARG  46   8.569   1.951  -0.660
  298   2HB   ARG  46          HB1       ARG  46  10.165   2.523  -0.170
  299   1HG   ARG  46          HG2       ARG  46   9.155   3.648   1.788
  300   2HG   ARG  46          HG1       ARG  46   7.567   3.049   1.305
  301   1HD   ARG  46          HD2       ARG  46   8.438   0.716   1.477
  302   2HD   ARG  46          HD1       ARG  46   9.967   1.363   2.075
  303    HE   ARG  46           HE       ARG  46   8.309   2.452   3.873
  304   1HH1  ARG  46          1HH1      ARG  46   6.761  -0.022   2.388
  305   2HH1  ARG  46          2HH1      ARG  46   6.685  -1.081   3.755
  306   1HH2  ARG  46          1HH2      ARG  46   8.867   0.809   5.677
  307   2HH2  ARG  46          2HH2      ARG  46   7.876  -0.610   5.618
  308    H    ILE  47           H        ILE  47  10.495   5.931  -0.307
  309    HA   ILE  47           HA       ILE  47  12.120   5.437  -2.762
  310    HB   ILE  47           HB       ILE  47  10.901   7.809  -1.753
  311   1HG1  ILE  47          2HG1      ILE  47  12.777   7.185  -4.042
  312   2HG1  ILE  47          1HG1      ILE  47  11.020   7.327  -4.090
  313   1HG2  ILE  47          1HG2      ILE  47  12.758   9.355  -1.566
  314   2HG2  ILE  47          2HG2      ILE  47  13.918   8.066  -1.887
  315   3HG2  ILE  47          3HG2      ILE  47  12.993   8.065  -0.386
  316   1HD1  ILE  47          1HD1      ILE  47  11.255   9.505  -4.589
  317   2HD1  ILE  47          2HD1      ILE  47  13.004   9.397  -4.387
  318   3HD1  ILE  47          3HD1      ILE  47  11.976   9.753  -2.999
  319    HA   PRO  48           HA       PRO  48  15.447   4.429  -0.056
  320   1HB   PRO  48          HB2       PRO  48  17.473   4.646  -1.903
  321   2HB   PRO  48          HB1       PRO  48  16.351   3.276  -1.841
  322   1HG   PRO  48          HG2       PRO  48  16.440   5.542  -3.778
  323   2HG   PRO  48          HG1       PRO  48  15.810   3.901  -3.999
  324   1HD   PRO  48          HD2       PRO  48  14.262   6.221  -3.525
  325   2HD   PRO  48          HD1       PRO  48  13.687   4.544  -3.424
  326    H    ARG  49           H        ARG  49  17.816   5.415   0.332
  327    HA   ARG  49           HA       ARG  49  17.701   8.382   0.059
  328   1HB   ARG  49          HB2       ARG  49  17.120   7.117   2.427
  329   2HB   ARG  49          HB1       ARG  49  18.852   7.409   2.591
  330   1HG   ARG  49          HG2       ARG  49  18.206   9.478   3.287
  331   2HG   ARG  49          HG1       ARG  49  18.014   9.799   1.564
  332   1HD   ARG  49          HD2       ARG  49  15.849  10.259   2.023
  333   2HD   ARG  49          HD1       ARG  49  15.640   8.523   2.255
  334    HE   ARG  49           HE       ARG  49  16.407  10.294   4.538
  335   1HH1  ARG  49          1HH2      ARG  49  13.581   9.292   3.233
  336   2HH1  ARG  49          2HH2      ARG  49  13.063   8.308   4.560
  337   1HH2  ARG  49          1HH1      ARG  49  16.127   8.413   6.179
  338   2HH2  ARG  49          2HH1      ARG  49  14.504   7.812   6.229
  339    H    GLY  50           H        GLY  50  19.335   5.739  -0.780
  340   1HA   GLY  50          HA2       GLY  50  21.601   6.648  -1.821
  341   2HA   GLY  50          HA1       GLY  50  22.041   6.763  -0.117
  342    H    GLU  51           H        GLU  51  22.298   4.795  -2.751
  343    HA   GLU  51           HA       GLU  51  23.037   2.580  -2.977
  344   1HB   GLU  51          HB2       GLU  51  23.707   3.338  -0.245
  345   2HB   GLU  51          HB1       GLU  51  23.336   1.618  -0.370
  346   1HG   GLU  51          HG2       GLU  51  24.867   1.906  -2.579
  347   2HG   GLU  51          HG1       GLU  51  25.576   3.162  -1.563
  348    H    MET  52           H        MET  52  20.156   3.327  -2.489
  349    HA   MET  52           HA       MET  52  19.244   0.567  -1.869
  350   1HB   MET  52          HB2       MET  52  17.953   3.064  -0.730
  351   2HB   MET  52          HB1       MET  52  17.416   1.403  -0.476
  352   1HG   MET  52          HG2       MET  52  19.986   1.156   0.309
  353   2HG   MET  52          HG1       MET  52  19.719   2.851   0.719
  354   1HE   MET  52          HE1       MET  52  20.516   0.646   2.583
  355   2HE   MET  52          HE2       MET  52  19.485  -0.690   2.074
  356   3HE   MET  52          HE3       MET  52  19.296  -0.004   3.686
  357    HA   PRO  53           HA       PRO  53  16.836   1.348  -5.477
  358   1HB   PRO  53          HB2       PRO  53  15.115  -0.781  -5.227
  359   2HB   PRO  53          HB1       PRO  53  16.793  -0.939  -5.775
  360   1HG   PRO  53          HG2       PRO  53  15.605  -1.647  -3.129
  361   2HG   PRO  53          HG1       PRO  53  17.013  -2.342  -3.949
  362   1HD   PRO  53          HD2       PRO  53  17.103  -0.480  -1.829
  363   2HD   PRO  53          HD1       PRO  53  18.454  -0.900  -2.905
  364    H    ASP  54           H        ASP  54  14.237   1.180  -5.955
  365    HA   ASP  54           HA       ASP  54  12.919   2.672  -3.720
  366   1HB   ASP  54          HB2       ASP  54  12.293   2.876  -6.679
  367   2HB   ASP  54          HB1       ASP  54  11.668   3.901  -5.387
  368    H    ASP  55           H        ASP  55  10.446   2.438  -3.818
  369    HA   ASP  55           HA       ASP  55   9.818  -0.426  -4.373
  370   1HB   ASP  55          HB2       ASP  55   8.446   1.565  -2.540
  371   2HB   ASP  55          HB1       ASP  55   7.961  -0.117  -2.762
  372    H    ARG  56           H        ARG  56   8.320  -0.909  -5.903
  373    HA   ARG  56           HA       ARG  56   6.702   1.341  -7.047
  374   1HB   ARG  56          HB2       ARG  56   8.638  -0.280  -8.300
  375   2HB   ARG  56          HB1       ARG  56   7.081  -0.900  -8.849
  376   1HG   ARG  56          HG2       ARG  56   7.653   0.824 -10.387
  377   2HG   ARG  56          HG1       ARG  56   6.436   1.525  -9.322
  378   1HD   ARG  56          HD2       ARG  56   8.827   2.705  -9.896
  379   2HD   ARG  56          HD1       ARG  56   7.898   3.017  -8.433
  380    HE   ARG  56           HE       ARG  56   9.352   1.279  -7.319
  381   1HH1  ARG  56          1HH1      ARG  56  10.606   3.725  -9.135
  382   2HH1  ARG  56          2HH1      ARG  56  12.153   2.999  -9.419
  383   1HH2  ARG  56          1HH2      ARG  56  11.217  -0.104  -8.180
  384   2HH2  ARG  56          2HH2      ARG  56  12.498   0.828  -8.879
  385    H    CYS  57           H        CYS  57   4.555   1.028  -6.708
  386    HA   CYS  57           HA       CYS  57   3.519  -1.468  -5.685
  387   1HB   CYS  57          HB2       CYS  57   1.782   0.628  -6.962
  388   2HB   CYS  57          HB1       CYS  57   1.441  -0.393  -5.567
  389    H    THR  58           H        THR  58   1.868  -2.780  -6.776
  390    HA   THR  58           HA       THR  58   2.590  -3.247  -9.592
  391    HB   THR  58           HB       THR  58   1.547  -5.340  -9.358
  392    HG1  THR  58           HG1      THR  58  -0.152  -5.681  -8.068
  393   1HG2  THR  58          1HG2      THR  58   3.253  -4.435  -7.302
  394   2HG2  THR  58          2HG2      THR  58   2.959  -6.106  -7.786
  395   3HG2  THR  58          3HG2      THR  58   1.991  -5.375  -6.507
  396    H    GLY  59           H        GLY  59   0.354  -1.354  -7.966
  397   1HA   GLY  59          HA2       GLY  59  -1.294   0.022  -9.032
  398   2HA   GLY  59          HA1       GLY  59  -1.223  -1.039 -10.441
  399    H    GLN  60           H        GLN  60  -1.632  -3.514  -9.258
  400    HA   GLN  60           HA       GLN  60  -4.508  -3.418  -8.767
  401   1HB   GLN  60          HB2       GLN  60  -2.638  -5.794  -8.543
  402   2HB   GLN  60          HB1       GLN  60  -4.386  -5.835  -8.774
  403   1HG   GLN  60          HG2       GLN  60  -4.200  -4.894 -10.978
  404   2HG   GLN  60          HG1       GLN  60  -2.489  -4.537 -10.744
  405   1HE2  GLN  60          1HE2      GLN  60  -3.762  -7.568  -9.512
  406   2HE2  GLN  60          2HE2      GLN  60  -3.042  -8.566 -10.679
  407    H    SER  61           H        SER  61  -1.666  -3.353  -6.834
  408    HA   SER  61           HA       SER  61  -3.184  -4.247  -4.428
  409   1HB   SER  61          HB2       SER  61  -0.484  -4.563  -5.258
  410   2HB   SER  61          HB1       SER  61  -0.467  -3.519  -3.840
  411    HG   SER  61           HG       SER  61  -0.598  -6.039  -3.743
  412    H    ALA  62           H        ALA  62  -3.691  -2.809  -2.798
  413    HA   ALA  62           HA       ALA  62  -3.394   0.047  -3.418
  414   1HB   ALA  62          HB1       ALA  62  -4.779  -1.483  -1.208
  415   2HB   ALA  62          HB2       ALA  62  -5.518  -0.563  -2.518
  416   3HB   ALA  62          HB3       ALA  62  -4.680   0.278  -1.213
  417    H    ASP  63           H        ASP  63  -2.065  -2.307  -1.155
  418    HA   ASP  63           HA       ASP  63  -0.606  -0.220   0.332
  419   1HB   ASP  63          HB2       ASP  63  -0.639  -3.246   0.518
  420   2HB   ASP  63          HB1       ASP  63   0.366  -2.218   1.541
  421    H    CYS  64           H        CYS  64   1.882  -1.134   0.726
  422    HA   CYS  64           HA       CYS  64   2.987  -1.496  -2.027
  423   1HB   CYS  64          HB2       CYS  64   3.499   0.735  -1.311
  424   2HB   CYS  64          HB1       CYS  64   4.072   0.177   0.253
  425    HA   PRO  65           HA       PRO  65   4.516  -5.079   0.179
  426   1HB   PRO  65          HB2       PRO  65   4.332  -6.656  -2.050
  427   2HB   PRO  65          HB1       PRO  65   2.980  -6.381  -0.951
  428   1HG   PRO  65          HG2       PRO  65   3.411  -5.370  -3.699
  429   2HG   PRO  65          HG1       PRO  65   1.904  -5.485  -2.774
  430   1HD   PRO  65          HD2       PRO  65   3.491  -3.141  -3.221
  431   2HD   PRO  65          HD1       PRO  65   2.040  -3.274  -2.209
  432    H    ARG  66           H        ARG  66   6.721  -4.413   0.357
  433    HA   ARG  66           HA       ARG  66   8.433  -5.194  -1.935
  434   1HB   ARG  66          HB2       ARG  66   8.018  -2.451  -0.962
  435   2HB   ARG  66          HB1       ARG  66   9.715  -2.925  -1.024
  436   1HG   ARG  66          HG2       ARG  66   7.746  -3.205  -3.315
  437   2HG   ARG  66          HG1       ARG  66   8.963  -1.935  -3.171
  438   1HD   ARG  66          HD2       ARG  66  10.539  -3.295  -4.023
  439   2HD   ARG  66          HD1       ARG  66  10.210  -4.501  -2.780
  440    HE   ARG  66           HE       ARG  66   8.171  -4.998  -4.472
  441   1HH1  ARG  66          1HH1      ARG  66   9.473  -3.574  -6.710
  442   2HH1  ARG  66          2HH1      ARG  66  10.439  -4.810  -7.446
  443   1HH2  ARG  66          1HH2      ARG  66  10.285  -6.933  -4.708
  444   2HH2  ARG  66          2HH2      ARG  66  10.895  -6.713  -6.314
  445    H    TYR  67           H        TYR  67  10.884  -4.530  -0.945
  446    HA   TYR  67           HA       TYR  67  11.255  -6.473   1.158
  447   1HB   TYR  67          HB2       TYR  67  13.236  -4.358   0.284
  448   2HB   TYR  67          HB1       TYR  67  13.589  -5.923   1.017
  449    HD1  TYR  67           HD2      TYR  67  12.341  -7.960  -0.323
  450    HD2  TYR  67           HD1      TYR  67  13.609  -4.216  -2.004
  451    HE1  TYR  67           HE2      TYR  67  12.423  -8.998  -2.573
  452    HE2  TYR  67           HE1      TYR  67  13.690  -5.254  -4.253
  453    HH   TYR  67           HH       TYR  67  12.591  -8.578  -4.785
  454    H    HIS  68           H        HIS  68   9.628  -5.332   2.638
  455    HA   HIS  68           HA       HIS  68  11.141  -3.741   4.591
  456   1HB   HIS  68          HB2       HIS  68   8.703  -2.629   3.169
  457   2HB   HIS  68          HB1       HIS  68   9.375  -1.950   4.652
  458    HD1  HIS  68           HD1      HIS  68  11.860  -1.001   4.493
  459    HD2  HIS  68           HD2      HIS  68  10.088  -1.930   0.837
  460    HE1  HIS  68           HE1      HIS  68  13.265   0.123   2.710
  Start of MODEL    4
    1   1H    GLY   1          HT1       GLY   1 -13.612 -14.028   4.985
    2   2H    GLY   1          HT2       GLY   1 -12.719 -15.467   4.857
    3   3H    GLY   1          HT3       GLY   1 -14.184 -15.295   4.015
    4   1HA   GLY   1          HA1       GLY   1 -11.743 -14.865   2.961
    5   2HA   GLY   1          HA2       GLY   1 -13.249 -14.206   2.322
    6    H    LYS   2           H        LYS   2 -13.704 -12.001   2.654
    7    HA   LYS   2           HA       LYS   2 -11.555 -10.437   4.028
    8   1HB   LYS   2          HB2       LYS   2 -12.358 -10.350   1.284
    9   2HB   LYS   2          HB1       LYS   2 -12.843  -8.834   2.043
   10   1HG   LYS   2          HG2       LYS   2 -10.495  -8.718   3.027
   11   2HG   LYS   2          HG1       LYS   2 -10.074 -10.050   1.951
   12   1HD   LYS   2          HD2       LYS   2 -11.233  -8.445   0.146
   13   2HD   LYS   2          HD1       LYS   2 -10.712  -7.210   1.292
   14   1HE   LYS   2          HE2       LYS   2  -8.542  -7.453   0.710
   15   2HE   LYS   2          HE1       LYS   2  -8.638  -9.211   0.812
   16   1HZ   LYS   2          HZ1       LYS   2  -9.862  -9.084  -1.377
   17   2HZ   LYS   2          HZ2       LYS   2  -8.202  -8.729  -1.423
   18   3HZ   LYS   2          HZ3       LYS   2  -9.343  -7.473  -1.477
   19    H    GLU   3           H        GLU   3 -12.359  -9.284   5.708
   20    HA   GLU   3           HA       GLU   3 -15.248  -8.507   5.603
   21   1HB   GLU   3          HB2       GLU   3 -15.217  -8.669   8.099
   22   2HB   GLU   3          HB1       GLU   3 -14.911 -10.216   7.310
   23   1HG   GLU   3          HG2       GLU   3 -13.263 -10.078   9.009
   24   2HG   GLU   3          HG1       GLU   3 -12.411  -9.638   7.529
   25    H    CYS   4           H        CYS   4 -12.169  -7.311   5.452
   26    HA   CYS   4           HA       CYS   4 -13.121  -4.614   6.141
   27   1HB   CYS   4          HB2       CYS   4 -12.257  -5.316   8.300
   28   2HB   CYS   4          HB1       CYS   4 -10.771  -5.907   7.557
   29    H    ASP   5           H        ASP   5 -12.435  -3.346   4.490
   30    HA   ASP   5           HA       ASP   5 -10.010  -4.215   2.981
   31   1HB   ASP   5          HB2       ASP   5 -12.587  -3.406   2.132
   32   2HB   ASP   5          HB1       ASP   5 -11.486  -2.102   1.685
   33    H    CYS   6           H        CYS   6 -11.207  -1.792   5.096
   34    HA   CYS   6           HA       CYS   6  -8.849  -0.083   4.414
   35   1HB   CYS   6          HB2       CYS   6 -10.084   1.871   4.922
   36   2HB   CYS   6          HB1       CYS   6 -11.209   0.882   3.996
   37    H    SER   7           H        SER   7  -7.395   0.168   6.049
   38    HA   SER   7           HA       SER   7  -8.067  -1.020   8.675
   39   1HB   SER   7          HB2       SER   7  -5.787  -1.125   7.164
   40   2HB   SER   7          HB1       SER   7  -5.394   0.175   8.285
   41    HG   SER   7           HG       SER   7  -6.587  -2.176   9.247
   42    H    SER   8           H        SER   8  -9.091   1.673   7.698
   43    HA   SER   8           HA       SER   8  -8.158   3.213  10.078
   44   1HB   SER   8          HB2       SER   8  -8.120   4.001   7.221
   45   2HB   SER   8          HB1       SER   8  -8.728   5.217   8.341
   46    HG   SER   8           HG       SER   8  -6.665   5.561   8.637
   47    HA   PRO   9           HA       PRO   9 -12.624   3.222  10.481
   48   1HB   PRO   9          HB2       PRO   9 -12.619   4.230  13.039
   49   2HB   PRO   9          HB1       PRO   9 -12.340   2.522  12.658
   50   1HG   PRO   9          HG2       PRO   9 -10.375   4.605  13.493
   51   2HG   PRO   9          HG1       PRO   9 -10.308   2.848  13.710
   52   1HD   PRO   9          HD2       PRO   9  -8.901   4.326  11.751
   53   2HD   PRO   9          HD1       PRO   9  -9.121   2.562  11.769
   54    H    GLU  10           H        GLU  10 -10.403   5.883  10.780
   55    HA   GLU  10           HA       GLU  10 -12.563   7.893  10.913
   56   1HB   GLU  10          HB2       GLU  10  -9.543   8.068  10.852
   57   2HB   GLU  10          HB1       GLU  10 -10.575   9.495  10.756
   58   1HG   GLU  10          HG2       GLU  10 -10.860   9.468  12.987
   59   2HG   GLU  10          HG1       GLU  10 -11.513   7.831  12.895
   60    H    ASN  11           H        ASN  11 -12.291   6.074   8.575
   61    HA   ASN  11           HA       ASN  11 -11.837   8.152   6.475
   62   1HB   ASN  11          HB2       ASN  11 -10.139   6.575   6.084
   63   2HB   ASN  11          HB1       ASN  11 -11.161   5.218   6.552
   64   1HD2  ASN  11          1HD2      ASN  11 -11.207   3.995   4.629
   65   2HD2  ASN  11          2HD2      ASN  11 -11.733   4.599   3.135
   66    HA   PRO  12           HA       PRO  12 -16.156   7.290   5.762
   67   1HB   PRO  12          HB2       PRO  12 -16.465   9.155   3.767
   68   2HB   PRO  12          HB1       PRO  12 -16.433   9.564   5.492
   69   1HG   PRO  12          HG2       PRO  12 -14.332   9.996   3.424
   70   2HG   PRO  12          HG1       PRO  12 -14.617  10.875   4.935
   71   1HD   PRO  12          HD2       PRO  12 -12.627   8.897   4.501
   72   2HD   PRO  12          HD1       PRO  12 -13.112   9.574   6.070
   73    H    CYS  13           H        CYS  13 -13.624   7.225   3.332
   74    HA   CYS  13           HA       CYS  13 -15.127   6.284   1.110
   75   1HB   CYS  13          HB2       CYS  13 -12.332   6.526   1.848
   76   2HB   CYS  13          HB1       CYS  13 -12.624   5.026   0.966
   77    H    CYS  14           H        CYS  14 -14.466   4.752   4.092
   78    HA   CYS  14           HA       CYS  14 -15.409   2.188   2.905
   79   1HB   CYS  14          HB2       CYS  14 -13.822   0.897   4.094
   80   2HB   CYS  14          HB1       CYS  14 -12.892   2.236   3.431
   81    H    ASP  15           H        ASP  15 -16.955   1.134   4.099
   82    HA   ASP  15           HA       ASP  15 -18.274   2.633   6.203
   83   1HB   ASP  15          HB2       ASP  15 -19.282   0.971   4.449
   84   2HB   ASP  15          HB1       ASP  15 -18.826  -0.265   5.622
   85    H    ALA  16           H        ALA  16 -17.569   2.653   8.271
   86    HA   ALA  16           HA       ALA  16 -15.626   0.810   9.309
   87   1HB   ALA  16          HB1       ALA  16 -17.436   2.234  11.199
   88   2HB   ALA  16          HB2       ALA  16 -16.481   3.237  10.106
   89   3HB   ALA  16          HB3       ALA  16 -15.677   2.115  11.204
   90    H    ALA  17           H        ALA  17 -19.121   0.822   9.192
   91    HA   ALA  17           HA       ALA  17 -19.700  -1.043  11.250
   92   1HB   ALA  17          HB1       ALA  17 -21.514  -1.669   9.264
   93   2HB   ALA  17          HB2       ALA  17 -21.047  -0.021   8.844
   94   3HB   ALA  17          HB3       ALA  17 -21.712  -0.370  10.440
   95    H    THR  18           H        THR  18 -18.449  -1.501   7.990
   96    HA   THR  18           HA       THR  18 -18.201  -4.417   8.606
   97    HB   THR  18           HB       THR  18 -18.467  -4.877   6.215
   98    HG1  THR  18           HG1      THR  18 -18.602  -3.299   4.774
   99   1HG2  THR  18          1HG2      THR  18 -20.661  -3.026   7.179
  100   2HG2  THR  18          2HG2      THR  18 -20.484  -4.706   7.687
  101   3HG2  THR  18          3HG2      THR  18 -20.823  -4.325   5.998
  102    H    CYS  19           H        CYS  19 -16.504  -1.622   8.330
  103    HA   CYS  19           HA       CYS  19 -14.234  -1.153   7.957
  104   1HB   CYS  19          HB2       CYS  19 -14.248  -3.417   9.366
  105   2HB   CYS  19          HB1       CYS  19 -13.605  -4.077   7.863
  106    H    LYS  20           H        LYS  20 -16.161  -2.060   5.691
  107    HA   LYS  20           HA       LYS  20 -14.018  -2.704   3.704
  108   1HB   LYS  20          HB2       LYS  20 -16.995  -3.175   3.399
  109   2HB   LYS  20          HB1       LYS  20 -15.712  -3.739   2.328
  110   1HG   LYS  20          HG2       LYS  20 -15.115  -4.585   5.007
  111   2HG   LYS  20          HG1       LYS  20 -16.768  -5.060   4.615
  112   1HD   LYS  20          HD2       LYS  20 -14.401  -5.582   2.800
  113   2HD   LYS  20          HD1       LYS  20 -15.027  -6.760   3.955
  114   1HE   LYS  20          HE2       LYS  20 -17.332  -6.196   2.768
  115   2HE   LYS  20          HE1       LYS  20 -16.272  -5.728   1.438
  116   1HZ   LYS  20          HZ1       LYS  20 -15.798  -8.286   2.793
  117   2HZ   LYS  20          HZ2       LYS  20 -15.495  -7.845   1.181
  118   3HZ   LYS  20          HZ3       LYS  20 -17.082  -8.179   1.689
  119    H    LEU  21           H        LEU  21 -15.005  -1.939   1.379
  120    HA   LEU  21           HA       LEU  21 -15.054   0.966   1.579
  121   1HB   LEU  21          HB2       LEU  21 -15.037  -1.020  -0.672
  122   2HB   LEU  21          HB1       LEU  21 -15.410   0.674  -0.998
  123    HG   LEU  21           HG       LEU  21 -13.157   0.616   0.745
  124   1HD1  LEU  21          1HD1      LEU  21 -12.957  -1.752  -0.163
  125   2HD1  LEU  21          2HD1      LEU  21 -11.565  -0.713  -0.459
  126   3HD1  LEU  21          3HD1      LEU  21 -12.717  -1.033  -1.755
  127   1HD2  LEU  21          1HD2      LEU  21 -12.313   1.242  -1.863
  128   2HD2  LEU  21          2HD2      LEU  21 -12.872   2.378  -0.634
  129   3HD2  LEU  21          3HD2      LEU  21 -14.012   1.711  -1.802
  130    H    ARG  22           H        ARG  22 -16.821   2.271   1.493
  131    HA   ARG  22           HA       ARG  22 -19.467   0.997   1.434
  132   1HB   ARG  22          HB2       ARG  22 -19.613   2.598   3.050
  133   2HB   ARG  22          HB1       ARG  22 -18.350   3.588   2.335
  134   1HG   ARG  22          HG2       ARG  22 -19.894   4.521   0.726
  135   2HG   ARG  22          HG1       ARG  22 -21.150   3.372   1.189
  136   1HD   ARG  22          HD2       ARG  22 -21.561   4.438   3.228
  137   2HD   ARG  22          HD1       ARG  22 -19.967   5.191   3.267
  138    HE   ARG  22           HE       ARG  22 -20.827   6.651   1.352
  139   1HH1  ARG  22          1HH1      ARG  22 -22.113   6.950   4.213
  140   2HH1  ARG  22          2HH1      ARG  22 -23.754   7.257   3.752
  141   1HH2  ARG  22          1HH2      ARG  22 -23.301   6.238   0.468
  142   2HH2  ARG  22          2HH2      ARG  22 -24.427   6.852   1.634
  143    HA   PRO  23           HA       PRO  23 -19.934   3.798  -2.392
  144   1HB   PRO  23          HB2       PRO  23 -17.748   5.243  -3.220
  145   2HB   PRO  23          HB1       PRO  23 -18.945   5.852  -2.064
  146   1HG   PRO  23          HG2       PRO  23 -16.169   4.898  -1.560
  147   2HG   PRO  23          HG1       PRO  23 -17.152   6.036  -0.624
  148   1HD   PRO  23          HD2       PRO  23 -16.682   3.315   0.016
  149   2HD   PRO  23          HD1       PRO  23 -17.888   4.378   0.770
  150    H    GLY  24           H        GLY  24 -18.468   4.086  -4.710
  151   1HA   GLY  24          HA2       GLY  24 -17.775   1.292  -5.324
  152   2HA   GLY  24          HA1       GLY  24 -17.924   2.604  -6.493
  153    H    ALA  25           H        ALA  25 -15.934   2.478  -3.541
  154    HA   ALA  25           HA       ALA  25 -13.584   3.192  -5.205
  155   1HB   ALA  25          HB1       ALA  25 -13.477   4.623  -3.411
  156   2HB   ALA  25          HB2       ALA  25 -12.636   3.258  -2.676
  157   3HB   ALA  25          HB3       ALA  25 -14.349   3.518  -2.348
  158    H    GLN  26           H        GLN  26 -11.739   1.873  -5.304
  159    HA   GLN  26           HA       GLN  26 -12.166  -0.959  -4.709
  160   1HB   GLN  26          HB2       GLN  26 -10.323   0.644  -6.303
  161   2HB   GLN  26          HB1       GLN  26  -9.483  -0.621  -5.409
  162   1HG   GLN  26          HG2       GLN  26 -10.111  -1.923  -7.173
  163   2HG   GLN  26          HG1       GLN  26 -11.644  -2.003  -6.306
  164   1HE2  GLN  26          1HE2      GLN  26 -10.035   0.406  -8.478
  165   2HE2  GLN  26          2HE2      GLN  26 -11.412   0.674  -9.434
  166    H    CYS  27           H        CYS  27 -10.430   1.738  -3.301
  167    HA   CYS  27           HA       CYS  27  -9.836   0.050  -0.941
  168   1HB   CYS  27          HB2       CYS  27  -7.671  -0.136  -1.614
  169   2HB   CYS  27          HB1       CYS  27  -7.843   1.122  -2.828
  170    H    GLY  28           H        GLY  28  -9.795   1.274   1.001
  171   1HA   GLY  28          HA2       GLY  28 -10.939   3.999   0.714
  172   2HA   GLY  28          HA1       GLY  28 -10.996   3.017   2.176
  173    H    GLU  29           H        GLU  29  -8.040   2.362   1.603
  174    HA   GLU  29           HA       GLU  29  -6.636   4.880   1.899
  175   1HB   GLU  29          HB2       GLU  29  -6.038   4.718   4.218
  176   2HB   GLU  29          HB1       GLU  29  -7.793   4.586   4.137
  177   1HG   GLU  29          HG2       GLU  29  -7.505   2.711   5.384
  178   2HG   GLU  29          HG1       GLU  29  -7.028   1.966   3.857
  179    H    GLY  30           H        GLY  30  -4.331   4.541   1.951
  180   1HA   GLY  30          HA2       GLY  30  -2.862   2.269   2.425
  181   2HA   GLY  30          HA1       GLY  30  -3.523   1.971   0.819
  182    H    LEU  31           H        LEU  31  -0.771   2.201   1.128
  183    HA   LEU  31           HA       LEU  31   0.233   4.865   0.754
  184   1HB   LEU  31          HB2       LEU  31   1.281   2.100   0.348
  185   2HB   LEU  31          HB1       LEU  31   2.113   3.408  -0.487
  186    HG   LEU  31           HG       LEU  31   1.436   3.751   2.412
  187   1HD1  LEU  31          1HD1      LEU  31   4.079   2.558   1.713
  188   2HD1  LEU  31          2HD1      LEU  31   2.690   1.471   1.750
  189   3HD1  LEU  31          3HD1      LEU  31   3.125   2.394   3.189
  190   1HD2  LEU  31          1HD2      LEU  31   4.036   4.623   1.740
  191   2HD2  LEU  31          2HD2      LEU  31   2.608   5.631   1.983
  192   3HD2  LEU  31          3HD2      LEU  31   3.016   5.055   0.366
  193    H    CYS  32           H        CYS  32  -0.845   2.356  -1.521
  194    HA   CYS  32           HA       CYS  32  -0.566   4.364  -3.715
  195   1HB   CYS  32          HB2       CYS  32  -0.570   1.340  -3.749
  196   2HB   CYS  32          HB1       CYS  32  -0.736   2.310  -5.213
  197    H    CYS  33           H        CYS  33  -2.693   5.131  -2.610
  198    HA   CYS  33           HA       CYS  33  -4.942   3.762  -4.013
  199   1HB   CYS  33          HB2       CYS  33  -4.755   4.584  -1.124
  200   2HB   CYS  33          HB1       CYS  33  -6.322   4.546  -1.933
  201    H    GLU  34           H        GLU  34  -5.332   5.281  -5.585
  202    HA   GLU  34           HA       GLU  34  -5.481   8.143  -4.767
  203   1HB   GLU  34          HB2       GLU  34  -5.388   6.923  -7.546
  204   2HB   GLU  34          HB1       GLU  34  -5.330   8.645  -7.166
  205   1HG   GLU  34          HG2       GLU  34  -3.323   6.805  -5.906
  206   2HG   GLU  34          HG1       GLU  34  -3.090   7.317  -7.578
  207    H    GLN  35           H        GLN  35  -7.478   9.066  -4.625
  208    HA   GLN  35           HA       GLN  35  -9.803   9.306  -4.810
  209   1HB   GLN  35          HB2       GLN  35  -8.873   8.368  -7.375
  210   2HB   GLN  35          HB1       GLN  35 -10.443   7.648  -7.018
  211   1HG   GLN  35          HG2       GLN  35 -10.730  10.292  -6.196
  212   2HG   GLN  35          HG1       GLN  35  -9.786  10.414  -7.681
  213   1HE2  GLN  35          1HE2      GLN  35 -12.933  10.378  -6.618
  214   2HE2  GLN  35          2HE2      GLN  35 -13.692   9.754  -8.002
  215    H    CYS  36           H        CYS  36  -8.559   7.073  -3.323
  216    HA   CYS  36           HA       CYS  36  -9.268   5.169  -2.155
  217   1HB   CYS  36          HB2       CYS  36 -11.938   6.087  -3.258
  218   2HB   CYS  36          HB1       CYS  36 -11.750   4.787  -2.080
  219    H    LYS  37           H        LYS  37  -8.141   4.742  -4.676
  220    HA   LYS  37           HA       LYS  37  -9.601   2.283  -5.488
  221   1HB   LYS  37          HB2       LYS  37  -8.638   4.482  -7.332
  222   2HB   LYS  37          HB1       LYS  37  -9.026   2.856  -7.897
  223   1HG   LYS  37          HG2       LYS  37 -11.289   3.188  -6.688
  224   2HG   LYS  37          HG1       LYS  37 -10.870   4.902  -6.670
  225   1HD   LYS  37          HD2       LYS  37 -10.591   3.427  -9.254
  226   2HD   LYS  37          HD1       LYS  37 -12.220   3.829  -8.707
  227   1HE   LYS  37          HE2       LYS  37 -11.642   5.737  -9.931
  228   2HE   LYS  37          HE1       LYS  37 -11.203   6.211  -8.289
  229   1HZ   LYS  37          HZ1       LYS  37  -9.510   5.658 -10.571
  230   2HZ   LYS  37          HZ2       LYS  37  -8.968   4.998  -9.102
  231   3HZ   LYS  37          HZ3       LYS  37  -9.239   6.669  -9.236
  232    H    PHE  38           H        PHE  38  -8.205   0.648  -6.358
  233    HA   PHE  38           HA       PHE  38  -5.526   0.677  -5.284
  234   1HB   PHE  38          HB2       PHE  38  -6.922  -1.187  -7.221
  235   2HB   PHE  38          HB1       PHE  38  -5.289  -1.465  -6.617
  236    HD1  PHE  38           HD2      PHE  38  -5.284  -0.812  -3.859
  237    HD2  PHE  38           HD1      PHE  38  -8.462  -2.561  -6.158
  238    HE1  PHE  38           HE2      PHE  38  -6.223  -1.821  -1.795
  239    HE2  PHE  38           HE1      PHE  38  -9.401  -3.569  -4.096
  240    HZ   PHE  38           HZ       PHE  38  -8.281  -3.199  -1.915
  241    H    SER  39           H        SER  39  -4.082   2.113  -6.179
  242    HA   SER  39           HA       SER  39  -4.078   3.146  -8.785
  243   1HB   SER  39          HB2       SER  39  -1.429   2.511  -7.564
  244   2HB   SER  39          HB1       SER  39  -1.997   4.011  -8.291
  245    HG   SER  39           HG       SER  39  -1.778   4.013  -5.946
  246    H    ARG  40           H        ARG  40  -2.013   2.584 -10.307
  247    HA   ARG  40           HA       ARG  40  -2.395  -0.279 -11.006
  248   1HB   ARG  40          HB2       ARG  40  -1.163   0.474 -13.133
  249   2HB   ARG  40          HB1       ARG  40  -2.775   1.144 -12.878
  250   1HG   ARG  40          HG2       ARG  40  -1.882   3.217 -12.069
  251   2HG   ARG  40          HG1       ARG  40  -0.256   2.550 -11.967
  252   1HD   ARG  40          HD2       ARG  40  -1.586   3.780 -14.233
  253   2HD   ARG  40          HD1       ARG  40   0.111   3.350 -14.043
  254    HE   ARG  40           HE       ARG  40  -1.988   1.499 -15.094
  255   1HH1  ARG  40          1HH2      ARG  40   0.941   0.989 -13.799
  256   2HH1  ARG  40          2HH2      ARG  40   1.751   0.488 -15.245
  257   1HH2  ARG  40          1HH1      ARG  40  -0.812   1.507 -17.348
  258   2HH2  ARG  40          2HH1      ARG  40   0.758   0.781 -17.255
  259    H    ALA  41           H        ALA  41  -0.559  -1.658 -11.340
  260    HA   ALA  41           HA       ALA  41   1.523  -1.553  -9.495
  261   1HB   ALA  41          HB1       ALA  41   0.881  -3.408 -11.237
  262   2HB   ALA  41          HB2       ALA  41   2.558  -3.274 -10.705
  263   3HB   ALA  41          HB3       ALA  41   2.071  -2.605 -12.262
  264    H    GLY  42           H        GLY  42   3.939  -1.230 -10.070
  265   1HA   GLY  42          HA2       GLY  42   5.657   0.199 -10.816
  266   2HA   GLY  42          HA1       GLY  42   4.595   0.687 -12.137
  267    H    LYS  43           H        LYS  43   3.290   0.894  -8.957
  268    HA   LYS  43           HA       LYS  43   3.307   3.854  -9.179
  269   1HB   LYS  43          HB2       LYS  43   1.139   2.975  -8.723
  270   2HB   LYS  43          HB1       LYS  43   1.757   1.902  -7.469
  271   1HG   LYS  43          HG2       LYS  43   0.667   3.817  -6.420
  272   2HG   LYS  43          HG1       LYS  43   2.404   3.904  -6.127
  273   1HD   LYS  43          HD2       LYS  43   1.736   6.104  -6.797
  274   2HD   LYS  43          HD1       LYS  43   2.548   5.392  -8.193
  275   1HE   LYS  43          HE2       LYS  43   0.691   5.902  -9.373
  276   2HE   LYS  43          HE1       LYS  43  -0.099   4.590  -8.497
  277   1HZ   LYS  43          HZ1       LYS  43   0.091   7.134  -7.104
  278   2HZ   LYS  43          HZ2       LYS  43  -1.184   6.012  -7.153
  279   3HZ   LYS  43          HZ3       LYS  43  -0.954   7.098  -8.440
  280    H    ILE  44           H        ILE  44   4.867   4.949  -8.140
  281    HA   ILE  44           HA       ILE  44   6.721   3.771  -6.322
  282    HB   ILE  44           HB       ILE  44   7.325   5.753  -7.575
  283   1HG1  ILE  44          2HG1      ILE  44   7.799   7.344  -5.509
  284   2HG1  ILE  44          1HG1      ILE  44   7.220   5.961  -4.583
  285   1HG2  ILE  44          1HG2      ILE  44   6.235   7.923  -7.140
  286   2HG2  ILE  44          2HG2      ILE  44   5.132   7.143  -6.006
  287   3HG2  ILE  44          3HG2      ILE  44   5.066   6.740  -7.722
  288   1HD1  ILE  44          1HD1      ILE  44   9.030   4.672  -5.117
  289   2HD1  ILE  44          2HD1      ILE  44   9.797   6.243  -5.349
  290   3HD1  ILE  44          3HD1      ILE  44   9.167   5.356  -6.737
  291    H    CYS  45           H        CYS  45   6.362   3.179  -4.253
  292    HA   CYS  45           HA       CYS  45   4.313   4.703  -2.690
  293   1HB   CYS  45          HB2       CYS  45   4.323   2.547  -1.253
  294   2HB   CYS  45          HB1       CYS  45   3.509   2.485  -2.815
  295    H    ARG  46           H        ARG  46   7.612   4.043  -3.027
  296    HA   ARG  46           HA       ARG  46   8.129   5.194  -0.335
  297   1HB   ARG  46          HB2       ARG  46   8.525   2.536  -0.740
  298   2HB   ARG  46          HB1       ARG  46  10.087   3.169  -1.264
  299   1HG   ARG  46          HG2       ARG  46  10.451   4.255   0.844
  300   2HG   ARG  46          HG1       ARG  46   8.790   3.955   1.355
  301   1HD   ARG  46          HD2       ARG  46   9.466   1.425   0.943
  302   2HD   ARG  46          HD1       ARG  46  11.096   2.050   1.195
  303    HE   ARG  46           HE       ARG  46  10.417   2.736   3.450
  304   1HH1  ARG  46          1HH1      ARG  46   8.966   0.040   2.106
  305   2HH1  ARG  46          2HH1      ARG  46   7.685  -0.075   3.266
  306   1HH2  ARG  46          1HH2      ARG  46   8.410   2.968   4.760
  307   2HH2  ARG  46          2HH2      ARG  46   7.369   1.583   4.769
  308    H    ILE  47           H        ILE  47  10.160   6.329  -0.213
  309    HA   ILE  47           HA       ILE  47  11.347   6.942  -2.884
  310    HB   ILE  47           HB       ILE  47  11.204   9.153  -0.902
  311   1HG1  ILE  47          2HG1      ILE  47   8.778   9.285  -2.366
  312   2HG1  ILE  47          1HG1      ILE  47   8.806   7.702  -1.617
  313   1HG2  ILE  47          1HG2      ILE  47  10.271  10.079  -3.281
  314   2HG2  ILE  47          2HG2      ILE  47  11.237   8.707  -3.824
  315   3HG2  ILE  47          3HG2      ILE  47  11.983   9.989  -2.869
  316   1HD1  ILE  47          1HD1      ILE  47   9.438   8.857   0.556
  317   2HD1  ILE  47          2HD1      ILE  47   7.805   9.186  -0.023
  318   3HD1  ILE  47          3HD1      ILE  47   9.079  10.384  -0.250
  319    HA   PRO  48           HA       PRO  48  15.159   6.333  -0.760
  320   1HB   PRO  48          HB2       PRO  48  16.808   7.630  -2.542
  321   2HB   PRO  48          HB1       PRO  48  16.123   6.024  -2.835
  322   1HG   PRO  48          HG2       PRO  48  15.352   8.638  -4.034
  323   2HG   PRO  48          HG1       PRO  48  15.168   7.002  -4.691
  324   1HD   PRO  48          HD2       PRO  48  13.125   8.552  -3.511
  325   2HD   PRO  48          HD1       PRO  48  13.035   6.817  -3.866
  326    H    ARG  49           H        ARG  49  14.412   7.878   0.995
  327    HA   ARG  49           HA       ARG  49  15.485  10.632   0.727
  328   1HB   ARG  49          HB2       ARG  49  14.328  11.029   2.890
  329   2HB   ARG  49          HB1       ARG  49  13.227  10.402   1.662
  330   1HG   ARG  49          HG2       ARG  49  13.426   8.147   2.582
  331   2HG   ARG  49          HG1       ARG  49  14.610   8.709   3.763
  332   1HD   ARG  49          HD2       ARG  49  12.958   9.322   5.161
  333   2HD   ARG  49          HD1       ARG  49  12.295  10.390   3.925
  334    HE   ARG  49           HE       ARG  49  11.596   7.485   3.993
  335   1HH1  ARG  49          1HH2      ARG  49  10.889  10.348   2.474
  336   2HH1  ARG  49          2HH2      ARG  49   9.183  10.310   2.772
  337   1HH2  ARG  49          1HH1      ARG  49   9.359   7.637   4.974
  338   2HH2  ARG  49          2HH1      ARG  49   8.318   8.777   4.190
  339    H    GLY  50           H        GLY  50  17.335   8.401   0.879
  340   1HA   GLY  50          HA2       GLY  50  19.483   9.045   2.205
  341   2HA   GLY  50          HA1       GLY  50  18.474   8.726   3.616
  342    H    GLU  51           H        GLU  51  19.856   7.218   0.714
  343    HA   GLU  51           HA       GLU  51  20.408   4.980   0.280
  344   1HB   GLU  51          HB2       GLU  51  20.886   5.431   3.153
  345   2HB   GLU  51          HB1       GLU  51  20.646   3.738   2.719
  346   1HG   GLU  51          HG2       GLU  51  22.339   5.032   0.767
  347   2HG   GLU  51          HG1       GLU  51  22.998   5.258   2.388
  348    H    MET  52           H        MET  52  17.657   5.559   0.200
  349    HA   MET  52           HA       MET  52  16.506   3.039   1.325
  350   1HB   MET  52          HB2       MET  52  15.539   5.830   1.399
  351   2HB   MET  52          HB1       MET  52  14.321   4.636   0.944
  352   1HG   MET  52          HG2       MET  52  14.461   3.515   2.977
  353   2HG   MET  52          HG1       MET  52  16.108   4.067   3.283
  354   1HE   MET  52          HE1       MET  52  15.163   4.805   5.997
  355   2HE   MET  52          HE2       MET  52  13.961   3.794   5.198
  356   3HE   MET  52          HE3       MET  52  13.459   5.278   6.004
  357    HA   PRO  53           HA       PRO  53  15.814   2.293  -3.010
  358   1HB   PRO  53          HB2       PRO  53  14.588  -0.145  -2.677
  359   2HB   PRO  53          HB1       PRO  53  16.343   0.090  -2.598
  360   1HG   PRO  53          HG2       PRO  53  14.406  -0.370  -0.375
  361   2HG   PRO  53          HG1       PRO  53  16.133  -0.758  -0.459
  362   1HD   PRO  53          HD2       PRO  53  15.002   1.446   0.903
  363   2HD   PRO  53          HD1       PRO  53  16.722   1.235   0.509
  364    H    ASP  54           H        ASP  54  14.149   3.187  -4.162
  365    HA   ASP  54           HA       ASP  54  11.634   3.938  -3.098
  366   1HB   ASP  54          HB2       ASP  54  11.899   3.177  -6.001
  367   2HB   ASP  54          HB1       ASP  54  11.025   4.525  -5.280
  368    H    ASP  55           H        ASP  55   9.488   2.989  -4.034
  369    HA   ASP  55           HA       ASP  55   9.632   0.037  -4.330
  370   1HB   ASP  55          HB2       ASP  55   8.042   1.527  -2.227
  371   2HB   ASP  55          HB1       ASP  55   7.687  -0.135  -2.695
  372    H    ARG  56           H        ARG  56   8.188  -0.669  -5.853
  373    HA   ARG  56           HA       ARG  56   6.187   1.320  -6.838
  374   1HB   ARG  56          HB2       ARG  56   7.564  -0.981  -8.248
  375   2HB   ARG  56          HB1       ARG  56   6.268  -0.021  -8.959
  376   1HG   ARG  56          HG2       ARG  56   8.817   1.201  -7.878
  377   2HG   ARG  56          HG1       ARG  56   8.618   0.730  -9.567
  378   1HD   ARG  56          HD2       ARG  56   6.892   2.315  -9.924
  379   2HD   ARG  56          HD1       ARG  56   6.634   2.545  -8.194
  380    HE   ARG  56           HE       ARG  56   8.229   4.258  -8.368
  381   1HH1  ARG  56          1HH2      ARG  56   8.353   3.916 -11.398
  382   2HH1  ARG  56          2HH2      ARG  56  10.051   3.664 -11.635
  383   1HH2  ARG  56          1HH1      ARG  56  10.685   2.972  -8.297
  384   2HH2  ARG  56          2HH1      ARG  56  11.368   3.126  -9.881
  385    H    CYS  57           H        CYS  57   4.147   0.828  -6.157
  386    HA   CYS  57           HA       CYS  57   3.387  -1.678  -5.028
  387   1HB   CYS  57          HB2       CYS  57   1.698   0.509  -6.272
  388   2HB   CYS  57          HB1       CYS  57   1.036  -0.853  -5.376
  389    H    THR  58           H        THR  58   1.875  -3.269  -5.967
  390    HA   THR  58           HA       THR  58   2.561  -3.817  -8.783
  391    HB   THR  58           HB       THR  58   1.627  -6.006  -8.398
  392    HG1  THR  58           HG1      THR  58   0.042  -6.232  -7.065
  393   1HG2  THR  58          1HG2      THR  58   3.803  -5.139  -7.133
  394   2HG2  THR  58          2HG2      THR  58   3.169  -6.762  -6.856
  395   3HG2  THR  58          3HG2      THR  58   2.814  -5.469  -5.710
  396    H    GLY  59           H        GLY  59   0.380  -1.844  -7.489
  397   1HA   GLY  59          HA2       GLY  59  -1.493  -0.848  -8.569
  398   2HA   GLY  59          HA1       GLY  59  -1.452  -2.143  -9.766
  399    H    GLN  60           H        GLN  60  -1.800  -4.420  -8.446
  400    HA   GLN  60           HA       GLN  60  -4.550  -4.297  -7.554
  401   1HB   GLN  60          HB2       GLN  60  -2.531  -6.560  -7.416
  402   2HB   GLN  60          HB1       GLN  60  -4.263  -6.726  -7.122
  403   1HG   GLN  60          HG2       GLN  60  -4.615  -6.950  -9.330
  404   2HG   GLN  60          HG1       GLN  60  -3.934  -5.345  -9.597
  405   1HE2  GLN  60          1HE2      GLN  60  -3.275  -8.785  -9.796
  406   2HE2  GLN  60          2HE2      GLN  60  -1.723  -8.645 -10.468
  407    H    SER  61           H        SER  61  -1.608  -3.717  -5.990
  408    HA   SER  61           HA       SER  61  -2.781  -4.404  -3.330
  409   1HB   SER  61          HB2       SER  61  -0.553  -5.397  -3.862
  410   2HB   SER  61          HB1       SER  61   0.100  -3.771  -4.040
  411    HG   SER  61           HG       SER  61  -0.817  -5.113  -1.748
  412    H    ALA  62           H        ALA  62  -3.346  -2.741  -1.993
  413    HA   ALA  62           HA       ALA  62  -2.957   0.015  -2.965
  414   1HB   ALA  62          HB1       ALA  62  -4.650  -1.329  -0.903
  415   2HB   ALA  62          HB2       ALA  62  -5.099  -0.131  -2.119
  416   3HB   ALA  62          HB3       ALA  62  -4.260   0.372  -0.651
  417    H    ASP  63           H        ASP  63  -1.818  -2.072  -0.352
  418    HA   ASP  63           HA       ASP  63  -0.379   0.168   0.919
  419   1HB   ASP  63          HB2       ASP  63  -0.168  -2.783   1.568
  420   2HB   ASP  63          HB1       ASP  63   0.273  -1.422   2.599
  421    H    CYS  64           H        CYS  64   2.049  -0.442   1.484
  422    HA   CYS  64           HA       CYS  64   3.332  -1.596  -0.954
  423   1HB   CYS  64          HB2       CYS  64   3.422   0.890  -1.030
  424   2HB   CYS  64          HB1       CYS  64   4.251   0.884   0.527
  425    HA   PRO  65           HA       PRO  65   5.491  -3.880   2.108
  426   1HB   PRO  65          HB2       PRO  65   7.056  -5.224   0.314
  427   2HB   PRO  65          HB1       PRO  65   5.377  -5.652   0.638
  428   1HG   PRO  65          HG2       PRO  65   6.569  -4.328  -1.740
  429   2HG   PRO  65          HG1       PRO  65   5.057  -5.242  -1.606
  430   1HD   PRO  65          HD2       PRO  65   5.317  -2.415  -1.687
  431   2HD   PRO  65          HD1       PRO  65   3.846  -3.334  -1.305
  432    H    ARG  66           H        ARG  66   8.194  -4.644   1.709
  433    HA   ARG  66           HA       ARG  66   9.563  -1.984   1.626
  434   1HB   ARG  66          HB2       ARG  66   9.707  -4.235   3.560
  435   2HB   ARG  66          HB1       ARG  66  11.241  -3.473   3.141
  436   1HG   ARG  66          HG2       ARG  66   8.812  -1.862   3.946
  437   2HG   ARG  66          HG1       ARG  66   9.980  -2.456   5.127
  438   1HD   ARG  66          HD2       ARG  66  10.753  -0.797   2.715
  439   2HD   ARG  66          HD1       ARG  66  10.426  -0.106   4.304
  440    HE   ARG  66           HE       ARG  66  12.335  -2.157   4.676
  441   1HH1  ARG  66          1HH2      ARG  66  13.204  -0.917   2.005
  442   2HH1  ARG  66          2HH2      ARG  66  14.342   0.268   2.554
  443   1HH2  ARG  66          1HH1      ARG  66  13.277   0.147   5.853
  444   2HH2  ARG  66          2HH1      ARG  66  14.381   0.874   4.735
  445    H    TYR  67           H        TYR  67  10.803  -1.884  -0.183
  446    HA   TYR  67           HA       TYR  67  11.668  -4.284  -1.586
  447   1HB   TYR  67          HB2       TYR  67  11.134  -1.865  -2.504
  448   2HB   TYR  67          HB1       TYR  67  12.834  -1.573  -2.136
  449    HD1  TYR  67           HD2      TYR  67  10.832  -4.413  -3.565
  450    HD2  TYR  67           HD1      TYR  67  14.247  -1.838  -3.964
  451    HE1  TYR  67           HE2      TYR  67  11.482  -5.598  -5.644
  452    HE2  TYR  67           HE1      TYR  67  14.896  -3.023  -6.043
  453    HH   TYR  67           HH       TYR  67  13.141  -5.893  -7.148
  454    H    HIS  68           H        HIS  68  12.718  -4.798   0.751
  455    HA   HIS  68           HA       HIS  68  15.410  -3.633   1.025
  456   1HB   HIS  68          HB2       HIS  68  15.577  -5.113   3.002
  457   2HB   HIS  68          HB1       HIS  68  14.097  -4.154   3.048
  458    HD1  HIS  68           HD1      HIS  68  15.165  -7.583   1.735
  459    HD2  HIS  68           HD2      HIS  68  11.873  -5.718   3.486
  460    HE1  HIS  68           HE1      HIS  68  13.417  -9.384   2.072
  Start of MODEL    5
    1   1H    GLY   1          HT1       GLY   1 -11.025 -13.370   5.418
    2   2H    GLY   1          HT2       GLY   1 -10.483 -14.962   5.663
    3   3H    GLY   1          HT3       GLY   1 -10.729 -14.377   4.086
    4   1HA   GLY   1          HA1       GLY   1  -8.476 -14.014   5.871
    5   2HA   GLY   1          HA2       GLY   1  -8.526 -14.031   4.109
    6    H    LYS   2           H        LYS   2 -10.625 -12.030   3.881
    7    HA   LYS   2           HA       LYS   2  -9.142  -9.628   4.878
    8   1HB   LYS   2          HB2       LYS   2 -10.656  -9.876   2.261
    9   2HB   LYS   2          HB1       LYS   2  -9.725  -8.482   2.807
   10   1HG   LYS   2          HG2       LYS   2  -7.664  -9.630   2.599
   11   2HG   LYS   2          HG1       LYS   2  -8.455 -11.205   2.524
   12   1HD   LYS   2          HD2       LYS   2  -9.522 -10.479   0.357
   13   2HD   LYS   2          HD1       LYS   2  -8.512  -9.034   0.412
   14   1HE   LYS   2          HE2       LYS   2  -7.464 -10.782  -0.977
   15   2HE   LYS   2          HE1       LYS   2  -6.488 -10.447   0.453
   16   1HZ   LYS   2          HZ1       LYS   2  -8.485 -12.634   0.311
   17   2HZ   LYS   2          HZ2       LYS   2  -7.323 -12.372   1.523
   18   3HZ   LYS   2          HZ3       LYS   2  -6.838 -12.850  -0.033
   19    H    GLU   3           H        GLU   3 -10.442  -8.932   6.542
   20    HA   GLU   3           HA       GLU   3 -13.360  -8.627   5.937
   21   1HB   GLU   3          HB2       GLU   3 -12.377 -10.198   7.901
   22   2HB   GLU   3          HB1       GLU   3 -12.446  -8.664   8.769
   23   1HG   GLU   3          HG2       GLU   3 -14.621  -9.219   9.138
   24   2HG   GLU   3          HG1       GLU   3 -14.865  -8.664   7.481
   25    H    CYS   4           H        CYS   4 -10.482  -6.965   6.458
   26    HA   CYS   4           HA       CYS   4 -12.042  -4.506   7.059
   27   1HB   CYS   4          HB2       CYS   4  -9.784  -5.648   8.601
   28   2HB   CYS   4          HB1       CYS   4  -9.676  -3.921   8.267
   29    H    ASP   5           H        ASP   5 -11.884  -3.700   4.966
   30    HA   ASP   5           HA       ASP   5  -9.216  -3.583   3.685
   31   1HB   ASP   5          HB2       ASP   5 -11.889  -3.784   2.729
   32   2HB   ASP   5          HB1       ASP   5 -11.254  -2.234   2.177
   33    H    CYS   6           H        CYS   6 -10.318  -1.938   6.073
   34    HA   CYS   6           HA       CYS   6  -9.082   0.583   5.248
   35   1HB   CYS   6          HB2       CYS   6 -11.379   0.834   4.388
   36   2HB   CYS   6          HB1       CYS   6 -12.021   0.484   5.991
   37    H    SER   7           H        SER   7  -7.928   1.194   7.014
   38    HA   SER   7           HA       SER   7  -8.812   0.200   9.677
   39   1HB   SER   7          HB2       SER   7  -6.401  -0.077   8.643
   40   2HB   SER   7          HB1       SER   7  -6.188   1.580   9.202
   41    HG   SER   7           HG       SER   7  -5.719  -0.321  10.679
   42    H    SER   8           H        SER   8  -9.358   2.861   7.884
   43    HA   SER   8           HA       SER   8  -9.072   4.725  10.200
   44   1HB   SER   8          HB2       SER   8  -9.762   5.846   7.555
   45   2HB   SER   8          HB1       SER   8  -8.593   6.412   8.746
   46    HG   SER   8           HG       SER   8  -8.311   4.589   6.660
   47    HA   PRO   9           HA       PRO   9 -13.519   4.433  10.323
   48   1HB   PRO   9          HB2       PRO   9 -13.829   6.107  12.479
   49   2HB   PRO   9          HB1       PRO   9 -13.329   4.412  12.619
   50   1HG   PRO   9          HG2       PRO   9 -11.689   6.883  12.913
   51   2HG   PRO   9          HG1       PRO   9 -11.435   5.279  13.618
   52   1HD   PRO   9          HD2       PRO   9 -10.071   6.344  11.375
   53   2HD   PRO   9          HD1       PRO   9 -10.060   4.647  11.898
   54    H    GLU  10           H        GLU  10 -11.836   7.576  10.552
   55    HA   GLU  10           HA       GLU  10 -14.151   9.130   9.782
   56   1HB   GLU  10          HB2       GLU  10 -11.350   9.617  10.432
   57   2HB   GLU  10          HB1       GLU  10 -11.899  10.623   9.091
   58   1HG   GLU  10          HG2       GLU  10 -12.295  11.695  11.309
   59   2HG   GLU  10          HG1       GLU  10 -13.792  11.418  10.416
   60    H    ASN  11           H        ASN  11 -11.818   7.270   8.034
   61    HA   ASN  11           HA       ASN  11 -11.906   8.645   5.529
   62   1HB   ASN  11          HB2       ASN  11 -10.219   6.948   5.973
   63   2HB   ASN  11          HB1       ASN  11 -11.465   5.713   6.155
   64   1HD2  ASN  11          1HD2      ASN  11 -10.367   4.568   4.311
   65   2HD2  ASN  11          2HD2      ASN  11 -10.673   5.075   2.721
   66    HA   PRO  12           HA       PRO  12 -16.140   7.535   4.603
   67   1HB   PRO  12          HB2       PRO  12 -16.288   9.044   2.312
   68   2HB   PRO  12          HB1       PRO  12 -16.455   9.718   3.942
   69   1HG   PRO  12          HG2       PRO  12 -14.155   9.917   2.059
   70   2HG   PRO  12          HG1       PRO  12 -14.632  11.012   3.368
   71   1HD   PRO  12          HD2       PRO  12 -12.544   9.095   3.476
   72   2HD   PRO  12          HD1       PRO  12 -13.230   9.980   4.856
   73    H    CYS  13           H        CYS  13 -13.298   6.807   2.830
   74    HA   CYS  13           HA       CYS  13 -14.599   5.589   0.528
   75   1HB   CYS  13          HB2       CYS  13 -12.062   6.398   0.929
   76   2HB   CYS  13          HB1       CYS  13 -11.874   4.702   1.334
   77    H    CYS  14           H        CYS  14 -14.657   4.709   3.693
   78    HA   CYS  14           HA       CYS  14 -15.080   1.867   2.937
   79   1HB   CYS  14          HB2       CYS  14 -13.935   1.367   5.257
   80   2HB   CYS  14          HB1       CYS  14 -12.955   1.573   3.807
   81    H    ASP  15           H        ASP  15 -16.176   0.667   4.757
   82    HA   ASP  15           HA       ASP  15 -18.206   2.463   5.984
   83   1HB   ASP  15          HB2       ASP  15 -18.768   0.416   4.468
   84   2HB   ASP  15          HB1       ASP  15 -18.366  -0.541   5.892
   85    H    ALA  16           H        ALA  16 -18.155   2.777   8.160
   86    HA   ALA  16           HA       ALA  16 -16.112   1.467   9.769
   87   1HB   ALA  16          HB1       ALA  16 -17.501   2.754  11.629
   88   2HB   ALA  16          HB2       ALA  16 -18.198   3.565  10.228
   89   3HB   ALA  16          HB3       ALA  16 -16.460   3.637  10.513
   90    H    ALA  17           H        ALA  17 -19.357   0.757   8.932
   91    HA   ALA  17           HA       ALA  17 -19.994  -0.736  11.361
   92   1HB   ALA  17          HB1       ALA  17 -21.899   0.072  10.221
   93   2HB   ALA  17          HB2       ALA  17 -21.866  -1.643   9.813
   94   3HB   ALA  17          HB3       ALA  17 -21.288  -0.449   8.652
   95    H    THR  18           H        THR  18 -18.940  -1.532   8.054
   96    HA   THR  18           HA       THR  18 -18.494  -4.338   8.967
   97    HB   THR  18           HB       THR  18 -19.897  -4.124   6.959
   98    HG1  THR  18           HG1      THR  18 -18.694  -5.912   6.836
   99   1HG2  THR  18          1HG2      THR  18 -18.344  -3.306   4.897
  100   2HG2  THR  18          2HG2      THR  18 -17.711  -2.279   6.184
  101   3HG2  THR  18          3HG2      THR  18 -19.427  -2.228   5.778
  102    H    CYS  19           H        CYS  19 -16.864  -1.442   8.481
  103    HA   CYS  19           HA       CYS  19 -14.574  -0.930   8.419
  104   1HB   CYS  19          HB2       CYS  19 -14.455  -2.561  10.263
  105   2HB   CYS  19          HB1       CYS  19 -14.336  -3.878   9.101
  106    H    LYS  20           H        LYS  20 -15.890  -1.581   5.944
  107    HA   LYS  20           HA       LYS  20 -13.505  -2.517   4.431
  108   1HB   LYS  20          HB2       LYS  20 -16.258  -3.728   4.354
  109   2HB   LYS  20          HB1       LYS  20 -15.213  -3.794   2.934
  110   1HG   LYS  20          HG2       LYS  20 -13.504  -4.579   4.943
  111   2HG   LYS  20          HG1       LYS  20 -15.034  -5.283   5.465
  112   1HD   LYS  20          HD2       LYS  20 -15.227  -6.617   3.570
  113   2HD   LYS  20          HD1       LYS  20 -14.212  -5.554   2.594
  114   1HE   LYS  20          HE2       LYS  20 -12.535  -6.384   4.665
  115   2HE   LYS  20          HE1       LYS  20 -13.445  -7.833   4.239
  116   1HZ   LYS  20          HZ1       LYS  20 -12.888  -6.945   1.825
  117   2HZ   LYS  20          HZ2       LYS  20 -11.829  -7.961   2.682
  118   3HZ   LYS  20          HZ3       LYS  20 -11.558  -6.283   2.643
  119    H    LEU  21           H        LEU  21 -13.966  -2.136   1.962
  120    HA   LEU  21           HA       LEU  21 -14.428   0.608   1.519
  121   1HB   LEU  21          HB2       LEU  21 -14.381  -1.808  -0.232
  122   2HB   LEU  21          HB1       LEU  21 -15.044  -0.319  -0.905
  123    HG   LEU  21           HG       LEU  21 -12.643   0.310   0.533
  124   1HD1  LEU  21          1HD1      LEU  21 -12.587  -2.275  -0.690
  125   2HD1  LEU  21          2HD1      LEU  21 -11.263  -1.403   0.084
  126   3HD1  LEU  21          3HD1      LEU  21 -11.571  -1.190  -1.639
  127   1HD2  LEU  21          1HD2      LEU  21 -12.620   0.298  -2.422
  128   2HD2  LEU  21          2HD2      LEU  21 -12.325   1.626  -1.301
  129   3HD2  LEU  21          3HD2      LEU  21 -13.978   1.158  -1.696
  130    H    ARG  22           H        ARG  22 -16.265   1.788   1.511
  131    HA   ARG  22           HA       ARG  22 -18.846   0.359   1.653
  132   1HB   ARG  22          HB2       ARG  22 -18.733   1.985   3.334
  133   2HB   ARG  22          HB1       ARG  22 -17.976   3.171   2.280
  134   1HG   ARG  22          HG2       ARG  22 -20.391   3.660   2.770
  135   2HG   ARG  22          HG1       ARG  22 -20.047   3.484   1.049
  136   1HD   ARG  22          HD2       ARG  22 -21.283   1.580   0.868
  137   2HD   ARG  22          HD1       ARG  22 -20.744   0.968   2.432
  138    HE   ARG  22           HE       ARG  22 -22.888   3.036   2.144
  139   1HH1  ARG  22          1HH1      ARG  22 -21.558   2.436   4.837
  140   2HH1  ARG  22          2HH1      ARG  22 -22.703   1.336   5.528
  141   1HH2  ARG  22          1HH2      ARG  22 -24.307   0.702   2.517
  142   2HH2  ARG  22          2HH2      ARG  22 -24.258   0.351   4.213
  143    HA   PRO  23           HA       PRO  23 -19.584   3.122  -2.164
  144   1HB   PRO  23          HB2       PRO  23 -17.421   4.422  -3.249
  145   2HB   PRO  23          HB1       PRO  23 -18.467   5.132  -2.007
  146   1HG   PRO  23          HG2       PRO  23 -15.702   4.068  -1.740
  147   2HG   PRO  23          HG1       PRO  23 -16.546   5.263  -0.741
  148   1HD   PRO  23          HD2       PRO  23 -16.126   2.523  -0.108
  149   2HD   PRO  23          HD1       PRO  23 -17.169   3.663   0.766
  150    H    GLY  24           H        GLY  24 -18.333   3.261  -4.611
  151   1HA   GLY  24          HA2       GLY  24 -17.757   0.417  -5.155
  152   2HA   GLY  24          HA1       GLY  24 -18.058   1.663  -6.368
  153    H    ALA  25           H        ALA  25 -15.851   2.503  -3.866
  154    HA   ALA  25           HA       ALA  25 -13.690   2.909  -5.723
  155   1HB   ALA  25          HB1       ALA  25 -13.827   4.262  -3.709
  156   2HB   ALA  25          HB2       ALA  25 -12.339   3.319  -3.644
  157   3HB   ALA  25          HB3       ALA  25 -13.738   2.825  -2.691
  158    H    GLN  26           H        GLN  26 -11.635   1.761  -5.764
  159    HA   GLN  26           HA       GLN  26 -11.991  -1.137  -5.296
  160   1HB   GLN  26          HB2       GLN  26 -10.617   0.439  -7.225
  161   2HB   GLN  26          HB1       GLN  26  -9.393  -0.463  -6.330
  162   1HG   GLN  26          HG2       GLN  26  -9.938  -2.096  -7.848
  163   2HG   GLN  26          HG1       GLN  26 -11.207  -2.425  -6.670
  164   1HE2  GLN  26          1HE2      GLN  26 -13.194  -2.663  -7.684
  165   2HE2  GLN  26          2HE2      GLN  26 -13.709  -1.789  -9.045
  166    H    CYS  27           H        CYS  27 -10.636   1.551  -3.731
  167    HA   CYS  27           HA       CYS  27  -9.405  -0.208  -1.714
  168   1HB   CYS  27          HB2       CYS  27  -7.307   1.305  -1.785
  169   2HB   CYS  27          HB1       CYS  27  -7.461   0.077  -3.042
  170    H    GLY  28           H        GLY  28 -10.186   0.581   0.172
  171   1HA   GLY  28          HA2       GLY  28 -11.377   3.187   0.343
  172   2HA   GLY  28          HA1       GLY  28 -11.148   2.087   1.697
  173    H    GLU  29           H        GLU  29  -8.229   1.865   1.223
  174    HA   GLU  29           HA       GLU  29  -7.238   4.614   1.566
  175   1HB   GLU  29          HB2       GLU  29  -8.176   3.679   3.810
  176   2HB   GLU  29          HB1       GLU  29  -6.717   2.692   3.819
  177   1HG   GLU  29          HG2       GLU  29  -5.752   5.200   3.157
  178   2HG   GLU  29          HG1       GLU  29  -7.026   5.565   4.322
  179    H    GLY  30           H        GLY  30  -4.918   3.177   3.133
  180   1HA   GLY  30          HA2       GLY  30  -3.046   1.792   2.548
  181   2HA   GLY  30          HA1       GLY  30  -3.728   1.602   0.929
  182    H    LEU  31           H        LEU  31  -1.124   2.262   0.771
  183    HA   LEU  31           HA       LEU  31  -1.081   5.222   0.527
  184   1HB   LEU  31          HB2       LEU  31   1.530   4.107   0.159
  185   2HB   LEU  31          HB1       LEU  31   0.962   5.117   1.458
  186    HG   LEU  31           HG       LEU  31   0.584   2.121   1.418
  187   1HD1  LEU  31          1HD1      LEU  31   2.957   3.579   1.856
  188   2HD1  LEU  31          2HD1      LEU  31   2.661   1.887   2.253
  189   3HD1  LEU  31          3HD1      LEU  31   2.361   3.139   3.458
  190   1HD2  LEU  31          1HD2      LEU  31  -0.947   2.713   2.991
  191   2HD2  LEU  31          2HD2      LEU  31  -0.300   4.348   3.131
  192   3HD2  LEU  31          3HD2      LEU  31   0.457   3.021   4.013
  193    H    CYS  32           H        CYS  32  -1.475   2.376  -1.193
  194    HA   CYS  32           HA       CYS  32  -0.281   3.416  -3.700
  195   1HB   CYS  32          HB2       CYS  32  -1.255   0.757  -2.757
  196   2HB   CYS  32          HB1       CYS  32  -1.405   1.109  -4.475
  197    H    CYS  33           H        CYS  33  -3.238   3.243  -1.994
  198    HA   CYS  33           HA       CYS  33  -5.051   3.250  -4.237
  199   1HB   CYS  33          HB2       CYS  33  -5.665   2.692  -1.849
  200   2HB   CYS  33          HB1       CYS  33  -5.530   4.410  -1.479
  201    H    GLU  34           H        GLU  34  -5.575   4.914  -5.563
  202    HA   GLU  34           HA       GLU  34  -4.835   7.682  -4.698
  203   1HB   GLU  34          HB2       GLU  34  -3.575   6.398  -6.711
  204   2HB   GLU  34          HB1       GLU  34  -4.949   7.048  -7.606
  205   1HG   GLU  34          HG2       GLU  34  -4.345   9.268  -6.297
  206   2HG   GLU  34          HG1       GLU  34  -2.756   8.509  -6.181
  207    H    GLN  35           H        GLN  35  -6.695   8.827  -4.405
  208    HA   GLN  35           HA       GLN  35  -8.883   9.608  -4.755
  209   1HB   GLN  35          HB2       GLN  35  -7.980   8.721  -7.459
  210   2HB   GLN  35          HB1       GLN  35  -9.710   8.982  -7.235
  211   1HG   GLN  35          HG2       GLN  35  -7.507  10.986  -6.659
  212   2HG   GLN  35          HG1       GLN  35  -8.669  11.063  -7.985
  213   1HE2  GLN  35          1HE2      GLN  35 -10.888  10.035  -6.202
  214   2HE2  GLN  35          2HE2      GLN  35 -11.312  11.354  -5.222
  215    H    CYS  36           H        CYS  36  -8.395   6.991  -3.626
  216    HA   CYS  36           HA       CYS  36  -9.634   5.120  -2.963
  217   1HB   CYS  36          HB2       CYS  36 -11.740   6.847  -4.233
  218   2HB   CYS  36          HB1       CYS  36 -12.130   5.201  -3.739
  219    H    LYS  37           H        LYS  37  -8.079   5.019  -5.383
  220    HA   LYS  37           HA       LYS  37  -9.541   2.817  -6.744
  221   1HB   LYS  37          HB2       LYS  37  -8.074   5.004  -8.249
  222   2HB   LYS  37          HB1       LYS  37  -8.962   3.652  -8.952
  223   1HG   LYS  37          HG2       LYS  37 -11.041   4.509  -7.853
  224   2HG   LYS  37          HG1       LYS  37 -10.128   5.917  -7.310
  225   1HD   LYS  37          HD2       LYS  37 -10.380   6.906  -9.314
  226   2HD   LYS  37          HD1       LYS  37  -9.679   5.507 -10.127
  227   1HE   LYS  37          HE2       LYS  37 -11.714   5.010 -10.948
  228   2HE   LYS  37          HE1       LYS  37 -12.277   4.739  -9.299
  229   1HZ   LYS  37          HZ1       LYS  37 -13.605   6.470  -9.656
  230   2HZ   LYS  37          HZ2       LYS  37 -12.770   6.947 -11.056
  231   3HZ   LYS  37          HZ3       LYS  37 -12.224   7.444  -9.526
  232    H    PHE  38           H        PHE  38  -8.066   1.298  -7.801
  233    HA   PHE  38           HA       PHE  38  -5.596   0.937  -6.359
  234   1HB   PHE  38          HB2       PHE  38  -6.867  -0.399  -8.734
  235   2HB   PHE  38          HB1       PHE  38  -5.199  -0.770  -8.312
  236    HD1  PHE  38           HD1      PHE  38  -5.239  -0.614  -5.373
  237    HD2  PHE  38           HD2      PHE  38  -8.111  -2.290  -8.090
  238    HE1  PHE  38           HE1      PHE  38  -6.020  -2.158  -3.597
  239    HE2  PHE  38           HE2      PHE  38  -8.896  -3.830  -6.312
  240    HZ   PHE  38           HZ       PHE  38  -7.850  -3.763  -4.064
  241    H    SER  39           H        SER  39  -3.840   2.223  -6.687
  242    HA   SER  39           HA       SER  39  -3.421   3.927  -8.902
  243   1HB   SER  39          HB2       SER  39  -1.693   2.801  -6.749
  244   2HB   SER  39          HB1       SER  39  -0.879   3.497  -8.147
  245    HG   SER  39           HG       SER  39  -1.459   5.406  -7.491
  246    H    ARG  40           H        ARG  40  -1.663   3.675 -10.581
  247    HA   ARG  40           HA       ARG  40  -1.997   1.128 -11.954
  248   1HB   ARG  40          HB2       ARG  40  -0.548   3.700 -12.523
  249   2HB   ARG  40          HB1       ARG  40  -0.176   2.266 -13.481
  250   1HG   ARG  40          HG2       ARG  40  -3.045   3.037 -13.050
  251   2HG   ARG  40          HG1       ARG  40  -2.091   3.899 -14.259
  252   1HD   ARG  40          HD2       ARG  40  -1.850   2.035 -15.603
  253   2HD   ARG  40          HD1       ARG  40  -1.965   0.913 -14.248
  254    HE   ARG  40           HE       ARG  40  -4.366   2.383 -15.257
  255   1HH1  ARG  40          1HH1      ARG  40  -2.998  -0.488 -15.943
  256   2HH1  ARG  40          2HH1      ARG  40  -4.242  -1.496 -15.282
  257   1HH2  ARG  40          1HH2      ARG  40  -5.854   1.109 -13.656
  258   2HH2  ARG  40          2HH2      ARG  40  -5.858  -0.591 -13.984
  259    H    ALA  41           H        ALA  41  -0.569  -0.583 -11.964
  260    HA   ALA  41           HA       ALA  41   1.282  -1.074  -9.969
  261   1HB   ALA  41          HB1       ALA  41   0.643  -2.826 -11.523
  262   2HB   ALA  41          HB2       ALA  41   2.397  -2.652 -11.578
  263   3HB   ALA  41          HB3       ALA  41   1.403  -1.968 -12.865
  264    H    GLY  42           H        GLY  42   3.687  -1.089 -10.029
  265   1HA   GLY  42          HA2       GLY  42   5.756  -0.027 -10.390
  266   2HA   GLY  42          HA1       GLY  42   5.104   0.594 -11.908
  267    H    LYS  43           H        LYS  43   3.237   1.155  -9.061
  268    HA   LYS  43           HA       LYS  43   3.830   4.054  -9.301
  269   1HB   LYS  43          HB2       LYS  43   1.507   3.690  -9.203
  270   2HB   LYS  43          HB1       LYS  43   1.659   2.457  -7.962
  271   1HG   LYS  43          HG2       LYS  43   0.774   4.634  -7.092
  272   2HG   LYS  43          HG1       LYS  43   2.261   4.116  -6.298
  273   1HD   LYS  43          HD2       LYS  43   2.710   6.366  -6.774
  274   2HD   LYS  43          HD1       LYS  43   3.443   5.540  -8.148
  275   1HE   LYS  43          HE2       LYS  43   0.569   6.255  -8.419
  276   2HE   LYS  43          HE1       LYS  43   1.717   7.594  -8.439
  277   1HZ   LYS  43          HZ1       LYS  43   2.118   7.085 -10.541
  278   2HZ   LYS  43          HZ2       LYS  43   1.182   5.670 -10.451
  279   3HZ   LYS  43          HZ3       LYS  43   2.826   5.633 -10.022
  280    H    ILE  44           H        ILE  44   5.281   4.979  -7.984
  281    HA   ILE  44           HA       ILE  44   6.645   3.562  -5.916
  282    HB   ILE  44           HB       ILE  44   7.598   5.476  -7.184
  283   1HG1  ILE  44          2HG1      ILE  44   8.488   6.693  -5.084
  284   2HG1  ILE  44          1HG1      ILE  44   7.473   5.578  -4.165
  285   1HG2  ILE  44          1HG2      ILE  44   5.232   6.704  -6.668
  286   2HG2  ILE  44          2HG2      ILE  44   6.702   7.575  -7.105
  287   3HG2  ILE  44          3HG2      ILE  44   6.238   7.422  -5.410
  288   1HD1  ILE  44          1HD1      ILE  44  10.055   5.056  -5.016
  289   2HD1  ILE  44          2HD1      ILE  44   9.070   4.240  -6.230
  290   3HD1  ILE  44          3HD1      ILE  44   8.878   3.838  -4.524
  291    H    CYS  45           H        CYS  45   6.117   3.247  -3.817
  292    HA   CYS  45           HA       CYS  45   3.997   5.005  -2.625
  293   1HB   CYS  45          HB2       CYS  45   4.071   2.151  -2.852
  294   2HB   CYS  45          HB1       CYS  45   4.211   2.579  -1.155
  295    H    ARG  46           H        ARG  46   7.237   4.271  -2.555
  296    HA   ARG  46           HA       ARG  46   7.585   5.619   0.022
  297   1HB   ARG  46          HB2       ARG  46   7.594   2.767  -0.085
  298   2HB   ARG  46          HB1       ARG  46   9.260   3.295   0.153
  299   1HG   ARG  46          HG2       ARG  46   8.844   3.953   2.269
  300   2HG   ARG  46          HG1       ARG  46   7.392   4.829   1.782
  301   1HD   ARG  46          HD2       ARG  46   6.292   2.495   1.583
  302   2HD   ARG  46          HD1       ARG  46   7.664   1.919   2.530
  303    HE   ARG  46           HE       ARG  46   5.908   4.115   3.545
  304   1HH1  ARG  46          1HH1      ARG  46   5.335   1.062   3.931
  305   2HH1  ARG  46          2HH1      ARG  46   5.906   0.863   5.554
  306   1HH2  ARG  46          1HH2      ARG  46   7.606   3.884   5.609
  307   2HH2  ARG  46          2HH2      ARG  46   7.192   2.460   6.503
  308    H    ILE  47           H        ILE  47  10.066   5.815   0.430
  309    HA   ILE  47           HA       ILE  47  11.459   5.856  -2.201
  310    HB   ILE  47           HB       ILE  47  10.566   8.102  -0.715
  311   1HG1  ILE  47          2HG1      ILE  47  12.043   7.481  -3.227
  312   2HG1  ILE  47          1HG1      ILE  47  10.537   8.362  -2.998
  313   1HG2  ILE  47          1HG2      ILE  47  12.630   7.878   0.649
  314   2HG2  ILE  47          2HG2      ILE  47  12.640   9.347  -0.326
  315   3HG2  ILE  47          3HG2      ILE  47  13.595   7.952  -0.825
  316   1HD1  ILE  47          1HD1      ILE  47  12.039  10.044  -3.645
  317   2HD1  ILE  47          2HD1      ILE  47  13.361   9.355  -2.701
  318   3HD1  ILE  47          3HD1      ILE  47  12.029  10.177  -1.887
  319    HA   PRO  48           HA       PRO  48  14.880   4.134  -0.090
  320   1HB   PRO  48          HB2       PRO  48  16.927   5.128  -1.631
  321   2HB   PRO  48          HB1       PRO  48  15.827   3.850  -2.178
  322   1HG   PRO  48          HG2       PRO  48  15.911   6.719  -2.981
  323   2HG   PRO  48          HG1       PRO  48  15.313   5.316  -3.883
  324   1HD   PRO  48          HD2       PRO  48  13.723   7.211  -2.507
  325   2HD   PRO  48          HD1       PRO  48  13.171   5.650  -3.147
  326    H    ARG  49           H        ARG  49  16.465   4.664   1.490
  327    HA   ARG  49           HA       ARG  49  17.287   7.489   1.795
  328   1HB   ARG  49          HB2       ARG  49  16.670   7.392   4.254
  329   2HB   ARG  49          HB1       ARG  49  15.294   7.469   3.152
  330   1HG   ARG  49          HG2       ARG  49  16.154   4.722   3.653
  331   2HG   ARG  49          HG1       ARG  49  15.686   5.557   5.134
  332   1HD   ARG  49          HD2       ARG  49  14.019   5.318   2.612
  333   2HD   ARG  49          HD1       ARG  49  13.720   4.494   4.143
  334    HE   ARG  49           HE       ARG  49  13.496   6.910   5.083
  335   1HH1  ARG  49          1HH2      ARG  49  11.316   5.544   3.217
  336   2HH1  ARG  49          2HH2      ARG  49  10.784   6.950   2.357
  337   1HH2  ARG  49          1HH1      ARG  49  13.450   8.915   3.385
  338   2HH2  ARG  49          2HH1      ARG  49  11.994   8.857   2.449
  339    H    GLY  50           H        GLY  50  19.110   5.910   0.987
  340   1HA   GLY  50          HA2       GLY  50  21.342   5.757   2.331
  341   2HA   GLY  50          HA1       GLY  50  20.447   4.577   3.296
  342    H    GLU  51           H        GLU  51  18.929   3.489   1.169
  343    HA   GLU  51           HA       GLU  51  21.022   2.191  -0.527
  344   1HB   GLU  51          HB2       GLU  51  18.977   1.033   1.269
  345   2HB   GLU  51          HB1       GLU  51  19.010   0.318  -0.340
  346   1HG   GLU  51          HG2       GLU  51  20.631  -0.981   0.659
  347   2HG   GLU  51          HG1       GLU  51  21.647   0.356   0.114
  348    H    MET  52           H        MET  52  19.049   0.739  -2.108
  349    HA   MET  52           HA       MET  52  17.689   3.088  -3.357
  350   1HB   MET  52          HB2       MET  52  17.860   1.773  -5.495
  351   2HB   MET  52          HB1       MET  52  19.415   2.252  -4.813
  352   1HG   MET  52          HG2       MET  52  18.443  -0.329  -3.801
  353   2HG   MET  52          HG1       MET  52  18.735  -0.321  -5.541
  354   1HE   MET  52          HE1       MET  52  22.039  -1.582  -5.475
  355   2HE   MET  52          HE2       MET  52  21.355  -0.394  -6.580
  356   3HE   MET  52          HE3       MET  52  20.327  -1.659  -5.913
  357    HA   PRO  53           HA       PRO  53  14.533  -0.348  -2.422
  358   1HB   PRO  53          HB2       PRO  53  13.444   0.586  -0.083
  359   2HB   PRO  53          HB1       PRO  53  14.769  -0.591  -0.137
  360   1HG   PRO  53          HG2       PRO  53  14.869   2.330   0.507
  361   2HG   PRO  53          HG1       PRO  53  15.898   1.014   1.100
  362   1HD   PRO  53          HD2       PRO  53  16.630   2.838  -0.896
  363   2HD   PRO  53          HD1       PRO  53  17.387   1.261  -0.603
  364    H    ASP  54           H        ASP  54  13.009   0.337  -3.930
  365    HA   ASP  54           HA       ASP  54  11.504   2.858  -3.308
  366   1HB   ASP  54          HB2       ASP  54  11.868   1.772  -6.102
  367   2HB   ASP  54          HB1       ASP  54  11.366   3.389  -5.612
  368    H    ASP  55           H        ASP  55   9.488   2.203  -2.648
  369    HA   ASP  55           HA       ASP  55   8.391  -0.388  -3.238
  370   1HB   ASP  55          HB2       ASP  55   7.159   2.178  -2.207
  371   2HB   ASP  55          HB1       ASP  55   6.224   0.698  -2.417
  372    H    ARG  56           H        ARG  56   6.580  -0.871  -4.666
  373    HA   ARG  56           HA       ARG  56   5.877   1.181  -6.686
  374   1HB   ARG  56          HB2       ARG  56   7.383  -1.368  -7.271
  375   2HB   ARG  56          HB1       ARG  56   6.347  -0.627  -8.490
  376   1HG   ARG  56          HG2       ARG  56   8.521   0.892  -7.031
  377   2HG   ARG  56          HG1       ARG  56   8.780   0.087  -8.580
  378   1HD   ARG  56          HD2       ARG  56   6.369   1.752  -8.552
  379   2HD   ARG  56          HD1       ARG  56   7.843   2.673  -8.259
  380    HE   ARG  56           HE       ARG  56   7.548   0.883 -10.638
  381   1HH1  ARG  56          1HH2      ARG  56  10.224   2.011 -10.292
  382   2HH1  ARG  56          2HH2      ARG  56  10.149   3.505 -11.167
  383   1HH2  ARG  56          1HH1      ARG  56   6.683   3.587 -11.254
  384   2HH2  ARG  56          2HH1      ARG  56   8.144   4.397 -11.712
  385    H    CYS  57           H        CYS  57   3.661   1.071  -6.449
  386    HA   CYS  57           HA       CYS  57   2.145  -1.080  -5.501
  387   1HB   CYS  57          HB2       CYS  57   1.223   0.753  -7.726
  388   2HB   CYS  57          HB1       CYS  57   0.219  -0.075  -6.541
  389    H    THR  58           H        THR  58   1.097  -2.834  -6.499
  390    HA   THR  58           HA       THR  58   2.365  -3.766  -8.993
  391    HB   THR  58           HB       THR  58   1.463  -5.916  -8.466
  392    HG1  THR  58           HG1      THR  58  -0.337  -4.363  -7.023
  393   1HG2  THR  58          1HG2      THR  58   3.308  -5.103  -6.983
  394   2HG2  THR  58          2HG2      THR  58   2.263  -6.289  -6.203
  395   3HG2  THR  58          3HG2      THR  58   2.090  -4.577  -5.822
  396    H    GLY  59           H        GLY  59  -0.074  -1.732  -8.419
  397   1HA   GLY  59          HA2       GLY  59  -1.631  -0.950 -10.062
  398   2HA   GLY  59          HA1       GLY  59  -1.441  -2.474 -10.930
  399    H    GLN  60           H        GLN  60  -1.800  -3.894  -8.235
  400    HA   GLN  60           HA       GLN  60  -4.763  -3.532  -8.040
  401   1HB   GLN  60          HB2       GLN  60  -3.451  -6.185  -7.524
  402   2HB   GLN  60          HB1       GLN  60  -5.105  -5.843  -8.029
  403   1HG   GLN  60          HG2       GLN  60  -4.443  -5.366 -10.260
  404   2HG   GLN  60          HG1       GLN  60  -2.742  -5.234  -9.811
  405   1HE2  GLN  60          1HE2      GLN  60  -4.909  -7.815  -8.651
  406   2HE2  GLN  60          2HE2      GLN  60  -4.109  -9.077  -9.457
  407    H    SER  61           H        SER  61  -1.964  -3.056  -6.417
  408    HA   SER  61           HA       SER  61  -2.971  -4.077  -3.808
  409   1HB   SER  61          HB2       SER  61  -0.414  -2.569  -3.968
  410   2HB   SER  61          HB1       SER  61  -0.803  -4.033  -3.068
  411    HG   SER  61           HG       SER  61   0.088  -5.068  -4.652
  412    H    ALA  62           H        ALA  62  -3.844  -2.715  -2.294
  413    HA   ALA  62           HA       ALA  62  -4.100   0.149  -3.005
  414   1HB   ALA  62          HB1       ALA  62  -5.311  -1.527  -0.779
  415   2HB   ALA  62          HB2       ALA  62  -6.131  -0.928  -2.219
  416   3HB   ALA  62          HB3       ALA  62  -5.603   0.201  -0.974
  417    H    ASP  63           H        ASP  63  -2.807  -1.850  -0.324
  418    HA   ASP  63           HA       ASP  63  -1.607   0.595   0.806
  419   1HB   ASP  63          HB2       ASP  63  -1.035  -2.159   1.851
  420   2HB   ASP  63          HB1       ASP  63  -1.057  -0.613   2.713
  421    H    CYS  64           H        CYS  64   0.862   0.081   1.544
  422    HA   CYS  64           HA       CYS  64   2.194  -1.101  -0.851
  423   1HB   CYS  64          HB2       CYS  64   3.311   1.355   0.458
  424   2HB   CYS  64          HB1       CYS  64   3.494   0.794  -1.207
  425    HA   PRO  65           HA       PRO  65   4.382  -3.169   2.369
  426   1HB   PRO  65          HB2       PRO  65   5.716  -4.818   0.636
  427   2HB   PRO  65          HB1       PRO  65   4.054  -5.104   1.157
  428   1HG   PRO  65          HG2       PRO  65   5.083  -4.140  -1.463
  429   2HG   PRO  65          HG1       PRO  65   3.560  -4.967  -1.095
  430   1HD   PRO  65          HD2       PRO  65   3.887  -2.195  -1.556
  431   2HD   PRO  65          HD1       PRO  65   2.440  -2.991  -0.901
  432    H    ARG  66           H        ARG  66   6.983  -4.091   1.983
  433    HA   ARG  66           HA       ARG  66   8.463  -1.541   1.515
  434   1HB   ARG  66          HB2       ARG  66   8.514  -3.387   3.661
  435   2HB   ARG  66          HB1       ARG  66  10.046  -3.579   2.808
  436   1HG   ARG  66          HG2       ARG  66  10.310  -1.073   2.875
  437   2HG   ARG  66          HG1       ARG  66   8.887  -1.008   3.916
  438   1HD   ARG  66          HD2       ARG  66  11.236  -2.773   4.599
  439   2HD   ARG  66          HD1       ARG  66  11.206  -1.073   5.064
  440    HE   ARG  66           HE       ARG  66   8.755  -2.167   5.915
  441   1HH1  ARG  66          1HH1      ARG  66  10.630  -4.529   6.403
  442   2HH1  ARG  66          2HH1      ARG  66  11.108  -4.239   8.043
  443   1HH2  ARG  66          1HH2      ARG  66  10.013  -0.949   8.059
  444   2HH2  ARG  66          2HH2      ARG  66  10.758  -2.211   8.981
  445    H    TYR  67           H        TYR  67  10.987  -2.369   1.067
  446    HA   TYR  67           HA       TYR  67  11.024  -4.553  -0.904
  447   1HB   TYR  67          HB2       TYR  67  10.206  -2.671  -2.258
  448   2HB   TYR  67          HB1       TYR  67  11.563  -1.680  -1.722
  449    HD1  TYR  67           HD1      TYR  67  11.122  -5.178  -3.030
  450    HD2  TYR  67           HD2      TYR  67  13.249  -1.457  -3.305
  451    HE1  TYR  67           HE1      TYR  67  12.524  -6.114  -4.848
  452    HE2  TYR  67           HE2      TYR  67  14.653  -2.393  -5.122
  453    HH   TYR  67           HH       TYR  67  15.344  -4.975  -5.762
  454    H    HIS  68           H        HIS  68  12.441  -4.859   1.225
  455    HA   HIS  68           HA       HIS  68  15.037  -3.499   1.125
  456   1HB   HIS  68          HB2       HIS  68  13.973  -4.227   3.276
  457   2HB   HIS  68          HB1       HIS  68  14.189  -5.904   2.771
  458    HD1  HIS  68           HD1      HIS  68  16.603  -6.849   2.739
  459    HD2  HIS  68           HD2      HIS  68  16.381  -2.884   4.007
  460    HE1  HIS  68           HE1      HIS  68  18.864  -6.288   3.734
  Start of MODEL    6
    1   1H    GLY   1          HT1       GLY   1 -14.288 -14.649   5.072
    2   2H    GLY   1          HT2       GLY   1 -13.870 -14.190   3.490
    3   3H    GLY   1          HT3       GLY   1 -14.302 -13.010   4.635
    4   1HA   GLY   1          HA1       GLY   1 -12.230 -14.369   5.809
    5   2HA   GLY   1          HA2       GLY   1 -11.760 -14.182   4.119
    6    H    LYS   2           H        LYS   2 -12.038 -11.918   3.219
    7    HA   LYS   2           HA       LYS   2 -10.720 -10.014   4.924
    8   1HB   LYS   2          HB2       LYS   2 -10.781 -10.156   2.321
    9   2HB   LYS   2          HB1       LYS   2 -12.279  -9.237   2.465
   10   1HG   LYS   2          HG2       LYS   2 -10.966  -7.395   2.520
   11   2HG   LYS   2          HG1       LYS   2 -10.561  -7.885   4.165
   12   1HD   LYS   2          HD2       LYS   2  -8.832  -9.456   2.840
   13   2HD   LYS   2          HD1       LYS   2  -8.966  -8.151   1.662
   14   1HE   LYS   2          HE2       LYS   2  -8.335  -6.504   3.334
   15   2HE   LYS   2          HE1       LYS   2  -8.349  -7.733   4.600
   16   1HZ   LYS   2          HZ1       LYS   2  -6.626  -8.916   3.199
   17   2HZ   LYS   2          HZ2       LYS   2  -6.119  -7.498   3.988
   18   3HZ   LYS   2          HZ3       LYS   2  -6.474  -7.469   2.327
   19    H    GLU   3           H        GLU   3 -11.728  -9.061   6.632
   20    HA   GLU   3           HA       GLU   3 -14.644  -8.481   6.411
   21   1HB   GLU   3          HB2       GLU   3 -12.821  -8.537   8.835
   22   2HB   GLU   3          HB1       GLU   3 -14.557  -8.222   8.874
   23   1HG   GLU   3          HG2       GLU   3 -14.918 -10.461   7.788
   24   2HG   GLU   3          HG1       GLU   3 -13.192 -10.773   7.974
   25    H    CYS   4           H        CYS   4 -11.543  -6.991   6.483
   26    HA   CYS   4           HA       CYS   4 -12.891  -4.330   6.586
   27   1HB   CYS   4          HB2       CYS   4 -11.765  -4.618   8.720
   28   2HB   CYS   4          HB1       CYS   4 -10.280  -5.117   7.910
   29    H    ASP   5           H        ASP   5 -12.384  -3.073   4.849
   30    HA   ASP   5           HA       ASP   5 -10.163  -4.007   3.090
   31   1HB   ASP   5          HB2       ASP   5 -12.827  -3.281   2.539
   32   2HB   ASP   5          HB1       ASP   5 -11.841  -1.951   1.928
   33    H    CYS   6           H        CYS   6 -11.271  -1.333   5.033
   34    HA   CYS   6           HA       CYS   6  -8.974   0.300   4.032
   35   1HB   CYS   6          HB2       CYS   6 -10.169   2.264   4.774
   36   2HB   CYS   6          HB1       CYS   6 -11.291   1.290   3.821
   37    H    SER   7           H        SER   7  -7.330   0.672   5.452
   38    HA   SER   7           HA       SER   7  -7.395  -0.558   8.082
   39   1HB   SER   7          HB2       SER   7  -5.128   0.487   8.317
   40   2HB   SER   7          HB1       SER   7  -5.298  -0.475   6.852
   41    HG   SER   7           HG       SER   7  -4.534   1.985   6.979
   42    H    SER   8           H        SER   8  -8.402   2.462   6.859
   43    HA   SER   8           HA       SER   8  -8.072   3.809   9.481
   44   1HB   SER   8          HB2       SER   8  -8.764   4.721   6.707
   45   2HB   SER   8          HB1       SER   8  -9.220   5.718   8.085
   46    HG   SER   8           HG       SER   8  -6.627   4.683   7.996
   47    HA   PRO   9           HA       PRO   9 -12.300   2.583  10.304
   48   1HB   PRO   9          HB2       PRO   9 -12.321   3.534  12.885
   49   2HB   PRO   9          HB1       PRO   9 -11.609   1.980  12.420
   50   1HG   PRO   9          HG2       PRO   9 -10.240   4.530  13.138
   51   2HG   PRO   9          HG1       PRO   9  -9.657   2.864  13.283
   52   1HD   PRO   9          HD2       PRO   9  -8.938   4.698  11.251
   53   2HD   PRO   9          HD1       PRO   9  -8.637   2.947  11.231
   54    H    GLU  10           H        GLU  10 -10.881   5.760  10.577
   55    HA   GLU  10           HA       GLU  10 -13.547   7.051  10.784
   56   1HB   GLU  10          HB2       GLU  10 -12.263   9.145  11.030
   57   2HB   GLU  10          HB1       GLU  10 -11.716   7.938  12.192
   58   1HG   GLU  10          HG2       GLU  10 -10.223   7.559   9.792
   59   2HG   GLU  10          HG1       GLU  10 -10.181   9.279  10.184
   60    H    ASN  11           H        ASN  11 -12.308   5.585   8.373
   61    HA   ASN  11           HA       ASN  11 -12.140   7.773   6.397
   62   1HB   ASN  11          HB2       ASN  11 -10.659   5.655   6.440
   63   2HB   ASN  11          HB1       ASN  11 -12.072   4.814   5.804
   64   1HD2  ASN  11          1HD2      ASN  11 -11.457   4.487   3.630
   65   2HD2  ASN  11          2HD2      ASN  11 -11.030   5.740   2.568
   66    HA   PRO  12           HA       PRO  12 -16.480   7.223   5.528
   67   1HB   PRO  12          HB2       PRO  12 -16.589   9.090   3.512
   68   2HB   PRO  12          HB1       PRO  12 -16.585   9.511   5.233
   69   1HG   PRO  12          HG2       PRO  12 -14.384   9.757   3.236
   70   2HG   PRO  12          HG1       PRO  12 -14.665  10.688   4.717
   71   1HD   PRO  12          HD2       PRO  12 -12.794   8.584   4.412
   72   2HD   PRO  12          HD1       PRO  12 -13.322   9.297   5.951
   73    H    CYS  13           H        CYS  13 -13.840   6.823   3.311
   74    HA   CYS  13           HA       CYS  13 -15.353   5.946   1.017
   75   1HB   CYS  13          HB2       CYS  13 -12.817   6.672   1.297
   76   2HB   CYS  13          HB1       CYS  13 -12.581   4.945   1.565
   77    H    CYS  14           H        CYS  14 -14.967   4.561   4.044
   78    HA   CYS  14           HA       CYS  14 -15.831   1.931   2.983
   79   1HB   CYS  14          HB2       CYS  14 -14.221   0.701   4.294
   80   2HB   CYS  14          HB1       CYS  14 -13.329   1.886   3.339
   81    H    ASP  15           H        ASP  15 -17.248   0.860   4.377
   82    HA   ASP  15           HA       ASP  15 -18.539   2.451   6.409
   83   1HB   ASP  15          HB2       ASP  15 -19.643   0.635   5.036
   84   2HB   ASP  15          HB1       ASP  15 -18.767  -0.545   6.012
   85    H    ALA  16           H        ALA  16 -17.829   2.739   8.459
   86    HA   ALA  16           HA       ALA  16 -15.557   1.286   9.500
   87   1HB   ALA  16          HB1       ALA  16 -15.543   2.892  11.110
   88   2HB   ALA  16          HB2       ALA  16 -17.262   2.696  11.451
   89   3HB   ALA  16          HB3       ALA  16 -16.742   3.688  10.089
   90    H    ALA  17           H        ALA  17 -19.030   0.908   9.745
   91    HA   ALA  17           HA       ALA  17 -19.187  -0.698  12.075
   92   1HB   ALA  17          HB1       ALA  17 -20.819  -0.570   9.544
   93   2HB   ALA  17          HB2       ALA  17 -21.258  -0.034  11.167
   94   3HB   ALA  17          HB3       ALA  17 -21.188  -1.758  10.795
   95    H    THR  18           H        THR  18 -18.380  -1.558   8.729
   96    HA   THR  18           HA       THR  18 -17.699  -4.303   9.704
   97    HB   THR  18           HB       THR  18 -19.445  -4.327   7.983
   98    HG1  THR  18           HG1      THR  18 -17.875  -5.962   7.904
   99   1HG2  THR  18          1HG2      THR  18 -19.445  -2.706   6.427
  100   2HG2  THR  18          2HG2      THR  18 -18.053  -3.485   5.677
  101   3HG2  THR  18          3HG2      THR  18 -17.811  -2.222   6.883
  102    H    CYS  19           H        CYS  19 -16.470  -1.369   8.453
  103    HA   CYS  19           HA       CYS  19 -14.219  -0.740   8.134
  104   1HB   CYS  19          HB2       CYS  19 -13.894  -2.789   9.783
  105   2HB   CYS  19          HB1       CYS  19 -13.310  -3.590   8.324
  106    H    LYS  20           H        LYS  20 -16.136  -1.949   6.067
  107    HA   LYS  20           HA       LYS  20 -14.047  -2.687   4.052
  108   1HB   LYS  20          HB2       LYS  20 -16.988  -3.418   4.145
  109   2HB   LYS  20          HB1       LYS  20 -15.903  -3.802   2.809
  110   1HG   LYS  20          HG2       LYS  20 -14.687  -4.613   5.293
  111   2HG   LYS  20          HG1       LYS  20 -16.307  -5.303   5.176
  112   1HD   LYS  20          HD2       LYS  20 -14.668  -5.406   2.702
  113   2HD   LYS  20          HD1       LYS  20 -14.137  -6.442   4.028
  114   1HE   LYS  20          HE2       LYS  20 -15.798  -7.518   2.445
  115   2HE   LYS  20          HE1       LYS  20 -16.281  -7.529   4.141
  116   1HZ   LYS  20          HZ1       LYS  20 -17.133  -5.489   2.161
  117   2HZ   LYS  20          HZ2       LYS  20 -17.666  -5.627   3.769
  118   3HZ   LYS  20          HZ3       LYS  20 -18.070  -6.822   2.631
  119    H    LEU  21           H        LEU  21 -14.691  -2.020   1.772
  120    HA   LEU  21           HA       LEU  21 -15.119   0.812   1.686
  121   1HB   LEU  21          HB2       LEU  21 -14.884  -1.376  -0.341
  122   2HB   LEU  21          HB1       LEU  21 -15.505   0.189  -0.863
  123    HG   LEU  21           HG       LEU  21 -13.219   0.598   0.835
  124   1HD1  LEU  21          1HD1      LEU  21 -13.068  -1.746  -0.844
  125   2HD1  LEU  21          2HD1      LEU  21 -11.854  -1.095   0.256
  126   3HD1  LEU  21          3HD1      LEU  21 -11.929  -0.525  -1.412
  127   1HD2  LEU  21          1HD2      LEU  21 -14.331   1.438  -1.711
  128   2HD2  LEU  21          2HD2      LEU  21 -12.586   1.221  -1.832
  129   3HD2  LEU  21          3HD2      LEU  21 -13.256   2.320  -0.625
  130    H    ARG  22           H        ARG  22 -16.986   1.954   1.537
  131    HA   ARG  22           HA       ARG  22 -19.532   0.491   1.604
  132   1HB   ARG  22          HB2       ARG  22 -18.585   2.976   2.593
  133   2HB   ARG  22          HB1       ARG  22 -19.884   3.336   1.457
  134   1HG   ARG  22          HG2       ARG  22 -20.707   1.085   2.990
  135   2HG   ARG  22          HG1       ARG  22 -20.093   2.295   4.118
  136   1HD   ARG  22          HD2       ARG  22 -21.514   3.937   2.581
  137   2HD   ARG  22          HD1       ARG  22 -22.414   2.458   2.242
  138    HE   ARG  22           HE       ARG  22 -22.998   2.331   4.602
  139   1HH1  ARG  22          1HH2      ARG  22 -20.539   4.629   4.249
  140   2HH1  ARG  22          2HH2      ARG  22 -21.204   5.755   5.383
  141   1HH2  ARG  22          1HH1      ARG  22 -24.150   3.979   5.821
  142   2HH2  ARG  22          2HH1      ARG  22 -23.249   5.386   6.276
  143    HA   PRO  23           HA       PRO  23 -20.206   2.986  -2.406
  144   1HB   PRO  23          HB2       PRO  23 -18.097   4.465  -3.370
  145   2HB   PRO  23          HB1       PRO  23 -19.309   5.099  -2.244
  146   1HG   PRO  23          HG2       PRO  23 -16.484   4.319  -1.713
  147   2HG   PRO  23          HG1       PRO  23 -17.515   5.464  -0.839
  148   1HD   PRO  23          HD2       PRO  23 -16.898   2.814  -0.041
  149   2HD   PRO  23          HD1       PRO  23 -18.137   3.866   0.675
  150    H    GLY  24           H        GLY  24 -18.680   3.224  -4.742
  151   1HA   GLY  24          HA2       GLY  24 -17.939   0.403  -5.186
  152   2HA   GLY  24          HA1       GLY  24 -18.139   1.629  -6.438
  153    H    ALA  25           H        ALA  25 -16.235   2.477  -3.679
  154    HA   ALA  25           HA       ALA  25 -13.892   2.916  -5.323
  155   1HB   ALA  25          HB1       ALA  25 -12.848   3.227  -2.926
  156   2HB   ALA  25          HB2       ALA  25 -14.528   3.144  -2.391
  157   3HB   ALA  25          HB3       ALA  25 -14.023   4.401  -3.520
  158    H    GLN  26           H        GLN  26 -12.147   1.549  -5.641
  159    HA   GLN  26           HA       GLN  26 -12.408  -1.227  -4.848
  160   1HB   GLN  26          HB2       GLN  26 -10.754   0.330  -6.636
  161   2HB   GLN  26          HB1       GLN  26  -9.744  -0.743  -5.668
  162   1HG   GLN  26          HG2       GLN  26 -10.371  -2.472  -6.960
  163   2HG   GLN  26          HG1       GLN  26 -12.040  -2.231  -6.442
  164   1HE2  GLN  26          1HE2      GLN  26  -9.858  -1.913  -9.118
  165   2HE2  GLN  26          2HE2      GLN  26 -10.940  -1.155 -10.183
  166    H    CYS  27           H        CYS  27 -10.906   1.579  -3.483
  167    HA   CYS  27           HA       CYS  27 -10.121   0.011  -1.121
  168   1HB   CYS  27          HB2       CYS  27  -7.799   1.022  -1.162
  169   2HB   CYS  27          HB1       CYS  27  -8.085  -0.201  -2.400
  170    H    GLY  28           H        GLY  28 -10.638   1.233   0.637
  171   1HA   GLY  28          HA2       GLY  28 -11.450   4.014   0.243
  172   2HA   GLY  28          HA1       GLY  28 -11.531   3.124   1.763
  173    H    GLU  29           H        GLU  29  -8.574   2.371   1.195
  174    HA   GLU  29           HA       GLU  29  -7.154   4.906   1.422
  175   1HB   GLU  29          HB2       GLU  29  -8.168   4.683   3.692
  176   2HB   GLU  29          HB1       GLU  29  -7.338   3.138   3.881
  177   1HG   GLU  29          HG2       GLU  29  -5.596   5.359   3.025
  178   2HG   GLU  29          HG1       GLU  29  -6.289   5.553   4.635
  179    H    GLY  30           H        GLY  30  -4.817   4.556   1.523
  180   1HA   GLY  30          HA2       GLY  30  -3.392   2.223   1.845
  181   2HA   GLY  30          HA1       GLY  30  -4.037   2.065   0.212
  182    H    LEU  31           H        LEU  31  -1.236   2.349   0.948
  183    HA   LEU  31           HA       LEU  31  -0.354   5.056   0.451
  184   1HB   LEU  31          HB2       LEU  31   0.950   2.356   0.546
  185   2HB   LEU  31          HB1       LEU  31   1.838   3.707  -0.159
  186    HG   LEU  31           HG       LEU  31   2.241   3.394   2.308
  187   1HD1  LEU  31          1HD1      LEU  31   1.426   5.825   0.900
  188   2HD1  LEU  31          2HD1      LEU  31   2.799   5.558   1.973
  189   3HD1  LEU  31          3HD1      LEU  31   1.217   5.955   2.646
  190   1HD2  LEU  31          1HD2      LEU  31   0.515   3.785   3.880
  191   2HD2  LEU  31          2HD2      LEU  31  -0.253   2.769   2.661
  192   3HD2  LEU  31          3HD2      LEU  31  -0.543   4.509   2.669
  193    H    CYS  32           H        CYS  32  -1.353   2.427  -1.584
  194    HA   CYS  32           HA       CYS  32  -0.445   3.991  -3.971
  195   1HB   CYS  32          HB2       CYS  32  -0.998   1.027  -4.000
  196   2HB   CYS  32          HB1       CYS  32  -0.057   1.981  -5.147
  197    H    CYS  33           H        CYS  33  -2.781   4.873  -3.102
  198    HA   CYS  33           HA       CYS  33  -4.713   3.667  -5.006
  199   1HB   CYS  33          HB2       CYS  33  -4.959   3.714  -2.064
  200   2HB   CYS  33          HB1       CYS  33  -6.377   4.301  -2.933
  201    H    GLU  34           H        GLU  34  -5.496   5.270  -6.252
  202    HA   GLU  34           HA       GLU  34  -5.565   8.032  -5.110
  203   1HB   GLU  34          HB2       GLU  34  -3.990   8.054  -6.893
  204   2HB   GLU  34          HB1       GLU  34  -5.007   7.032  -7.908
  205   1HG   GLU  34          HG2       GLU  34  -6.554   8.786  -8.313
  206   2HG   GLU  34          HG1       GLU  34  -5.917   9.762  -6.989
  207    H    GLN  35           H        GLN  35  -7.548   9.018  -5.080
  208    HA   GLN  35           HA       GLN  35  -9.832   9.380  -5.493
  209   1HB   GLN  35          HB2       GLN  35  -8.792   8.559  -7.953
  210   2HB   GLN  35          HB1       GLN  35 -10.176   7.497  -7.691
  211   1HG   GLN  35          HG2       GLN  35 -11.545   9.179  -8.279
  212   2HG   GLN  35          HG1       GLN  35 -10.974  10.100  -6.886
  213   1HE2  GLN  35          1HE2      GLN  35 -11.638  11.446  -9.298
  214   2HE2  GLN  35          2HE2      GLN  35 -10.216  12.056  -9.996
  215    H    CYS  36           H        CYS  36  -8.781   7.167  -3.822
  216    HA   CYS  36           HA       CYS  36  -9.701   5.406  -2.573
  217   1HB   CYS  36          HB2       CYS  36 -12.034   6.762  -3.791
  218   2HB   CYS  36          HB1       CYS  36 -12.309   5.093  -3.295
  219    H    LYS  37           H        LYS  37  -8.666   5.094  -5.430
  220    HA   LYS  37           HA       LYS  37  -9.918   2.421  -5.909
  221   1HB   LYS  37          HB2       LYS  37  -9.763   4.685  -7.686
  222   2HB   LYS  37          HB1       LYS  37  -8.820   3.349  -8.349
  223   1HG   LYS  37          HG2       LYS  37 -11.058   2.044  -7.451
  224   2HG   LYS  37          HG1       LYS  37 -11.735   3.585  -7.978
  225   1HD   LYS  37          HD2       LYS  37 -10.134   3.129 -10.076
  226   2HD   LYS  37          HD1       LYS  37 -10.395   1.456  -9.582
  227   1HE   LYS  37          HE2       LYS  37 -12.898   2.042  -9.514
  228   2HE   LYS  37          HE1       LYS  37 -12.461   3.502 -10.400
  229   1HZ   LYS  37          HZ1       LYS  37 -13.038   1.851 -11.979
  230   2HZ   LYS  37          HZ2       LYS  37 -12.040   0.690 -11.243
  231   3HZ   LYS  37          HZ3       LYS  37 -11.352   2.021 -12.044
  232    H    PHE  38           H        PHE  38  -8.417   0.904  -7.044
  233    HA   PHE  38           HA       PHE  38  -5.838   0.877  -5.762
  234   1HB   PHE  38          HB2       PHE  38  -7.071  -0.762  -7.982
  235   2HB   PHE  38          HB1       PHE  38  -5.422  -1.039  -7.425
  236    HD1  PHE  38           HD1      PHE  38  -5.457  -0.737  -4.590
  237    HD2  PHE  38           HD2      PHE  38  -8.505  -2.388  -7.129
  238    HE1  PHE  38           HE1      PHE  38  -6.326  -2.067  -2.684
  239    HE2  PHE  38           HE2      PHE  38  -9.374  -3.715  -5.223
  240    HZ   PHE  38           HZ       PHE  38  -8.285  -3.555  -3.001
  241    H    SER  39           H        SER  39  -4.221   2.253  -6.347
  242    HA   SER  39           HA       SER  39  -4.086   3.761  -8.722
  243   1HB   SER  39          HB2       SER  39  -1.734   2.743  -7.098
  244   2HB   SER  39          HB1       SER  39  -1.726   4.126  -8.188
  245    HG   SER  39           HG       SER  39  -3.639   4.742  -6.710
  246    H    ARG  40           H        ARG  40  -1.844   3.368 -10.137
  247    HA   ARG  40           HA       ARG  40  -2.258   0.656 -11.316
  248   1HB   ARG  40          HB2       ARG  40  -1.441   3.317 -12.450
  249   2HB   ARG  40          HB1       ARG  40  -0.928   1.839 -13.263
  250   1HG   ARG  40          HG2       ARG  40  -3.739   1.722 -12.512
  251   2HG   ARG  40          HG1       ARG  40  -3.402   3.105 -13.554
  252   1HD   ARG  40          HD2       ARG  40  -2.178   0.484 -14.298
  253   2HD   ARG  40          HD1       ARG  40  -3.909   0.684 -14.569
  254    HE   ARG  40           HE       ARG  40  -1.769   2.287 -15.871
  255   1HH1  ARG  40          1HH1      ARG  40  -4.300   0.442 -16.704
  256   2HH1  ARG  40          2HH1      ARG  40  -5.187   1.644 -17.580
  257   1HH2  ARG  40          1HH2      ARG  40  -3.242   4.284 -16.448
  258   2HH2  ARG  40          2HH2      ARG  40  -4.589   3.821 -17.434
  259    H    ALA  41           H        ALA  41  -0.375  -0.595 -11.872
  260    HA   ALA  41           HA       ALA  41   1.707  -0.683 -10.008
  261   1HB   ALA  41          HB1       ALA  41   2.135  -2.523 -11.232
  262   2HB   ALA  41          HB2       ALA  41   2.831  -1.494 -12.484
  263   3HB   ALA  41          HB3       ALA  41   1.121  -1.918 -12.542
  264    H    GLY  42           H        GLY  42   4.143  -0.288 -10.678
  265   1HA   GLY  42          HA2       GLY  42   5.796   1.296 -11.268
  266   2HA   GLY  42          HA1       GLY  42   4.644   1.976 -12.415
  267    H    LYS  43           H        LYS  43   3.776   1.523  -9.057
  268    HA   LYS  43           HA       LYS  43   3.720   4.506  -8.781
  269   1HB   LYS  43          HB2       LYS  43   1.525   3.476  -8.543
  270   2HB   LYS  43          HB1       LYS  43   2.152   2.347  -7.343
  271   1HG   LYS  43          HG2       LYS  43   0.930   4.313  -6.351
  272   2HG   LYS  43          HG1       LYS  43   2.591   4.143  -5.784
  273   1HD   LYS  43          HD2       LYS  43   3.209   6.116  -6.696
  274   2HD   LYS  43          HD1       LYS  43   2.399   5.751  -8.220
  275   1HE   LYS  43          HE2       LYS  43   0.538   6.265  -6.006
  276   2HE   LYS  43          HE1       LYS  43   1.561   7.647  -6.397
  277   1HZ   LYS  43          HZ1       LYS  43  -0.164   6.127  -8.273
  278   2HZ   LYS  43          HZ2       LYS  43   0.926   7.343  -8.745
  279   3HZ   LYS  43          HZ3       LYS  43  -0.395   7.722  -7.744
  280    H    ILE  44           H        ILE  44   5.169   5.391  -7.408
  281    HA   ILE  44           HA       ILE  44   6.894   3.668  -5.814
  282    HB   ILE  44           HB       ILE  44   6.819   6.511  -6.632
  283   1HG1  ILE  44          2HG1      ILE  44   8.327   4.819  -7.606
  284   2HG1  ILE  44          1HG1      ILE  44   9.247   6.098  -6.812
  285   1HG2  ILE  44          1HG2      ILE  44   8.129   5.709  -4.013
  286   2HG2  ILE  44          2HG2      ILE  44   6.758   6.806  -4.178
  287   3HG2  ILE  44          3HG2      ILE  44   8.332   7.259  -4.830
  288   1HD1  ILE  44          1HD1      ILE  44   9.420   3.332  -6.308
  289   2HD1  ILE  44          2HD1      ILE  44   8.581   4.017  -4.916
  290   3HD1  ILE  44          3HD1      ILE  44  10.169   4.629  -5.376
  291    H    CYS  45           H        CYS  45   6.294   2.935  -3.856
  292    HA   CYS  45           HA       CYS  45   4.358   4.547  -2.253
  293   1HB   CYS  45          HB2       CYS  45   4.281   2.328  -0.884
  294   2HB   CYS  45          HB1       CYS  45   3.429   2.410  -2.420
  295    H    ARG  46           H        ARG  46   7.560   3.219  -2.337
  296    HA   ARG  46           HA       ARG  46   8.131   4.571   0.265
  297   1HB   ARG  46          HB2       ARG  46   9.426   1.993  -0.660
  298   2HB   ARG  46          HB1       ARG  46   9.602   2.773   0.912
  299   1HG   ARG  46          HG2       ARG  46   6.804   2.268   0.219
  300   2HG   ARG  46          HG1       ARG  46   7.762   0.788   0.296
  301   1HD   ARG  46          HD2       ARG  46   8.687   1.785   2.516
  302   2HD   ARG  46          HD1       ARG  46   7.263   2.823   2.457
  303    HE   ARG  46           HE       ARG  46   5.931   0.638   2.342
  304   1HH1  ARG  46          1HH2      ARG  46   8.585   1.315   4.337
  305   2HH1  ARG  46          2HH2      ARG  46   8.631  -0.248   5.081
  306   1HH2  ARG  46          1HH1      ARG  46   6.199  -1.598   3.009
  307   2HH2  ARG  46          2HH1      ARG  46   7.279  -1.897   4.330
  308    H    ILE  47           H        ILE  47  10.798   4.498   0.348
  309    HA   ILE  47           HA       ILE  47  11.685   5.427  -2.338
  310    HB   ILE  47           HB       ILE  47  11.180   7.045  -0.088
  311   1HG1  ILE  47          2HG1      ILE  47  12.269   7.299  -2.846
  312   2HG1  ILE  47          1HG1      ILE  47  10.876   8.078  -2.110
  313   1HG2  ILE  47          1HG2      ILE  47  13.278   7.983   0.558
  314   2HG2  ILE  47          2HG2      ILE  47  14.147   7.079  -0.680
  315   3HG2  ILE  47          3HG2      ILE  47  13.462   6.235   0.707
  316   1HD1  ILE  47          1HD1      ILE  47  12.541   9.776  -2.510
  317   2HD1  ILE  47          2HD1      ILE  47  13.786   8.809  -1.718
  318   3HD1  ILE  47          3HD1      ILE  47  12.466   9.495  -0.770
  319    HA   PRO  48           HA       PRO  48  15.300   3.078  -1.640
  320   1HB   PRO  48          HB2       PRO  48  17.163   4.594  -2.978
  321   2HB   PRO  48          HB1       PRO  48  15.930   3.613  -3.787
  322   1HG   PRO  48          HG2       PRO  48  16.055   6.570  -3.456
  323   2HG   PRO  48          HG1       PRO  48  15.249   5.614  -4.710
  324   1HD   PRO  48          HD2       PRO  48  13.996   6.842  -2.492
  325   2HD   PRO  48          HD1       PRO  48  13.263   5.638  -3.572
  326    H    ARG  49           H        ARG  49  16.554   2.881   0.171
  327    HA   ARG  49           HA       ARG  49  17.741   5.370   1.337
  328   1HB   ARG  49          HB2       ARG  49  15.978   3.483   2.536
  329   2HB   ARG  49          HB1       ARG  49  17.563   3.259   3.279
  330   1HG   ARG  49          HG2       ARG  49  16.538   4.956   4.582
  331   2HG   ARG  49          HG1       ARG  49  17.622   5.828   3.498
  332   1HD   ARG  49          HD2       ARG  49  15.701   6.189   1.938
  333   2HD   ARG  49          HD1       ARG  49  14.639   5.434   3.127
  334    HE   ARG  49           HE       ARG  49  15.894   7.440   4.559
  335   1HH1  ARG  49          1HH1      ARG  49  15.994   8.695   1.744
  336   2HH1  ARG  49          2HH1      ARG  49  14.555   9.659   1.778
  337   1HH2  ARG  49          1HH2      ARG  49  13.230   8.061   4.555
  338   2HH2  ARG  49          2HH2      ARG  49  12.993   9.303   3.372
  339    H    GLY  50           H        GLY  50  19.358   4.484  -0.424
  340   1HA   GLY  50          HA2       GLY  50  21.807   3.920   0.386
  341   2HA   GLY  50          HA1       GLY  50  21.089   2.333   0.677
  342    H    GLU  51           H        GLU  51  20.657   0.999  -1.101
  343    HA   GLU  51           HA       GLU  51  21.995   1.682  -3.596
  344   1HB   GLU  51          HB2       GLU  51  20.924  -0.533  -4.348
  345   2HB   GLU  51          HB1       GLU  51  22.061  -0.625  -3.003
  346   1HG   GLU  51          HG2       GLU  51  19.417  -0.058  -2.002
  347   2HG   GLU  51          HG1       GLU  51  19.370  -1.492  -3.028
  348    H    MET  52           H        MET  52  19.156   0.070  -4.463
  349    HA   MET  52           HA       MET  52  17.682   2.608  -4.937
  350   1HB   MET  52          HB2       MET  52  17.251   1.740  -7.318
  351   2HB   MET  52          HB1       MET  52  18.854   2.400  -6.992
  352   1HG   MET  52          HG2       MET  52  19.858   0.399  -7.329
  353   2HG   MET  52          HG1       MET  52  18.653  -0.456  -6.366
  354   1HE   MET  52          HE1       MET  52  19.861  -1.531  -9.656
  355   2HE   MET  52          HE2       MET  52  18.518  -2.611  -9.291
  356   3HE   MET  52          HE3       MET  52  19.565  -2.049  -7.990
  357    HA   PRO  53           HA       PRO  53  15.015  -1.082  -3.885
  358   1HB   PRO  53          HB2       PRO  53  14.377  -0.374  -1.309
  359   2HB   PRO  53          HB1       PRO  53  15.764  -1.398  -1.716
  360   1HG   PRO  53          HG2       PRO  53  15.728   1.453  -0.857
  361   2HG   PRO  53          HG1       PRO  53  17.018   0.251  -0.696
  362   1HD   PRO  53          HD2       PRO  53  16.886   2.315  -2.643
  363   2HD   PRO  53          HD1       PRO  53  18.012   0.949  -2.629
  364    H    ASP  54           H        ASP  54  14.323   1.160  -5.377
  365    HA   ASP  54           HA       ASP  54  12.298   2.803  -4.181
  366   1HB   ASP  54          HB2       ASP  54  12.524   1.948  -7.078
  367   2HB   ASP  54          HB1       ASP  54  11.714   3.382  -6.457
  368    H    ASP  55           H        ASP  55  10.597   1.765  -3.165
  369    HA   ASP  55           HA       ASP  55   9.512  -0.748  -4.066
  370   1HB   ASP  55          HB2       ASP  55   9.363   0.461  -1.725
  371   2HB   ASP  55          HB1       ASP  55   7.895   1.161  -2.409
  372    H    ARG  56           H        ARG  56   8.081  -1.110  -5.676
  373    HA   ARG  56           HA       ARG  56   6.531   1.215  -6.744
  374   1HB   ARG  56          HB2       ARG  56   8.433   0.070  -8.147
  375   2HB   ARG  56          HB1       ARG  56   7.226  -1.193  -8.394
  376   1HG   ARG  56          HG2       ARG  56   6.400   0.079 -10.051
  377   2HG   ARG  56          HG1       ARG  56   5.819   1.177  -8.798
  378   1HD   ARG  56          HD2       ARG  56   7.167   2.411 -10.439
  379   2HD   ARG  56          HD1       ARG  56   7.981   2.388  -8.875
  380    HE   ARG  56           HE       ARG  56   9.588   0.821  -9.781
  381   1HH1  ARG  56          1HH1      ARG  56   7.345  -0.259 -11.714
  382   2HH1  ARG  56          2HH1      ARG  56   8.085   0.113 -13.236
  383   1HH2  ARG  56          1HH2      ARG  56  10.474   2.216 -11.859
  384   2HH2  ARG  56          2HH2      ARG  56   9.856   1.517 -13.317
  385    H    CYS  57           H        CYS  57   4.419   0.963  -6.234
  386    HA   CYS  57           HA       CYS  57   3.259  -1.494  -5.343
  387   1HB   CYS  57          HB2       CYS  57   1.664   0.717  -6.632
  388   2HB   CYS  57          HB1       CYS  57   1.194  -0.348  -5.308
  389    H    THR  58           H        THR  58   1.880  -2.950  -6.456
  390    HA   THR  58           HA       THR  58   2.549  -3.322  -9.269
  391    HB   THR  58           HB       THR  58   1.535  -5.429  -9.072
  392    HG1  THR  58           HG1      THR  58   0.045  -5.740  -7.213
  393   1HG2  THR  58          1HG2      THR  58   2.535  -6.357  -7.186
  394   2HG2  THR  58          2HG2      THR  58   2.085  -4.999  -6.155
  395   3HG2  THR  58          3HG2      THR  58   3.401  -4.826  -7.316
  396    H    GLY  59           H        GLY  59   0.331  -1.379  -7.754
  397   1HA   GLY  59          HA2       GLY  59  -1.294  -0.034  -8.891
  398   2HA   GLY  59          HA1       GLY  59  -1.244  -1.171 -10.241
  399    H    GLN  60           H        GLN  60  -1.756  -3.578  -9.005
  400    HA   GLN  60           HA       GLN  60  -4.612  -3.352  -8.476
  401   1HB   GLN  60          HB2       GLN  60  -2.646  -5.630  -8.622
  402   2HB   GLN  60          HB1       GLN  60  -4.273  -5.896  -7.994
  403   1HG   GLN  60          HG2       GLN  60  -4.944  -4.550 -10.201
  404   2HG   GLN  60          HG1       GLN  60  -3.401  -5.197 -10.763
  405   1HE2  GLN  60          1HE2      GLN  60  -6.715  -5.965 -10.292
  406   2HE2  GLN  60          2HE2      GLN  60  -6.598  -7.640 -10.540
  407    H    SER  61           H        SER  61  -1.769  -3.245  -6.576
  408    HA   SER  61           HA       SER  61  -3.231  -4.077  -4.119
  409   1HB   SER  61          HB2       SER  61  -0.340  -3.224  -4.276
  410   2HB   SER  61          HB1       SER  61  -1.115  -4.231  -3.057
  411    HG   SER  61           HG       SER  61  -0.931  -5.907  -4.332
  412    H    ALA  62           H        ALA  62  -3.929  -2.574  -2.643
  413    HA   ALA  62           HA       ALA  62  -3.712   0.259  -3.333
  414   1HB   ALA  62          HB1       ALA  62  -4.944   0.477  -1.056
  415   2HB   ALA  62          HB2       ALA  62  -5.059  -1.282  -1.117
  416   3HB   ALA  62          HB3       ALA  62  -5.798  -0.304  -2.385
  417    H    ASP  63           H        ASP  63  -2.829  -1.612  -0.402
  418    HA   ASP  63           HA       ASP  63  -1.067   0.541   0.501
  419   1HB   ASP  63          HB2       ASP  63  -1.720  -2.226   1.513
  420   2HB   ASP  63          HB1       ASP  63  -0.414  -1.278   2.227
  421    H    CYS  64           H        CYS  64   1.280  -0.045   1.052
  422    HA   CYS  64           HA       CYS  64   2.433  -1.479  -1.287
  423   1HB   CYS  64          HB2       CYS  64   3.096   0.893  -0.890
  424   2HB   CYS  64          HB1       CYS  64   3.813   0.406   0.642
  425    HA   PRO  65           HA       PRO  65   3.423  -4.659   1.603
  426   1HB   PRO  65          HB2       PRO  65   4.315  -6.381  -0.326
  427   2HB   PRO  65          HB1       PRO  65   2.609  -6.139   0.043
  428   1HG   PRO  65          HG2       PRO  65   4.178  -5.239  -2.309
  429   2HG   PRO  65          HG1       PRO  65   2.428  -5.469  -2.150
  430   1HD   PRO  65          HD2       PRO  65   3.838  -2.993  -2.075
  431   2HD   PRO  65          HD1       PRO  65   2.117  -3.251  -1.723
  432    H    ARG  66           H        ARG  66   5.760  -5.374  -0.908
  433    HA   ARG  66           HA       ARG  66   7.954  -3.971   0.443
  434   1HB   ARG  66          HB2       ARG  66   7.336  -6.796   0.975
  435   2HB   ARG  66          HB1       ARG  66   8.999  -6.524   0.455
  436   1HG   ARG  66          HG2       ARG  66   7.762  -4.767   2.563
  437   2HG   ARG  66          HG1       ARG  66   8.443  -6.335   2.997
  438   1HD   ARG  66          HD2       ARG  66  10.580  -5.664   1.888
  439   2HD   ARG  66          HD1       ARG  66   9.892  -4.064   1.607
  440    HE   ARG  66           HE       ARG  66   9.735  -4.807   4.403
  441   1HH1  ARG  66          1HH2      ARG  66  12.213  -4.342   2.115
  442   2HH1  ARG  66          2HH2      ARG  66  13.096  -3.202   3.073
  443   1HH2  ARG  66          1HH1      ARG  66  10.687  -3.028   5.564
  444   2HH2  ARG  66          2HH1      ARG  66  12.231  -2.455   5.025
  445    H    TYR  67           H        TYR  67  10.127  -5.065  -0.604
  446    HA   TYR  67           HA       TYR  67   9.806  -4.633  -3.480
  447   1HB   TYR  67          HB2       TYR  67  11.804  -3.970  -1.894
  448   2HB   TYR  67          HB1       TYR  67  12.349  -5.613  -2.222
  449    HD1  TYR  67           HD1      TYR  67  12.833  -6.339  -4.553
  450    HD2  TYR  67           HD2      TYR  67  11.864  -2.266  -3.594
  451    HE1  TYR  67           HE1      TYR  67  13.719  -5.611  -6.751
  452    HE2  TYR  67           HE2      TYR  67  12.750  -1.538  -5.794
  453    HH   TYR  67           HH       TYR  67  14.744  -3.111  -7.581
  454    H    HIS  68           H        HIS  68  10.850  -7.343  -1.397
  455    HA   HIS  68           HA       HIS  68  10.788  -9.656  -1.800
  456   1HB   HIS  68          HB2       HIS  68   8.638  -8.527  -3.414
  457   2HB   HIS  68          HB1       HIS  68   9.330  -9.968  -4.161
  458    HD1  HIS  68           HD1      HIS  68   9.393  -9.660  -0.440
  459    HD2  HIS  68           HD2      HIS  68   7.053 -11.528  -3.343
  460    HE1  HIS  68           HE1      HIS  68   7.903 -11.301   0.786
  Start of MODEL    7
    1   1H    GLY   1          HT1       GLY   1 -11.544 -11.866  11.779
    2   2H    GLY   1          HT2       GLY   1 -11.403 -10.188  11.542
    3   3H    GLY   1          HT3       GLY   1 -10.771 -10.908  12.946
    4   1HA   GLY   1          HA1       GLY   1  -8.846 -10.762  11.797
    5   2HA   GLY   1          HA2       GLY   1  -9.429 -12.300  11.162
    6    H    LYS   2           H        LYS   2 -11.231 -11.799   9.325
    7    HA   LYS   2           HA       LYS   2  -9.907  -9.886   7.445
    8   1HB   LYS   2          HB2       LYS   2 -11.428 -12.457   6.953
    9   2HB   LYS   2          HB1       LYS   2 -11.024 -11.323   5.663
   10   1HG   LYS   2          HG2       LYS   2  -9.116 -12.570   5.526
   11   2HG   LYS   2          HG1       LYS   2  -8.603 -11.558   6.877
   12   1HD   LYS   2          HD2       LYS   2  -8.677 -13.285   8.337
   13   2HD   LYS   2          HD1       LYS   2 -10.233 -13.843   7.720
   14   1HE   LYS   2          HE2       LYS   2  -9.091 -15.575   6.822
   15   2HE   LYS   2          HE1       LYS   2  -8.486 -14.413   5.641
   16   1HZ   LYS   2          HZ1       LYS   2  -7.191 -15.402   8.096
   17   2HZ   LYS   2          HZ2       LYS   2  -6.748 -13.899   7.442
   18   3HZ   LYS   2          HZ3       LYS   2  -6.568 -15.315   6.521
   19    H    GLU   3           H        GLU   3 -11.262  -8.144   8.354
   20    HA   GLU   3           HA       GLU   3 -13.884  -8.048   7.000
   21   1HB   GLU   3          HB2       GLU   3 -14.940  -7.202   9.168
   22   2HB   GLU   3          HB1       GLU   3 -14.603  -8.932   9.098
   23   1HG   GLU   3          HG2       GLU   3 -12.721  -8.748  10.503
   24   2HG   GLU   3          HG1       GLU   3 -12.574  -7.012  10.228
   25    H    CYS   4           H        CYS   4 -11.616  -6.597   6.325
   26    HA   CYS   4           HA       CYS   4 -12.603  -3.889   6.638
   27   1HB   CYS   4          HB2       CYS   4 -11.405  -4.183   8.804
   28   2HB   CYS   4          HB1       CYS   4  -9.929  -4.543   7.911
   29    H    ASP   5           H        ASP   5 -12.056  -2.803   4.804
   30    HA   ASP   5           HA       ASP   5  -9.886  -3.962   3.115
   31   1HB   ASP   5          HB2       ASP   5 -12.438  -3.496   2.395
   32   2HB   ASP   5          HB1       ASP   5 -11.757  -1.911   2.029
   33    H    CYS   6           H        CYS   6 -10.895  -1.130   4.860
   34    HA   CYS   6           HA       CYS   6  -8.604   0.407   3.717
   35   1HB   CYS   6          HB2       CYS   6  -9.752   2.402   4.315
   36   2HB   CYS   6          HB1       CYS   6 -11.015   1.343   3.702
   37    H    SER   7           H        SER   7  -7.958   2.111   5.750
   38    HA   SER   7           HA       SER   7  -7.364   0.266   8.028
   39   1HB   SER   7          HB2       SER   7  -5.238   0.571   7.165
   40   2HB   SER   7          HB1       SER   7  -5.622   2.155   6.497
   41    HG   SER   7           HG       SER   7  -4.690   2.882   8.232
   42    H    SER   8           H        SER   8  -8.081   3.600   7.046
   43    HA   SER   8           HA       SER   8  -8.265   4.461   9.856
   44   1HB   SER   8          HB2       SER   8  -8.778   5.894   7.237
   45   2HB   SER   8          HB1       SER   8  -8.971   6.650   8.817
   46    HG   SER   8           HG       SER   8  -6.707   5.820   9.138
   47    HA   PRO   9           HA       PRO   9 -12.577   3.458  10.022
   48   1HB   PRO   9          HB2       PRO   9 -13.073   4.653  12.447
   49   2HB   PRO   9          HB1       PRO   9 -12.258   3.088  12.276
   50   1HG   PRO   9          HG2       PRO   9 -11.093   5.744  12.965
   51   2HG   PRO   9          HG1       PRO   9 -10.505   4.122  13.366
   52   1HD   PRO   9          HD2       PRO   9  -9.496   5.800  11.314
   53   2HD   PRO   9          HD1       PRO   9  -9.135   4.075  11.532
   54    H    GLU  10           H        GLU  10 -11.581   6.778  10.934
   55    HA   GLU  10           HA       GLU  10 -14.102   8.024  10.506
   56   1HB   GLU  10          HB2       GLU  10 -12.158   9.131  11.613
   57   2HB   GLU  10          HB1       GLU  10 -11.357   9.232  10.044
   58   1HG   GLU  10          HG2       GLU  10 -12.785  10.863   9.260
   59   2HG   GLU  10          HG1       GLU  10 -14.139  10.293  10.237
   60    H    ASN  11           H        ASN  11 -11.627   6.958   8.280
   61    HA   ASN  11           HA       ASN  11 -12.282   8.462   5.990
   62   1HB   ASN  11          HB2       ASN  11 -10.378   6.854   6.167
   63   2HB   ASN  11          HB1       ASN  11 -11.535   5.525   6.070
   64   1HD2  ASN  11          1HD2      ASN  11 -10.849   4.739   3.990
   65   2HD2  ASN  11          2HD2      ASN  11 -11.039   5.642   2.565
   66    HA   PRO  12           HA       PRO  12 -16.464   6.960   5.495
   67   1HB   PRO  12          HB2       PRO  12 -17.075   8.630   3.400
   68   2HB   PRO  12          HB1       PRO  12 -17.087   9.139   5.097
   69   1HG   PRO  12          HG2       PRO  12 -15.089   9.747   2.969
   70   2HG   PRO  12          HG1       PRO  12 -15.501  10.676   4.419
   71   1HD   PRO  12          HD2       PRO  12 -13.229   9.019   4.102
   72   2HD   PRO  12          HD1       PRO  12 -13.829   9.688   5.634
   73    H    CYS  13           H        CYS  13 -13.962   7.039   3.038
   74    HA   CYS  13           HA       CYS  13 -15.344   5.814   0.891
   75   1HB   CYS  13          HB2       CYS  13 -12.888   6.744   1.058
   76   2HB   CYS  13          HB1       CYS  13 -12.492   5.082   1.494
   77    H    CYS  14           H        CYS  14 -14.482   4.538   3.966
   78    HA   CYS  14           HA       CYS  14 -15.295   1.840   2.993
   79   1HB   CYS  14          HB2       CYS  14 -13.614   0.771   4.366
   80   2HB   CYS  14          HB1       CYS  14 -12.811   1.959   3.341
   81    H    ASP  15           H        ASP  15 -17.080   1.219   4.038
   82    HA   ASP  15           HA       ASP  15 -18.303   2.573   6.175
   83   1HB   ASP  15          HB2       ASP  15 -19.104   0.569   4.607
   84   2HB   ASP  15          HB1       ASP  15 -18.627  -0.394   6.005
   85    H    ALA  16           H        ALA  16 -17.767   2.732   8.297
   86    HA   ALA  16           HA       ALA  16 -15.494   1.299   9.373
   87   1HB   ALA  16          HB1       ALA  16 -16.245   2.390  11.546
   88   2HB   ALA  16          HB2       ALA  16 -17.579   3.096  10.634
   89   3HB   ALA  16          HB3       ALA  16 -15.914   3.505  10.221
   90    H    ALA  17           H        ALA  17 -19.012   0.951   9.647
   91    HA   ALA  17           HA       ALA  17 -19.193  -0.850  11.786
   92   1HB   ALA  17          HB1       ALA  17 -20.763  -1.376   9.277
   93   2HB   ALA  17          HB2       ALA  17 -21.040   0.115  10.177
   94   3HB   ALA  17          HB3       ALA  17 -21.295  -1.446  10.957
   95    H    THR  18           H        THR  18 -18.439  -1.550   8.375
   96    HA   THR  18           HA       THR  18 -17.565  -4.275   9.235
   97    HB   THR  18           HB       THR  18 -19.081  -4.736   7.548
   98    HG1  THR  18           HG1      THR  18 -17.864  -5.423   5.944
   99   1HG2  THR  18          1HG2      THR  18 -19.620  -2.335   7.166
  100   2HG2  THR  18          2HG2      THR  18 -19.551  -3.255   5.664
  101   3HG2  THR  18          3HG2      THR  18 -18.207  -2.210   6.119
  102    H    CYS  19           H        CYS  19 -16.347  -1.278   8.636
  103    HA   CYS  19           HA       CYS  19 -14.213  -0.485   8.078
  104   1HB   CYS  19          HB2       CYS  19 -13.805  -2.479   9.775
  105   2HB   CYS  19          HB1       CYS  19 -13.130  -3.266   8.350
  106    H    LYS  20           H        LYS  20 -15.998  -2.034   6.037
  107    HA   LYS  20           HA       LYS  20 -13.826  -2.622   4.068
  108   1HB   LYS  20          HB2       LYS  20 -16.699  -3.554   4.237
  109   2HB   LYS  20          HB1       LYS  20 -15.697  -3.794   2.804
  110   1HG   LYS  20          HG2       LYS  20 -13.987  -4.744   4.626
  111   2HG   LYS  20          HG1       LYS  20 -15.488  -5.061   5.497
  112   1HD   LYS  20          HD2       LYS  20 -16.176  -6.654   4.009
  113   2HD   LYS  20          HD1       LYS  20 -15.480  -5.810   2.626
  114   1HE   LYS  20          HE2       LYS  20 -13.190  -6.469   3.587
  115   2HE   LYS  20          HE1       LYS  20 -14.076  -7.584   4.627
  116   1HZ   LYS  20          HZ1       LYS  20 -15.164  -8.110   2.248
  117   2HZ   LYS  20          HZ2       LYS  20 -13.844  -8.962   2.892
  118   3HZ   LYS  20          HZ3       LYS  20 -13.585  -7.708   1.775
  119    H    LEU  21           H        LEU  21 -14.440  -2.043   1.758
  120    HA   LEU  21           HA       LEU  21 -14.996   0.749   1.565
  121   1HB   LEU  21          HB2       LEU  21 -14.855  -1.482  -0.452
  122   2HB   LEU  21          HB1       LEU  21 -15.287   0.161  -0.934
  123    HG   LEU  21           HG       LEU  21 -13.075   0.500   0.731
  124   1HD1  LEU  21          1HD1      LEU  21 -12.963  -2.122   0.189
  125   2HD1  LEU  21          2HD1      LEU  21 -11.511  -1.128   0.304
  126   3HD1  LEU  21          3HD1      LEU  21 -12.191  -1.515  -1.276
  127   1HD2  LEU  21          1HD2      LEU  21 -12.284   0.361  -2.034
  128   2HD2  LEU  21          2HD2      LEU  21 -12.570   1.791  -1.043
  129   3HD2  LEU  21          3HD2      LEU  21 -13.903   1.048  -1.925
  130    H    ARG  22           H        ARG  22 -16.920   1.783   1.565
  131    HA   ARG  22           HA       ARG  22 -19.396   0.229   1.642
  132   1HB   ARG  22          HB2       ARG  22 -18.605   2.675   2.684
  133   2HB   ARG  22          HB1       ARG  22 -19.714   3.124   1.385
  134   1HG   ARG  22          HG2       ARG  22 -20.628   0.849   3.020
  135   2HG   ARG  22          HG1       ARG  22 -20.506   2.372   3.901
  136   1HD   ARG  22          HD2       ARG  22 -22.132   3.402   2.625
  137   2HD   ARG  22          HD1       ARG  22 -21.780   2.427   1.199
  138    HE   ARG  22           HE       ARG  22 -23.364   1.470   3.547
  139   1HH1  ARG  22          1HH1      ARG  22 -21.774   0.379   0.802
  140   2HH1  ARG  22          2HH1      ARG  22 -23.139  -0.438   0.119
  141   1HH2  ARG  22          1HH2      ARG  22 -25.386   0.809   2.447
  142   2HH2  ARG  22          2HH2      ARG  22 -25.184  -0.196   1.051
  143    HA   PRO  23           HA       PRO  23 -20.169   2.532  -2.462
  144   1HB   PRO  23          HB2       PRO  23 -18.110   4.035  -3.491
  145   2HB   PRO  23          HB1       PRO  23 -19.334   4.681  -2.384
  146   1HG   PRO  23          HG2       PRO  23 -16.485   4.004  -1.840
  147   2HG   PRO  23          HG1       PRO  23 -17.542   5.154  -1.008
  148   1HD   PRO  23          HD2       PRO  23 -16.847   2.556  -0.103
  149   2HD   PRO  23          HD1       PRO  23 -18.111   3.602   0.579
  150    H    GLY  24           H        GLY  24 -18.684   2.695  -4.811
  151   1HA   GLY  24          HA2       GLY  24 -17.775  -0.100  -5.097
  152   2HA   GLY  24          HA1       GLY  24 -18.069   1.031  -6.418
  153    H    ALA  25           H        ALA  25 -16.201   2.126  -3.711
  154    HA   ALA  25           HA       ALA  25 -13.933   2.763  -5.356
  155   1HB   ALA  25          HB1       ALA  25 -12.840   3.063  -3.001
  156   2HB   ALA  25          HB2       ALA  25 -14.464   2.753  -2.388
  157   3HB   ALA  25          HB3       ALA  25 -14.171   4.127  -3.452
  158    H    GLN  26           H        GLN  26 -11.935   1.682  -5.552
  159    HA   GLN  26           HA       GLN  26 -12.004  -1.193  -4.927
  160   1HB   GLN  26          HB2       GLN  26 -10.640   0.520  -6.814
  161   2HB   GLN  26          HB1       GLN  26  -9.467  -0.474  -5.950
  162   1HG   GLN  26          HG2       GLN  26 -10.062  -1.938  -7.644
  163   2HG   GLN  26          HG1       GLN  26 -11.248  -2.384  -6.415
  164   1HE2  GLN  26          1HE2      GLN  26 -10.899  -1.246  -9.637
  165   2HE2  GLN  26          2HE2      GLN  26 -12.521  -0.833  -9.910
  166    H    CYS  27           H        CYS  27 -10.933   1.652  -3.430
  167    HA   CYS  27           HA       CYS  27  -9.699   0.162  -1.255
  168   1HB   CYS  27          HB2       CYS  27  -7.504   1.430  -1.462
  169   2HB   CYS  27          HB1       CYS  27  -7.759   0.175  -2.675
  170    H    GLY  28           H        GLY  28 -10.386   1.258   0.516
  171   1HA   GLY  28          HA2       GLY  28 -11.473   3.921   0.305
  172   2HA   GLY  28          HA1       GLY  28 -11.239   3.034   1.811
  173    H    GLU  29           H        GLU  29  -8.396   2.584   1.395
  174    HA   GLU  29           HA       GLU  29  -7.083   5.143   1.013
  175   1HB   GLU  29          HB2       GLU  29  -8.301   5.226   3.325
  176   2HB   GLU  29          HB1       GLU  29  -7.010   4.148   3.852
  177   1HG   GLU  29          HG2       GLU  29  -5.577   5.874   3.998
  178   2HG   GLU  29          HG1       GLU  29  -5.882   6.303   2.315
  179    H    GLY  30           H        GLY  30  -4.714   4.937   1.456
  180   1HA   GLY  30          HA2       GLY  30  -3.292   2.770   2.376
  181   2HA   GLY  30          HA1       GLY  30  -3.787   2.252   0.765
  182    H    LEU  31           H        LEU  31  -1.120   2.467   1.130
  183    HA   LEU  31           HA       LEU  31  -0.048   5.097   0.594
  184   1HB   LEU  31          HB2       LEU  31   1.005   2.300   0.605
  185   2HB   LEU  31          HB1       LEU  31   1.934   3.523  -0.260
  186    HG   LEU  31           HG       LEU  31   2.711   3.398   2.053
  187   1HD1  LEU  31          1HD1      LEU  31   1.735   5.727   0.759
  188   2HD1  LEU  31          2HD1      LEU  31   2.997   5.630   1.987
  189   3HD1  LEU  31          3HD1      LEU  31   1.318   5.884   2.465
  190   1HD2  LEU  31          1HD2      LEU  31  -0.124   4.145   2.832
  191   2HD2  LEU  31          2HD2      LEU  31   1.221   3.807   3.923
  192   3HD2  LEU  31          3HD2      LEU  31   0.530   2.511   2.948
  193    H    CYS  32           H        CYS  32  -1.555   2.702  -1.385
  194    HA   CYS  32           HA       CYS  32  -0.741   4.276  -3.791
  195   1HB   CYS  32          HB2       CYS  32  -1.195   1.287  -3.809
  196   2HB   CYS  32          HB1       CYS  32  -0.490   2.283  -5.083
  197    H    CYS  33           H        CYS  33  -3.067   4.914  -2.490
  198    HA   CYS  33           HA       CYS  33  -5.127   3.757  -4.321
  199   1HB   CYS  33          HB2       CYS  33  -5.507   2.879  -2.059
  200   2HB   CYS  33          HB1       CYS  33  -5.498   4.514  -1.404
  201    H    GLU  34           H        GLU  34  -5.546   5.397  -5.723
  202    HA   GLU  34           HA       GLU  34  -5.785   8.159  -4.606
  203   1HB   GLU  34          HB2       GLU  34  -5.064   7.199  -7.390
  204   2HB   GLU  34          HB1       GLU  34  -5.391   8.886  -6.993
  205   1HG   GLU  34          HG2       GLU  34  -3.600   8.327  -5.056
  206   2HG   GLU  34          HG1       GLU  34  -3.045   7.196  -6.291
  207    H    GLN  35           H        GLN  35  -7.739   9.196  -4.869
  208    HA   GLN  35           HA       GLN  35 -10.003   9.468  -5.406
  209   1HB   GLN  35          HB2       GLN  35  -8.761   8.291  -7.814
  210   2HB   GLN  35          HB1       GLN  35 -10.507   8.066  -7.699
  211   1HG   GLN  35          HG2       GLN  35  -9.203  10.756  -7.250
  212   2HG   GLN  35          HG1       GLN  35  -9.713  10.216  -8.850
  213   1HE2  GLN  35          1HE2      GLN  35 -12.063   9.788  -9.162
  214   2HE2  GLN  35          2HE2      GLN  35 -13.201  10.514  -8.133
  215    H    CYS  36           H        CYS  36  -8.990   7.096  -3.859
  216    HA   CYS  36           HA       CYS  36  -9.937   5.199  -2.860
  217   1HB   CYS  36          HB2       CYS  36 -12.287   6.611  -4.062
  218   2HB   CYS  36          HB1       CYS  36 -12.512   4.967  -3.471
  219    H    LYS  37           H        LYS  37  -8.589   4.898  -5.359
  220    HA   LYS  37           HA       LYS  37  -9.947   2.437  -6.326
  221   1HB   LYS  37          HB2       LYS  37 -10.275   4.651  -7.798
  222   2HB   LYS  37          HB1       LYS  37  -8.680   4.186  -8.390
  223   1HG   LYS  37          HG2       LYS  37  -9.467   2.046  -9.112
  224   2HG   LYS  37          HG1       LYS  37 -10.997   2.246  -8.256
  225   1HD   LYS  37          HD2       LYS  37 -11.180   4.406  -9.793
  226   2HD   LYS  37          HD1       LYS  37 -10.086   3.483 -10.824
  227   1HE   LYS  37          HE2       LYS  37 -11.636   1.742 -11.123
  228   2HE   LYS  37          HE1       LYS  37 -12.571   2.204  -9.701
  229   1HZ   LYS  37          HZ1       LYS  37 -12.606   3.321 -12.395
  230   2HZ   LYS  37          HZ2       LYS  37 -12.810   4.412 -11.110
  231   3HZ   LYS  37          HZ3       LYS  37 -13.878   3.104 -11.295
  232    H    PHE  38           H        PHE  38  -8.438   0.894  -7.218
  233    HA   PHE  38           HA       PHE  38  -5.812   0.994  -6.037
  234   1HB   PHE  38          HB2       PHE  38  -7.060  -0.812  -8.120
  235   2HB   PHE  38          HB1       PHE  38  -5.401  -1.021  -7.563
  236    HD1  PHE  38           HD2      PHE  38  -5.698  -0.275  -4.684
  237    HD2  PHE  38           HD1      PHE  38  -8.175  -2.696  -7.225
  238    HE1  PHE  38           HE2      PHE  38  -6.517  -1.519  -2.702
  239    HE2  PHE  38           HE1      PHE  38  -8.992  -3.941  -5.243
  240    HZ   PHE  38           HZ       PHE  38  -8.163  -3.351  -2.980
  241    H    SER  39           H        SER  39  -4.250   2.363  -6.774
  242    HA   SER  39           HA       SER  39  -4.240   3.661  -9.292
  243   1HB   SER  39          HB2       SER  39  -1.539   3.199  -8.381
  244   2HB   SER  39          HB1       SER  39  -2.462   4.698  -8.377
  245    HG   SER  39           HG       SER  39  -1.970   2.905  -6.357
  246    H    ARG  40           H        ARG  40  -1.737   3.138 -10.464
  247    HA   ARG  40           HA       ARG  40  -2.194   0.366 -11.491
  248   1HB   ARG  40          HB2       ARG  40  -1.123   2.867 -12.808
  249   2HB   ARG  40          HB1       ARG  40  -0.852   1.267 -13.501
  250   1HG   ARG  40          HG2       ARG  40  -2.861   1.550 -14.509
  251   2HG   ARG  40          HG1       ARG  40  -3.552   1.218 -12.920
  252   1HD   ARG  40          HD2       ARG  40  -2.871   3.895 -12.746
  253   2HD   ARG  40          HD1       ARG  40  -3.435   3.741 -14.409
  254    HE   ARG  40           HE       ARG  40  -5.280   2.415 -12.667
  255   1HH1  ARG  40          1HH2      ARG  40  -5.556   4.658 -14.865
  256   2HH1  ARG  40          2HH2      ARG  40  -6.396   5.857 -13.938
  257   1HH2  ARG  40          1HH1      ARG  40  -5.749   4.335 -10.890
  258   2HH2  ARG  40          2HH1      ARG  40  -6.508   5.672 -11.687
  259    H    ALA  41           H        ALA  41  -0.300  -0.949 -11.875
  260    HA   ALA  41           HA       ALA  41   1.663  -0.940  -9.884
  261   1HB   ALA  41          HB1       ALA  41   2.212  -2.848 -10.941
  262   2HB   ALA  41          HB2       ALA  41   2.874  -1.920 -12.287
  263   3HB   ALA  41          HB3       ALA  41   1.174  -2.390 -12.292
  264    H    GLY  42           H        GLY  42   4.153  -0.687 -10.496
  265   1HA   GLY  42          HA2       GLY  42   5.885   0.792 -11.115
  266   2HA   GLY  42          HA1       GLY  42   4.800   1.448 -12.337
  267    H    LYS  43           H        LYS  43   3.757   1.275  -9.006
  268    HA   LYS  43           HA       LYS  43   3.877   4.266  -8.939
  269   1HB   LYS  43          HB2       LYS  43   1.619   3.290  -8.765
  270   2HB   LYS  43          HB1       LYS  43   2.132   2.358  -7.362
  271   1HG   LYS  43          HG2       LYS  43   1.037   4.287  -6.486
  272   2HG   LYS  43          HG1       LYS  43   2.763   4.577  -6.278
  273   1HD   LYS  43          HD2       LYS  43   2.813   6.239  -7.862
  274   2HD   LYS  43          HD1       LYS  43   1.562   5.480  -8.847
  275   1HE   LYS  43          HE2       LYS  43  -0.056   6.711  -7.874
  276   2HE   LYS  43          HE1       LYS  43   0.508   6.274  -6.261
  277   1HZ   LYS  43          HZ1       LYS  43   2.075   8.205  -7.807
  278   2HZ   LYS  43          HZ2       LYS  43   1.848   8.091  -6.127
  279   3HZ   LYS  43          HZ3       LYS  43   0.621   8.732  -7.112
  280    H    ILE  44           H        ILE  44   5.487   5.063  -7.698
  281    HA   ILE  44           HA       ILE  44   7.016   3.480  -5.863
  282    HB   ILE  44           HB       ILE  44   8.011   5.441  -6.878
  283   1HG1  ILE  44          2HG1      ILE  44   8.519   6.800  -4.696
  284   2HG1  ILE  44          1HG1      ILE  44   7.578   5.542  -3.897
  285   1HG2  ILE  44          1HG2      ILE  44   5.460   6.596  -6.204
  286   2HG2  ILE  44          2HG2      ILE  44   6.717   7.239  -7.260
  287   3HG2  ILE  44          3HG2      ILE  44   6.750   7.593  -5.534
  288   1HD1  ILE  44          1HD1      ILE  44   9.132   3.897  -4.348
  289   2HD1  ILE  44          2HD1      ILE  44  10.210   5.290  -4.261
  290   3HD1  ILE  44          3HD1      ILE  44   9.684   4.678  -5.829
  291    H    CYS  45           H        CYS  45   6.453   2.867  -3.825
  292    HA   CYS  45           HA       CYS  45   4.320   4.457  -2.455
  293   1HB   CYS  45          HB2       CYS  45   4.091   2.292  -1.062
  294   2HB   CYS  45          HB1       CYS  45   3.476   2.268  -2.714
  295    H    ARG  46           H        ARG  46   7.606   3.448  -2.312
  296    HA   ARG  46           HA       ARG  46   7.922   4.922   0.225
  297   1HB   ARG  46          HB2       ARG  46   8.290   1.974  -0.067
  298   2HB   ARG  46          HB1       ARG  46   9.490   2.847   0.887
  299   1HG   ARG  46          HG2       ARG  46   7.489   3.930   2.094
  300   2HG   ARG  46          HG1       ARG  46   6.512   2.664   1.351
  301   1HD   ARG  46          HD2       ARG  46   7.699   0.938   2.469
  302   2HD   ARG  46          HD1       ARG  46   9.014   2.024   2.917
  303    HE   ARG  46           HE       ARG  46   6.588   2.986   4.081
  304   1HH1  ARG  46          1HH2      ARG  46   7.501  -0.192   4.191
  305   2HH1  ARG  46          2HH2      ARG  46   7.829  -0.248   5.890
  306   1HH2  ARG  46          1HH1      ARG  46   7.592   3.184   6.319
  307   2HH2  ARG  46          2HH1      ARG  46   7.876   1.661   7.095
  308    H    ILE  47           H        ILE  47  10.138   5.596   0.556
  309    HA   ILE  47           HA       ILE  47  11.891   5.144  -1.819
  310    HB   ILE  47           HB       ILE  47  10.729   7.442  -1.649
  311   1HG1  ILE  47          2HG1      ILE  47  13.746   7.579  -1.660
  312   2HG1  ILE  47          1HG1      ILE  47  12.854   6.789  -2.962
  313   1HG2  ILE  47          1HG2      ILE  47  11.368   7.489   0.896
  314   2HG2  ILE  47          2HG2      ILE  47  11.450   8.979  -0.042
  315   3HG2  ILE  47          3HG2      ILE  47  12.923   8.074   0.306
  316   1HD1  ILE  47          1HD1      ILE  47  12.471   9.656  -2.050
  317   2HD1  ILE  47          2HD1      ILE  47  11.569   8.864  -3.341
  318   3HD1  ILE  47          3HD1      ILE  47  13.301   9.149  -3.520
  319    HA   PRO  48           HA       PRO  48  14.605   3.949   1.525
  320   1HB   PRO  48          HB2       PRO  48  16.612   3.023  -0.111
  321   2HB   PRO  48          HB1       PRO  48  15.155   2.092   0.276
  322   1HG   PRO  48          HG2       PRO  48  15.865   3.504  -2.254
  323   2HG   PRO  48          HG1       PRO  48  14.808   2.103  -2.009
  324   1HD   PRO  48          HD2       PRO  48  13.954   4.771  -2.420
  325   2HD   PRO  48          HD1       PRO  48  12.942   3.426  -1.850
  326    H    ARG  49           H        ARG  49  16.491   4.883   2.451
  327    HA   ARG  49           HA       ARG  49  17.189   7.532   1.537
  328   1HB   ARG  49          HB2       ARG  49  17.679   5.879   3.854
  329   2HB   ARG  49          HB1       ARG  49  19.188   6.621   3.319
  330   1HG   ARG  49          HG2       ARG  49  18.038   8.109   4.893
  331   2HG   ARG  49          HG1       ARG  49  18.060   8.836   3.286
  332   1HD   ARG  49          HD2       ARG  49  15.819   9.005   3.396
  333   2HD   ARG  49          HD1       ARG  49  15.733   7.244   3.373
  334    HE   ARG  49           HE       ARG  49  16.087   8.676   5.966
  335   1HH1  ARG  49          1HH1      ARG  49  15.769   5.722   5.940
  336   2HH1  ARG  49          2HH1      ARG  49  14.071   5.522   6.222
  337   1HH2  ARG  49          1HH2      ARG  49  13.285   8.807   5.427
  338   2HH2  ARG  49          2HH2      ARG  49  12.665   7.271   5.936
  339    H    GLY  50           H        GLY  50  18.226   4.441   0.586
  340   1HA   GLY  50          HA2       GLY  50  19.712   4.720  -1.520
  341   2HA   GLY  50          HA1       GLY  50  20.822   5.528  -0.414
  342    H    GLU  51           H        GLU  51  19.526   2.455  -1.430
  343    HA   GLU  51           HA       GLU  51  21.735   0.901  -0.793
  344   1HB   GLU  51          HB2       GLU  51  21.567   1.396   1.544
  345   2HB   GLU  51          HB1       GLU  51  19.824   1.136   1.541
  346   1HG   GLU  51          HG2       GLU  51  20.194  -1.256   1.007
  347   2HG   GLU  51          HG1       GLU  51  21.937  -0.986   1.053
  348    H    MET  52           H        MET  52  18.275   1.151  -0.966
  349    HA   MET  52           HA       MET  52  18.201  -1.569  -2.196
  350   1HB   MET  52          HB2       MET  52  16.348  -2.199  -0.949
  351   2HB   MET  52          HB1       MET  52  17.139  -1.148   0.218
  352   1HG   MET  52          HG2       MET  52  15.720   0.747  -0.895
  353   2HG   MET  52          HG1       MET  52  14.729  -0.584  -1.492
  354   1HE   MET  52          HE1       MET  52  12.266  -0.841   1.099
  355   2HE   MET  52          HE2       MET  52  12.882  -1.329  -0.479
  356   3HE   MET  52          HE3       MET  52  12.595   0.376  -0.140
  357    HA   PRO  53           HA       PRO  53  16.073   0.363  -5.509
  358   1HB   PRO  53          HB2       PRO  53  14.236  -1.561  -6.217
  359   2HB   PRO  53          HB1       PRO  53  15.970  -1.680  -6.561
  360   1HG   PRO  53          HG2       PRO  53  14.362  -3.129  -4.517
  361   2HG   PRO  53          HG1       PRO  53  15.882  -3.603  -5.291
  362   1HD   PRO  53          HD2       PRO  53  15.596  -2.531  -2.683
  363   2HD   PRO  53          HD1       PRO  53  17.122  -2.738  -3.568
  364    H    ASP  54           H        ASP  54  14.274   1.672  -5.937
  365    HA   ASP  54           HA       ASP  54  12.608   2.509  -3.832
  366   1HB   ASP  54          HB2       ASP  54  12.128   2.654  -6.821
  367   2HB   ASP  54          HB1       ASP  54  11.212   3.562  -5.618
  368    H    ASP  55           H        ASP  55  10.439   2.062  -3.282
  369    HA   ASP  55           HA       ASP  55   9.545  -0.662  -3.887
  370   1HB   ASP  55          HB2       ASP  55   8.154   1.541  -2.326
  371   2HB   ASP  55          HB1       ASP  55   7.710  -0.167  -2.335
  372    H    ARG  56           H        ARG  56   7.515  -1.135  -4.974
  373    HA   ARG  56           HA       ARG  56   6.328   1.126  -6.513
  374   1HB   ARG  56          HB2       ARG  56   8.199  -0.294  -7.728
  375   2HB   ARG  56          HB1       ARG  56   6.886  -1.458  -7.920
  376   1HG   ARG  56          HG2       ARG  56   6.117  -0.257  -9.646
  377   2HG   ARG  56          HG1       ARG  56   5.811   1.087  -8.545
  378   1HD   ARG  56          HD2       ARG  56   7.262   1.964 -10.222
  379   2HD   ARG  56          HD1       ARG  56   8.286   1.680  -8.815
  380    HE   ARG  56           HE       ARG  56   8.586  -0.661 -10.164
  381   1HH1  ARG  56          1HH2      ARG  56   9.648   2.501 -10.483
  382   2HH1  ARG  56          2HH2      ARG  56  10.301   2.311 -12.076
  383   1HH2  ARG  56          1HH1      ARG  56   8.982  -0.864 -12.526
  384   2HH2  ARG  56          2HH1      ARG  56   9.921   0.406 -13.233
  385    H    CYS  57           H        CYS  57   4.155   1.027  -6.334
  386    HA   CYS  57           HA       CYS  57   2.815  -1.214  -5.113
  387   1HB   CYS  57          HB2       CYS  57   1.386   0.792  -6.845
  388   2HB   CYS  57          HB1       CYS  57   0.831   0.017  -5.367
  389    H    THR  58           H        THR  58   1.436  -2.753  -6.143
  390    HA   THR  58           HA       THR  58   2.339  -3.515  -8.820
  391    HB   THR  58           HB       THR  58   0.785  -5.462  -8.455
  392    HG1  THR  58           HG1      THR  58   0.301  -5.357  -5.962
  393   1HG2  THR  58          1HG2      THR  58   2.084  -6.182  -6.267
  394   2HG2  THR  58          2HG2      THR  58   2.986  -4.699  -6.573
  395   3HG2  THR  58          3HG2      THR  58   2.948  -5.975  -7.790
  396    H    GLY  59           H        GLY  59   0.072  -1.350  -7.771
  397   1HA   GLY  59          HA2       GLY  59  -1.468  -0.173  -9.170
  398   2HA   GLY  59          HA1       GLY  59  -1.318  -1.459 -10.368
  399    H    GLN  60           H        GLN  60  -1.720  -3.309  -7.854
  400    HA   GLN  60           HA       GLN  60  -4.704  -3.083  -7.862
  401   1HB   GLN  60          HB2       GLN  60  -2.887  -5.495  -7.928
  402   2HB   GLN  60          HB1       GLN  60  -4.558  -5.620  -7.376
  403   1HG   GLN  60          HG2       GLN  60  -5.431  -5.176  -9.469
  404   2HG   GLN  60          HG1       GLN  60  -4.042  -4.203  -9.956
  405   1HE2  GLN  60          1HE2      GLN  60  -5.226  -7.535  -9.634
  406   2HE2  GLN  60          2HE2      GLN  60  -3.989  -8.246 -10.554
  407    H    SER  61           H        SER  61  -1.857  -3.049  -5.999
  408    HA   SER  61           HA       SER  61  -3.324  -3.775  -3.509
  409   1HB   SER  61          HB2       SER  61  -1.183  -4.866  -3.700
  410   2HB   SER  61          HB1       SER  61  -0.384  -3.351  -4.104
  411    HG   SER  61           HG       SER  61  -0.255  -4.120  -1.842
  412    H    ALA  62           H        ALA  62  -4.369  -2.048  -2.620
  413    HA   ALA  62           HA       ALA  62  -3.705   0.689  -3.144
  414   1HB   ALA  62          HB1       ALA  62  -5.357  -0.662  -1.003
  415   2HB   ALA  62          HB2       ALA  62  -5.921   0.271  -2.389
  416   3HB   ALA  62          HB3       ALA  62  -5.136   1.087  -1.037
  417    H    ASP  63           H        ASP  63  -2.534  -1.640  -0.834
  418    HA   ASP  63           HA       ASP  63  -1.039   0.499   0.607
  419   1HB   ASP  63          HB2       ASP  63  -1.438  -2.428   1.308
  420   2HB   ASP  63          HB1       ASP  63  -0.596  -1.240   2.304
  421    H    CYS  64           H        CYS  64   1.276  -0.276   1.249
  422    HA   CYS  64           HA       CYS  64   2.500  -1.606  -1.134
  423   1HB   CYS  64          HB2       CYS  64   3.039   0.794  -1.000
  424   2HB   CYS  64          HB1       CYS  64   3.684   0.562   0.623
  425    HA   PRO  65           HA       PRO  65   3.771  -4.477   1.977
  426   1HB   PRO  65          HB2       PRO  65   4.713  -6.286   0.150
  427   2HB   PRO  65          HB1       PRO  65   3.006  -6.134   0.571
  428   1HG   PRO  65          HG2       PRO  65   4.426  -5.317  -1.904
  429   2HG   PRO  65          HG1       PRO  65   2.705  -5.665  -1.662
  430   1HD   PRO  65          HD2       PRO  65   3.907  -3.093  -1.842
  431   2HD   PRO  65          HD1       PRO  65   2.231  -3.449  -1.380
  432    H    ARG  66           H        ARG  66   5.880  -5.469   2.588
  433    HA   ARG  66           HA       ARG  66   8.132  -3.712   1.834
  434   1HB   ARG  66          HB2       ARG  66   7.499  -5.559   4.070
  435   2HB   ARG  66          HB1       ARG  66   9.199  -5.473   3.607
  436   1HG   ARG  66          HG2       ARG  66   8.973  -2.939   3.708
  437   2HG   ARG  66          HG1       ARG  66   7.404  -3.195   4.471
  438   1HD   ARG  66          HD2       ARG  66   9.029  -2.924   6.236
  439   2HD   ARG  66          HD1       ARG  66   8.567  -4.625   6.195
  440    HE   ARG  66           HE       ARG  66  10.844  -4.288   4.521
  441   1HH1  ARG  66          1HH2      ARG  66  11.027  -2.644   7.269
  442   2HH1  ARG  66          2HH2      ARG  66  12.073  -3.721   8.135
  443   1HH2  ARG  66          1HH1      ARG  66  11.707  -6.324   5.875
  444   2HH2  ARG  66          2HH1      ARG  66  12.456  -5.804   7.348
  445    H    TYR  67           H        TYR  67   9.101  -4.327  -0.063
  446    HA   TYR  67           HA       TYR  67   9.166  -7.066  -0.987
  447   1HB   TYR  67          HB2       TYR  67   9.263  -5.277  -2.613
  448   2HB   TYR  67          HB1       TYR  67  10.701  -4.598  -1.848
  449    HD1  TYR  67           HD2      TYR  67   9.489  -7.843  -3.299
  450    HD2  TYR  67           HD1      TYR  67  12.784  -5.148  -2.731
  451    HE1  TYR  67           HE2      TYR  67  10.924  -9.302  -4.698
  452    HE2  TYR  67           HE1      TYR  67  14.219  -6.606  -4.132
  453    HH   TYR  67           HH       TYR  67  13.059  -8.925  -6.155
  454    H    HIS  68           H        HIS  68  10.093  -8.048   1.003
  455    HA   HIS  68           HA       HIS  68  11.893  -8.954   2.207
  456   1HB   HIS  68          HB2       HIS  68  13.352  -8.176  -0.337
  457   2HB   HIS  68          HB1       HIS  68  14.009  -9.224   0.921
  458    HD1  HIS  68           HD1      HIS  68  13.970 -10.896  -1.326
  459    HD2  HIS  68           HD2      HIS  68  10.339 -10.069   0.546
  460    HE1  HIS  68           HE1      HIS  68  12.353 -12.698  -2.071
  Start of MODEL    8
    1   1H    GLY   1          HT1       GLY   1 -16.509 -12.849  -0.530
    2   2H    GLY   1          HT2       GLY   1 -15.159 -12.403  -1.459
    3   3H    GLY   1          HT3       GLY   1 -16.720 -11.938  -1.944
    4   1HA   GLY   1          HA1       GLY   1 -15.267 -10.188  -0.821
    5   2HA   GLY   1          HA2       GLY   1 -16.933 -10.364  -0.272
    6    H    LYS   2           H        LYS   2 -14.778  -9.342   1.346
    7    HA   LYS   2           HA       LYS   2 -14.416 -11.558   3.319
    8   1HB   LYS   2          HB2       LYS   2 -12.924  -8.944   3.411
    9   2HB   LYS   2          HB1       LYS   2 -12.442 -10.517   4.049
   10   1HG   LYS   2          HG2       LYS   2 -12.700  -9.836   1.104
   11   2HG   LYS   2          HG1       LYS   2 -11.180  -9.937   1.993
   12   1HD   LYS   2          HD2       LYS   2 -13.155 -12.225   1.786
   13   2HD   LYS   2          HD1       LYS   2 -11.766 -12.033   0.715
   14   1HE   LYS   2          HE2       LYS   2 -10.626 -11.728   3.205
   15   2HE   LYS   2          HE1       LYS   2 -11.863 -12.947   3.508
   16   1HZ   LYS   2          HZ1       LYS   2 -10.099 -13.169   1.159
   17   2HZ   LYS   2          HZ2       LYS   2 -10.938 -14.392   1.989
   18   3HZ   LYS   2          HZ3       LYS   2  -9.557 -13.686   2.681
   19    H    GLU   3           H        GLU   3 -13.960 -10.098   5.606
   20    HA   GLU   3           HA       GLU   3 -16.627  -8.841   6.038
   21   1HB   GLU   3          HB2       GLU   3 -14.743 -10.405   7.736
   22   2HB   GLU   3          HB1       GLU   3 -15.667  -9.133   8.536
   23   1HG   GLU   3          HG2       GLU   3 -17.569 -10.364   6.949
   24   2HG   GLU   3          HG1       GLU   3 -16.575 -11.716   7.488
   25    H    CYS   4           H        CYS   4 -13.271  -8.140   5.860
   26    HA   CYS   4           HA       CYS   4 -13.868  -5.356   6.709
   27   1HB   CYS   4          HB2       CYS   4 -11.961  -7.229   7.961
   28   2HB   CYS   4          HB1       CYS   4 -11.285  -5.646   7.574
   29    H    ASP   5           H        ASP   5 -13.649  -4.423   4.692
   30    HA   ASP   5           HA       ASP   5 -11.458  -5.251   2.913
   31   1HB   ASP   5          HB2       ASP   5 -13.964  -4.278   2.424
   32   2HB   ASP   5          HB1       ASP   5 -12.995  -2.815   2.245
   33    H    CYS   6           H        CYS   6 -11.731  -3.193   5.536
   34    HA   CYS   6           HA       CYS   6  -9.251  -1.796   4.724
   35   1HB   CYS   6          HB2       CYS   6 -10.061   0.387   5.166
   36   2HB   CYS   6          HB1       CYS   6 -11.313  -0.362   4.180
   37    H    SER   7           H        SER   7  -8.483  -0.442   6.768
   38    HA   SER   7           HA       SER   7  -9.017  -2.136   9.177
   39   1HB   SER   7          HB2       SER   7  -6.414  -0.786   8.410
   40   2HB   SER   7          HB1       SER   7  -6.682  -1.800   9.826
   41    HG   SER   7           HG       SER   7  -7.197  -3.507   8.375
   42    H    SER   8           H        SER   8  -8.927   1.088   7.905
   43    HA   SER   8           HA       SER   8  -8.948   2.196  10.668
   44   1HB   SER   8          HB2       SER   8  -8.581   3.535   7.980
   45   2HB   SER   8          HB1       SER   8  -8.671   4.402   9.508
   46    HG   SER   8           HG       SER   8  -6.844   2.294   8.993
   47    HA   PRO   9           HA       PRO   9 -13.372   2.516   9.901
   48   1HB   PRO   9          HB2       PRO   9 -14.008   2.949  12.537
   49   2HB   PRO   9          HB1       PRO   9 -13.709   1.340  11.856
   50   1HG   PRO   9          HG2       PRO   9 -11.965   2.978  13.631
   51   2HG   PRO   9          HG1       PRO   9 -12.015   1.221  13.419
   52   1HD   PRO   9          HD2       PRO   9 -10.104   2.993  12.289
   53   2HD   PRO   9          HD1       PRO   9 -10.333   1.282  11.867
   54    H    GLU  10           H        GLU  10 -11.547   4.821   9.524
   55    HA   GLU  10           HA       GLU  10 -13.462   6.957  10.206
   56   1HB   GLU  10          HB2       GLU  10 -11.078   6.534  11.725
   57   2HB   GLU  10          HB1       GLU  10 -10.848   7.992  10.758
   58   1HG   GLU  10          HG2       GLU  10 -12.661   9.091  11.738
   59   2HG   GLU  10          HG1       GLU  10 -13.433   7.584  12.234
   60    H    ASN  11           H        ASN  11 -12.136   5.460   7.875
   61    HA   ASN  11           HA       ASN  11 -10.906   7.773   6.462
   62   1HB   ASN  11          HB2       ASN  11 -10.374   5.935   4.742
   63   2HB   ASN  11          HB1       ASN  11  -9.532   5.837   6.289
   64   1HD2  ASN  11          1HD2      ASN  11  -9.358   3.450   5.765
   65   2HD2  ASN  11          2HD2      ASN  11 -10.674   2.449   6.142
   66    HA   PRO  12           HA       PRO  12 -14.555   8.262   4.052
   67   1HB   PRO  12          HB2       PRO  12 -13.436   9.655   1.965
   68   2HB   PRO  12          HB1       PRO  12 -13.750  10.362   3.560
   69   1HG   PRO  12          HG2       PRO  12 -11.153   9.549   2.350
   70   2HG   PRO  12          HG1       PRO  12 -11.476  10.750   3.611
   71   1HD   PRO  12          HD2       PRO  12 -10.483   8.117   4.011
   72   2HD   PRO  12          HD1       PRO  12 -11.058   9.230   5.271
   73    H    CYS  13           H        CYS  13 -12.596   5.838   3.454
   74    HA   CYS  13           HA       CYS  13 -13.525   5.436   0.639
   75   1HB   CYS  13          HB2       CYS  13 -11.127   4.222   2.042
   76   2HB   CYS  13          HB1       CYS  13 -11.632   3.865   0.391
   77    H    CYS  14           H        CYS  14 -13.305   3.999   3.865
   78    HA   CYS  14           HA       CYS  14 -15.106   1.844   2.854
   79   1HB   CYS  14          HB2       CYS  14 -14.036   0.219   4.182
   80   2HB   CYS  14          HB1       CYS  14 -12.704   1.159   3.517
   81    H    ASP  15           H        ASP  15 -16.729   1.116   4.285
   82    HA   ASP  15           HA       ASP  15 -17.816   3.209   5.985
   83   1HB   ASP  15          HB2       ASP  15 -19.037   1.401   4.525
   84   2HB   ASP  15          HB1       ASP  15 -18.826   0.382   5.944
   85    H    ALA  16           H        ALA  16 -17.743   3.320   8.209
   86    HA   ALA  16           HA       ALA  16 -15.914   1.471   9.592
   87   1HB   ALA  16          HB1       ALA  16 -17.207   4.091  10.209
   88   2HB   ALA  16          HB2       ALA  16 -15.530   3.589  10.425
   89   3HB   ALA  16          HB3       ALA  16 -16.762   3.064  11.572
   90    H    ALA  17           H        ALA  17 -19.289   1.848   9.083
   91    HA   ALA  17           HA       ALA  17 -20.161   0.513  11.519
   92   1HB   ALA  17          HB1       ALA  17 -22.078   1.452  10.791
   93   2HB   ALA  17          HB2       ALA  17 -22.149   0.190   9.560
   94   3HB   ALA  17          HB3       ALA  17 -21.390   1.739   9.193
   95    H    THR  18           H        THR  18 -19.209  -0.478   8.285
   96    HA   THR  18           HA       THR  18 -19.692  -3.312   9.114
   97    HB   THR  18           HB       THR  18 -21.198  -2.654   7.279
   98    HG1  THR  18           HG1      THR  18 -19.127  -4.475   6.913
   99   1HG2  THR  18          1HG2      THR  18 -20.253  -0.933   6.073
  100   2HG2  THR  18          2HG2      THR  18 -19.821  -2.283   5.023
  101   3HG2  THR  18          3HG2      THR  18 -18.634  -1.626   6.150
  102    H    CYS  19           H        CYS  19 -17.325  -1.067   8.635
  103    HA   CYS  19           HA       CYS  19 -15.015  -1.230   8.205
  104   1HB   CYS  19          HB2       CYS  19 -15.187  -2.886  10.033
  105   2HB   CYS  19          HB1       CYS  19 -15.593  -4.140   8.864
  106    H    LYS  20           H        LYS  20 -16.790  -1.428   5.920
  107    HA   LYS  20           HA       LYS  20 -14.975  -2.960   4.131
  108   1HB   LYS  20          HB2       LYS  20 -17.937  -3.366   4.452
  109   2HB   LYS  20          HB1       LYS  20 -17.159  -3.696   2.903
  110   1HG   LYS  20          HG2       LYS  20 -15.638  -4.819   5.112
  111   2HG   LYS  20          HG1       LYS  20 -17.293  -5.426   5.102
  112   1HD   LYS  20          HD2       LYS  20 -15.565  -5.362   2.620
  113   2HD   LYS  20          HD1       LYS  20 -15.633  -6.756   3.700
  114   1HE   LYS  20          HE2       LYS  20 -18.248  -6.450   3.398
  115   2HE   LYS  20          HE1       LYS  20 -17.760  -5.639   1.911
  116   1HZ   LYS  20          HZ1       LYS  20 -16.268  -7.998   2.185
  117   2HZ   LYS  20          HZ2       LYS  20 -17.401  -7.599   0.984
  118   3HZ   LYS  20          HZ3       LYS  20 -17.905  -8.382   2.405
  119    H    LEU  21           H        LEU  21 -14.921  -2.149   1.981
  120    HA   LEU  21           HA       LEU  21 -15.072   0.581   1.579
  121   1HB   LEU  21          HB2       LEU  21 -15.367  -1.712  -0.338
  122   2HB   LEU  21          HB1       LEU  21 -15.466  -0.044  -0.906
  123    HG   LEU  21           HG       LEU  21 -13.216  -0.574   0.925
  124   1HD1  LEU  21          1HD1      LEU  21 -13.486  -2.680  -0.544
  125   2HD1  LEU  21          2HD1      LEU  21 -11.911  -1.887  -0.547
  126   3HD1  LEU  21          3HD1      LEU  21 -13.028  -1.639  -1.890
  127   1HD2  LEU  21          1HD2      LEU  21 -13.973   1.308  -1.022
  128   2HD2  LEU  21          2HD2      LEU  21 -12.599   0.453  -1.720
  129   3HD2  LEU  21          3HD2      LEU  21 -12.440   1.248  -0.153
  130    H    ARG  22           H        ARG  22 -16.673   2.054   1.257
  131    HA   ARG  22           HA       ARG  22 -19.461   1.056   1.314
  132   1HB   ARG  22          HB2       ARG  22 -18.210   3.202   2.560
  133   2HB   ARG  22          HB1       ARG  22 -19.142   3.958   1.267
  134   1HG   ARG  22          HG2       ARG  22 -21.173   2.836   2.014
  135   2HG   ARG  22          HG1       ARG  22 -20.268   1.970   3.256
  136   1HD   ARG  22          HD2       ARG  22 -19.689   4.093   4.344
  137   2HD   ARG  22          HD1       ARG  22 -20.541   4.985   3.084
  138    HE   ARG  22           HE       ARG  22 -21.804   3.402   5.239
  139   1HH1  ARG  22          1HH2      ARG  22 -22.297   6.314   4.216
  140   2HH1  ARG  22          2HH2      ARG  22 -23.876   6.122   3.532
  141   1HH2  ARG  22          1HH1      ARG  22 -23.744   2.657   3.533
  142   2HH2  ARG  22          2HH1      ARG  22 -24.696   4.051   3.146
  143    HA   PRO  23           HA       PRO  23 -19.606   3.703  -2.628
  144   1HB   PRO  23          HB2       PRO  23 -17.314   4.963  -3.463
  145   2HB   PRO  23          HB1       PRO  23 -18.471   5.691  -2.336
  146   1HG   PRO  23          HG2       PRO  23 -15.771   4.574  -1.782
  147   2HG   PRO  23          HG1       PRO  23 -16.696   5.777  -0.868
  148   1HD   PRO  23          HD2       PRO  23 -16.394   3.016  -0.233
  149   2HD   PRO  23          HD1       PRO  23 -17.484   4.173   0.558
  150    H    GLY  24           H        GLY  24 -18.337   3.701  -4.970
  151   1HA   GLY  24          HA2       GLY  24 -17.714   0.892  -5.450
  152   2HA   GLY  24          HA1       GLY  24 -17.739   2.168  -6.669
  153    H    ALA  25           H        ALA  25 -15.848   1.569  -3.685
  154    HA   ALA  25           HA       ALA  25 -13.409   2.368  -5.195
  155   1HB   ALA  25          HB1       ALA  25 -12.601   2.107  -2.600
  156   2HB   ALA  25          HB2       ALA  25 -14.293   2.550  -2.379
  157   3HB   ALA  25          HB3       ALA  25 -13.217   3.606  -3.291
  158    H    GLN  26           H        GLN  26 -11.510   1.029  -5.067
  159    HA   GLN  26           HA       GLN  26 -12.174  -1.841  -4.789
  160   1HB   GLN  26          HB2       GLN  26 -10.520  -0.366  -6.525
  161   2HB   GLN  26          HB1       GLN  26  -9.421  -1.300  -5.509
  162   1HG   GLN  26          HG2       GLN  26  -9.856  -2.954  -7.025
  163   2HG   GLN  26          HG1       GLN  26 -11.298  -3.187  -6.036
  164   1HE2  GLN  26          1HE2      GLN  26 -13.200  -1.602  -6.744
  165   2HE2  GLN  26          2HE2      GLN  26 -13.437  -1.459  -8.419
  166    H    CYS  27           H        CYS  27 -10.665   0.665  -2.987
  167    HA   CYS  27           HA       CYS  27  -9.927  -1.294  -0.932
  168   1HB   CYS  27          HB2       CYS  27  -7.720  -1.348  -1.376
  169   2HB   CYS  27          HB1       CYS  27  -7.970  -0.294  -2.758
  170    H    GLY  28           H        GLY  28  -9.806  -0.379   1.145
  171   1HA   GLY  28          HA2       GLY  28 -11.038   2.298   1.355
  172   2HA   GLY  28          HA1       GLY  28 -10.859   1.141   2.670
  173    H    GLU  29           H        GLU  29  -7.986   0.774   1.607
  174    HA   GLU  29           HA       GLU  29  -6.668   3.304   2.096
  175   1HB   GLU  29          HB2       GLU  29  -5.681   2.730   4.259
  176   2HB   GLU  29          HB1       GLU  29  -7.435   2.733   4.392
  177   1HG   GLU  29          HG2       GLU  29  -7.536   0.496   4.777
  178   2HG   GLU  29          HG1       GLU  29  -6.273   0.140   3.599
  179    H    GLY  30           H        GLY  30  -4.255   2.987   2.077
  180   1HA   GLY  30          HA2       GLY  30  -2.836   0.639   1.828
  181   2HA   GLY  30          HA1       GLY  30  -3.563   0.827   0.236
  182    H    LEU  31           H        LEU  31  -0.752   0.907   0.705
  183    HA   LEU  31           HA       LEU  31   0.188   3.641   0.838
  184   1HB   LEU  31          HB2       LEU  31   1.394   0.985   0.140
  185   2HB   LEU  31          HB1       LEU  31   2.263   2.454  -0.304
  186    HG   LEU  31           HG       LEU  31   2.864   1.518   1.970
  187   1HD1  LEU  31          1HD1      LEU  31   2.337   3.861   3.102
  188   2HD1  LEU  31          2HD1      LEU  31   1.849   4.288   1.463
  189   3HD1  LEU  31          3HD1      LEU  31   3.495   3.739   1.777
  190   1HD2  LEU  31          1HD2      LEU  31   0.693   0.755   2.711
  191   2HD2  LEU  31          2HD2      LEU  31   0.003   2.366   2.511
  192   3HD2  LEU  31          3HD2      LEU  31   1.187   2.065   3.782
  193    H    CYS  32           H        CYS  32  -1.267   1.754  -1.627
  194    HA   CYS  32           HA       CYS  32  -0.577   3.881  -3.596
  195   1HB   CYS  32          HB2       CYS  32  -0.496   0.889  -4.066
  196   2HB   CYS  32          HB1       CYS  32  -0.426   2.094  -5.355
  197    H    CYS  33           H        CYS  33  -2.897   4.004  -2.223
  198    HA   CYS  33           HA       CYS  33  -4.946   2.907  -4.108
  199   1HB   CYS  33          HB2       CYS  33  -4.961   3.410  -1.148
  200   2HB   CYS  33          HB1       CYS  33  -6.477   3.541  -2.034
  201    H    GLU  34           H        GLU  34  -5.519   4.507  -5.518
  202    HA   GLU  34           HA       GLU  34  -5.490   7.322  -4.556
  203   1HB   GLU  34          HB2       GLU  34  -5.755   7.785  -7.077
  204   2HB   GLU  34          HB1       GLU  34  -4.208   7.121  -6.547
  205   1HG   GLU  34          HG2       GLU  34  -4.606   5.062  -7.504
  206   2HG   GLU  34          HG1       GLU  34  -6.352   5.179  -7.284
  207    H    GLN  35           H        GLN  35  -7.404   8.286  -4.134
  208    HA   GLN  35           HA       GLN  35  -9.711   8.672  -4.093
  209   1HB   GLN  35          HB2       GLN  35  -9.114   7.733  -6.827
  210   2HB   GLN  35          HB1       GLN  35 -10.796   7.535  -6.334
  211   1HG   GLN  35          HG2       GLN  35 -10.666   9.973  -5.520
  212   2HG   GLN  35          HG1       GLN  35  -9.176  10.080  -6.459
  213   1HE2  GLN  35          1HE2      GLN  35 -12.589  10.307  -6.673
  214   2HE2  GLN  35          2HE2      GLN  35 -12.716  10.290  -8.365
  215    H    CYS  36           H        CYS  36  -8.683   6.333  -2.781
  216    HA   CYS  36           HA       CYS  36  -9.514   4.398  -1.753
  217   1HB   CYS  36          HB2       CYS  36 -12.165   5.108  -3.028
  218   2HB   CYS  36          HB1       CYS  36 -11.892   4.180  -1.553
  219    H    LYS  37           H        LYS  37  -8.470   4.394  -4.536
  220    HA   LYS  37           HA       LYS  37  -9.710   1.817  -5.399
  221   1HB   LYS  37          HB2       LYS  37  -9.755   4.318  -6.821
  222   2HB   LYS  37          HB1       LYS  37  -8.756   3.169  -7.712
  223   1HG   LYS  37          HG2       LYS  37 -10.544   1.543  -7.754
  224   2HG   LYS  37          HG1       LYS  37 -11.528   2.530  -6.671
  225   1HD   LYS  37          HD2       LYS  37 -11.269   4.367  -8.509
  226   2HD   LYS  37          HD1       LYS  37 -10.836   3.018  -9.560
  227   1HE   LYS  37          HE2       LYS  37 -13.360   3.087  -7.884
  228   2HE   LYS  37          HE1       LYS  37 -13.296   3.600  -9.571
  229   1HZ   LYS  37          HZ1       LYS  37 -12.928   0.909  -8.435
  230   2HZ   LYS  37          HZ2       LYS  37 -12.212   1.303  -9.925
  231   3HZ   LYS  37          HZ3       LYS  37 -13.898   1.399  -9.737
  232    H    PHE  38           H        PHE  38  -8.180   0.615  -6.917
  233    HA   PHE  38           HA       PHE  38  -5.528   0.558  -5.740
  234   1HB   PHE  38          HB2       PHE  38  -6.709  -0.857  -8.147
  235   2HB   PHE  38          HB1       PHE  38  -5.079  -1.148  -7.548
  236    HD1  PHE  38           HD2      PHE  38  -5.684  -0.853  -4.566
  237    HD2  PHE  38           HD1      PHE  38  -7.682  -2.992  -7.711
  238    HE1  PHE  38           HE2      PHE  38  -6.578  -2.462  -2.905
  239    HE2  PHE  38           HE1      PHE  38  -8.574  -4.601  -6.050
  240    HZ   PHE  38           HZ       PHE  38  -8.022  -4.337  -3.647
  241    H    SER  39           H        SER  39  -3.786   1.735  -6.387
  242    HA   SER  39           HA       SER  39  -3.995   3.625  -8.564
  243   1HB   SER  39          HB2       SER  39  -1.654   2.692  -6.883
  244   2HB   SER  39          HB1       SER  39  -1.520   3.957  -8.101
  245    HG   SER  39           HG       SER  39  -2.154   4.359  -5.681
  246    H    ARG  40           H        ARG  40  -1.711   3.509 -10.032
  247    HA   ARG  40           HA       ARG  40  -2.029   0.921 -11.480
  248   1HB   ARG  40          HB2       ARG  40  -0.876   2.176 -13.356
  249   2HB   ARG  40          HB1       ARG  40  -2.452   2.824 -12.897
  250   1HG   ARG  40          HG2       ARG  40  -0.325   3.985 -11.288
  251   2HG   ARG  40          HG1       ARG  40  -0.042   4.245 -13.011
  252   1HD   ARG  40          HD2       ARG  40  -2.757   4.734 -12.745
  253   2HD   ARG  40          HD1       ARG  40  -2.083   5.413 -11.263
  254    HE   ARG  40           HE       ARG  40  -1.644   6.427 -13.972
  255   1HH1  ARG  40          1HH1      ARG  40  -1.939   7.890 -11.252
  256   2HH1  ARG  40          2HH1      ARG  40  -0.358   8.580 -11.103
  257   1HH2  ARG  40          1HH2      ARG  40   1.035   6.580 -13.572
  258   2HH2  ARG  40          2HH2      ARG  40   1.328   7.836 -12.415
  259    H    ALA  41           H        ALA  41  -0.159  -0.287 -12.068
  260    HA   ALA  41           HA       ALA  41   1.901  -0.563 -10.226
  261   1HB   ALA  41          HB1       ALA  41   3.016  -1.013 -12.836
  262   2HB   ALA  41          HB2       ALA  41   1.340  -1.562 -12.831
  263   3HB   ALA  41          HB3       ALA  41   2.484  -2.207 -11.653
  264    H    GLY  42           H        GLY  42   4.307  -0.031 -10.637
  265   1HA   GLY  42          HA2       GLY  42   5.979   1.596 -10.992
  266   2HA   GLY  42          HA1       GLY  42   4.920   2.327 -12.198
  267    H    LYS  43           H        LYS  43   3.581   1.745  -9.061
  268    HA   LYS  43           HA       LYS  43   3.405   4.680  -8.651
  269   1HB   LYS  43          HB2       LYS  43   1.308   3.551  -8.416
  270   2HB   LYS  43          HB1       LYS  43   2.012   2.324  -7.360
  271   1HG   LYS  43          HG2       LYS  43   0.685   4.126  -6.164
  272   2HG   LYS  43          HG1       LYS  43   2.340   3.919  -5.591
  273   1HD   LYS  43          HD2       LYS  43   3.001   5.962  -6.357
  274   2HD   LYS  43          HD1       LYS  43   2.013   5.844  -7.815
  275   1HE   LYS  43          HE2       LYS  43   0.127   5.983  -5.787
  276   2HE   LYS  43          HE1       LYS  43   1.387   7.090  -5.240
  277   1HZ   LYS  43          HZ1       LYS  43   1.222   8.344  -7.189
  278   2HZ   LYS  43          HZ2       LYS  43  -0.388   8.032  -6.751
  279   3HZ   LYS  43          HZ3       LYS  43   0.341   7.148  -8.006
  280    H    ILE  44           H        ILE  44   5.059   5.563  -7.532
  281    HA   ILE  44           HA       ILE  44   6.922   4.203  -5.903
  282    HB   ILE  44           HB       ILE  44   7.472   6.400  -6.654
  283   1HG1  ILE  44          2HG1      ILE  44   7.868   7.639  -4.492
  284   2HG1  ILE  44          1HG1      ILE  44   6.892   6.419  -3.675
  285   1HG2  ILE  44          1HG2      ILE  44   5.436   7.485  -7.040
  286   2HG2  ILE  44          2HG2      ILE  44   6.049   8.352  -5.633
  287   3HG2  ILE  44          3HG2      ILE  44   4.817   7.107  -5.432
  288   1HD1  ILE  44          1HD1      ILE  44   8.443   4.662  -4.542
  289   2HD1  ILE  44          2HD1      ILE  44   9.246   5.817  -3.478
  290   3HD1  ILE  44          3HD1      ILE  44   9.454   5.936  -5.225
  291    H    CYS  45           H        CYS  45   6.539   3.133  -4.029
  292    HA   CYS  45           HA       CYS  45   4.370   4.163  -2.246
  293   1HB   CYS  45          HB2       CYS  45   4.373   1.840  -1.282
  294   2HB   CYS  45          HB1       CYS  45   3.896   1.898  -2.977
  295    H    ARG  46           H        ARG  46   7.749   3.644  -2.554
  296    HA   ARG  46           HA       ARG  46   8.209   4.779   0.106
  297   1HB   ARG  46          HB2       ARG  46   8.098   2.020  -0.023
  298   2HB   ARG  46          HB1       ARG  46   9.821   2.342  -0.226
  299   1HG   ARG  46          HG2       ARG  46   9.983   3.459   1.844
  300   2HG   ARG  46          HG1       ARG  46   8.242   3.716   1.944
  301   1HD   ARG  46          HD2       ARG  46   8.231   1.040   1.881
  302   2HD   ARG  46          HD1       ARG  46   9.836   1.274   2.574
  303    HE   ARG  46           HE       ARG  46   7.469   2.603   3.815
  304   1HH1  ARG  46          1HH1      ARG  46  10.650   1.645   4.234
  305   2HH1  ARG  46          2HH1      ARG  46  10.420   0.941   5.800
  306   1HH2  ARG  46          1HH2      ARG  46   6.964   1.192   5.702
  307   2HH2  ARG  46          2HH2      ARG  46   8.335   0.682   6.630
  308    H    ILE  47           H        ILE  47  10.320   5.686   0.251
  309    HA   ILE  47           HA       ILE  47  11.828   5.615  -2.327
  310    HB   ILE  47           HB       ILE  47  10.723   7.800  -1.587
  311   1HG1  ILE  47          2HG1      ILE  47  13.710   8.109  -1.766
  312   2HG1  ILE  47          1HG1      ILE  47  12.817   7.428  -3.126
  313   1HG2  ILE  47          1HG2      ILE  47  11.640   9.010   0.224
  314   2HG2  ILE  47          2HG2      ILE  47  13.065   7.974   0.309
  315   3HG2  ILE  47          3HG2      ILE  47  11.499   7.365   0.846
  316   1HD1  ILE  47          1HD1      ILE  47  11.331   9.420  -3.115
  317   2HD1  ILE  47          2HD1      ILE  47  13.016   9.853  -3.401
  318   3HD1  ILE  47          3HD1      ILE  47  12.296  10.109  -1.811
  319    HA   PRO  48           HA       PRO  48  15.104   3.946   0.190
  320   1HB   PRO  48          HB2       PRO  48  16.933   3.756  -1.852
  321   2HB   PRO  48          HB1       PRO  48  15.614   2.596  -1.614
  322   1HG   PRO  48          HG2       PRO  48  15.879   4.733  -3.671
  323   2HG   PRO  48          HG1       PRO  48  14.951   3.229  -3.731
  324   1HD   PRO  48          HD2       PRO  48  13.906   5.819  -3.227
  325   2HD   PRO  48          HD1       PRO  48  13.045   4.280  -3.016
  326    H    ARG  49           H        ARG  49  16.898   4.889   1.239
  327    HA   ARG  49           HA       ARG  49  17.376   7.729   0.693
  328   1HB   ARG  49          HB2       ARG  49  17.260   6.858   3.017
  329   2HB   ARG  49          HB1       ARG  49  18.704   5.891   2.708
  330   1HG   ARG  49          HG2       ARG  49  19.747   7.744   3.571
  331   2HG   ARG  49          HG1       ARG  49  19.615   8.295   1.901
  332   1HD   ARG  49          HD2       ARG  49  17.676   9.598   2.375
  333   2HD   ARG  49          HD1       ARG  49  17.447   8.819   3.941
  334    HE   ARG  49           HE       ARG  49  19.051  10.298   4.849
  335   1HH1  ARG  49          1HH1      ARG  49  18.304  11.307   1.777
  336   2HH1  ARG  49          2HH1      ARG  49  19.793  12.140   1.477
  337   1HH2  ARG  49          1HH2      ARG  49  21.359  10.914   4.319
  338   2HH2  ARG  49          2HH2      ARG  49  21.522  11.917   2.916
  339    H    GLY  50           H        GLY  50  18.445   7.772  -1.328
  340   1HA   GLY  50          HA2       GLY  50  21.023   8.051  -1.739
  341   2HA   GLY  50          HA1       GLY  50  21.030   6.303  -1.507
  342    H    GLU  51           H        GLU  51  21.868   6.305  -3.784
  343    HA   GLU  51           HA       GLU  51  19.993   7.078  -5.902
  344   1HB   GLU  51          HB2       GLU  51  22.631   5.580  -5.978
  345   2HB   GLU  51          HB1       GLU  51  21.713   6.052  -7.407
  346   1HG   GLU  51          HG2       GLU  51  21.790   8.439  -6.219
  347   2HG   GLU  51          HG1       GLU  51  23.244   7.755  -5.490
  348    H    MET  52           H        MET  52  19.935   4.600  -3.778
  349    HA   MET  52           HA       MET  52  19.701   2.204  -5.191
  350   1HB   MET  52          HB2       MET  52  18.733   3.255  -2.664
  351   2HB   MET  52          HB1       MET  52  17.547   2.171  -3.391
  352   1HG   MET  52          HG2       MET  52  18.795   0.385  -2.838
  353   2HG   MET  52          HG1       MET  52  20.170   1.045  -3.723
  354   1HE   MET  52          HE1       MET  52  18.025   1.732  -0.561
  355   2HE   MET  52          HE2       MET  52  19.174   1.369   0.724
  356   3HE   MET  52          HE3       MET  52  18.692   0.101  -0.400
  357    HA   PRO  53           HA       PRO  53  16.150   2.522  -7.748
  358   1HB   PRO  53          HB2       PRO  53  15.046   0.018  -7.464
  359   2HB   PRO  53          HB1       PRO  53  16.519   0.341  -8.393
  360   1HG   PRO  53          HG2       PRO  53  16.234  -0.923  -5.706
  361   2HG   PRO  53          HG1       PRO  53  17.507  -1.139  -6.918
  362   1HD   PRO  53          HD2       PRO  53  17.702   0.450  -4.587
  363   2HD   PRO  53          HD1       PRO  53  18.812   0.494  -5.975
  364    H    ASP  54           H        ASP  54  14.105   3.374  -7.502
  365    HA   ASP  54           HA       ASP  54  12.925   3.548  -4.860
  366   1HB   ASP  54          HB2       ASP  54  11.540   4.237  -7.456
  367   2HB   ASP  54          HB1       ASP  54  11.302   4.961  -5.865
  368    H    ASP  55           H        ASP  55  10.799   2.745  -4.263
  369    HA   ASP  55           HA       ASP  55  10.248   0.087  -5.455
  370   1HB   ASP  55          HB2       ASP  55  10.446   0.441  -2.946
  371   2HB   ASP  55          HB1       ASP  55   8.941   1.357  -3.035
  372    H    ARG  56           H        ARG  56   8.272  -0.402  -6.462
  373    HA   ARG  56           HA       ARG  56   6.280   1.809  -6.671
  374   1HB   ARG  56          HB2       ARG  56   7.294   0.176  -9.011
  375   2HB   ARG  56          HB1       ARG  56   6.067   1.443  -9.068
  376   1HG   ARG  56          HG2       ARG  56   8.535   2.336  -7.778
  377   2HG   ARG  56          HG1       ARG  56   8.789   1.821  -9.445
  378   1HD   ARG  56          HD2       ARG  56   7.030   3.322 -10.222
  379   2HD   ARG  56          HD1       ARG  56   6.647   3.776  -8.560
  380    HE   ARG  56           HE       ARG  56   8.632   5.109  -8.504
  381   1HH1  ARG  56          1HH2      ARG  56   7.628   5.058 -11.538
  382   2HH1  ARG  56          2HH2      ARG  56   9.173   5.083 -12.320
  383   1HH2  ARG  56          1HH1      ARG  56  10.944   4.351  -9.431
  384   2HH2  ARG  56          2HH1      ARG  56  11.050   4.686 -11.126
  385    H    CYS  57           H        CYS  57   4.212   1.108  -6.448
  386    HA   CYS  57           HA       CYS  57   3.674  -1.642  -5.787
  387   1HB   CYS  57          HB2       CYS  57   1.851   0.680  -6.477
  388   2HB   CYS  57          HB1       CYS  57   1.250  -0.905  -5.991
  389    H    THR  58           H        THR  58   2.176  -3.044  -7.032
  390    HA   THR  58           HA       THR  58   2.889  -3.015  -9.885
  391    HB   THR  58           HB       THR  58   1.951  -5.232  -9.948
  392    HG1  THR  58           HG1      THR  58   0.652  -4.312  -7.650
  393   1HG2  THR  58          1HG2      THR  58   4.027  -5.442  -8.912
  394   2HG2  THR  58          2HG2      THR  58   2.965  -6.181  -7.712
  395   3HG2  THR  58          3HG2      THR  58   3.523  -4.522  -7.494
  396    H    GLY  59           H        GLY  59   0.787  -1.206  -8.366
  397   1HA   GLY  59          HA2       GLY  59  -1.060  -0.006  -9.254
  398   2HA   GLY  59          HA1       GLY  59  -1.055  -1.097 -10.641
  399    H    GLN  60           H        GLN  60  -1.392  -3.558  -9.564
  400    HA   GLN  60           HA       GLN  60  -4.166  -3.432  -8.622
  401   1HB   GLN  60          HB2       GLN  60  -2.560  -5.968  -8.828
  402   2HB   GLN  60          HB1       GLN  60  -4.281  -5.717  -9.121
  403   1HG   GLN  60          HG2       GLN  60  -3.586  -4.233 -11.085
  404   2HG   GLN  60          HG1       GLN  60  -1.960  -4.885 -10.871
  405   1HE2  GLN  60          1HE2      GLN  60  -1.993  -6.103 -12.880
  406   2HE2  GLN  60          2HE2      GLN  60  -2.992  -7.461 -13.088
  407    H    SER  61           H        SER  61  -1.261  -3.163  -7.070
  408    HA   SER  61           HA       SER  61  -2.213  -4.648  -4.659
  409   1HB   SER  61          HB2       SER  61  -0.022  -5.381  -5.156
  410   2HB   SER  61          HB1       SER  61   0.515  -3.761  -5.592
  411    HG   SER  61           HG       SER  61  -0.446  -4.244  -3.001
  412    H    ALA  62           H        ALA  62  -3.333  -3.313  -3.318
  413    HA   ALA  62           HA       ALA  62  -3.081  -0.443  -3.356
  414   1HB   ALA  62          HB1       ALA  62  -4.299  -0.792  -1.027
  415   2HB   ALA  62          HB2       ALA  62  -4.467  -2.448  -1.610
  416   3HB   ALA  62          HB3       ALA  62  -5.151  -1.114  -2.537
  417    H    ASP  63           H        ASP  63  -1.778  -2.977  -1.228
  418    HA   ASP  63           HA       ASP  63  -0.356  -0.972   0.395
  419   1HB   ASP  63          HB2       ASP  63  -0.238  -4.004   0.459
  420   2HB   ASP  63          HB1       ASP  63   0.459  -2.919   1.663
  421    H    CYS  64           H        CYS  64   2.096  -1.575   0.789
  422    HA   CYS  64           HA       CYS  64   3.331  -2.153  -1.871
  423   1HB   CYS  64          HB2       CYS  64   3.588   0.198  -1.450
  424   2HB   CYS  64          HB1       CYS  64   4.132  -0.097   0.200
  425    HA   PRO  65           HA       PRO  65   5.203  -5.260   0.698
  426   1HB   PRO  65          HB2       PRO  65   5.891  -6.807  -1.454
  427   2HB   PRO  65          HB1       PRO  65   4.289  -6.836  -0.713
  428   1HG   PRO  65          HG2       PRO  65   5.148  -5.699  -3.312
  429   2HG   PRO  65          HG1       PRO  65   3.526  -6.172  -2.778
  430   1HD   PRO  65          HD2       PRO  65   4.589  -3.523  -2.913
  431   2HD   PRO  65          HD1       PRO  65   3.024  -4.008  -2.232
  432    H    ARG  66           H        ARG  66   6.901  -5.323  -2.401
  433    HA   ARG  66           HA       ARG  66   9.177  -3.779  -1.363
  434   1HB   ARG  66          HB2       ARG  66  10.784  -5.612  -1.561
  435   2HB   ARG  66          HB1       ARG  66   9.521  -6.063  -0.415
  436   1HG   ARG  66          HG2       ARG  66   8.989  -6.759  -3.247
  437   2HG   ARG  66          HG1       ARG  66  10.296  -7.654  -2.472
  438   1HD   ARG  66          HD2       ARG  66   8.883  -8.573  -0.848
  439   2HD   ARG  66          HD1       ARG  66   7.668  -7.310  -1.051
  440    HE   ARG  66           HE       ARG  66   8.092  -9.069  -3.381
  441   1HH1  ARG  66          1HH2      ARG  66   6.954 -10.391  -0.790
  442   2HH1  ARG  66          2HH2      ARG  66   5.261 -10.339  -1.154
  443   1HH2  ARG  66          1HH1      ARG  66   5.621  -8.074  -3.755
  444   2HH2  ARG  66          2HH1      ARG  66   4.506  -9.023  -2.829
  445    H    TYR  67           H        TYR  67  10.988  -3.819  -3.110
  446    HA   TYR  67           HA       TYR  67   9.748  -3.184  -5.651
  447   1HB   TYR  67          HB2       TYR  67  11.890  -2.470  -6.342
  448   2HB   TYR  67          HB1       TYR  67  11.895  -2.166  -4.607
  449    HD1  TYR  67           HD2      TYR  67  12.979  -3.854  -3.059
  450    HD2  TYR  67           HD1      TYR  67  13.406  -4.015  -7.330
  451    HE1  TYR  67           HE2      TYR  67  14.947  -5.343  -2.807
  452    HE2  TYR  67           HE1      TYR  67  15.374  -5.502  -7.078
  453    HH   TYR  67           HH       TYR  67  16.329  -6.766  -3.924
  454    H    HIS  68           H        HIS  68  11.202  -6.021  -4.270
  455    HA   HIS  68           HA       HIS  68  11.732  -8.116  -5.215
  456   1HB   HIS  68          HB2       HIS  68   9.174  -7.908  -5.286
  457   2HB   HIS  68          HB1       HIS  68   9.362  -7.536  -6.999
  458    HD1  HIS  68           HD1      HIS  68   9.388 -10.333  -4.585
  459    HD2  HIS  68           HD2      HIS  68  10.564  -9.714  -8.536
  460    HE1  HIS  68           HE1      HIS  68   9.750 -12.628  -5.593
  Start of MODEL    9
    1   1H    GLY   1          HT1       GLY   1  -7.598 -12.728   6.492
    2   2H    GLY   1          HT2       GLY   1  -7.967 -11.095   6.206
    3   3H    GLY   1          HT3       GLY   1  -6.564 -11.782   5.536
    4   1HA   GLY   1          HA1       GLY   1  -7.642 -12.583   3.779
    5   2HA   GLY   1          HA2       GLY   1  -8.937 -13.209   4.800
    6    H    LYS   2           H        LYS   2 -10.701 -12.408   3.649
    7    HA   LYS   2           HA       LYS   2 -10.760  -9.538   2.930
    8   1HB   LYS   2          HB2       LYS   2 -11.632 -11.455   1.439
    9   2HB   LYS   2          HB1       LYS   2 -13.002 -11.525   2.548
   10   1HG   LYS   2          HG2       LYS   2 -13.934  -9.877   1.324
   11   2HG   LYS   2          HG1       LYS   2 -12.709  -8.803   2.002
   12   1HD   LYS   2          HD2       LYS   2 -11.717 -10.442  -0.224
   13   2HD   LYS   2          HD1       LYS   2 -13.022  -9.348  -0.685
   14   1HE   LYS   2          HE2       LYS   2 -11.821  -7.434   0.014
   15   2HE   LYS   2          HE1       LYS   2 -10.685  -8.391   0.966
   16   1HZ   LYS   2          HZ1       LYS   2  -9.392  -8.652  -0.798
   17   2HZ   LYS   2          HZ2       LYS   2 -10.376  -7.554  -1.642
   18   3HZ   LYS   2          HZ3       LYS   2 -10.678  -9.224  -1.744
   19    H    GLU   3           H        GLU   3 -11.543  -8.087   4.385
   20    HA   GLU   3           HA       GLU   3 -13.998  -8.508   5.812
   21   1HB   GLU   3          HB2       GLU   3 -12.428  -9.997   7.116
   22   2HB   GLU   3          HB1       GLU   3 -11.524  -8.545   7.550
   23   1HG   GLU   3          HG2       GLU   3 -14.474  -8.498   7.986
   24   2HG   GLU   3          HG1       GLU   3 -13.508  -9.479   9.089
   25    H    CYS   4           H        CYS   4 -10.915  -6.784   5.758
   26    HA   CYS   4           HA       CYS   4 -12.464  -4.268   6.185
   27   1HB   CYS   4          HB2       CYS   4 -11.215  -4.778   8.236
   28   2HB   CYS   4          HB1       CYS   4  -9.724  -4.925   7.306
   29    H    ASP   5           H        ASP   5 -12.010  -2.655   4.731
   30    HA   ASP   5           HA       ASP   5  -9.818  -3.198   2.773
   31   1HB   ASP   5          HB2       ASP   5 -12.536  -2.759   2.327
   32   2HB   ASP   5          HB1       ASP   5 -11.790  -1.203   1.957
   33    H    CYS   6           H        CYS   6 -11.106  -0.907   5.067
   34    HA   CYS   6           HA       CYS   6  -8.918   0.992   4.302
   35   1HB   CYS   6          HB2       CYS   6 -10.289   2.828   4.997
   36   2HB   CYS   6          HB1       CYS   6 -11.299   1.823   3.959
   37    H    SER   7           H        SER   7  -7.502   1.542   5.929
   38    HA   SER   7           HA       SER   7  -7.730   0.079   8.463
   39   1HB   SER   7          HB2       SER   7  -5.526   1.477   8.871
   40   2HB   SER   7          HB1       SER   7  -5.515   0.112   7.758
   41    HG   SER   7           HG       SER   7  -4.835   1.564   6.392
   42    H    SER   8           H        SER   8  -8.309   3.312   7.288
   43    HA   SER   8           HA       SER   8  -8.372   4.450  10.003
   44   1HB   SER   8          HB2       SER   8  -7.942   5.511   7.465
   45   2HB   SER   8          HB1       SER   8  -9.552   6.085   7.891
   46    HG   SER   8           HG       SER   8  -7.452   7.223   8.636
   47    HA   PRO   9           HA       PRO   9 -12.684   3.310  10.302
   48   1HB   PRO   9          HB2       PRO   9 -12.994   4.200  12.885
   49   2HB   PRO   9          HB1       PRO   9 -12.241   2.650  12.468
   50   1HG   PRO   9          HG2       PRO   9 -10.951   5.169  13.403
   51   2HG   PRO   9          HG1       PRO   9 -10.395   3.496  13.569
   52   1HD   PRO   9          HD2       PRO   9  -9.449   5.384  11.678
   53   2HD   PRO   9          HD1       PRO   9  -9.140   3.634  11.655
   54    H    GLU  10           H        GLU  10 -11.268   6.434  10.475
   55    HA   GLU  10           HA       GLU  10 -13.921   7.772  10.661
   56   1HB   GLU  10          HB2       GLU  10 -11.887   8.561  12.013
   57   2HB   GLU  10          HB1       GLU  10 -11.220   9.121  10.480
   58   1HG   GLU  10          HG2       GLU  10 -12.346  11.020  11.307
   59   2HG   GLU  10          HG1       GLU  10 -13.500  10.322  10.171
   60    H    ASN  11           H        ASN  11 -12.646   6.232   8.305
   61    HA   ASN  11           HA       ASN  11 -12.478   8.394   6.294
   62   1HB   ASN  11          HB2       ASN  11 -10.965   6.256   6.455
   63   2HB   ASN  11          HB1       ASN  11 -12.321   5.464   5.654
   64   1HD2  ASN  11          1HD2      ASN  11  -9.447   6.972   4.972
   65   2HD2  ASN  11          2HD2      ASN  11  -9.792   7.559   3.416
   66    HA   PRO  12           HA       PRO  12 -16.778   7.664   5.375
   67   1HB   PRO  12          HB2       PRO  12 -16.949   9.566   3.398
   68   2HB   PRO  12          HB1       PRO  12 -16.989   9.946   5.128
   69   1HG   PRO  12          HG2       PRO  12 -14.776  10.350   3.170
   70   2HG   PRO  12          HG1       PRO  12 -15.120  11.225   4.673
   71   1HD   PRO  12          HD2       PRO  12 -13.151   9.215   4.332
   72   2HD   PRO  12          HD1       PRO  12 -13.722   9.871   5.881
   73    H    CYS  13           H        CYS  13 -14.082   7.306   3.242
   74    HA   CYS  13           HA       CYS  13 -15.545   6.463   0.890
   75   1HB   CYS  13          HB2       CYS  13 -13.041   7.244   1.167
   76   2HB   CYS  13          HB1       CYS  13 -12.750   5.534   1.496
   77    H    CYS  14           H        CYS  14 -14.774   4.967   3.893
   78    HA   CYS  14           HA       CYS  14 -15.652   2.359   2.742
   79   1HB   CYS  14          HB2       CYS  14 -14.103   1.167   4.103
   80   2HB   CYS  14          HB1       CYS  14 -13.182   2.476   3.365
   81    H    ASP  15           H        ASP  15 -16.128   0.865   4.848
   82    HA   ASP  15           HA       ASP  15 -17.991   2.470   6.548
   83   1HB   ASP  15          HB2       ASP  15 -18.907   0.785   4.757
   84   2HB   ASP  15          HB1       ASP  15 -18.416  -0.440   5.924
   85    H    ALA  16           H        ALA  16 -17.163   2.535   8.579
   86    HA   ALA  16           HA       ALA  16 -15.172   0.728   9.566
   87   1HB   ALA  16          HB1       ALA  16 -15.661   3.073  10.417
   88   2HB   ALA  16          HB2       ALA  16 -15.432   1.854  11.671
   89   3HB   ALA  16          HB3       ALA  16 -17.058   2.393  11.251
   90    H    ALA  17           H        ALA  17 -18.664   0.595   9.518
   91    HA   ALA  17           HA       ALA  17 -19.225  -1.150  11.639
   92   1HB   ALA  17          HB1       ALA  17 -20.392  -1.426   8.854
   93   2HB   ALA  17          HB2       ALA  17 -20.897  -0.183   9.998
   94   3HB   ALA  17          HB3       ALA  17 -21.149  -1.886  10.379
   95    H    THR  18           H        THR  18 -18.257  -2.047   8.315
   96    HA   THR  18           HA       THR  18 -17.414  -4.703   9.399
   97    HB   THR  18           HB       THR  18 -18.924  -5.212   7.689
   98    HG1  THR  18           HG1      THR  18 -17.398  -6.330   6.789
   99   1HG2  THR  18          1HG2      THR  18 -19.401  -2.950   6.967
  100   2HG2  THR  18          2HG2      THR  18 -18.997  -3.910   5.545
  101   3HG2  THR  18          3HG2      THR  18 -17.806  -2.805   6.229
  102    H    CYS  19           H        CYS  19 -16.237  -1.722   8.428
  103    HA   CYS  19           HA       CYS  19 -14.008  -1.010   8.156
  104   1HB   CYS  19          HB2       CYS  19 -13.660  -3.246   9.574
  105   2HB   CYS  19          HB1       CYS  19 -12.998  -3.822   8.044
  106    H    LYS  20           H        LYS  20 -15.903  -2.273   5.996
  107    HA   LYS  20           HA       LYS  20 -13.786  -2.686   3.923
  108   1HB   LYS  20          HB2       LYS  20 -16.724  -3.429   3.796
  109   2HB   LYS  20          HB1       LYS  20 -15.486  -3.833   2.604
  110   1HG   LYS  20          HG2       LYS  20 -14.303  -5.208   4.210
  111   2HG   LYS  20          HG1       LYS  20 -15.384  -4.696   5.506
  112   1HD   LYS  20          HD2       LYS  20 -15.989  -6.940   4.630
  113   2HD   LYS  20          HD1       LYS  20 -17.282  -5.765   4.380
  114   1HE   LYS  20          HE2       LYS  20 -16.963  -5.693   2.094
  115   2HE   LYS  20          HE1       LYS  20 -15.245  -6.074   2.216
  116   1HZ   LYS  20          HZ1       LYS  20 -16.672  -7.890   1.309
  117   2HZ   LYS  20          HZ2       LYS  20 -17.394  -8.019   2.842
  118   3HZ   LYS  20          HZ3       LYS  20 -15.735  -8.332   2.652
  119    H    LEU  21           H        LEU  21 -14.740  -1.976   1.639
  120    HA   LEU  21           HA       LEU  21 -15.157   0.893   1.845
  121   1HB   LEU  21          HB2       LEU  21 -14.768  -1.067  -0.376
  122   2HB   LEU  21          HB1       LEU  21 -15.464   0.509  -0.762
  123    HG   LEU  21           HG       LEU  21 -13.258   0.903   1.027
  124   1HD1  LEU  21          1HD1      LEU  21 -11.572  -0.388   0.238
  125   2HD1  LEU  21          2HD1      LEU  21 -12.091  -0.184  -1.434
  126   3HD1  LEU  21          3HD1      LEU  21 -12.848  -1.413  -0.421
  127   1HD2  LEU  21          1HD2      LEU  21 -12.675   1.651  -1.682
  128   2HD2  LEU  21          2HD2      LEU  21 -13.148   2.690  -0.337
  129   3HD2  LEU  21          3HD2      LEU  21 -14.381   1.959  -1.365
  130    H    ARG  22           H        ARG  22 -17.072   2.008   1.606
  131    HA   ARG  22           HA       ARG  22 -19.547   0.431   1.646
  132   1HB   ARG  22          HB2       ARG  22 -18.785   2.842   2.767
  133   2HB   ARG  22          HB1       ARG  22 -19.834   3.340   1.439
  134   1HG   ARG  22          HG2       ARG  22 -21.090   1.112   2.656
  135   2HG   ARG  22          HG1       ARG  22 -20.571   2.174   3.966
  136   1HD   ARG  22          HD2       ARG  22 -21.564   4.070   2.437
  137   2HD   ARG  22          HD1       ARG  22 -22.467   2.742   1.708
  138    HE   ARG  22           HE       ARG  22 -22.661   2.685   4.595
  139   1HH1  ARG  22          1HH1      ARG  22 -23.324   5.356   2.827
  140   2HH1  ARG  22          2HH1      ARG  22 -25.047   5.314   3.006
  141   1HH2  ARG  22          1HH2      ARG  22 -25.092   2.121   4.359
  142   2HH2  ARG  22          2HH2      ARG  22 -26.048   3.483   3.875
  143    HA   PRO  23           HA       PRO  23 -20.240   2.822  -2.425
  144   1HB   PRO  23          HB2       PRO  23 -18.171   4.366  -3.370
  145   2HB   PRO  23          HB1       PRO  23 -19.418   4.970  -2.264
  146   1HG   PRO  23          HG2       PRO  23 -16.575   4.309  -1.695
  147   2HG   PRO  23          HG1       PRO  23 -17.666   5.405  -0.833
  148   1HD   PRO  23          HD2       PRO  23 -16.943   2.768  -0.045
  149   2HD   PRO  23          HD1       PRO  23 -18.201   3.784   0.689
  150    H    GLY  24           H        GLY  24 -18.711   3.064  -4.741
  151   1HA   GLY  24          HA2       GLY  24 -17.808   0.282  -5.114
  152   2HA   GLY  24          HA1       GLY  24 -18.046   1.473  -6.394
  153    H    ALA  25           H        ALA  25 -16.268   2.534  -3.641
  154    HA   ALA  25           HA       ALA  25 -13.905   3.030  -5.235
  155   1HB   ALA  25          HB1       ALA  25 -14.043   4.592  -3.547
  156   2HB   ALA  25          HB2       ALA  25 -13.008   3.420  -2.732
  157   3HB   ALA  25          HB3       ALA  25 -14.739   3.449  -2.401
  158    H    GLN  26           H        GLN  26 -12.190   1.658  -5.570
  159    HA   GLN  26           HA       GLN  26 -12.276  -1.041  -4.534
  160   1HB   GLN  26          HB2       GLN  26 -10.990   0.258  -6.640
  161   2HB   GLN  26          HB1       GLN  26  -9.673  -0.204  -5.560
  162   1HG   GLN  26          HG2       GLN  26  -9.834  -2.327  -6.276
  163   2HG   GLN  26          HG1       GLN  26 -11.494  -2.395  -5.684
  164   1HE2  GLN  26          1HE2      GLN  26 -10.976  -3.829  -7.993
  165   2HE2  GLN  26          2HE2      GLN  26 -11.638  -3.043  -9.344
  166    H    CYS  27           H        CYS  27 -10.993   1.914  -3.329
  167    HA   CYS  27           HA       CYS  27  -9.939   0.518  -0.972
  168   1HB   CYS  27          HB2       CYS  27  -7.745   1.925  -1.246
  169   2HB   CYS  27          HB1       CYS  27  -7.894   0.393  -2.106
  170    H    GLY  28           H        GLY  28 -10.859   1.703   0.626
  171   1HA   GLY  28          HA2       GLY  28 -11.675   4.455   0.225
  172   2HA   GLY  28          HA1       GLY  28 -11.749   3.580   1.754
  173    H    GLU  29           H        GLU  29  -8.773   2.916   1.234
  174    HA   GLU  29           HA       GLU  29  -7.387   5.457   1.403
  175   1HB   GLU  29          HB2       GLU  29  -8.567   5.219   3.659
  176   2HB   GLU  29          HB1       GLU  29  -7.494   3.856   3.966
  177   1HG   GLU  29          HG2       GLU  29  -5.554   5.419   3.433
  178   2HG   GLU  29          HG1       GLU  29  -6.722   6.740   3.480
  179    H    GLY  30           H        GLY  30  -5.044   5.115   1.656
  180   1HA   GLY  30          HA2       GLY  30  -3.646   2.802   2.166
  181   2HA   GLY  30          HA1       GLY  30  -4.220   2.551   0.516
  182    H    LEU  31           H        LEU  31  -1.515   2.671   0.853
  183    HA   LEU  31           HA       LEU  31  -0.541   5.411   0.496
  184   1HB   LEU  31          HB2       LEU  31   0.737   2.680   0.421
  185   2HB   LEU  31          HB1       LEU  31   1.626   4.111  -0.094
  186    HG   LEU  31           HG       LEU  31   2.026   3.603   2.298
  187   1HD1  LEU  31          1HD1      LEU  31   0.590   5.983   2.870
  188   2HD1  LEU  31          2HD1      LEU  31   1.096   6.088   1.183
  189   3HD1  LEU  31          3HD1      LEU  31   2.296   5.831   2.450
  190   1HD2  LEU  31          1HD2      LEU  31  -0.486   2.742   2.436
  191   2HD2  LEU  31          2HD2      LEU  31  -0.790   4.409   2.923
  192   3HD2  LEU  31          3HD2      LEU  31   0.319   3.406   3.857
  193    H    CYS  32           H        CYS  32  -1.698   2.841  -1.519
  194    HA   CYS  32           HA       CYS  32  -0.848   4.415  -3.918
  195   1HB   CYS  32          HB2       CYS  32  -0.850   1.451  -3.422
  196   2HB   CYS  32          HB1       CYS  32  -1.060   2.063  -5.062
  197    H    CYS  33           H        CYS  33  -3.192   5.141  -2.821
  198    HA   CYS  33           HA       CYS  33  -5.190   3.909  -4.661
  199   1HB   CYS  33          HB2       CYS  33  -5.598   3.054  -2.384
  200   2HB   CYS  33          HB1       CYS  33  -5.674   4.705  -1.773
  201    H    GLU  34           H        GLU  34  -5.553   5.539  -6.093
  202    HA   GLU  34           HA       GLU  34  -5.769   8.324  -5.050
  203   1HB   GLU  34          HB2       GLU  34  -5.539   7.450  -7.943
  204   2HB   GLU  34          HB1       GLU  34  -5.311   9.073  -7.290
  205   1HG   GLU  34          HG2       GLU  34  -3.278   8.477  -6.219
  206   2HG   GLU  34          HG1       GLU  34  -3.593   6.752  -6.405
  207    H    GLN  35           H        GLN  35  -7.739   9.357  -5.186
  208    HA   GLN  35           HA       GLN  35 -10.039   9.606  -5.563
  209   1HB   GLN  35          HB2       GLN  35  -8.932   8.533  -8.015
  210   2HB   GLN  35          HB1       GLN  35 -10.555   7.897  -7.748
  211   1HG   GLN  35          HG2       GLN  35 -11.289   9.854  -8.617
  212   2HG   GLN  35          HG1       GLN  35 -10.833  10.562  -7.067
  213   1HE2  GLN  35          1HE2      GLN  35  -9.001   9.498 -10.010
  214   2HE2  GLN  35          2HE2      GLN  35  -8.093  10.928 -10.130
  215    H    CYS  36           H        CYS  36  -8.852   7.352  -3.985
  216    HA   CYS  36           HA       CYS  36  -9.677   5.528  -2.768
  217   1HB   CYS  36          HB2       CYS  36 -12.105   6.855  -3.833
  218   2HB   CYS  36          HB1       CYS  36 -12.302   5.179  -3.326
  219    H    LYS  37           H        LYS  37  -8.717   5.317  -5.622
  220    HA   LYS  37           HA       LYS  37 -10.013   2.691  -6.246
  221   1HB   LYS  37          HB2       LYS  37  -9.585   5.043  -7.926
  222   2HB   LYS  37          HB1       LYS  37  -8.864   3.590  -8.621
  223   1HG   LYS  37          HG2       LYS  37 -10.909   2.483  -8.774
  224   2HG   LYS  37          HG1       LYS  37 -11.643   3.453  -7.497
  225   1HD   LYS  37          HD2       LYS  37 -10.767   4.768 -10.055
  226   2HD   LYS  37          HD1       LYS  37 -12.310   3.915  -9.989
  227   1HE   LYS  37          HE2       LYS  37 -13.138   5.336  -8.263
  228   2HE   LYS  37          HE1       LYS  37 -11.536   5.999  -7.941
  229   1HZ   LYS  37          HZ1       LYS  37 -12.970   6.324 -10.518
  230   2HZ   LYS  37          HZ2       LYS  37 -11.535   7.097 -10.035
  231   3HZ   LYS  37          HZ3       LYS  37 -13.006   7.472  -9.270
  232    H    PHE  38           H        PHE  38  -8.519   1.158  -7.359
  233    HA   PHE  38           HA       PHE  38  -5.979   1.014  -6.008
  234   1HB   PHE  38          HB2       PHE  38  -7.223  -0.523  -8.287
  235   2HB   PHE  38          HB1       PHE  38  -5.570  -0.840  -7.769
  236    HD1  PHE  38           HD1      PHE  38  -7.362   0.305  -4.969
  237    HD2  PHE  38           HD2      PHE  38  -6.861  -3.170  -7.440
  238    HE1  PHE  38           HE1      PHE  38  -8.205  -1.124  -3.129
  239    HE2  PHE  38           HE2      PHE  38  -7.706  -4.599  -5.599
  240    HZ   PHE  38           HZ       PHE  38  -8.379  -3.575  -3.443
  241    H    SER  39           H        SER  39  -4.063   1.928  -6.598
  242    HA   SER  39           HA       SER  39  -3.869   3.626  -8.924
  243   1HB   SER  39          HB2       SER  39  -1.580   2.475  -7.302
  244   2HB   SER  39          HB1       SER  39  -1.556   3.938  -8.283
  245    HG   SER  39           HG       SER  39  -3.467   4.455  -6.763
  246    H    ARG  40           H        ARG  40  -1.285   2.864  -9.938
  247    HA   ARG  40           HA       ARG  40  -1.981   0.252 -11.227
  248   1HB   ARG  40          HB2       ARG  40  -1.770   2.726 -12.478
  249   2HB   ARG  40          HB1       ARG  40  -0.198   1.986 -12.777
  250   1HG   ARG  40          HG2       ARG  40  -1.124   0.166 -13.925
  251   2HG   ARG  40          HG1       ARG  40  -2.712   0.387 -13.189
  252   1HD   ARG  40          HD2       ARG  40  -2.985   2.505 -14.454
  253   2HD   ARG  40          HD1       ARG  40  -1.423   2.229 -15.225
  254    HE   ARG  40           HE       ARG  40  -2.405   0.446 -16.501
  255   1HH1  ARG  40          1HH1      ARG  40  -4.658   2.606 -16.275
  256   2HH1  ARG  40          2HH1      ARG  40  -6.026   1.574 -16.033
  257   1HH2  ARG  40          1HH2      ARG  40  -4.122  -1.227 -15.292
  258   2HH2  ARG  40          2HH2      ARG  40  -5.725  -0.594 -15.476
  259    H    ALA  41           H        ALA  41  -0.200  -1.166 -11.647
  260    HA   ALA  41           HA       ALA  41   1.848  -1.276  -9.722
  261   1HB   ALA  41          HB1       ALA  41   2.202  -3.254 -10.743
  262   2HB   ALA  41          HB2       ALA  41   2.801  -2.426 -12.180
  263   3HB   ALA  41          HB3       ALA  41   1.080  -2.773 -12.015
  264    H    GLY  42           H        GLY  42   4.288  -1.109 -10.274
  265   1HA   GLY  42          HA2       GLY  42   6.093   0.223 -11.014
  266   2HA   GLY  42          HA1       GLY  42   5.069   0.760 -12.344
  267    H    LYS  43           H        LYS  43   4.031   0.976  -9.005
  268    HA   LYS  43           HA       LYS  43   4.271   3.957  -9.244
  269   1HB   LYS  43          HB2       LYS  43   1.945   3.359  -9.236
  270   2HB   LYS  43          HB1       LYS  43   2.175   2.244  -7.888
  271   1HG   LYS  43          HG2       LYS  43   1.179   4.351  -7.100
  272   2HG   LYS  43          HG1       LYS  43   2.799   4.147  -6.432
  273   1HD   LYS  43          HD2       LYS  43   2.765   6.390  -7.181
  274   2HD   LYS  43          HD1       LYS  43   3.604   5.520  -8.467
  275   1HE   LYS  43          HE2       LYS  43   1.717   5.556  -9.886
  276   2HE   LYS  43          HE1       LYS  43   0.617   5.924  -8.556
  277   1HZ   LYS  43          HZ1       LYS  43   1.972   8.058  -8.338
  278   2HZ   LYS  43          HZ2       LYS  43   0.892   7.941  -9.645
  279   3HZ   LYS  43          HZ3       LYS  43   2.557   7.706  -9.891
  280    H    ILE  44           H        ILE  44   5.866   4.688  -7.938
  281    HA   ILE  44           HA       ILE  44   7.015   3.179  -5.812
  282    HB   ILE  44           HB       ILE  44   8.300   4.960  -6.803
  283   1HG1  ILE  44          2HG1      ILE  44   8.777   6.394  -4.757
  284   2HG1  ILE  44          1HG1      ILE  44   7.425   5.581  -3.967
  285   1HG2  ILE  44          1HG2      ILE  44   5.927   6.651  -6.006
  286   2HG2  ILE  44          2HG2      ILE  44   6.638   6.453  -7.608
  287   3HG2  ILE  44          3HG2      ILE  44   7.496   7.368  -6.369
  288   1HD1  ILE  44          1HD1      ILE  44   9.245   3.687  -5.239
  289   2HD1  ILE  44          2HD1      ILE  44   8.648   3.723  -3.580
  290   3HD1  ILE  44          3HD1      ILE  44  10.059   4.681  -4.030
  291    H    CYS  45           H        CYS  45   6.305   2.889  -3.741
  292    HA   CYS  45           HA       CYS  45   4.030   4.602  -2.826
  293   1HB   CYS  45          HB2       CYS  45   3.734   2.638  -1.152
  294   2HB   CYS  45          HB1       CYS  45   3.230   2.401  -2.821
  295    H    ARG  46           H        ARG  46   7.299   3.726  -2.206
  296    HA   ARG  46           HA       ARG  46   7.347   5.586   0.071
  297   1HB   ARG  46          HB2       ARG  46   8.573   2.891   0.562
  298   2HB   ARG  46          HB1       ARG  46   8.003   4.087   1.728
  299   1HG   ARG  46          HG2       ARG  46   5.669   3.620   1.077
  300   2HG   ARG  46          HG1       ARG  46   6.233   2.423  -0.090
  301   1HD   ARG  46          HD2       ARG  46   6.732   2.308   2.900
  302   2HD   ARG  46          HD1       ARG  46   5.513   1.369   2.039
  303    HE   ARG  46           HE       ARG  46   7.492   0.367   0.757
  304   1HH1  ARG  46          1HH1      ARG  46   9.169   2.352   2.616
  305   2HH1  ARG  46          2HH1      ARG  46   9.939   1.172   3.623
  306   1HH2  ARG  46          1HH2      ARG  46   7.888  -1.427   2.604
  307   2HH2  ARG  46          2HH2      ARG  46   9.217  -0.967   3.613
  308    H    ILE  47           H        ILE  47   9.409   6.441   0.422
  309    HA   ILE  47           HA       ILE  47  11.548   5.464  -1.418
  310    HB   ILE  47           HB       ILE  47  10.411   7.499  -2.304
  311   1HG1  ILE  47          2HG1      ILE  47  13.203   8.145  -1.332
  312   2HG1  ILE  47          1HG1      ILE  47  12.881   7.000  -2.637
  313   1HG2  ILE  47          1HG2      ILE  47  11.629   9.247  -0.268
  314   2HG2  ILE  47          2HG2      ILE  47  10.282   8.273   0.321
  315   3HG2  ILE  47          3HG2      ILE  47  10.053   9.357  -1.051
  316   1HD1  ILE  47          1HD1      ILE  47  11.686   9.760  -2.700
  317   2HD1  ILE  47          2HD1      ILE  47  11.987   8.656  -4.042
  318   3HD1  ILE  47          3HD1      ILE  47  13.335   9.486  -3.262
  319    HA   PRO  48           HA       PRO  48  13.175   5.750   2.860
  320   1HB   PRO  48          HB2       PRO  48  14.484   3.335   2.733
  321   2HB   PRO  48          HB1       PRO  48  12.793   3.509   3.235
  322   1HG   PRO  48          HG2       PRO  48  13.890   2.488   0.654
  323   2HG   PRO  48          HG1       PRO  48  12.357   2.102   1.453
  324   1HD   PRO  48          HD2       PRO  48  12.675   3.864  -0.732
  325   2HD   PRO  48          HD1       PRO  48  11.237   3.742   0.305
  326    H    ARG  49           H        ARG  49  14.939   7.090   2.911
  327    HA   ARG  49           HA       ARG  49  17.073   6.758   0.878
  328   1HB   ARG  49          HB2       ARG  49  16.166   9.024   1.260
  329   2HB   ARG  49          HB1       ARG  49  16.639   8.925   2.957
  330   1HG   ARG  49          HG2       ARG  49  18.581   9.877   2.271
  331   2HG   ARG  49          HG1       ARG  49  18.982   8.267   1.671
  332   1HD   ARG  49          HD2       ARG  49  17.292   9.558  -0.250
  333   2HD   ARG  49          HD1       ARG  49  18.614  10.651   0.158
  334    HE   ARG  49           HE       ARG  49  19.792   8.132  -0.248
  335   1HH1  ARG  49          1HH2      ARG  49  18.425  10.803  -1.891
  336   2HH1  ARG  49          2HH2      ARG  49  18.859  10.239  -3.470
  337   1HH2  ARG  49          1HH1      ARG  49  20.134   7.222  -2.332
  338   2HH2  ARG  49          2HH1      ARG  49  19.827   8.212  -3.720
  339    H    GLY  50           H        GLY  50  18.781   5.499   1.422
  340   1HA   GLY  50          HA2       GLY  50  20.675   5.675   3.268
  341   2HA   GLY  50          HA1       GLY  50  19.382   5.058   4.298
  342    H    GLU  51           H        GLU  51  20.819   4.297   1.098
  343    HA   GLU  51           HA       GLU  51  21.450   2.229   0.189
  344   1HB   GLU  51          HB2       GLU  51  21.984   2.051   3.026
  345   2HB   GLU  51          HB1       GLU  51  21.451   0.486   2.411
  346   1HG   GLU  51          HG2       GLU  51  23.271   1.699   0.530
  347   2HG   GLU  51          HG1       GLU  51  24.012   1.652   2.130
  348    H    MET  52           H        MET  52  18.538   2.974   0.993
  349    HA   MET  52           HA       MET  52  17.409   0.216   0.993
  350   1HB   MET  52          HB2       MET  52  16.196   2.916   1.630
  351   2HB   MET  52          HB1       MET  52  15.236   1.444   1.479
  352   1HG   MET  52          HG2       MET  52  17.287   0.654   3.153
  353   2HG   MET  52          HG1       MET  52  16.984   2.313   3.670
  354   1HE   MET  52          HE1       MET  52  14.107   2.614   5.414
  355   2HE   MET  52          HE2       MET  52  15.802   2.945   5.069
  356   3HE   MET  52          HE3       MET  52  15.376   1.721   6.263
  357    HA   PRO  53           HA       PRO  53  16.328   0.735  -3.251
  358   1HB   PRO  53          HB2       PRO  53  14.456  -1.276  -3.393
  359   2HB   PRO  53          HB1       PRO  53  16.205  -1.565  -3.362
  360   1HG   PRO  53          HG2       PRO  53  14.198  -1.946  -1.185
  361   2HG   PRO  53          HG1       PRO  53  15.734  -2.787  -1.455
  362   1HD   PRO  53          HD2       PRO  53  15.301  -0.729   0.427
  363   2HD   PRO  53          HD1       PRO  53  16.885  -1.313  -0.128
  364    H    ASP  54           H        ASP  54  13.917   0.502  -4.464
  365    HA   ASP  54           HA       ASP  54  12.283   2.583  -3.096
  366   1HB   ASP  54          HB2       ASP  54  12.475   1.682  -5.978
  367   2HB   ASP  54          HB1       ASP  54  11.205   2.764  -5.407
  368    H    ASP  55           H        ASP  55   9.883   2.351  -3.304
  369    HA   ASP  55           HA       ASP  55   9.093  -0.529  -3.129
  370   1HB   ASP  55          HB2       ASP  55   7.646   1.825  -1.887
  371   2HB   ASP  55          HB1       ASP  55   7.404   0.111  -1.546
  372    H    ARG  56           H        ARG  56   8.274  -0.988  -5.144
  373    HA   ARG  56           HA       ARG  56   6.528   0.999  -6.496
  374   1HB   ARG  56          HB2       ARG  56   8.479  -0.369  -7.586
  375   2HB   ARG  56          HB1       ARG  56   7.287  -1.668  -7.643
  376   1HG   ARG  56          HG2       ARG  56   6.426  -0.737  -9.489
  377   2HG   ARG  56          HG1       ARG  56   5.960   0.665  -8.525
  378   1HD   ARG  56          HD2       ARG  56   7.319   1.556 -10.254
  379   2HD   ARG  56          HD1       ARG  56   8.380   1.478  -8.846
  380    HE   ARG  56           HE       ARG  56   8.470  -0.886 -10.592
  381   1HH1  ARG  56          1HH2      ARG  56  10.705   0.040  -8.799
  382   2HH1  ARG  56          2HH2      ARG  56  11.821   0.712  -9.939
  383   1HH2  ARG  56          1HH1      ARG  56   9.488   0.924 -12.496
  384   2HH2  ARG  56          2HH1      ARG  56  11.131   1.214 -12.033
  385    H    CYS  57           H        CYS  57   4.360   0.767  -6.526
  386    HA   CYS  57           HA       CYS  57   3.129  -1.496  -5.143
  387   1HB   CYS  57          HB2       CYS  57   2.106   0.995  -6.492
  388   2HB   CYS  57          HB1       CYS  57   0.989  -0.303  -6.071
  389    H    THR  58           H        THR  58   1.488  -2.865  -6.221
  390    HA   THR  58           HA       THR  58   2.404  -3.624  -8.927
  391    HB   THR  58           HB       THR  58   1.521  -5.725  -8.504
  392    HG1  THR  58           HG1      THR  58  -0.260  -4.573  -6.627
  393   1HG2  THR  58          1HG2      THR  58   3.098  -4.833  -6.607
  394   2HG2  THR  58          2HG2      THR  58   2.249  -6.363  -6.379
  395   3HG2  THR  58          3HG2      THR  58   1.637  -4.893  -5.622
  396    H    GLY  59           H        GLY  59   0.226  -1.465  -7.793
  397   1HA   GLY  59          HA2       GLY  59  -1.370  -0.294  -9.138
  398   2HA   GLY  59          HA1       GLY  59  -1.351  -1.638 -10.279
  399    H    GLN  60           H        GLN  60  -2.140  -3.801  -9.060
  400    HA   GLN  60           HA       GLN  60  -4.903  -3.317  -8.364
  401   1HB   GLN  60          HB2       GLN  60  -3.291  -5.856  -7.957
  402   2HB   GLN  60          HB1       GLN  60  -5.047  -5.724  -8.055
  403   1HG   GLN  60          HG2       GLN  60  -4.971  -5.114 -10.362
  404   2HG   GLN  60          HG1       GLN  60  -3.229  -4.843 -10.305
  405   1HE2  GLN  60          1HE2      GLN  60  -4.818  -7.622  -8.754
  406   2HE2  GLN  60          2HE2      GLN  60  -4.144  -8.795  -9.778
  407    H    SER  61           H        SER  61  -2.043  -3.098  -6.580
  408    HA   SER  61           HA       SER  61  -3.372  -3.811  -4.018
  409   1HB   SER  61          HB2       SER  61  -1.052  -4.621  -4.455
  410   2HB   SER  61          HB1       SER  61  -0.512  -2.946  -4.541
  411    HG   SER  61           HG       SER  61  -0.955  -4.490  -2.385
  412    H    ALA  62           H        ALA  62  -4.250  -2.233  -2.775
  413    HA   ALA  62           HA       ALA  62  -3.963   0.572  -3.570
  414   1HB   ALA  62          HB1       ALA  62  -6.104   0.340  -2.789
  415   2HB   ALA  62          HB2       ALA  62  -5.342   0.675  -1.234
  416   3HB   ALA  62          HB3       ALA  62  -5.673  -0.989  -1.713
  417    H    ASP  63           H        ASP  63  -2.873  -1.531  -0.948
  418    HA   ASP  63           HA       ASP  63  -1.511   0.753   0.359
  419   1HB   ASP  63          HB2       ASP  63  -1.284  -2.101   1.275
  420   2HB   ASP  63          HB1       ASP  63  -1.262  -0.620   2.234
  421    H    CYS  64           H        CYS  64   0.808  -0.214   1.276
  422    HA   CYS  64           HA       CYS  64   2.226  -1.331  -1.100
  423   1HB   CYS  64          HB2       CYS  64   2.682   1.037  -1.111
  424   2HB   CYS  64          HB1       CYS  64   3.064   1.025   0.609
  425    HA   PRO  65           HA       PRO  65   3.658  -4.062   2.046
  426   1HB   PRO  65          HB2       PRO  65   5.026  -5.658   0.293
  427   2HB   PRO  65          HB1       PRO  65   3.283  -5.768   0.543
  428   1HG   PRO  65          HG2       PRO  65   4.802  -4.659  -1.759
  429   2HG   PRO  65          HG1       PRO  65   3.145  -5.285  -1.705
  430   1HD   PRO  65          HD2       PRO  65   3.909  -2.554  -1.729
  431   2HD   PRO  65          HD1       PRO  65   2.284  -3.193  -1.403
  432    H    ARG  66           H        ARG  66   6.179  -5.333   1.736
  433    HA   ARG  66           HA       ARG  66   8.072  -3.019   1.658
  434   1HB   ARG  66          HB2       ARG  66   9.271  -4.030   3.568
  435   2HB   ARG  66          HB1       ARG  66   7.605  -3.643   3.998
  436   1HG   ARG  66          HG2       ARG  66   6.920  -5.925   3.795
  437   2HG   ARG  66          HG1       ARG  66   8.435  -6.380   3.013
  438   1HD   ARG  66          HD2       ARG  66   8.410  -7.066   5.391
  439   2HD   ARG  66          HD1       ARG  66   9.671  -5.872   5.078
  440    HE   ARG  66           HE       ARG  66   8.571  -4.496   6.626
  441   1HH1  ARG  66          1HH1      ARG  66   6.870  -6.855   7.507
  442   2HH1  ARG  66          2HH1      ARG  66   5.274  -6.206   7.334
  443   1HH2  ARG  66          1HH2      ARG  66   6.287  -3.547   5.349
  444   2HH2  ARG  66          2HH2      ARG  66   4.943  -4.331   6.112
  445    H    TYR  67           H        TYR  67  10.392  -3.805   1.415
  446    HA   TYR  67           HA       TYR  67  10.441  -5.931  -0.647
  447   1HB   TYR  67          HB2       TYR  67  11.570  -3.590  -0.835
  448   2HB   TYR  67          HB1       TYR  67  12.813  -4.281   0.207
  449    HD1  TYR  67           HD1      TYR  67  10.771  -5.877  -2.492
  450    HD2  TYR  67           HD2      TYR  67  14.677  -4.667  -1.174
  451    HE1  TYR  67           HE1      TYR  67  11.784  -7.012  -4.451
  452    HE2  TYR  67           HE2      TYR  67  15.689  -5.800  -3.134
  453    HH   TYR  67           HH       TYR  67  14.060  -8.020  -5.015
  454    H    HIS  68           H        HIS  68  10.069  -6.689   2.137
  455    HA   HIS  68           HA       HIS  68  12.276  -8.614   2.334
  456   1HB   HIS  68          HB2       HIS  68  12.561  -6.218   3.710
  457   2HB   HIS  68          HB1       HIS  68  11.896  -7.308   4.926
  458    HD1  HIS  68           HD1      HIS  68  14.948  -6.251   4.713
  459    HD2  HIS  68           HD2      HIS  68  13.538 -10.029   3.658
  460    HE1  HIS  68           HE1      HIS  68  16.941  -7.811   4.806
  Start of MODEL   10
    1   1H    GLY   1          HT1       GLY   1 -12.352 -14.367   9.694
    2   2H    GLY   1          HT2       GLY   1 -13.675 -15.355  10.096
    3   3H    GLY   1          HT3       GLY   1 -13.602 -13.755  10.664
    4   1HA   GLY   1          HA1       GLY   1 -13.933 -14.624   7.845
    5   2HA   GLY   1          HA2       GLY   1 -15.151 -13.847   8.858
    6    H    LYS   2           H        LYS   2 -14.759 -12.472   6.656
    7    HA   LYS   2           HA       LYS   2 -12.685 -10.404   7.242
    8   1HB   LYS   2          HB2       LYS   2 -12.455 -11.342   5.022
    9   2HB   LYS   2          HB1       LYS   2 -14.171 -11.105   4.694
   10   1HG   LYS   2          HG2       LYS   2 -13.808  -8.629   5.007
   11   2HG   LYS   2          HG1       LYS   2 -12.076  -8.954   5.097
   12   1HD   LYS   2          HD2       LYS   2 -13.668 -10.014   2.777
   13   2HD   LYS   2          HD1       LYS   2 -13.147  -8.329   2.782
   14   1HE   LYS   2          HE2       LYS   2 -10.860  -9.673   3.567
   15   2HE   LYS   2          HE1       LYS   2 -11.566 -10.766   2.377
   16   1HZ   LYS   2          HZ1       LYS   2 -11.527  -9.126   0.740
   17   2HZ   LYS   2          HZ2       LYS   2 -10.032  -8.948   1.529
   18   3HZ   LYS   2          HZ3       LYS   2 -11.303  -7.869   1.857
   19    H    GLU   3           H        GLU   3 -13.928  -9.249   8.811
   20    HA   GLU   3           HA       GLU   3 -16.496  -8.086   7.842
   21   1HB   GLU   3          HB2       GLU   3 -15.297  -8.532  10.567
   22   2HB   GLU   3          HB1       GLU   3 -16.564  -7.325  10.344
   23   1HG   GLU   3          HG2       GLU   3 -17.891  -9.180   9.154
   24   2HG   GLU   3          HG1       GLU   3 -16.716 -10.299   9.844
   25    H    CYS   4           H        CYS   4 -13.692  -7.213   7.094
   26    HA   CYS   4           HA       CYS   4 -14.186  -4.370   7.299
   27   1HB   CYS   4          HB2       CYS   4 -13.290  -4.703   9.550
   28   2HB   CYS   4          HB1       CYS   4 -11.881  -5.533   8.888
   29    H    ASP   5           H        ASP   5 -13.271  -3.437   5.538
   30    HA   ASP   5           HA       ASP   5 -11.179  -4.996   4.079
   31   1HB   ASP   5          HB2       ASP   5 -13.567  -4.218   3.101
   32   2HB   ASP   5          HB1       ASP   5 -12.633  -2.764   2.742
   33    H    CYS   6           H        CYS   6 -11.953  -1.963   5.598
   34    HA   CYS   6           HA       CYS   6  -9.335  -0.848   4.684
   35   1HB   CYS   6          HB2       CYS   6 -10.234   1.348   5.117
   36   2HB   CYS   6          HB1       CYS   6 -11.442   0.469   4.181
   37    H    SER   7           H        SER   7  -7.763  -0.703   6.207
   38    HA   SER   7           HA       SER   7  -8.147  -1.712   8.861
   39   1HB   SER   7          HB2       SER   7  -5.974  -1.431   7.375
   40   2HB   SER   7          HB1       SER   7  -5.861   0.113   8.214
   41    HG   SER   7           HG       SER   7  -4.964  -2.053   9.133
   42    H    SER   8           H        SER   8  -8.587   1.453   7.507
   43    HA   SER   8           HA       SER   8  -8.562   2.664  10.221
   44   1HB   SER   8          HB2       SER   8  -9.051   4.170   7.661
   45   2HB   SER   8          HB1       SER   8  -8.385   4.765   9.179
   46    HG   SER   8           HG       SER   8  -7.166   3.472   7.076
   47    HA   PRO   9           HA       PRO   9 -13.011   2.308  10.111
   48   1HB   PRO   9          HB2       PRO   9 -13.406   3.370  12.615
   49   2HB   PRO   9          HB1       PRO   9 -12.897   1.696  12.333
   50   1HG   PRO   9          HG2       PRO   9 -11.285   4.009  13.304
   51   2HG   PRO   9          HG1       PRO   9 -11.046   2.275  13.587
   52   1HD   PRO   9          HD2       PRO   9  -9.609   3.872  11.739
   53   2HD   PRO   9          HD1       PRO   9  -9.613   2.096  11.807
   54    H    GLU  10           H        GLU  10 -11.184   5.226  10.838
   55    HA   GLU  10           HA       GLU  10 -13.546   6.952  10.389
   56   1HB   GLU  10          HB2       GLU  10 -11.947   8.804  10.868
   57   2HB   GLU  10          HB1       GLU  10 -11.983   7.605  12.162
   58   1HG   GLU  10          HG2       GLU  10  -9.952   6.569  11.345
   59   2HG   GLU  10          HG1       GLU  10  -9.958   7.592   9.907
   60    H    ASN  11           H        ASN  11 -12.860   5.381   8.168
   61    HA   ASN  11           HA       ASN  11 -11.612   7.385   6.339
   62   1HB   ASN  11          HB2       ASN  11 -10.410   5.185   6.606
   63   2HB   ASN  11          HB1       ASN  11 -11.828   4.391   5.924
   64   1HD2  ASN  11          1HD2      ASN  11  -8.874   5.117   4.938
   65   2HD2  ASN  11          2HD2      ASN  11  -9.157   5.641   3.349
   66    HA   PRO  12           HA       PRO  12 -15.668   7.529   4.547
   67   1HB   PRO  12          HB2       PRO  12 -14.993   9.135   2.418
   68   2HB   PRO  12          HB1       PRO  12 -15.244   9.742   4.063
   69   1HG   PRO  12          HG2       PRO  12 -12.686   9.339   2.582
   70   2HG   PRO  12          HG1       PRO  12 -13.060  10.478   3.886
   71   1HD   PRO  12          HD2       PRO  12 -11.634   8.056   4.173
   72   2HD   PRO  12          HD1       PRO  12 -12.324   9.019   5.496
   73    H    CYS  13           H        CYS  13 -12.810   6.337   2.995
   74    HA   CYS  13           HA       CYS  13 -14.007   5.511   0.498
   75   1HB   CYS  13          HB2       CYS  13 -11.543   4.588   1.997
   76   2HB   CYS  13          HB1       CYS  13 -11.995   3.964   0.414
   77    H    CYS  14           H        CYS  14 -14.065   4.258   3.730
   78    HA   CYS  14           HA       CYS  14 -15.516   1.860   2.705
   79   1HB   CYS  14          HB2       CYS  14 -14.474   0.466   4.386
   80   2HB   CYS  14          HB1       CYS  14 -13.195   1.286   3.488
   81    H    ASP  15           H        ASP  15 -16.935   0.877   4.413
   82    HA   ASP  15           HA       ASP  15 -18.297   3.047   5.900
   83   1HB   ASP  15          HB2       ASP  15 -19.513   1.357   4.397
   84   2HB   ASP  15          HB1       ASP  15 -19.188   0.168   5.659
   85    H    ALA  16           H        ALA  16 -17.945   3.292   8.049
   86    HA   ALA  16           HA       ALA  16 -16.202   1.554   9.526
   87   1HB   ALA  16          HB1       ALA  16 -16.456   3.055  11.278
   88   2HB   ALA  16          HB2       ALA  16 -18.163   3.330  10.932
   89   3HB   ALA  16          HB3       ALA  16 -16.927   4.075   9.920
   90    H    ALA  17           H        ALA  17 -19.718   1.754   9.223
   91    HA   ALA  17           HA       ALA  17 -20.540   0.177  11.387
   92   1HB   ALA  17          HB1       ALA  17 -21.569   0.503   8.583
   93   2HB   ALA  17          HB2       ALA  17 -22.311   0.998  10.105
   94   3HB   ALA  17          HB3       ALA  17 -22.302  -0.703   9.640
   95    H    THR  18           H        THR  18 -19.488  -0.964   8.164
   96    HA   THR  18           HA       THR  18 -19.127  -3.673   9.376
   97    HB   THR  18           HB       THR  18 -20.690  -3.700   7.508
   98    HG1  THR  18           HG1      THR  18 -19.368  -5.011   6.041
   99   1HG2  THR  18          1HG2      THR  18 -18.831  -1.753   6.453
  100   2HG2  THR  18          2HG2      THR  18 -20.467  -2.130   5.914
  101   3HG2  THR  18          3HG2      THR  18 -19.098  -3.046   5.283
  102    H    CYS  19           H        CYS  19 -17.376  -1.005   8.775
  103    HA   CYS  19           HA       CYS  19 -15.099  -0.600   8.370
  104   1HB   CYS  19          HB2       CYS  19 -15.146  -2.467  10.214
  105   2HB   CYS  19          HB1       CYS  19 -14.585  -3.514   8.911
  106    H    LYS  20           H        LYS  20 -16.896  -1.833   6.191
  107    HA   LYS  20           HA       LYS  20 -14.666  -2.878   4.487
  108   1HB   LYS  20          HB2       LYS  20 -17.632  -3.435   4.201
  109   2HB   LYS  20          HB1       LYS  20 -16.338  -4.132   3.226
  110   1HG   LYS  20          HG2       LYS  20 -15.700  -4.549   5.986
  111   2HG   LYS  20          HG1       LYS  20 -17.359  -5.081   5.715
  112   1HD   LYS  20          HD2       LYS  20 -15.359  -5.858   3.653
  113   2HD   LYS  20          HD1       LYS  20 -15.240  -6.665   5.217
  114   1HE   LYS  20          HE2       LYS  20 -16.723  -8.025   3.961
  115   2HE   LYS  20          HE1       LYS  20 -17.775  -7.069   5.005
  116   1HZ   LYS  20          HZ1       LYS  20 -17.162  -6.600   2.143
  117   2HZ   LYS  20          HZ2       LYS  20 -17.954  -5.461   3.123
  118   3HZ   LYS  20          HZ3       LYS  20 -18.667  -6.975   2.831
  119    H    LEU  21           H        LEU  21 -14.798  -2.277   2.190
  120    HA   LEU  21           HA       LEU  21 -15.017   0.445   1.694
  121   1HB   LEU  21          HB2       LEU  21 -15.259  -1.960  -0.082
  122   2HB   LEU  21          HB1       LEU  21 -15.537  -0.352  -0.751
  123    HG   LEU  21           HG       LEU  21 -13.169  -0.426   0.947
  124   1HD1  LEU  21          1HD1      LEU  21 -13.593  -2.709  -0.706
  125   2HD1  LEU  21          2HD1      LEU  21 -12.144  -2.281   0.204
  126   3HD1  LEU  21          3HD1      LEU  21 -12.337  -1.730  -1.461
  127   1HD2  LEU  21          1HD2      LEU  21 -13.929   0.426  -1.837
  128   2HD2  LEU  21          2HD2      LEU  21 -12.233   0.402  -1.354
  129   3HD2  LEU  21          3HD2      LEU  21 -13.382   1.419  -0.485
  130    H    ARG  22           H        ARG  22 -16.689   1.857   1.278
  131    HA   ARG  22           HA       ARG  22 -19.417   0.779   1.622
  132   1HB   ARG  22          HB2       ARG  22 -19.347   2.607   2.986
  133   2HB   ARG  22          HB1       ARG  22 -18.110   3.413   2.033
  134   1HG   ARG  22          HG2       ARG  22 -19.724   4.193   0.438
  135   2HG   ARG  22          HG1       ARG  22 -20.975   3.132   1.086
  136   1HD   ARG  22          HD2       ARG  22 -19.705   5.112   2.935
  137   2HD   ARG  22          HD1       ARG  22 -20.883   5.702   1.763
  138    HE   ARG  22           HE       ARG  22 -22.412   3.863   2.772
  139   1HH1  ARG  22          1HH2      ARG  22 -19.662   4.098   4.621
  140   2HH1  ARG  22          2HH2      ARG  22 -20.462   4.503   6.103
  141   1HH2  ARG  22          1HH1      ARG  22 -23.554   4.991   4.611
  142   2HH2  ARG  22          2HH1      ARG  22 -22.666   5.010   6.097
  143    HA   PRO  23           HA       PRO  23 -20.020   2.994  -2.542
  144   1HB   PRO  23          HB2       PRO  23 -17.867   4.256  -3.696
  145   2HB   PRO  23          HB1       PRO  23 -18.993   5.055  -2.585
  146   1HG   PRO  23          HG2       PRO  23 -16.207   4.117  -2.080
  147   2HG   PRO  23          HG1       PRO  23 -17.109   5.425  -1.299
  148   1HD   PRO  23          HD2       PRO  23 -16.665   2.857  -0.217
  149   2HD   PRO  23          HD1       PRO  23 -17.846   4.045   0.369
  150    H    GLY  24           H        GLY  24 -18.505   2.976  -4.922
  151   1HA   GLY  24          HA2       GLY  24 -17.969   0.084  -5.175
  152   2HA   GLY  24          HA1       GLY  24 -18.108   1.230  -6.508
  153    H    ALA  25           H        ALA  25 -16.090   1.878  -3.714
  154    HA   ALA  25           HA       ALA  25 -13.768   2.295  -5.388
  155   1HB   ALA  25          HB1       ALA  25 -14.157   2.183  -2.389
  156   2HB   ALA  25          HB2       ALA  25 -13.954   3.615  -3.395
  157   3HB   ALA  25          HB3       ALA  25 -12.597   2.518  -3.140
  158    H    GLN  26           H        GLN  26 -11.692   1.098  -5.057
  159    HA   GLN  26           HA       GLN  26 -12.245  -1.813  -4.812
  160   1HB   GLN  26          HB2       GLN  26 -10.604  -0.215  -6.536
  161   2HB   GLN  26          HB1       GLN  26  -9.564  -1.318  -5.635
  162   1HG   GLN  26          HG2       GLN  26 -10.162  -2.741  -7.339
  163   2HG   GLN  26          HG1       GLN  26 -11.529  -3.035  -6.264
  164   1HE2  GLN  26          1HE2      GLN  26 -10.533  -1.046  -9.083
  165   2HE2  GLN  26          2HE2      GLN  26 -12.108  -0.828  -9.679
  166    H    CYS  27           H        CYS  27 -10.858   0.761  -3.056
  167    HA   CYS  27           HA       CYS  27  -9.906  -1.122  -1.012
  168   1HB   CYS  27          HB2       CYS  27  -7.644  -0.052  -0.902
  169   2HB   CYS  27          HB1       CYS  27  -7.907  -0.977  -2.379
  170    H    GLY  28           H        GLY  28  -9.645  -0.098   1.046
  171   1HA   GLY  28          HA2       GLY  28 -11.064   2.483   1.247
  172   2HA   GLY  28          HA1       GLY  28 -10.679   1.415   2.592
  173    H    GLU  29           H        GLU  29  -7.893   1.130   1.475
  174    HA   GLU  29           HA       GLU  29  -6.686   3.755   1.546
  175   1HB   GLU  29          HB2       GLU  29  -5.608   3.568   3.721
  176   2HB   GLU  29          HB1       GLU  29  -7.351   3.482   3.932
  177   1HG   GLU  29          HG2       GLU  29  -7.130   1.483   4.930
  178   2HG   GLU  29          HG1       GLU  29  -6.407   0.836   3.456
  179    H    GLY  30           H        GLY  30  -4.138   3.095   2.414
  180   1HA   GLY  30          HA2       GLY  30  -2.742   0.901   2.063
  181   2HA   GLY  30          HA1       GLY  30  -3.395   1.002   0.429
  182    H    LEU  31           H        LEU  31  -0.713   1.060   0.558
  183    HA   LEU  31           HA       LEU  31   0.345   3.760   0.859
  184   1HB   LEU  31          HB2       LEU  31   1.408   1.093   0.090
  185   2HB   LEU  31          HB1       LEU  31   2.253   2.486  -0.580
  186    HG   LEU  31           HG       LEU  31   2.002   3.336   1.959
  187   1HD1  LEU  31          1HD1      LEU  31   0.891   0.958   2.335
  188   2HD1  LEU  31          2HD1      LEU  31   1.971   1.644   3.549
  189   3HD1  LEU  31          3HD1      LEU  31   2.572   0.430   2.420
  190   1HD2  LEU  31          1HD2      LEU  31   4.302   2.103   2.288
  191   2HD2  LEU  31          2HD2      LEU  31   4.150   3.333   1.033
  192   3HD2  LEU  31          3HD2      LEU  31   4.071   1.623   0.606
  193    H    CYS  32           H        CYS  32  -0.841   1.765  -1.806
  194    HA   CYS  32           HA       CYS  32  -0.504   4.150  -3.572
  195   1HB   CYS  32          HB2       CYS  32  -0.267   1.259  -4.443
  196   2HB   CYS  32          HB1       CYS  32  -0.005   2.688  -5.441
  197    H    CYS  33           H        CYS  33  -2.791   4.402  -2.604
  198    HA   CYS  33           HA       CYS  33  -4.692   3.138  -4.516
  199   1HB   CYS  33          HB2       CYS  33  -4.648   2.774  -1.630
  200   2HB   CYS  33          HB1       CYS  33  -6.161   3.515  -2.149
  201    H    GLU  34           H        GLU  34  -5.658   4.776  -5.611
  202    HA   GLU  34           HA       GLU  34  -5.836   7.437  -4.273
  203   1HB   GLU  34          HB2       GLU  34  -4.478   7.490  -6.284
  204   2HB   GLU  34          HB1       GLU  34  -5.741   6.675  -7.205
  205   1HG   GLU  34          HG2       GLU  34  -7.233   8.692  -6.462
  206   2HG   GLU  34          HG1       GLU  34  -5.692   9.494  -6.155
  207    H    GLN  35           H        GLN  35  -7.814   8.317  -3.955
  208    HA   GLN  35           HA       GLN  35 -10.120   8.527  -3.882
  209   1HB   GLN  35          HB2       GLN  35 -11.213   8.596  -5.914
  210   2HB   GLN  35          HB1       GLN  35  -9.543   8.672  -6.459
  211   1HG   GLN  35          HG2       GLN  35  -9.865   6.810  -7.675
  212   2HG   GLN  35          HG1       GLN  35 -10.249   5.904  -6.217
  213   1HE2  GLN  35          1HE2      GLN  35 -12.659   6.733  -5.376
  214   2HE2  GLN  35          2HE2      GLN  35 -13.838   6.636  -6.593
  215    H    CYS  36           H        CYS  36  -8.910   6.149  -2.746
  216    HA   CYS  36           HA       CYS  36  -9.745   4.223  -1.673
  217   1HB   CYS  36          HB2       CYS  36 -12.344   4.528  -3.157
  218   2HB   CYS  36          HB1       CYS  36 -12.064   3.904  -1.535
  219    H    LYS  37           H        LYS  37  -9.165   4.620  -4.871
  220    HA   LYS  37           HA       LYS  37  -9.954   1.839  -5.589
  221   1HB   LYS  37          HB2       LYS  37  -9.571   4.356  -7.116
  222   2HB   LYS  37          HB1       LYS  37  -9.040   2.874  -7.915
  223   1HG   LYS  37          HG2       LYS  37 -11.178   1.972  -7.969
  224   2HG   LYS  37          HG1       LYS  37 -11.720   2.905  -6.573
  225   1HD   LYS  37          HD2       LYS  37 -12.704   4.282  -8.074
  226   2HD   LYS  37          HD1       LYS  37 -11.075   4.872  -8.410
  227   1HE   LYS  37          HE2       LYS  37 -11.688   2.374  -9.812
  228   2HE   LYS  37          HE1       LYS  37 -12.767   3.694 -10.261
  229   1HZ   LYS  37          HZ1       LYS  37  -9.914   3.395 -10.708
  230   2HZ   LYS  37          HZ2       LYS  37 -10.427   4.951 -10.256
  231   3HZ   LYS  37          HZ3       LYS  37 -11.080   4.206 -11.636
  232    H    PHE  38           H        PHE  38  -8.316   0.677  -6.994
  233    HA   PHE  38           HA       PHE  38  -5.766   0.612  -5.615
  234   1HB   PHE  38          HB2       PHE  38  -6.830  -0.794  -8.076
  235   2HB   PHE  38          HB1       PHE  38  -5.203  -1.068  -7.452
  236    HD1  PHE  38           HD1      PHE  38  -5.746  -0.864  -4.501
  237    HD2  PHE  38           HD2      PHE  38  -7.905  -2.857  -7.638
  238    HE1  PHE  38           HE1      PHE  38  -6.663  -2.472  -2.851
  239    HE2  PHE  38           HE2      PHE  38  -8.819  -4.464  -5.987
  240    HZ   PHE  38           HZ       PHE  38  -8.199  -4.271  -3.594
  241    H    SER  39           H        SER  39  -4.076   1.937  -6.057
  242    HA   SER  39           HA       SER  39  -4.034   3.906  -8.075
  243   1HB   SER  39          HB2       SER  39  -1.704   4.200  -7.543
  244   2HB   SER  39          HB1       SER  39  -2.511   3.744  -6.045
  245    HG   SER  39           HG       SER  39  -1.919   1.509  -6.749
  246    H    ARG  40           H        ARG  40  -1.719   3.701  -9.527
  247    HA   ARG  40           HA       ARG  40  -2.240   1.321 -11.263
  248   1HB   ARG  40          HB2       ARG  40  -1.545   4.178 -11.888
  249   2HB   ARG  40          HB1       ARG  40  -1.066   2.903 -13.008
  250   1HG   ARG  40          HG2       ARG  40  -3.265   2.330 -13.512
  251   2HG   ARG  40          HG1       ARG  40  -3.886   2.959 -11.987
  252   1HD   ARG  40          HD2       ARG  40  -3.755   5.202 -12.722
  253   2HD   ARG  40          HD1       ARG  40  -2.663   4.794 -14.045
  254    HE   ARG  40           HE       ARG  40  -5.296   3.528 -14.249
  255   1HH1  ARG  40          1HH1      ARG  40  -3.479   4.346 -16.537
  256   2HH1  ARG  40          2HH1      ARG  40  -4.338   5.700 -17.190
  257   1HH2  ARG  40          1HH2      ARG  40  -6.351   6.108 -14.399
  258   2HH2  ARG  40          2HH2      ARG  40  -5.966   6.696 -15.981
  259    H    ALA  41           H        ALA  41  -0.430   0.130 -11.936
  260    HA   ALA  41           HA       ALA  41   1.793  -0.119 -10.290
  261   1HB   ALA  41          HB1       ALA  41   1.475  -1.831 -11.892
  262   2HB   ALA  41          HB2       ALA  41   2.953  -1.028 -12.420
  263   3HB   ALA  41          HB3       ALA  41   1.425  -0.686 -13.232
  264    H    GLY  42           H        GLY  42   4.159   0.378 -11.046
  265   1HA   GLY  42          HA2       GLY  42   5.770   2.013 -11.612
  266   2HA   GLY  42          HA1       GLY  42   4.544   2.784 -12.612
  267    H    LYS  43           H        LYS  43   3.854   2.053  -9.270
  268    HA   LYS  43           HA       LYS  43   3.875   5.002  -8.737
  269   1HB   LYS  43          HB2       LYS  43   1.659   4.113  -8.482
  270   2HB   LYS  43          HB1       LYS  43   2.251   2.748  -7.537
  271   1HG   LYS  43          HG2       LYS  43   1.245   4.475  -6.079
  272   2HG   LYS  43          HG1       LYS  43   2.967   4.282  -5.749
  273   1HD   LYS  43          HD2       LYS  43   2.198   6.686  -5.923
  274   2HD   LYS  43          HD1       LYS  43   3.510   6.254  -7.021
  275   1HE   LYS  43          HE2       LYS  43   2.214   6.511  -8.875
  276   2HE   LYS  43          HE1       LYS  43   0.798   5.800  -8.100
  277   1HZ   LYS  43          HZ1       LYS  43   1.068   8.406  -8.636
  278   2HZ   LYS  43          HZ2       LYS  43   1.629   8.359  -7.034
  279   3HZ   LYS  43          HZ3       LYS  43   0.072   7.791  -7.408
  280    H    ILE  44           H        ILE  44   5.463   5.696  -7.413
  281    HA   ILE  44           HA       ILE  44   7.206   3.843  -6.051
  282    HB   ILE  44           HB       ILE  44   8.125   5.930  -6.836
  283   1HG1  ILE  44          2HG1      ILE  44   9.025   6.869  -4.675
  284   2HG1  ILE  44          1HG1      ILE  44   7.888   5.833  -3.813
  285   1HG2  ILE  44          1HG2      ILE  44   5.648   6.959  -5.817
  286   2HG2  ILE  44          2HG2      ILE  44   6.850   7.784  -6.811
  287   3HG2  ILE  44          3HG2      ILE  44   6.978   7.830  -5.054
  288   1HD1  ILE  44          1HD1      ILE  44   9.651   4.571  -5.871
  289   2HD1  ILE  44          2HD1      ILE  44   9.015   3.893  -4.373
  290   3HD1  ILE  44          3HD1      ILE  44  10.370   5.020  -4.324
  291    H    CYS  45           H        CYS  45   6.523   2.761  -4.257
  292    HA   CYS  45           HA       CYS  45   4.609   4.075  -2.408
  293   1HB   CYS  45          HB2       CYS  45   4.732   1.816  -1.223
  294   2HB   CYS  45          HB1       CYS  45   4.043   1.804  -2.842
  295    H    ARG  46           H        ARG  46   7.960   3.119  -2.636
  296    HA   ARG  46           HA       ARG  46   8.530   4.663  -0.185
  297   1HB   ARG  46          HB2       ARG  46   8.460   1.804  -0.192
  298   2HB   ARG  46          HB1       ARG  46  10.146   2.307  -0.049
  299   1HG   ARG  46          HG2       ARG  46   9.822   3.298   1.993
  300   2HG   ARG  46          HG1       ARG  46   8.177   3.800   1.604
  301   1HD   ARG  46          HD2       ARG  46   7.771   1.157   1.626
  302   2HD   ARG  46          HD1       ARG  46   9.153   1.211   2.720
  303    HE   ARG  46           HE       ARG  46   7.272   3.203   3.524
  304   1HH1  ARG  46          1HH2      ARG  46   6.559   0.029   2.775
  305   2HH1  ARG  46          2HH2      ARG  46   6.046  -0.426   4.365
  306   1HH2  ARG  46          1HH1      ARG  46   7.106   2.529   5.838
  307   2HH2  ARG  46          2HH1      ARG  46   6.353   0.991   6.101
  308    H    ILE  47           H        ILE  47  10.644   5.534  -0.223
  309    HA   ILE  47           HA       ILE  47  12.206   4.903  -2.694
  310    HB   ILE  47           HB       ILE  47  11.045   7.098  -2.828
  311   1HG1  ILE  47          2HG1      ILE  47  13.823   8.000  -2.521
  312   2HG1  ILE  47          1HG1      ILE  47  13.675   6.494  -3.430
  313   1HG2  ILE  47          1HG2      ILE  47  11.017   8.533  -1.095
  314   2HG2  ILE  47          2HG2      ILE  47  12.774   8.482  -0.950
  315   3HG2  ILE  47          3HG2      ILE  47  11.785   7.273  -0.129
  316   1HD1  ILE  47          1HD1      ILE  47  12.334   9.142  -4.017
  317   2HD1  ILE  47          2HD1      ILE  47  11.853   7.634  -4.792
  318   3HD1  ILE  47          3HD1      ILE  47  13.481   8.267  -5.032
  319    HA   PRO  48           HA       PRO  48  15.012   4.212   0.822
  320   1HB   PRO  48          HB2       PRO  48  16.177   1.997  -0.314
  321   2HB   PRO  48          HB1       PRO  48  14.698   1.931   0.660
  322   1HG   PRO  48          HG2       PRO  48  15.012   1.682  -2.294
  323   2HG   PRO  48          HG1       PRO  48  13.737   1.042  -1.244
  324   1HD   PRO  48          HD2       PRO  48  13.546   3.349  -2.885
  325   2HD   PRO  48          HD1       PRO  48  12.402   2.867  -1.614
  326    H    ARG  49           H        ARG  49  16.207   6.136   0.197
  327    HA   ARG  49           HA       ARG  49  17.850   6.223  -2.175
  328   1HB   ARG  49          HB2       ARG  49  17.480   7.899   0.259
  329   2HB   ARG  49          HB1       ARG  49  19.007   8.076  -0.604
  330   1HG   ARG  49          HG2       ARG  49  16.725   7.984  -2.423
  331   2HG   ARG  49          HG1       ARG  49  16.607   9.317  -1.274
  332   1HD   ARG  49          HD2       ARG  49  17.956  10.394  -2.765
  333   2HD   ARG  49          HD1       ARG  49  19.237   9.483  -1.966
  334    HE   ARG  49           HE       ARG  49  18.899   7.752  -3.807
  335   1HH1  ARG  49          1HH1      ARG  49  16.968  10.450  -4.357
  336   2HH1  ARG  49          2HH1      ARG  49  17.496  10.712  -5.986
  337   1HH2  ARG  49          1HH2      ARG  49  20.010   8.326  -5.834
  338   2HH2  ARG  49          2HH2      ARG  49  19.218   9.507  -6.823
  339    H    GLY  50           H        GLY  50  20.046   5.780  -2.393
  340   1HA   GLY  50          HA2       GLY  50  22.220   5.459  -1.073
  341   2HA   GLY  50          HA1       GLY  50  21.291   4.323  -0.096
  342    H    GLU  51           H        GLU  51  21.921   4.926  -3.579
  343    HA   GLU  51           HA       GLU  51  22.233   3.383  -5.326
  344   1HB   GLU  51          HB2       GLU  51  23.723   2.085  -3.032
  345   2HB   GLU  51          HB1       GLU  51  23.795   1.488  -4.690
  346   1HG   GLU  51          HG2       GLU  51  24.274   4.394  -4.344
  347   2HG   GLU  51          HG1       GLU  51  25.525   3.327  -3.706
  348    H    MET  52           H        MET  52  19.856   3.029  -3.453
  349    HA   MET  52           HA       MET  52  19.451   0.090  -3.754
  350   1HB   MET  52          HB2       MET  52  18.527   2.124  -1.854
  351   2HB   MET  52          HB1       MET  52  17.225   1.091  -2.446
  352   1HG   MET  52          HG2       MET  52  19.295  -0.699  -1.983
  353   2HG   MET  52          HG1       MET  52  19.436   0.440  -0.642
  354   1HE   MET  52          HE1       MET  52  17.449  -1.129   1.771
  355   2HE   MET  52          HE2       MET  52  18.958  -0.457   1.161
  356   3HE   MET  52          HE3       MET  52  18.585  -2.157   0.885
  357    HA   PRO  53           HA       PRO  53  16.520   0.638  -6.971
  358   1HB   PRO  53          HB2       PRO  53  14.689  -1.318  -6.358
  359   2HB   PRO  53          HB1       PRO  53  16.297  -1.655  -7.024
  360   1HG   PRO  53          HG2       PRO  53  15.307  -2.016  -4.231
  361   2HG   PRO  53          HG1       PRO  53  16.590  -2.886  -5.088
  362   1HD   PRO  53          HD2       PRO  53  16.978  -0.833  -3.186
  363   2HD   PRO  53          HD1       PRO  53  18.207  -1.459  -4.305
  364    H    ASP  54           H        ASP  54  14.266   1.313  -7.443
  365    HA   ASP  54           HA       ASP  54  13.094   2.803  -5.158
  366   1HB   ASP  54          HB2       ASP  54  12.444   2.925  -8.120
  367   2HB   ASP  54          HB1       ASP  54  11.809   4.004  -6.877
  368    H    ASP  55           H        ASP  55  11.323   2.022  -4.140
  369    HA   ASP  55           HA       ASP  55  10.065  -0.440  -4.929
  370   1HB   ASP  55          HB2       ASP  55  10.180   0.953  -2.612
  371   2HB   ASP  55          HB1       ASP  55   8.576   1.429  -3.163
  372    H    ARG  56           H        ARG  56   8.247  -0.772  -6.190
  373    HA   ARG  56           HA       ARG  56   6.682   1.617  -7.071
  374   1HB   ARG  56          HB2       ARG  56   8.548   0.745  -8.693
  375   2HB   ARG  56          HB1       ARG  56   7.404  -0.561  -9.007
  376   1HG   ARG  56          HG2       ARG  56   6.201   0.777 -10.339
  377   2HG   ARG  56          HG1       ARG  56   5.990   1.934  -9.026
  378   1HD   ARG  56          HD2       ARG  56   7.098   3.103 -10.814
  379   2HD   ARG  56          HD1       ARG  56   8.302   2.816  -9.559
  380    HE   ARG  56           HE       ARG  56   8.227   1.536 -12.212
  381   1HH1  ARG  56          1HH1      ARG  56  10.216   2.601  -9.790
  382   2HH1  ARG  56          2HH1      ARG  56  11.287   1.240  -9.798
  383   1HH2  ARG  56          1HH2      ARG  56   9.282  -0.661 -11.894
  384   2HH2  ARG  56          2HH2      ARG  56  10.761  -0.605 -10.994
  385    H    CYS  57           H        CYS  57   4.572   1.212  -6.601
  386    HA   CYS  57           HA       CYS  57   3.614  -1.425  -5.940
  387   1HB   CYS  57          HB2       CYS  57   2.198   1.182  -6.546
  388   2HB   CYS  57          HB1       CYS  57   1.316  -0.304  -6.199
  389    H    THR  58           H        THR  58   2.105  -2.704  -7.169
  390    HA   THR  58           HA       THR  58   2.663  -2.636 -10.058
  391    HB   THR  58           HB       THR  58   1.655  -4.818 -10.115
  392    HG1  THR  58           HG1      THR  58   0.707  -5.514  -7.990
  393   1HG2  THR  58          1HG2      THR  58   3.166  -4.403  -7.520
  394   2HG2  THR  58          2HG2      THR  58   3.864  -4.798  -9.091
  395   3HG2  THR  58          3HG2      THR  58   2.855  -5.977  -8.252
  396    H    GLY  59           H        GLY  59   0.613  -0.915  -8.262
  397   1HA   GLY  59          HA2       GLY  59  -1.242   0.373  -9.014
  398   2HA   GLY  59          HA1       GLY  59  -1.282  -0.610 -10.481
  399    H    GLN  60           H        GLN  60  -1.566  -3.152  -9.534
  400    HA   GLN  60           HA       GLN  60  -4.342  -3.159  -8.660
  401   1HB   GLN  60          HB2       GLN  60  -2.348  -5.162  -9.568
  402   2HB   GLN  60          HB1       GLN  60  -3.595  -5.762  -8.476
  403   1HG   GLN  60          HG2       GLN  60  -4.805  -4.028 -10.425
  404   2HG   GLN  60          HG1       GLN  60  -3.838  -5.247 -11.254
  405   1HE2  GLN  60          1HE2      GLN  60  -4.120  -7.490  -9.647
  406   2HE2  GLN  60          2HE2      GLN  60  -5.753  -7.941  -9.540
  407    H    SER  61           H        SER  61  -1.352  -3.045  -7.040
  408    HA   SER  61           HA       SER  61  -2.491  -4.339  -4.609
  409   1HB   SER  61          HB2       SER  61  -0.270  -5.114  -5.161
  410   2HB   SER  61          HB1       SER  61   0.321  -3.462  -5.314
  411    HG   SER  61           HG       SER  61   0.559  -3.397  -3.231
  412    H    ALA  62           H        ALA  62  -3.080  -3.120  -2.861
  413    HA   ALA  62           HA       ALA  62  -2.981  -0.190  -3.129
  414   1HB   ALA  62          HB1       ALA  62  -5.044  -1.117  -2.280
  415   2HB   ALA  62          HB2       ALA  62  -4.258  -0.276  -0.944
  416   3HB   ALA  62          HB3       ALA  62  -4.182  -2.035  -1.043
  417    H    ASP  63           H        ASP  63  -1.667  -2.712  -0.995
  418    HA   ASP  63           HA       ASP  63  -0.124  -0.715   0.525
  419   1HB   ASP  63          HB2       ASP  63  -0.120  -3.749   0.642
  420   2HB   ASP  63          HB1       ASP  63   0.719  -2.684   1.770
  421    H    CYS  64           H        CYS  64   2.335  -1.683   0.861
  422    HA   CYS  64           HA       CYS  64   3.409  -2.172  -1.885
  423   1HB   CYS  64          HB2       CYS  64   3.804   0.158  -1.397
  424   2HB   CYS  64          HB1       CYS  64   4.425  -0.227   0.205
  425    HA   PRO  65           HA       PRO  65   5.329  -5.484   0.277
  426   1HB   PRO  65          HB2       PRO  65   6.561  -6.489  -1.950
  427   2HB   PRO  65          HB1       PRO  65   4.862  -6.770  -1.574
  428   1HG   PRO  65          HG2       PRO  65   6.083  -5.008  -3.636
  429   2HG   PRO  65          HG1       PRO  65   4.472  -5.748  -3.603
  430   1HD   PRO  65          HD2       PRO  65   5.086  -3.054  -2.987
  431   2HD   PRO  65          HD1       PRO  65   3.545  -3.881  -2.674
  432    H    ARG  66           H        ARG  66   7.690  -6.386   0.298
  433    HA   ARG  66           HA       ARG  66   9.603  -4.104  -0.007
  434   1HB   ARG  66          HB2       ARG  66  10.815  -5.027   1.942
  435   2HB   ARG  66          HB1       ARG  66   9.154  -4.607   2.364
  436   1HG   ARG  66          HG2       ARG  66   8.573  -7.052   1.823
  437   2HG   ARG  66          HG1       ARG  66  10.312  -7.351   1.857
  438   1HD   ARG  66          HD2       ARG  66   9.010  -5.895   4.140
  439   2HD   ARG  66          HD1       ARG  66   8.918  -7.654   4.058
  440    HE   ARG  66           HE       ARG  66  11.582  -6.332   3.890
  441   1HH1  ARG  66          1HH2      ARG  66  10.654  -6.390   6.691
  442   2HH1  ARG  66          2HH2      ARG  66  11.190  -7.941   7.246
  443   1HH2  ARG  66          1HH1      ARG  66  11.696  -9.201   4.054
  444   2HH2  ARG  66          2HH1      ARG  66  11.780  -9.533   5.753
  445    H    TYR  67           H        TYR  67  10.948  -4.562  -1.674
  446    HA   TYR  67           HA       TYR  67  11.374  -7.264  -2.634
  447   1HB   TYR  67          HB2       TYR  67  11.517  -4.976  -3.914
  448   2HB   TYR  67          HB1       TYR  67  13.181  -4.965  -3.330
  449    HD1  TYR  67           HD1      TYR  67  14.394  -7.371  -3.573
  450    HD2  TYR  67           HD2      TYR  67  11.144  -5.946  -5.992
  451    HE1  TYR  67           HE1      TYR  67  15.037  -8.955  -5.369
  452    HE2  TYR  67           HE2      TYR  67  11.787  -7.530  -7.789
  453    HH   TYR  67           HH       TYR  67  14.144  -8.718  -8.435
  454    H    HIS  68           H        HIS  68  12.199  -8.296  -0.675
  455    HA   HIS  68           HA       HIS  68  15.124  -7.867  -0.377
  456   1HB   HIS  68          HB2       HIS  68  13.287  -6.962   1.532
  457   2HB   HIS  68          HB1       HIS  68  13.890  -8.487   2.183
  458    HD1  HIS  68           HD1      HIS  68  16.251  -8.513   3.091
  459    HD2  HIS  68           HD2      HIS  68  15.420  -5.037   0.945
  460    HE1  HIS  68           HE1      HIS  68  18.233  -6.973   3.427
  Start of MODEL   11
    1   1H    GLY   1          HT1       GLY   1  -6.844  -9.311   3.728
    2   2H    GLY   1          HT2       GLY   1  -7.540  -8.638   2.331
    3   3H    GLY   1          HT3       GLY   1  -8.067 -10.148   2.904
    4   1HA   GLY   1          HA1       GLY   1  -8.341  -8.317   4.996
    5   2HA   GLY   1          HA2       GLY   1  -9.050  -7.606   3.547
    6    H    LYS   2           H        LYS   2  -9.811  -9.463   6.147
    7    HA   LYS   2           HA       LYS   2 -11.639 -11.296   4.708
    8   1HB   LYS   2          HB2       LYS   2 -10.280 -11.367   7.208
    9   2HB   LYS   2          HB1       LYS   2 -12.010 -11.356   7.552
   10   1HG   LYS   2          HG2       LYS   2 -12.312 -13.434   6.699
   11   2HG   LYS   2          HG1       LYS   2 -11.265 -13.112   5.316
   12   1HD   LYS   2          HD2       LYS   2 -10.288 -14.861   6.745
   13   2HD   LYS   2          HD1       LYS   2  -9.279 -13.415   6.760
   14   1HE   LYS   2          HE2       LYS   2 -10.302 -12.708   8.884
   15   2HE   LYS   2          HE1       LYS   2 -11.336 -14.136   8.869
   16   1HZ   LYS   2          HZ1       LYS   2  -9.678 -15.432   9.569
   17   2HZ   LYS   2          HZ2       LYS   2  -8.899 -13.991  10.020
   18   3HZ   LYS   2          HZ3       LYS   2  -8.540 -14.723   8.530
   19    H    GLU   3           H        GLU   3 -11.906  -8.842   7.311
   20    HA   GLU   3           HA       GLU   3 -14.618  -8.201   6.231
   21   1HB   GLU   3          HB2       GLU   3 -14.064  -8.013   9.175
   22   2HB   GLU   3          HB1       GLU   3 -15.601  -8.249   8.342
   23   1HG   GLU   3          HG2       GLU   3 -15.309 -10.419   8.997
   24   2HG   GLU   3          HG1       GLU   3 -14.292 -10.491   7.557
   25    H    CYS   4           H        CYS   4 -11.736  -6.990   6.245
   26    HA   CYS   4           HA       CYS   4 -12.704  -4.242   6.809
   27   1HB   CYS   4          HB2       CYS   4 -10.387  -5.615   8.106
   28   2HB   CYS   4          HB1       CYS   4 -10.205  -3.912   7.688
   29    H    ASP   5           H        ASP   5 -12.561  -3.363   4.799
   30    HA   ASP   5           HA       ASP   5 -10.323  -4.127   3.019
   31   1HB   ASP   5          HB2       ASP   5 -12.787  -2.410   2.595
   32   2HB   ASP   5          HB1       ASP   5 -11.555  -2.679   1.360
   33    H    CYS   6           H        CYS   6 -11.234  -1.622   5.194
   34    HA   CYS   6           HA       CYS   6  -8.920   0.000   4.225
   35   1HB   CYS   6          HB2       CYS   6 -10.106   2.028   4.558
   36   2HB   CYS   6          HB1       CYS   6 -11.267   0.975   3.757
   37    H    SER   7           H        SER   7  -8.385   1.664   6.180
   38    HA   SER   7           HA       SER   7  -8.452   0.039   8.692
   39   1HB   SER   7          HB2       SER   7  -6.201   0.482   7.221
   40   2HB   SER   7          HB1       SER   7  -6.157   1.865   8.311
   41    HG   SER   7           HG       SER   7  -5.761   0.562   9.922
   42    H    SER   8           H        SER   8  -9.532   2.836   7.316
   43    HA   SER   8           HA       SER   8  -9.346   4.306   9.913
   44   1HB   SER   8          HB2       SER   8  -8.945   5.166   7.156
   45   2HB   SER   8          HB1       SER   8 -10.158   6.145   7.976
   46    HG   SER   8           HG       SER   8  -7.762   6.648   8.187
   47    HA   PRO   9           HA       PRO   9 -13.739   3.776  10.014
   48   1HB   PRO   9          HB2       PRO   9 -14.199   5.421  12.167
   49   2HB   PRO   9          HB1       PRO   9 -13.541   3.782  12.313
   50   1HG   PRO   9          HG2       PRO   9 -12.138   6.398  12.591
   51   2HG   PRO   9          HG1       PRO   9 -11.733   4.827  13.303
   52   1HD   PRO   9          HD2       PRO   9 -10.480   6.004  11.050
   53   2HD   PRO   9          HD1       PRO   9 -10.311   4.317  11.579
   54    H    GLU  10           H        GLU  10 -12.331   7.045  10.212
   55    HA   GLU  10           HA       GLU  10 -14.792   8.352   9.362
   56   1HB   GLU  10          HB2       GLU  10 -12.864   9.382  10.738
   57   2HB   GLU  10          HB1       GLU  10 -12.025   9.549   9.194
   58   1HG   GLU  10          HG2       GLU  10 -13.950  10.828   8.298
   59   2HG   GLU  10          HG1       GLU  10 -14.751  10.697   9.865
   60    H    ASN  11           H        ASN  11 -12.011   6.951   7.780
   61    HA   ASN  11           HA       ASN  11 -11.886   8.221   5.332
   62   1HB   ASN  11          HB2       ASN  11 -10.603   6.153   6.043
   63   2HB   ASN  11          HB1       ASN  11 -12.023   5.207   5.592
   64   1HD2  ASN  11          1HD2      ASN  11  -9.243   5.365   4.313
   65   2HD2  ASN  11          2HD2      ASN  11  -9.550   5.723   2.683
   66    HA   PRO  12           HA       PRO  12 -16.094   7.796   3.918
   67   1HB   PRO  12          HB2       PRO  12 -15.726   9.206   1.588
   68   2HB   PRO  12          HB1       PRO  12 -15.935   9.971   3.173
   69   1HG   PRO  12          HG2       PRO  12 -13.452   9.661   1.551
   70   2HG   PRO  12          HG1       PRO  12 -13.857  10.891   2.759
   71   1HD   PRO  12          HD2       PRO  12 -12.174   8.651   3.171
   72   2HD   PRO  12          HD1       PRO  12 -12.844   9.701   4.437
   73    H    CYS  13           H        CYS  13 -13.224   6.674   2.327
   74    HA   CYS  13           HA       CYS  13 -14.523   5.508   0.014
   75   1HB   CYS  13          HB2       CYS  13 -11.814   5.439   1.223
   76   2HB   CYS  13          HB1       CYS  13 -12.265   4.034   0.260
   77    H    CYS  14           H        CYS  14 -14.405   4.621   3.322
   78    HA   CYS  14           HA       CYS  14 -15.590   1.992   2.602
   79   1HB   CYS  14          HB2       CYS  14 -14.223   0.781   4.156
   80   2HB   CYS  14          HB1       CYS  14 -13.129   1.727   3.149
   81    H    ASP  15           H        ASP  15 -16.810   1.028   4.379
   82    HA   ASP  15           HA       ASP  15 -18.186   3.113   5.947
   83   1HB   ASP  15          HB2       ASP  15 -19.290   1.160   4.620
   84   2HB   ASP  15          HB1       ASP  15 -18.827   0.170   6.002
   85    H    ALA  16           H        ALA  16 -17.834   3.413   8.104
   86    HA   ALA  16           HA       ALA  16 -15.711   2.011   9.456
   87   1HB   ALA  16          HB1       ALA  16 -16.856   4.403   9.860
   88   2HB   ALA  16          HB2       ALA  16 -16.024   3.540  11.154
   89   3HB   ALA  16          HB3       ALA  16 -17.781   3.468  11.035
   90    H    ALA  17           H        ALA  17 -19.236   1.711   9.449
   91    HA   ALA  17           HA       ALA  17 -19.508  -0.033  11.678
   92   1HB   ALA  17          HB1       ALA  17 -21.240   1.073   9.870
   93   2HB   ALA  17          HB2       ALA  17 -21.683  -0.190  11.018
   94   3HB   ALA  17          HB3       ALA  17 -21.249  -0.616   9.363
   95    H    THR  18           H        THR  18 -19.407  -0.952   8.209
   96    HA   THR  18           HA       THR  18 -18.767  -3.717   8.958
   97    HB   THR  18           HB       THR  18 -19.044  -4.240   6.669
   98    HG1  THR  18           HG1      THR  18 -18.198  -1.607   6.346
   99   1HG2  THR  18          1HG2      THR  18 -21.161  -3.336   6.142
  100   2HG2  THR  18          2HG2      THR  18 -20.784  -1.790   6.903
  101   3HG2  THR  18          3HG2      THR  18 -21.070  -3.217   7.900
  102    H    CYS  19           H        CYS  19 -17.002  -0.865   8.473
  103    HA   CYS  19           HA       CYS  19 -14.686  -0.482   8.310
  104   1HB   CYS  19          HB2       CYS  19 -14.574  -2.107  10.156
  105   2HB   CYS  19          HB1       CYS  19 -14.621  -3.440   9.006
  106    H    LYS  20           H        LYS  20 -16.331  -1.419   5.962
  107    HA   LYS  20           HA       LYS  20 -14.016  -2.329   4.305
  108   1HB   LYS  20          HB2       LYS  20 -16.859  -3.350   4.086
  109   2HB   LYS  20          HB1       LYS  20 -15.516  -3.810   3.040
  110   1HG   LYS  20          HG2       LYS  20 -14.379  -4.372   5.395
  111   2HG   LYS  20          HG1       LYS  20 -16.065  -4.571   5.875
  112   1HD   LYS  20          HD2       LYS  20 -15.486  -5.816   3.293
  113   2HD   LYS  20          HD1       LYS  20 -14.512  -6.488   4.600
  114   1HE   LYS  20          HE2       LYS  20 -16.332  -7.355   5.698
  115   2HE   LYS  20          HE1       LYS  20 -17.398  -6.048   5.181
  116   1HZ   LYS  20          HZ1       LYS  20 -16.765  -8.557   3.866
  117   2HZ   LYS  20          HZ2       LYS  20 -16.855  -7.200   2.848
  118   3HZ   LYS  20          HZ3       LYS  20 -18.185  -7.631   3.812
  119    H    LEU  21           H        LEU  21 -14.496  -1.968   1.903
  120    HA   LEU  21           HA       LEU  21 -15.027   0.757   1.403
  121   1HB   LEU  21          HB2       LEU  21 -15.014  -1.677  -0.366
  122   2HB   LEU  21          HB1       LEU  21 -15.432  -0.090  -1.016
  123    HG   LEU  21           HG       LEU  21 -13.104   0.193   0.622
  124   1HD1  LEU  21          1HD1      LEU  21 -12.935  -2.293   0.095
  125   2HD1  LEU  21          2HD1      LEU  21 -11.557  -1.306  -0.389
  126   3HD1  LEU  21          3HD1      LEU  21 -12.737  -1.823  -1.594
  127   1HD2  LEU  21          1HD2      LEU  21 -13.866   0.536  -2.259
  128   2HD2  LEU  21          2HD2      LEU  21 -12.167   0.662  -1.803
  129   3HD2  LEU  21          3HD2      LEU  21 -13.355   1.752  -1.089
  130    H    ARG  22           H        ARG  22 -16.882   1.884   1.259
  131    HA   ARG  22           HA       ARG  22 -19.434   0.482   1.614
  132   1HB   ARG  22          HB2       ARG  22 -18.508   2.940   2.417
  133   2HB   ARG  22          HB1       ARG  22 -19.530   3.370   1.046
  134   1HG   ARG  22          HG2       ARG  22 -21.032   1.463   2.404
  135   2HG   ARG  22          HG1       ARG  22 -20.303   2.421   3.694
  136   1HD   ARG  22          HD2       ARG  22 -21.032   4.430   2.081
  137   2HD   ARG  22          HD1       ARG  22 -22.242   3.248   1.584
  138    HE   ARG  22           HE       ARG  22 -22.010   3.556   4.487
  139   1HH1  ARG  22          1HH2      ARG  22 -22.688   6.263   3.333
  140   2HH1  ARG  22          2HH2      ARG  22 -24.418   6.213   3.313
  141   1HH2  ARG  22          1HH1      ARG  22 -24.587   2.769   3.698
  142   2HH2  ARG  22          2HH1      ARG  22 -25.495   4.233   3.517
  143    HA   PRO  23           HA       PRO  23 -20.226   2.346  -2.695
  144   1HB   PRO  23          HB2       PRO  23 -18.139   3.618  -3.950
  145   2HB   PRO  23          HB1       PRO  23 -19.285   4.443  -2.880
  146   1HG   PRO  23          HG2       PRO  23 -16.451   3.695  -2.365
  147   2HG   PRO  23          HG1       PRO  23 -17.430   4.964  -1.614
  148   1HD   PRO  23          HD2       PRO  23 -16.806   2.421  -0.497
  149   2HD   PRO  23          HD1       PRO  23 -17.964   3.603   0.146
  150    H    GLY  24           H        GLY  24 -18.787   2.186  -5.090
  151   1HA   GLY  24          HA2       GLY  24 -18.052  -0.675  -5.100
  152   2HA   GLY  24          HA1       GLY  24 -18.323   0.328  -6.527
  153    H    ALA  25           H        ALA  25 -16.324   1.590  -4.000
  154    HA   ALA  25           HA       ALA  25 -14.072   1.915  -5.754
  155   1HB   ALA  25          HB1       ALA  25 -14.287   3.492  -4.007
  156   2HB   ALA  25          HB2       ALA  25 -12.909   2.503  -3.520
  157   3HB   ALA  25          HB3       ALA  25 -14.488   2.245  -2.782
  158    H    GLN  26           H        GLN  26 -12.009   0.840  -5.647
  159    HA   GLN  26           HA       GLN  26 -12.243  -2.003  -4.925
  160   1HB   GLN  26          HB2       GLN  26 -10.548  -0.360  -6.663
  161   2HB   GLN  26          HB1       GLN  26  -9.637  -1.578  -5.768
  162   1HG   GLN  26          HG2       GLN  26 -10.291  -2.863  -7.568
  163   2HG   GLN  26          HG1       GLN  26 -11.685  -3.116  -6.521
  164   1HE2  GLN  26          1HE2      GLN  26 -10.550  -0.829  -9.073
  165   2HE2  GLN  26          2HE2      GLN  26 -12.091  -0.581  -9.739
  166    H    CYS  27           H        CYS  27 -10.681   0.891  -3.710
  167    HA   CYS  27           HA       CYS  27  -9.949  -0.560  -1.261
  168   1HB   CYS  27          HB2       CYS  27  -7.576   0.109  -1.369
  169   2HB   CYS  27          HB1       CYS  27  -7.996  -0.956  -2.710
  170    H    GLY  28           H        GLY  28  -9.585   0.869   0.493
  171   1HA   GLY  28          HA2       GLY  28 -10.350   3.700  -0.080
  172   2HA   GLY  28          HA1       GLY  28 -10.699   2.873   1.436
  173    H    GLU  29           H        GLU  29  -7.782   1.727   0.843
  174    HA   GLU  29           HA       GLU  29  -6.077   4.015   1.314
  175   1HB   GLU  29          HB2       GLU  29  -5.512   3.612   3.618
  176   2HB   GLU  29          HB1       GLU  29  -7.262   3.758   3.528
  177   1HG   GLU  29          HG2       GLU  29  -7.614   1.502   3.919
  178   2HG   GLU  29          HG1       GLU  29  -6.052   1.031   3.252
  179    H    GLY  30           H        GLY  30  -3.818   3.088   2.117
  180   1HA   GLY  30          HA2       GLY  30  -2.698   0.716   2.110
  181   2HA   GLY  30          HA1       GLY  30  -3.344   0.652   0.467
  182    H    LEU  31           H        LEU  31  -0.586   0.491   0.898
  183    HA   LEU  31           HA       LEU  31   0.736   3.041   0.734
  184   1HB   LEU  31          HB2       LEU  31   1.498   0.199   0.154
  185   2HB   LEU  31          HB1       LEU  31   2.548   1.496  -0.418
  186    HG   LEU  31           HG       LEU  31   1.675   1.896   2.347
  187   1HD1  LEU  31          1HD1      LEU  31   1.736  -0.468   2.606
  188   2HD1  LEU  31          2HD1      LEU  31   3.315   0.089   3.161
  189   3HD1  LEU  31          3HD1      LEU  31   3.144  -0.625   1.556
  190   1HD2  LEU  31          1HD2      LEU  31   4.479   1.535   1.278
  191   2HD2  LEU  31          2HD2      LEU  31   3.944   2.535   2.627
  192   3HD2  LEU  31          3HD2      LEU  31   3.562   3.010   0.973
  193    H    CYS  32           H        CYS  32  -1.285   1.471  -1.462
  194    HA   CYS  32           HA       CYS  32  -0.363   3.286  -3.617
  195   1HB   CYS  32          HB2       CYS  32  -0.931   0.399  -4.264
  196   2HB   CYS  32          HB1       CYS  32  -0.077   1.599  -5.235
  197    H    CYS  33           H        CYS  33  -2.711   3.484  -2.016
  198    HA   CYS  33           HA       CYS  33  -4.805   2.756  -4.030
  199   1HB   CYS  33          HB2       CYS  33  -5.153   1.540  -1.931
  200   2HB   CYS  33          HB1       CYS  33  -5.098   3.051  -1.024
  201    H    GLU  34           H        GLU  34  -5.835   4.475  -4.938
  202    HA   GLU  34           HA       GLU  34  -6.106   6.993  -3.420
  203   1HB   GLU  34          HB2       GLU  34  -3.897   7.135  -4.589
  204   2HB   GLU  34          HB1       GLU  34  -4.738   6.922  -6.126
  205   1HG   GLU  34          HG2       GLU  34  -5.363   9.086  -6.172
  206   2HG   GLU  34          HG1       GLU  34  -5.988   9.003  -4.524
  207    H    GLN  35           H        GLN  35  -7.920   8.143  -4.056
  208    HA   GLN  35           HA       GLN  35  -9.852   8.689  -5.254
  209   1HB   GLN  35          HB2       GLN  35  -9.686   8.678  -7.522
  210   2HB   GLN  35          HB1       GLN  35  -8.031   8.169  -7.218
  211   1HG   GLN  35          HG2       GLN  35  -9.259   5.752  -7.165
  212   2HG   GLN  35          HG1       GLN  35 -10.330   6.609  -8.272
  213   1HE2  GLN  35          1HE2      GLN  35  -9.545   7.069 -10.385
  214   2HE2  GLN  35          2HE2      GLN  35  -7.996   6.631 -10.920
  215    H    CYS  36           H        CYS  36  -9.538   6.231  -3.541
  216    HA   CYS  36           HA       CYS  36 -10.942   4.455  -2.887
  217   1HB   CYS  36          HB2       CYS  36 -12.620   6.325  -4.294
  218   2HB   CYS  36          HB1       CYS  36 -13.108   4.694  -4.698
  219    H    LYS  37           H        LYS  37  -9.034   4.257  -5.234
  220    HA   LYS  37           HA       LYS  37 -10.134   1.709  -6.264
  221   1HB   LYS  37          HB2       LYS  37  -9.965   4.149  -7.826
  222   2HB   LYS  37          HB1       LYS  37  -8.952   2.885  -8.524
  223   1HG   LYS  37          HG2       LYS  37 -11.202   1.465  -7.894
  224   2HG   LYS  37          HG1       LYS  37 -11.895   3.033  -8.309
  225   1HD   LYS  37          HD2       LYS  37  -9.806   1.807 -10.092
  226   2HD   LYS  37          HD1       LYS  37 -11.484   1.275 -10.211
  227   1HE   LYS  37          HE2       LYS  37 -11.066   4.210 -10.124
  228   2HE   LYS  37          HE1       LYS  37 -10.503   3.396 -11.584
  229   1HZ   LYS  37          HZ1       LYS  37 -13.098   4.095 -10.963
  230   2HZ   LYS  37          HZ2       LYS  37 -13.039   2.404 -10.803
  231   3HZ   LYS  37          HZ3       LYS  37 -12.580   3.138 -12.264
  232    H    PHE  38           H        PHE  38  -8.382   0.542  -7.565
  233    HA   PHE  38           HA       PHE  38  -5.967   0.438  -6.000
  234   1HB   PHE  38          HB2       PHE  38  -6.965  -0.858  -8.505
  235   2HB   PHE  38          HB1       PHE  38  -5.241  -0.949  -8.152
  236    HD1  PHE  38           HD2      PHE  38  -7.592  -0.675  -5.368
  237    HD2  PHE  38           HD1      PHE  38  -5.430  -3.413  -7.874
  238    HE1  PHE  38           HE2      PHE  38  -8.014  -2.500  -3.742
  239    HE2  PHE  38           HE1      PHE  38  -5.851  -5.237  -6.246
  240    HZ   PHE  38           HZ       PHE  38  -7.143  -4.780  -4.180
  241    H    SER  39           H        SER  39  -4.247   1.804  -6.165
  242    HA   SER  39           HA       SER  39  -4.022   3.919  -8.006
  243   1HB   SER  39          HB2       SER  39  -1.669   4.059  -7.339
  244   2HB   SER  39          HB1       SER  39  -2.660   3.704  -5.929
  245    HG   SER  39           HG       SER  39  -2.156   1.396  -6.617
  246    H    ARG  40           H        ARG  40  -1.805   3.917  -9.485
  247    HA   ARG  40           HA       ARG  40  -2.213   1.606 -11.334
  248   1HB   ARG  40          HB2       ARG  40  -2.475   4.226 -11.931
  249   2HB   ARG  40          HB1       ARG  40  -0.750   4.033 -12.247
  250   1HG   ARG  40          HG2       ARG  40  -1.141   2.302 -13.850
  251   2HG   ARG  40          HG1       ARG  40  -2.831   2.145 -13.369
  252   1HD   ARG  40          HD2       ARG  40  -1.963   4.843 -14.263
  253   2HD   ARG  40          HD1       ARG  40  -2.052   3.598 -15.509
  254    HE   ARG  40           HE       ARG  40  -4.345   4.587 -13.894
  255   1HH1  ARG  40          1HH2      ARG  40  -3.250   1.943 -15.715
  256   2HH1  ARG  40          2HH2      ARG  40  -4.661   1.842 -16.715
  257   1HH2  ARG  40          1HH1      ARG  40  -6.082   4.746 -15.458
  258   2HH2  ARG  40          2HH1      ARG  40  -6.262   3.431 -16.572
  259    H    ALA  41           H        ALA  41  -0.341   0.558 -12.204
  260    HA   ALA  41           HA       ALA  41   1.802   0.055 -10.490
  261   1HB   ALA  41          HB1       ALA  41   1.874  -1.446 -12.219
  262   2HB   ALA  41          HB2       ALA  41   3.025  -0.290 -12.890
  263   3HB   ALA  41          HB3       ALA  41   1.339  -0.258 -13.407
  264    H    GLY  42           H        GLY  42   4.177   0.678 -10.940
  265   1HA   GLY  42          HA2       GLY  42   5.812   2.366 -11.133
  266   2HA   GLY  42          HA1       GLY  42   4.694   3.240 -12.184
  267    H    LYS  43           H        LYS  43   3.568   2.178  -9.084
  268    HA   LYS  43           HA       LYS  43   3.365   5.025  -8.243
  269   1HB   LYS  43          HB2       LYS  43   1.275   3.878  -8.108
  270   2HB   LYS  43          HB1       LYS  43   2.010   2.485  -7.318
  271   1HG   LYS  43          HG2       LYS  43   0.857   3.793  -5.632
  272   2HG   LYS  43          HG1       LYS  43   2.593   3.971  -5.378
  273   1HD   LYS  43          HD2       LYS  43   2.133   6.021  -7.109
  274   2HD   LYS  43          HD1       LYS  43   0.599   5.979  -6.239
  275   1HE   LYS  43          HE2       LYS  43   1.938   5.961  -4.086
  276   2HE   LYS  43          HE1       LYS  43   3.372   6.285  -5.061
  277   1HZ   LYS  43          HZ1       LYS  43   1.951   8.223  -4.050
  278   2HZ   LYS  43          HZ2       LYS  43   1.017   7.983  -5.449
  279   3HZ   LYS  43          HZ3       LYS  43   2.666   8.371  -5.580
  280    H    ILE  44           H        ILE  44   4.813   5.804  -6.806
  281    HA   ILE  44           HA       ILE  44   6.756   4.085  -5.531
  282    HB   ILE  44           HB       ILE  44   6.197   6.993  -5.687
  283   1HG1  ILE  44          2HG1      ILE  44   7.910   5.748  -7.016
  284   2HG1  ILE  44          1HG1      ILE  44   8.606   7.053  -6.052
  285   1HG2  ILE  44          1HG2      ILE  44   6.201   6.724  -3.236
  286   2HG2  ILE  44          2HG2      ILE  44   7.680   7.524  -3.770
  287   3HG2  ILE  44          3HG2      ILE  44   7.712   5.817  -3.331
  288   1HD1  ILE  44          1HD1      ILE  44   9.987   5.534  -5.124
  289   2HD1  ILE  44          2HD1      ILE  44   9.135   4.207  -5.914
  290   3HD1  ILE  44          3HD1      ILE  44   8.575   4.810  -4.355
  291    H    CYS  45           H        CYS  45   6.424   2.916  -3.727
  292    HA   CYS  45           HA       CYS  45   4.269   3.797  -1.854
  293   1HB   CYS  45          HB2       CYS  45   4.351   1.341  -1.124
  294   2HB   CYS  45          HB1       CYS  45   3.681   1.665  -2.719
  295    H    ARG  46           H        ARG  46   7.638   3.188  -2.204
  296    HA   ARG  46           HA       ARG  46   8.113   4.061   0.550
  297   1HB   ARG  46          HB2       ARG  46   7.749   1.582   0.755
  298   2HB   ARG  46          HB1       ARG  46   9.116   1.337  -0.332
  299   1HG   ARG  46          HG2       ARG  46  10.463   2.789   1.310
  300   2HG   ARG  46          HG1       ARG  46   9.126   2.548   2.433
  301   1HD   ARG  46          HD2       ARG  46   9.766   0.008   1.315
  302   2HD   ARG  46          HD1       ARG  46  11.278   0.757   1.828
  303    HE   ARG  46           HE       ARG  46   8.960   0.593   3.706
  304   1HH1  ARG  46          1HH2      ARG  46  11.245  -1.572   3.032
  305   2HH1  ARG  46          2HH2      ARG  46  12.158  -1.427   4.496
  306   1HH2  ARG  46          1HH1      ARG  46  10.565   1.476   5.518
  307   2HH2  ARG  46          2HH1      ARG  46  11.774   0.298   5.902
  308    H    ILE  47           H        ILE  47  10.115   5.081   0.680
  309    HA   ILE  47           HA       ILE  47  11.896   4.775  -1.701
  310    HB   ILE  47           HB       ILE  47  10.574   6.942  -1.624
  311   1HG1  ILE  47          2HG1      ILE  47  13.017   8.231  -1.610
  312   2HG1  ILE  47          1HG1      ILE  47  13.474   6.554  -1.919
  313   1HG2  ILE  47          1HG2      ILE  47  11.053   7.003   0.995
  314   2HG2  ILE  47          2HG2      ILE  47  10.886   8.494   0.066
  315   3HG2  ILE  47          3HG2      ILE  47  12.490   7.882   0.472
  316   1HD1  ILE  47          1HD1      ILE  47  13.054   7.444  -4.072
  317   2HD1  ILE  47          2HD1      ILE  47  11.623   8.316  -3.525
  318   3HD1  ILE  47          3HD1      ILE  47  11.580   6.560  -3.676
  319    HA   PRO  48           HA       PRO  48  14.502   3.871   1.885
  320   1HB   PRO  48          HB2       PRO  48  16.080   2.082   0.528
  321   2HB   PRO  48          HB1       PRO  48  14.547   1.641   1.291
  322   1HG   PRO  48          HG2       PRO  48  15.158   2.012  -1.605
  323   2HG   PRO  48          HG1       PRO  48  13.915   1.009  -0.840
  324   1HD   PRO  48          HD2       PRO  48  13.493   3.532  -2.054
  325   2HD   PRO  48          HD1       PRO  48  12.345   2.671  -1.005
  326    H    ARG  49           H        ARG  49  16.499   4.864   2.312
  327    HA   ARG  49           HA       ARG  49  17.695   6.400   0.065
  328   1HB   ARG  49          HB2       ARG  49  18.509   6.762   2.931
  329   2HB   ARG  49          HB1       ARG  49  18.431   7.955   1.635
  330   1HG   ARG  49          HG2       ARG  49  15.943   6.629   2.729
  331   2HG   ARG  49          HG1       ARG  49  16.608   8.099   3.441
  332   1HD   ARG  49          HD2       ARG  49  16.524   8.418   0.592
  333   2HD   ARG  49          HD1       ARG  49  14.939   7.881   1.151
  334    HE   ARG  49           HE       ARG  49  15.669   9.897   2.930
  335   1HH1  ARG  49          1HH2      ARG  49  13.630   9.697   0.464
  336   2HH1  ARG  49          2HH2      ARG  49  13.906  11.266  -0.216
  337   1HH2  ARG  49          1HH1      ARG  49  16.760  11.869   1.658
  338   2HH2  ARG  49          2HH1      ARG  49  15.679  12.494   0.458
  339    H    GLY  50           H        GLY  50  19.964   6.325  -0.319
  340   1HA   GLY  50          HA2       GLY  50  22.175   5.431   0.600
  341   2HA   GLY  50          HA1       GLY  50  21.303   3.919   0.852
  342    H    GLU  51           H        GLU  51  22.520   2.676  -0.613
  343    HA   GLU  51           HA       GLU  51  22.660   3.621  -3.427
  344   1HB   GLU  51          HB2       GLU  51  24.103   1.556  -1.804
  345   2HB   GLU  51          HB1       GLU  51  23.996   1.329  -3.551
  346   1HG   GLU  51          HG2       GLU  51  25.847   2.659  -3.594
  347   2HG   GLU  51          HG1       GLU  51  24.679   3.968  -3.417
  348    H    MET  52           H        MET  52  20.263   2.395  -1.832
  349    HA   MET  52           HA       MET  52  19.733   0.034  -3.547
  350   1HB   MET  52          HB2       MET  52  18.054  -0.561  -2.019
  351   2HB   MET  52          HB1       MET  52  19.257   0.199  -0.987
  352   1HG   MET  52          HG2       MET  52  17.008   1.830  -2.167
  353   2HG   MET  52          HG1       MET  52  16.773   0.895  -0.697
  354   1HE   MET  52          HE1       MET  52  17.400   3.918  -2.200
  355   2HE   MET  52          HE2       MET  52  19.153   3.798  -2.312
  356   3HE   MET  52          HE3       MET  52  18.426   4.940  -1.185
  357    HA   PRO  53           HA       PRO  53  17.070   2.224  -6.257
  358   1HB   PRO  53          HB2       PRO  53  15.282   0.235  -6.895
  359   2HB   PRO  53          HB1       PRO  53  16.942   0.295  -7.510
  360   1HG   PRO  53          HG2       PRO  53  15.781  -1.480  -5.417
  361   2HG   PRO  53          HG1       PRO  53  17.176  -1.755  -6.474
  362   1HD   PRO  53          HD2       PRO  53  17.274  -0.987  -3.749
  363   2HD   PRO  53          HD1       PRO  53  18.634  -0.967  -4.891
  364    H    ASP  54           H        ASP  54  14.321   1.921  -6.668
  365    HA   ASP  54           HA       ASP  54  13.214   2.764  -4.019
  366   1HB   ASP  54          HB2       ASP  54  12.261   3.568  -6.783
  367   2HB   ASP  54          HB1       ASP  54  11.686   4.209  -5.243
  368    H    ASP  55           H        ASP  55  10.562   2.650  -4.424
  369    HA   ASP  55           HA       ASP  55  10.046  -0.152  -5.336
  370   1HB   ASP  55          HB2       ASP  55  10.041   0.270  -2.795
  371   2HB   ASP  55          HB1       ASP  55   8.560   1.189  -3.074
  372    H    ARG  56           H        ARG  56   8.357  -0.367  -6.739
  373    HA   ARG  56           HA       ARG  56   6.475   1.939  -7.031
  374   1HB   ARG  56          HB2       ARG  56   7.667   0.266  -9.260
  375   2HB   ARG  56          HB1       ARG  56   6.485   1.557  -9.461
  376   1HG   ARG  56          HG2       ARG  56   8.608   2.620  -7.901
  377   2HG   ARG  56          HG1       ARG  56   9.343   1.772  -9.261
  378   1HD   ARG  56          HD2       ARG  56   8.024   3.034 -10.847
  379   2HD   ARG  56          HD1       ARG  56   7.081   3.767  -9.550
  380    HE   ARG  56           HE       ARG  56   9.837   4.372  -9.124
  381   1HH1  ARG  56          1HH1      ARG  56   9.218   4.707 -12.169
  382   2HH1  ARG  56          2HH1      ARG  56   8.901   6.408 -12.219
  383   1HH2  ARG  56          1HH2      ARG  56   8.568   6.718  -8.782
  384   2HH2  ARG  56          2HH2      ARG  56   8.534   7.547 -10.303
  385    H    CYS  57           H        CYS  57   4.403   1.303  -6.745
  386    HA   CYS  57           HA       CYS  57   3.701  -1.455  -6.340
  387   1HB   CYS  57          HB2       CYS  57   1.692   0.670  -7.072
  388   2HB   CYS  57          HB1       CYS  57   1.502  -0.695  -5.973
  389    H    THR  58           H        THR  58   2.107  -2.656  -7.676
  390    HA   THR  58           HA       THR  58   2.767  -2.366 -10.539
  391    HB   THR  58           HB       THR  58   2.127  -4.593 -10.784
  392    HG1  THR  58           HG1      THR  58   0.022  -4.352 -10.022
  393   1HG2  THR  58          1HG2      THR  58   2.549  -5.005  -7.895
  394   2HG2  THR  58          2HG2      THR  58   3.769  -3.997  -8.676
  395   3HG2  THR  58          3HG2      THR  58   3.463  -5.629  -9.269
  396    H    GLY  59           H        GLY  59   0.612  -0.879  -8.681
  397   1HA   GLY  59          HA2       GLY  59  -1.322   0.335  -9.323
  398   2HA   GLY  59          HA1       GLY  59  -1.227  -0.437 -10.906
  399    H    GLN  60           H        GLN  60  -1.455  -3.068 -10.439
  400    HA   GLN  60           HA       GLN  60  -4.233  -3.378  -9.708
  401   1HB   GLN  60          HB2       GLN  60  -2.016  -5.194 -10.569
  402   2HB   GLN  60          HB1       GLN  60  -3.428  -5.917  -9.797
  403   1HG   GLN  60          HG2       GLN  60  -3.949  -3.891 -11.916
  404   2HG   GLN  60          HG1       GLN  60  -3.324  -5.453 -12.445
  405   1HE2  GLN  60          1HE2      GLN  60  -5.977  -4.704 -13.120
  406   2HE2  GLN  60          2HE2      GLN  60  -7.063  -5.683 -12.257
  407    H    SER  61           H        SER  61  -1.464  -3.084  -7.824
  408    HA   SER  61           HA       SER  61  -2.737  -4.656  -5.610
  409   1HB   SER  61          HB2       SER  61   0.089  -4.280  -6.448
  410   2HB   SER  61          HB1       SER  61  -0.217  -4.285  -4.713
  411    HG   SER  61           HG       SER  61  -1.431  -6.232  -6.320
  412    H    ALA  62           H        ALA  62  -3.550  -3.426  -3.976
  413    HA   ALA  62           HA       ALA  62  -3.086  -0.543  -3.930
  414   1HB   ALA  62          HB1       ALA  62  -4.475  -2.261  -1.848
  415   2HB   ALA  62          HB2       ALA  62  -5.274  -1.607  -3.277
  416   3HB   ALA  62          HB3       ALA  62  -4.629  -0.516  -2.052
  417    H    ASP  63           H        ASP  63  -1.928  -3.353  -2.158
  418    HA   ASP  63           HA       ASP  63  -0.523  -1.683  -0.181
  419   1HB   ASP  63          HB2       ASP  63  -0.805  -4.644  -0.654
  420   2HB   ASP  63          HB1       ASP  63   0.432  -4.028   0.440
  421    H    CYS  64           H        CYS  64   1.918  -2.414   0.147
  422    HA   CYS  64           HA       CYS  64   3.203  -2.467  -2.551
  423   1HB   CYS  64          HB2       CYS  64   3.463  -0.254  -1.599
  424   2HB   CYS  64          HB1       CYS  64   4.046  -0.928  -0.081
  425    HA   PRO  65           HA       PRO  65   5.025  -6.073  -0.748
  426   1HB   PRO  65          HB2       PRO  65   6.048  -6.940  -3.134
  427   2HB   PRO  65          HB1       PRO  65   4.371  -7.197  -2.650
  428   1HG   PRO  65          HG2       PRO  65   5.487  -5.351  -4.685
  429   2HG   PRO  65          HG1       PRO  65   3.843  -5.993  -4.536
  430   1HD   PRO  65          HD2       PRO  65   4.736  -3.392  -3.782
  431   2HD   PRO  65          HD1       PRO  65   3.141  -4.103  -3.463
  432    H    ARG  66           H        ARG  66   7.370  -7.063  -1.081
  433    HA   ARG  66           HA       ARG  66   9.274  -4.804  -0.829
  434   1HB   ARG  66          HB2       ARG  66   9.797  -7.751  -0.354
  435   2HB   ARG  66          HB1       ARG  66  10.769  -6.388   0.202
  436   1HG   ARG  66          HG2       ARG  66   7.898  -6.890   1.035
  437   2HG   ARG  66          HG1       ARG  66   9.307  -7.341   1.995
  438   1HD   ARG  66          HD2       ARG  66  10.015  -4.872   1.794
  439   2HD   ARG  66          HD1       ARG  66   8.365  -4.571   1.251
  440    HE   ARG  66           HE       ARG  66   7.690  -5.684   3.485
  441   1HH1  ARG  66          1HH2      ARG  66   8.456  -2.836   3.833
  442   2HH1  ARG  66          2HH2      ARG  66   9.644  -2.915   5.090
  443   1HH2  ARG  66          1HH1      ARG  66  10.178  -6.324   4.732
  444   2HH2  ARG  66          2HH1      ARG  66  10.618  -4.892   5.602
  445    H    TYR  67           H        TYR  67  11.330  -4.882  -1.996
  446    HA   TYR  67           HA       TYR  67  10.967  -5.869  -4.742
  447   1HB   TYR  67          HB2       TYR  67  12.942  -4.593  -5.266
  448   2HB   TYR  67          HB1       TYR  67  11.964  -3.610  -4.177
  449    HD1  TYR  67           HD2      TYR  67  15.004  -5.670  -4.487
  450    HD2  TYR  67           HD1      TYR  67  12.646  -3.212  -1.872
  451    HE1  TYR  67           HE2      TYR  67  16.891  -5.570  -2.880
  452    HE2  TYR  67           HE1      TYR  67  14.531  -3.114  -0.263
  453    HH   TYR  67           HH       TYR  67  16.834  -3.441  -0.112
  454    H    HIS  68           H        HIS  68  12.633  -6.819  -1.843
  455    HA   HIS  68           HA       HIS  68  14.598  -8.513  -3.155
  456   1HB   HIS  68          HB2       HIS  68  14.264  -7.556  -0.589
  457   2HB   HIS  68          HB1       HIS  68  13.822  -9.254  -0.416
  458    HD1  HIS  68           HD1      HIS  68  15.690 -10.758  -2.124
  459    HD2  HIS  68           HD2      HIS  68  16.960  -7.372  -0.050
  460    HE1  HIS  68           HE1      HIS  68  18.208 -10.940  -1.928
  Start of MODEL   12
    1   1H    GLY   1          HT1       GLY   1  -8.930  -7.210   9.136
    2   2H    GLY   1          HT2       GLY   1  -8.022  -5.777   9.230
    3   3H    GLY   1          HT3       GLY   1  -7.430  -7.210   9.927
    4   1HA   GLY   1          HA1       GLY   1  -6.701  -6.316   7.519
    5   2HA   GLY   1          HA2       GLY   1  -6.650  -8.011   8.001
    6    H    LYS   2           H        LYS   2  -8.678  -9.284   7.570
    7    HA   LYS   2           HA       LYS   2  -9.702  -8.601   4.896
    8   1HB   LYS   2          HB2       LYS   2 -10.742 -10.835   4.980
    9   2HB   LYS   2          HB1       LYS   2  -9.034 -10.926   5.413
   10   1HG   LYS   2          HG2       LYS   2  -9.476 -11.366   7.638
   11   2HG   LYS   2          HG1       LYS   2 -11.011 -10.498   7.613
   12   1HD   LYS   2          HD2       LYS   2 -10.462 -13.200   6.350
   13   2HD   LYS   2          HD1       LYS   2 -11.434 -12.901   7.791
   14   1HE   LYS   2          HE2       LYS   2 -12.563 -11.189   5.937
   15   2HE   LYS   2          HE1       LYS   2 -12.152 -12.600   4.961
   16   1HZ   LYS   2          HZ1       LYS   2 -13.232 -13.467   7.400
   17   2HZ   LYS   2          HZ2       LYS   2 -13.857 -13.675   5.834
   18   3HZ   LYS   2          HZ3       LYS   2 -14.277 -12.303   6.745
   19    H    GLU   3           H        GLU   3 -10.632  -7.996   8.085
   20    HA   GLU   3           HA       GLU   3 -13.528  -7.934   7.402
   21   1HB   GLU   3          HB2       GLU   3 -12.110  -7.503  10.052
   22   2HB   GLU   3          HB1       GLU   3 -13.859  -7.528   9.822
   23   1HG   GLU   3          HG2       GLU   3 -12.813  -9.878   8.599
   24   2HG   GLU   3          HG1       GLU   3 -12.087  -9.751  10.202
   25    H    CYS   4           H        CYS   4 -10.804  -5.902   7.524
   26    HA   CYS   4           HA       CYS   4 -12.611  -3.539   7.354
   27   1HB   CYS   4          HB2       CYS   4 -11.579  -3.631   9.628
   28   2HB   CYS   4          HB1       CYS   4  -9.986  -3.582   8.873
   29    H    ASP   5           H        ASP   5 -12.042  -2.111   5.735
   30    HA   ASP   5           HA       ASP   5  -9.571  -2.791   4.194
   31   1HB   ASP   5          HB2       ASP   5 -12.300  -2.373   3.392
   32   2HB   ASP   5          HB1       ASP   5 -11.288  -1.126   2.662
   33    H    CYS   6           H        CYS   6 -11.028  -0.434   6.167
   34    HA   CYS   6           HA       CYS   6  -8.972   1.546   5.290
   35   1HB   CYS   6          HB2       CYS   6 -10.516   3.339   5.384
   36   2HB   CYS   6          HB1       CYS   6 -11.396   2.060   4.557
   37    H    SER   7           H        SER   7  -7.760   2.321   6.982
   38    HA   SER   7           HA       SER   7  -8.208   1.236   9.641
   39   1HB   SER   7          HB2       SER   7  -6.052   2.435   8.231
   40   2HB   SER   7          HB1       SER   7  -6.334   3.412   9.669
   41    HG   SER   7           HG       SER   7  -6.309   0.601   9.825
   42    H    SER   8           H        SER   8  -9.736   3.701   8.072
   43    HA   SER   8           HA       SER   8 -10.021   5.326  10.563
   44   1HB   SER   8          HB2       SER   8  -9.949   5.993   7.697
   45   2HB   SER   8          HB1       SER   8 -11.254   6.778   8.581
   46    HG   SER   8           HG       SER   8  -8.739   6.716   9.777
   47    HA   PRO   9           HA       PRO   9 -14.065   3.404  10.624
   48   1HB   PRO   9          HB2       PRO   9 -14.786   4.444  13.063
   49   2HB   PRO   9          HB1       PRO   9 -13.740   3.027  12.874
   50   1HG   PRO   9          HG2       PRO   9 -13.005   5.812  13.643
   51   2HG   PRO   9          HG1       PRO   9 -12.192   4.288  14.036
   52   1HD   PRO   9          HD2       PRO   9 -11.380   6.132  12.048
   53   2HD   PRO   9          HD1       PRO   9 -10.794   4.465  12.228
   54    H    GLU  10           H        GLU  10 -13.262   6.550  10.036
   55    HA   GLU  10           HA       GLU  10 -16.127   7.413  10.024
   56   1HB   GLU  10          HB2       GLU  10 -15.448   9.655  10.441
   57   2HB   GLU  10          HB1       GLU  10 -14.501   8.675  11.563
   58   1HG   GLU  10          HG2       GLU  10 -12.760   9.878  10.688
   59   2HG   GLU  10          HG1       GLU  10 -12.842   8.651   9.424
   60    H    ASN  11           H        ASN  11 -13.423   6.636   8.134
   61    HA   ASN  11           HA       ASN  11 -13.614   8.432   5.958
   62   1HB   ASN  11          HB2       ASN  11 -12.166   6.130   6.517
   63   2HB   ASN  11          HB1       ASN  11 -13.154   5.659   5.135
   64   1HD2  ASN  11          1HD2      ASN  11 -10.708   5.704   4.261
   65   2HD2  ASN  11          2HD2      ASN  11 -10.246   7.162   3.526
   66    HA   PRO  12           HA       PRO  12 -17.619   7.306   4.407
   67   1HB   PRO  12          HB2       PRO  12 -17.503   8.862   2.145
   68   2HB   PRO  12          HB1       PRO  12 -17.831   9.513   3.760
   69   1HG   PRO  12          HG2       PRO  12 -15.338   9.697   2.135
   70   2HG   PRO  12          HG1       PRO  12 -15.938  10.786   3.396
   71   1HD   PRO  12          HD2       PRO  12 -13.901   8.840   3.709
   72   2HD   PRO  12          HD1       PRO  12 -14.728   9.711   5.019
   73    H    CYS  13           H        CYS  13 -14.595   6.745   2.870
   74    HA   CYS  13           HA       CYS  13 -15.713   5.371   0.530
   75   1HB   CYS  13          HB2       CYS  13 -13.023   6.121   1.527
   76   2HB   CYS  13          HB1       CYS  13 -13.094   4.645   0.564
   77    H    CYS  14           H        CYS  14 -15.626   4.562   3.704
   78    HA   CYS  14           HA       CYS  14 -15.678   1.684   3.037
   79   1HB   CYS  14          HB2       CYS  14 -14.118   1.071   4.788
   80   2HB   CYS  14          HB1       CYS  14 -13.329   2.223   3.712
   81    H    ASP  15           H        ASP  15 -17.368   0.753   4.044
   82    HA   ASP  15           HA       ASP  15 -19.112   2.198   5.783
   83   1HB   ASP  15          HB2       ASP  15 -19.461  -0.008   4.347
   84   2HB   ASP  15          HB1       ASP  15 -19.004  -0.798   5.856
   85    H    ALA  16           H        ALA  16 -18.810   2.667   7.910
   86    HA   ALA  16           HA       ALA  16 -16.562   1.605   9.387
   87   1HB   ALA  16          HB1       ALA  16 -18.012   2.734  11.333
   88   2HB   ALA  16          HB2       ALA  16 -18.829   3.465   9.952
   89   3HB   ALA  16          HB3       ALA  16 -17.096   3.705  10.181
   90    H    ALA  17           H        ALA  17 -20.033   0.908   9.311
   91    HA   ALA  17           HA       ALA  17 -20.279  -0.699  11.599
   92   1HB   ALA  17          HB1       ALA  17 -21.969  -0.054   9.612
   93   2HB   ALA  17          HB2       ALA  17 -22.273  -1.410  10.698
   94   3HB   ALA  17          HB3       ALA  17 -21.571  -1.695   9.106
   95    H    THR  18           H        THR  18 -18.902  -1.507   8.439
   96    HA   THR  18           HA       THR  18 -18.121  -4.171   9.553
   97    HB   THR  18           HB       THR  18 -18.214  -5.063   7.391
   98    HG1  THR  18           HG1      THR  18 -18.140  -3.708   5.547
   99   1HG2  THR  18          1HG2      THR  18 -20.455  -4.201   8.236
  100   2HG2  THR  18          2HG2      THR  18 -20.348  -4.456   6.495
  101   3HG2  THR  18          3HG2      THR  18 -20.232  -2.825   7.156
  102    H    CYS  19           H        CYS  19 -16.980  -1.116   8.485
  103    HA   CYS  19           HA       CYS  19 -14.785  -0.252   8.582
  104   1HB   CYS  19          HB2       CYS  19 -14.598  -2.263  10.325
  105   2HB   CYS  19          HB1       CYS  19 -13.611  -2.965   9.042
  106    H    LYS  20           H        LYS  20 -16.129  -1.963   6.301
  107    HA   LYS  20           HA       LYS  20 -13.624  -2.349   4.712
  108   1HB   LYS  20          HB2       LYS  20 -16.380  -3.541   4.284
  109   2HB   LYS  20          HB1       LYS  20 -14.968  -3.841   3.270
  110   1HG   LYS  20          HG2       LYS  20 -13.893  -4.448   5.660
  111   2HG   LYS  20          HG1       LYS  20 -15.577  -4.842   6.010
  112   1HD   LYS  20          HD2       LYS  20 -14.985  -5.875   3.424
  113   2HD   LYS  20          HD1       LYS  20 -13.677  -6.365   4.501
  114   1HE   LYS  20          HE2       LYS  20 -15.224  -7.371   6.049
  115   2HE   LYS  20          HE1       LYS  20 -16.607  -6.691   5.192
  116   1HZ   LYS  20          HZ1       LYS  20 -16.624  -8.437   3.856
  117   2HZ   LYS  20          HZ2       LYS  20 -15.346  -9.128   4.736
  118   3HZ   LYS  20          HZ3       LYS  20 -15.020  -8.149   3.387
  119    H    LEU  21           H        LEU  21 -14.407  -2.150   2.176
  120    HA   LEU  21           HA       LEU  21 -14.868   0.664   1.809
  121   1HB   LEU  21          HB2       LEU  21 -14.615  -1.703  -0.001
  122   2HB   LEU  21          HB1       LEU  21 -15.250  -0.194  -0.660
  123    HG   LEU  21           HG       LEU  21 -12.853   0.087   1.047
  124   1HD1  LEU  21          1HD1      LEU  21 -12.824  -1.997  -0.781
  125   2HD1  LEU  21          2HD1      LEU  21 -11.408  -1.166  -0.138
  126   3HD1  LEU  21          3HD1      LEU  21 -12.104  -0.659  -1.676
  127   1HD2  LEU  21          1HD2      LEU  21 -14.248   1.467  -1.062
  128   2HD2  LEU  21          2HD2      LEU  21 -12.560   1.240  -1.521
  129   3HD2  LEU  21          3HD2      LEU  21 -12.960   2.066  -0.015
  130    H    ARG  22           H        ARG  22 -16.763   1.760   1.513
  131    HA   ARG  22           HA       ARG  22 -19.272   0.232   1.747
  132   1HB   ARG  22          HB2       ARG  22 -18.472   2.659   2.757
  133   2HB   ARG  22          HB1       ARG  22 -19.478   3.143   1.391
  134   1HG   ARG  22          HG2       ARG  22 -21.111   1.294   2.348
  135   2HG   ARG  22          HG1       ARG  22 -20.237   1.611   3.846
  136   1HD   ARG  22          HD2       ARG  22 -20.671   4.115   3.320
  137   2HD   ARG  22          HD1       ARG  22 -21.899   3.513   2.206
  138    HE   ARG  22           HE       ARG  22 -22.297   2.229   4.708
  139   1HH1  ARG  22          1HH1      ARG  22 -21.566   5.367   4.895
  140   2HH1  ARG  22          2HH1      ARG  22 -23.156   5.963   5.236
  141   1HH2  ARG  22          1HH2      ARG  22 -24.734   2.981   4.441
  142   2HH2  ARG  22          2HH2      ARG  22 -24.948   4.614   4.977
  143    HA   PRO  23           HA       PRO  23 -20.023   2.394  -2.427
  144   1HB   PRO  23          HB2       PRO  23 -17.972   3.868  -3.508
  145   2HB   PRO  23          HB1       PRO  23 -19.187   4.540  -2.408
  146   1HG   PRO  23          HG2       PRO  23 -16.334   3.905  -1.875
  147   2HG   PRO  23          HG1       PRO  23 -17.405   5.041  -1.039
  148   1HD   PRO  23          HD2       PRO  23 -16.657   2.434  -0.158
  149   2HD   PRO  23          HD1       PRO  23 -17.876   3.495   0.580
  150    H    GLY  24           H        GLY  24 -18.582   2.491  -4.790
  151   1HA   GLY  24          HA2       GLY  24 -17.689  -0.307  -5.034
  152   2HA   GLY  24          HA1       GLY  24 -17.971   0.810  -6.370
  153    H    ALA  25           H        ALA  25 -16.117   2.095  -3.789
  154    HA   ALA  25           HA       ALA  25 -13.814   2.492  -5.470
  155   1HB   ALA  25          HB1       ALA  25 -13.321   3.973  -3.848
  156   2HB   ALA  25          HB2       ALA  25 -13.132   2.666  -2.679
  157   3HB   ALA  25          HB3       ALA  25 -14.716   3.398  -2.935
  158    H    GLN  26           H        GLN  26 -12.002   1.223  -5.711
  159    HA   GLN  26           HA       GLN  26 -12.071  -1.500  -4.739
  160   1HB   GLN  26          HB2       GLN  26 -10.396   0.120  -6.522
  161   2HB   GLN  26          HB1       GLN  26  -9.476  -1.065  -5.596
  162   1HG   GLN  26          HG2       GLN  26 -10.118  -2.435  -7.327
  163   2HG   GLN  26          HG1       GLN  26 -11.552  -2.613  -6.315
  164   1HE2  GLN  26          1HE2      GLN  26 -11.139  -2.549  -9.396
  165   2HE2  GLN  26          2HE2      GLN  26 -12.294  -1.422  -9.926
  166    H    CYS  27           H        CYS  27 -11.153   1.384  -3.276
  167    HA   CYS  27           HA       CYS  27 -10.158   0.029  -0.931
  168   1HB   CYS  27          HB2       CYS  27  -7.853   0.872  -0.968
  169   2HB   CYS  27          HB1       CYS  27  -8.138  -0.152  -2.374
  170    H    GLY  28           H        GLY  28  -9.790   1.556   0.822
  171   1HA   GLY  28          HA2       GLY  28 -11.128   4.159   0.312
  172   2HA   GLY  28          HA1       GLY  28 -10.918   3.412   1.896
  173    H    GLU  29           H        GLU  29  -8.094   2.725   1.259
  174    HA   GLU  29           HA       GLU  29  -6.685   5.197   0.739
  175   1HB   GLU  29          HB2       GLU  29  -5.905   5.668   2.969
  176   2HB   GLU  29          HB1       GLU  29  -7.663   5.590   3.029
  177   1HG   GLU  29          HG2       GLU  29  -7.594   3.889   4.493
  178   2HG   GLU  29          HG1       GLU  29  -6.547   2.956   3.424
  179    H    GLY  30           H        GLY  30  -4.257   4.853   1.470
  180   1HA   GLY  30          HA2       GLY  30  -2.992   2.545   2.145
  181   2HA   GLY  30          HA1       GLY  30  -3.506   2.180   0.499
  182    H    LEU  31           H        LEU  31  -0.843   2.175   0.815
  183    HA   LEU  31           HA       LEU  31   0.396   4.775   0.512
  184   1HB   LEU  31          HB2       LEU  31   1.365   1.961  -0.054
  185   2HB   LEU  31          HB1       LEU  31   2.377   3.387  -0.283
  186    HG   LEU  31           HG       LEU  31   1.148   2.395   2.294
  187   1HD1  LEU  31          1HD1      LEU  31   4.007   2.999   1.488
  188   2HD1  LEU  31          2HD1      LEU  31   3.299   1.386   1.575
  189   3HD1  LEU  31          3HD1      LEU  31   3.483   2.349   3.040
  190   1HD2  LEU  31          1HD2      LEU  31   2.422   5.056   1.616
  191   2HD2  LEU  31          2HD2      LEU  31   2.303   4.452   3.269
  192   3HD2  LEU  31          3HD2      LEU  31   0.839   4.770   2.340
  193    H    CYS  32           H        CYS  32  -1.071   2.482  -1.674
  194    HA   CYS  32           HA       CYS  32  -0.428   4.350  -3.914
  195   1HB   CYS  32          HB2       CYS  32  -0.359   1.320  -3.959
  196   2HB   CYS  32          HB1       CYS  32  -0.293   2.331  -5.402
  197    H    CYS  33           H        CYS  33  -2.698   4.969  -2.938
  198    HA   CYS  33           HA       CYS  33  -4.709   3.695  -4.708
  199   1HB   CYS  33          HB2       CYS  33  -4.633   3.415  -1.811
  200   2HB   CYS  33          HB1       CYS  33  -6.118   4.208  -2.339
  201    H    GLU  34           H        GLU  34  -5.584   5.356  -5.838
  202    HA   GLU  34           HA       GLU  34  -5.831   8.000  -4.457
  203   1HB   GLU  34          HB2       GLU  34  -5.549   7.523  -7.439
  204   2HB   GLU  34          HB1       GLU  34  -5.508   9.075  -6.602
  205   1HG   GLU  34          HG2       GLU  34  -3.494   8.192  -5.318
  206   2HG   GLU  34          HG1       GLU  34  -3.469   6.844  -6.456
  207    H    GLN  35           H        GLN  35  -7.852   8.911  -4.432
  208    HA   GLN  35           HA       GLN  35 -10.157   9.140  -4.803
  209   1HB   GLN  35          HB2       GLN  35  -9.805   7.425  -7.265
  210   2HB   GLN  35          HB1       GLN  35 -10.998   8.693  -6.978
  211   1HG   GLN  35          HG2       GLN  35  -8.691  10.101  -6.649
  212   2HG   GLN  35          HG1       GLN  35  -8.180   8.919  -7.854
  213   1HE2  GLN  35          1HE2      GLN  35  -9.224  11.981  -7.793
  214   2HE2  GLN  35          2HE2      GLN  35 -10.194  12.023  -9.186
  215    H    CYS  36           H        CYS  36  -8.978   6.852  -3.330
  216    HA   CYS  36           HA       CYS  36  -9.759   4.899  -2.290
  217   1HB   CYS  36          HB2       CYS  36 -12.359   5.779  -3.584
  218   2HB   CYS  36          HB1       CYS  36 -12.218   4.506  -2.371
  219    H    LYS  37           H        LYS  37  -8.680   4.876  -5.056
  220    HA   LYS  37           HA       LYS  37  -9.896   2.288  -5.921
  221   1HB   LYS  37          HB2       LYS  37  -9.360   4.765  -7.476
  222   2HB   LYS  37          HB1       LYS  37  -8.926   3.245  -8.261
  223   1HG   LYS  37          HG2       LYS  37 -11.512   3.034  -6.960
  224   2HG   LYS  37          HG1       LYS  37 -11.492   4.376  -8.103
  225   1HD   LYS  37          HD2       LYS  37 -10.193   2.466  -9.550
  226   2HD   LYS  37          HD1       LYS  37 -11.304   1.469  -8.610
  227   1HE   LYS  37          HE2       LYS  37 -12.680   3.814  -9.580
  228   2HE   LYS  37          HE1       LYS  37 -11.905   2.975 -10.924
  229   1HZ   LYS  37          HZ1       LYS  37 -13.723   1.764  -8.912
  230   2HZ   LYS  37          HZ2       LYS  37 -12.925   0.909 -10.145
  231   3HZ   LYS  37          HZ3       LYS  37 -14.093   2.079 -10.538
  232    H    PHE  38           H        PHE  38  -8.329   0.879  -7.065
  233    HA   PHE  38           HA       PHE  38  -5.773   0.842  -5.738
  234   1HB   PHE  38          HB2       PHE  38  -6.828  -0.679  -8.139
  235   2HB   PHE  38          HB1       PHE  38  -5.250  -0.984  -7.413
  236    HD1  PHE  38           HD1      PHE  38  -5.899  -0.568  -4.524
  237    HD2  PHE  38           HD2      PHE  38  -8.047  -2.638  -7.614
  238    HE1  PHE  38           HE1      PHE  38  -6.968  -2.011  -2.814
  239    HE2  PHE  38           HE2      PHE  38  -9.116  -4.080  -5.904
  240    HZ   PHE  38           HZ       PHE  38  -8.576  -3.767  -3.503
  241    H    SER  39           H        SER  39  -4.061   2.104  -6.234
  242    HA   SER  39           HA       SER  39  -3.916   3.927  -8.371
  243   1HB   SER  39          HB2       SER  39  -1.651   4.259  -7.763
  244   2HB   SER  39          HB1       SER  39  -2.412   3.717  -6.271
  245    HG   SER  39           HG       SER  39  -1.747   1.549  -6.979
  246    H    ARG  40           H        ARG  40  -1.658   3.590  -9.833
  247    HA   ARG  40           HA       ARG  40  -2.235   1.111 -11.402
  248   1HB   ARG  40          HB2       ARG  40  -1.608   2.284 -13.378
  249   2HB   ARG  40          HB1       ARG  40  -2.606   3.425 -12.476
  250   1HG   ARG  40          HG2       ARG  40  -0.106   3.934 -11.451
  251   2HG   ARG  40          HG1       ARG  40   0.262   3.556 -13.134
  252   1HD   ARG  40          HD2       ARG  40  -1.089   5.306 -13.950
  253   2HD   ARG  40          HD1       ARG  40  -1.969   5.455 -12.429
  254    HE   ARG  40           HE       ARG  40   0.453   6.176 -11.573
  255   1HH1  ARG  40          1HH1      ARG  40  -1.657   8.128 -12.788
  256   2HH1  ARG  40          2HH1      ARG  40  -0.626   9.087 -13.797
  257   1HH2  ARG  40          1HH2      ARG  40   2.038   6.873 -13.635
  258   2HH2  ARG  40          2HH2      ARG  40   1.466   8.377 -14.275
  259    H    ALA  41           H        ALA  41  -0.460  -0.193 -12.001
  260    HA   ALA  41           HA       ALA  41   1.728  -0.453 -10.311
  261   1HB   ALA  41          HB1       ALA  41   0.898  -1.763 -12.555
  262   2HB   ALA  41          HB2       ALA  41   2.454  -2.049 -11.776
  263   3HB   ALA  41          HB3       ALA  41   2.348  -0.963 -13.162
  264    H    GLY  42           H        GLY  42   4.104   0.024 -10.896
  265   1HA   GLY  42          HA2       GLY  42   5.767   1.592 -11.530
  266   2HA   GLY  42          HA1       GLY  42   4.578   2.350 -12.586
  267    H    LYS  43           H        LYS  43   3.773   1.727  -9.255
  268    HA   LYS  43           HA       LYS  43   3.831   4.683  -8.785
  269   1HB   LYS  43          HB2       LYS  43   1.601   3.877  -8.539
  270   2HB   LYS  43          HB1       LYS  43   2.132   2.468  -7.624
  271   1HG   LYS  43          HG2       LYS  43   1.166   4.149  -6.113
  272   2HG   LYS  43          HG1       LYS  43   2.890   3.956  -5.793
  273   1HD   LYS  43          HD2       LYS  43   3.435   6.017  -6.710
  274   2HD   LYS  43          HD1       LYS  43   2.028   6.030  -7.773
  275   1HE   LYS  43          HE2       LYS  43   0.750   6.055  -5.414
  276   2HE   LYS  43          HE1       LYS  43   2.249   6.836  -4.913
  277   1HZ   LYS  43          HZ1       LYS  43   0.260   8.191  -5.940
  278   2HZ   LYS  43          HZ2       LYS  43   1.005   7.739  -7.399
  279   3HZ   LYS  43          HZ3       LYS  43   1.873   8.623  -6.236
  280    H    ILE  44           H        ILE  44   5.393   5.392  -7.434
  281    HA   ILE  44           HA       ILE  44   7.039   3.513  -5.959
  282    HB   ILE  44           HB       ILE  44   8.013   5.541  -6.928
  283   1HG1  ILE  44          2HG1      ILE  44   8.973   6.495  -4.696
  284   2HG1  ILE  44          1HG1      ILE  44   8.023   5.221  -3.930
  285   1HG2  ILE  44          1HG2      ILE  44   5.680   6.734  -5.910
  286   2HG2  ILE  44          2HG2      ILE  44   7.008   7.545  -6.741
  287   3HG2  ILE  44          3HG2      ILE  44   7.005   7.437  -4.981
  288   1HD1  ILE  44          1HD1      ILE  44  10.559   4.858  -4.845
  289   2HD1  ILE  44          2HD1      ILE  44   9.634   4.373  -6.266
  290   3HD1  ILE  44          3HD1      ILE  44   9.372   3.559  -4.723
  291    H    CYS  45           H        CYS  45   6.625   2.761  -3.954
  292    HA   CYS  45           HA       CYS  45   4.665   4.264  -2.261
  293   1HB   CYS  45          HB2       CYS  45   4.490   2.012  -1.057
  294   2HB   CYS  45          HB1       CYS  45   3.827   2.075  -2.688
  295    H    ARG  46           H        ARG  46   7.935   3.275  -2.535
  296    HA   ARG  46           HA       ARG  46   8.548   4.531   0.053
  297   1HB   ARG  46          HB2       ARG  46   9.216   1.630  -0.534
  298   2HB   ARG  46          HB1       ARG  46   9.915   2.559   0.792
  299   1HG   ARG  46          HG2       ARG  46   7.494   3.051   1.503
  300   2HG   ARG  46          HG1       ARG  46   7.030   1.760   0.394
  301   1HD   ARG  46          HD2       ARG  46   7.596   0.207   1.917
  302   2HD   ARG  46          HD1       ARG  46   9.233   0.858   2.001
  303    HE   ARG  46           HE       ARG  46   8.376   2.438   3.753
  304   1HH1  ARG  46          1HH2      ARG  46   5.560   1.141   2.800
  305   2HH1  ARG  46          2HH2      ARG  46   5.112   0.425   4.313
  306   1HH2  ARG  46          1HH1      ARG  46   8.231   0.882   5.755
  307   2HH2  ARG  46          2HH1      ARG  46   6.624   0.280   5.986
  308    H    ILE  47           H        ILE  47  11.052   4.569   0.307
  309    HA   ILE  47           HA       ILE  47  12.294   4.687  -2.409
  310    HB   ILE  47           HB       ILE  47  11.672   6.927  -1.239
  311   1HG1  ILE  47          2HG1      ILE  47  14.578   6.693  -2.001
  312   2HG1  ILE  47          1HG1      ILE  47  13.308   6.450  -3.201
  313   1HG2  ILE  47          1HG2      ILE  47  14.204   6.198   0.265
  314   2HG2  ILE  47          2HG2      ILE  47  12.594   6.299   0.976
  315   3HG2  ILE  47          3HG2      ILE  47  13.367   7.748   0.337
  316   1HD1  ILE  47          1HD1      ILE  47  14.206   8.937  -1.897
  317   2HD1  ILE  47          2HD1      ILE  47  12.455   8.743  -1.964
  318   3HD1  ILE  47          3HD1      ILE  47  13.404   8.707  -3.450
  319    HA   PRO  48           HA       PRO  48  15.357   2.135  -0.518
  320   1HB   PRO  48          HB2       PRO  48  17.208   2.286  -2.545
  321   2HB   PRO  48          HB1       PRO  48  15.742   1.295  -2.630
  322   1HG   PRO  48          HG2       PRO  48  16.345   3.868  -4.002
  323   2HG   PRO  48          HG1       PRO  48  15.226   2.579  -4.476
  324   1HD   PRO  48          HD2       PRO  48  14.526   5.041  -3.247
  325   2HD   PRO  48          HD1       PRO  48  13.460   3.640  -3.472
  326    H    ARG  49           H        ARG  49  17.467   2.350   0.483
  327    HA   ARG  49           HA       ARG  49  18.336   5.188   0.751
  328   1HB   ARG  49          HB2       ARG  49  18.488   2.775   2.535
  329   2HB   ARG  49          HB1       ARG  49  19.635   4.097   2.757
  330   1HG   ARG  49          HG2       ARG  49  17.938   4.856   4.125
  331   2HG   ARG  49          HG1       ARG  49  17.404   5.560   2.599
  332   1HD   ARG  49          HD2       ARG  49  15.582   4.218   2.490
  333   2HD   ARG  49          HD1       ARG  49  16.501   2.791   2.969
  334    HE   ARG  49           HE       ARG  49  15.950   4.687   5.147
  335   1HH1  ARG  49          1HH2      ARG  49  14.465   2.296   3.205
  336   2HH1  ARG  49          2HH2      ARG  49  13.716   1.473   4.534
  337   1HH2  ARG  49          1HH1      ARG  49  15.207   3.461   6.952
  338   2HH2  ARG  49          2HH1      ARG  49  14.135   2.133   6.654
  339    H    GLY  50           H        GLY  50  19.116   2.757  -1.197
  340   1HA   GLY  50          HA2       GLY  50  21.336   3.411  -2.409
  341   2HA   GLY  50          HA1       GLY  50  22.066   3.032  -0.848
  342    H    GLU  51           H        GLU  51  22.529   1.678  -3.410
  343    HA   GLU  51           HA       GLU  51  22.488  -0.484  -4.363
  344   1HB   GLU  51          HB2       GLU  51  23.286  -2.168  -2.828
  345   2HB   GLU  51          HB1       GLU  51  24.025  -0.634  -2.366
  346   1HG   GLU  51          HG2       GLU  51  22.567  -0.360  -0.514
  347   2HG   GLU  51          HG1       GLU  51  21.452  -1.591  -1.106
  348    H    MET  52           H        MET  52  19.814   0.622  -3.620
  349    HA   MET  52           HA       MET  52  18.401  -1.991  -3.538
  350   1HB   MET  52          HB2       MET  52  17.810   0.399  -1.774
  351   2HB   MET  52          HB1       MET  52  16.692  -0.947  -1.998
  352   1HG   MET  52          HG2       MET  52  19.533  -1.517  -1.212
  353   2HG   MET  52          HG1       MET  52  18.386  -0.984   0.017
  354   1HE   MET  52          HE1       MET  52  20.155  -3.375  -0.453
  355   2HE   MET  52          HE2       MET  52  19.638  -4.325  -1.844
  356   3HE   MET  52          HE3       MET  52  19.293  -4.903  -0.216
  357    HA   PRO  53           HA       PRO  53  16.189  -0.048  -6.826
  358   1HB   PRO  53          HB2       PRO  53  14.139  -1.873  -6.994
  359   2HB   PRO  53          HB1       PRO  53  15.770  -2.170  -7.621
  360   1HG   PRO  53          HG2       PRO  53  14.479  -3.258  -5.159
  361   2HG   PRO  53          HG1       PRO  53  15.759  -3.963  -6.162
  362   1HD   PRO  53          HD2       PRO  53  16.143  -2.665  -3.685
  363   2HD   PRO  53          HD1       PRO  53  17.412  -3.040  -4.872
  364    H    ASP  54           H        ASP  54  14.222   1.154  -7.163
  365    HA   ASP  54           HA       ASP  54  13.012   2.200  -4.741
  366   1HB   ASP  54          HB2       ASP  54  12.217   2.590  -7.644
  367   2HB   ASP  54          HB1       ASP  54  11.678   3.577  -6.284
  368    H    ASP  55           H        ASP  55  10.998   1.724  -3.873
  369    HA   ASP  55           HA       ASP  55   9.753  -0.782  -4.620
  370   1HB   ASP  55          HB2       ASP  55   8.660   1.428  -2.848
  371   2HB   ASP  55          HB1       ASP  55   8.111  -0.248  -2.890
  372    H    ARG  56           H        ARG  56   7.973  -1.107  -5.935
  373    HA   ARG  56           HA       ARG  56   6.554   1.298  -6.997
  374   1HB   ARG  56          HB2       ARG  56   8.463   0.260  -8.486
  375   2HB   ARG  56          HB1       ARG  56   7.259  -0.989  -8.810
  376   1HG   ARG  56          HG2       ARG  56   6.273   0.363 -10.295
  377   2HG   ARG  56          HG1       ARG  56   5.948   1.528  -9.010
  378   1HD   ARG  56          HD2       ARG  56   7.260   2.563 -10.832
  379   2HD   ARG  56          HD1       ARG  56   8.181   2.518  -9.329
  380    HE   ARG  56           HE       ARG  56   8.926   0.181 -10.596
  381   1HH1  ARG  56          1HH1      ARG  56   8.361   1.483 -13.198
  382   2HH1  ARG  56          2HH1      ARG  56   9.854   2.285 -13.555
  383   1HH2  ARG  56          1HH2      ARG  56  11.048   2.080 -10.307
  384   2HH2  ARG  56          2HH2      ARG  56  11.375   2.624 -11.917
  385    H    CYS  57           H        CYS  57   4.463   0.955  -6.372
  386    HA   CYS  57           HA       CYS  57   3.372  -1.601  -5.725
  387   1HB   CYS  57          HB2       CYS  57   1.976   0.963  -6.561
  388   2HB   CYS  57          HB1       CYS  57   1.153  -0.455  -5.908
  389    H    THR  58           H        THR  58   1.977  -2.953  -6.945
  390    HA   THR  58           HA       THR  58   2.572  -2.994  -9.808
  391    HB   THR  58           HB       THR  58   1.736  -5.166  -9.786
  392    HG1  THR  58           HG1      THR  58  -0.240  -5.299  -9.126
  393   1HG2  THR  58          1HG2      THR  58   3.381  -4.467  -7.722
  394   2HG2  THR  58          2HG2      THR  58   2.911  -6.126  -8.091
  395   3HG2  THR  58          3HG2      THR  58   2.046  -5.221  -6.850
  396    H    GLY  59           H        GLY  59   0.538  -1.101  -8.180
  397   1HA   GLY  59          HA2       GLY  59  -1.188   0.250  -9.128
  398   2HA   GLY  59          HA1       GLY  59  -1.286  -0.877 -10.482
  399    H    GLN  60           H        GLN  60  -1.664  -3.282  -9.116
  400    HA   GLN  60           HA       GLN  60  -4.467  -2.959  -8.289
  401   1HB   GLN  60          HB2       GLN  60  -2.706  -5.399  -8.653
  402   2HB   GLN  60          HB1       GLN  60  -4.405  -5.473  -8.184
  403   1HG   GLN  60          HG2       GLN  60  -4.553  -3.826 -10.350
  404   2HG   GLN  60          HG1       GLN  60  -3.202  -4.860 -10.816
  405   1HE2  GLN  60          1HE2      GLN  60  -4.803  -5.715 -12.496
  406   2HE2  GLN  60          2HE2      GLN  60  -5.894  -6.926 -12.018
  407    H    SER  61           H        SER  61  -1.443  -2.993  -6.760
  408    HA   SER  61           HA       SER  61  -2.557  -4.076  -4.223
  409   1HB   SER  61          HB2       SER  61   0.257  -3.073  -4.502
  410   2HB   SER  61          HB1       SER  61  -0.365  -4.383  -3.503
  411    HG   SER  61           HG       SER  61   0.099  -5.667  -5.088
  412    H    ALA  62           H        ALA  62  -3.750  -2.491  -3.218
  413    HA   ALA  62           HA       ALA  62  -3.332   0.310  -3.443
  414   1HB   ALA  62          HB1       ALA  62  -4.509  -1.181  -1.077
  415   2HB   ALA  62          HB2       ALA  62  -5.403  -0.754  -2.536
  416   3HB   ALA  62          HB3       ALA  62  -4.777   0.515  -1.483
  417    H    ASP  63           H        ASP  63  -2.334  -1.905  -0.807
  418    HA   ASP  63           HA       ASP  63  -0.675   0.175   0.413
  419   1HB   ASP  63          HB2       ASP  63  -0.916  -2.798   0.973
  420   2HB   ASP  63          HB1       ASP  63   0.014  -1.665   1.954
  421    H    CYS  64           H        CYS  64   1.683  -1.065   1.067
  422    HA   CYS  64           HA       CYS  64   2.865  -1.854  -1.561
  423   1HB   CYS  64          HB2       CYS  64   3.421   0.484  -1.155
  424   2HB   CYS  64          HB1       CYS  64   4.017   0.091   0.455
  425    HA   PRO  65           HA       PRO  65   4.338  -5.115   1.036
  426   1HB   PRO  65          HB2       PRO  65   5.276  -6.588  -1.070
  427   2HB   PRO  65          HB1       PRO  65   3.581  -6.568  -0.586
  428   1HG   PRO  65          HG2       PRO  65   4.890  -5.333  -2.946
  429   2HG   PRO  65          HG1       PRO  65   3.190  -5.773  -2.710
  430   1HD   PRO  65          HD2       PRO  65   4.310  -3.163  -2.527
  431   2HD   PRO  65          HD1       PRO  65   2.659  -3.644  -2.088
  432    H    ARG  66           H        ARG  66   6.618  -6.525   0.522
  433    HA   ARG  66           HA       ARG  66   8.763  -4.518   0.009
  434   1HB   ARG  66          HB2       ARG  66   8.464  -6.308   2.431
  435   2HB   ARG  66          HB1       ARG  66  10.012  -5.599   1.967
  436   1HG   ARG  66          HG2       ARG  66   9.344  -3.453   2.489
  437   2HG   ARG  66          HG1       ARG  66   7.648  -3.780   2.130
  438   1HD   ARG  66          HD2       ARG  66   8.502  -5.444   4.321
  439   2HD   ARG  66          HD1       ARG  66   8.895  -3.761   4.673
  440    HE   ARG  66           HE       ARG  66   6.296  -3.632   3.743
  441   1HH1  ARG  66          1HH1      ARG  66   8.061  -5.016   6.341
  442   2HH1  ARG  66          2HH1      ARG  66   6.657  -5.359   7.295
  443   1HH2  ARG  66          1HH2      ARG  66   4.425  -4.252   4.886
  444   2HH2  ARG  66          2HH2      ARG  66   4.599  -4.925   6.472
  445    H    TYR  67           H        TYR  67  10.584  -5.395  -1.003
  446    HA   TYR  67           HA       TYR  67  10.334  -8.267  -1.787
  447   1HB   TYR  67          HB2       TYR  67  12.104  -7.417  -3.560
  448   2HB   TYR  67          HB1       TYR  67  10.386  -7.099  -3.797
  449    HD1  TYR  67           HD2      TYR  67  13.627  -5.637  -2.818
  450    HD2  TYR  67           HD1      TYR  67   9.453  -4.873  -3.485
  451    HE1  TYR  67           HE2      TYR  67  14.071  -3.197  -2.794
  452    HE2  TYR  67           HE1      TYR  67   9.896  -2.432  -3.460
  453    HH   TYR  67           HH       TYR  67  11.576  -0.868  -3.632
  454    H    HIS  68           H        HIS  68  11.410  -9.101   0.084
  455    HA   HIS  68           HA       HIS  68  13.750  -8.243   1.297
  456   1HB   HIS  68          HB2       HIS  68  13.236 -11.145   0.604
  457   2HB   HIS  68          HB1       HIS  68  14.122 -10.514   1.992
  458    HD1  HIS  68           HD1      HIS  68  12.724  -9.421   3.913
  459    HD2  HIS  68           HD2      HIS  68  10.411 -11.082   0.868
  460    HE1  HIS  68           HE1      HIS  68  10.351  -9.528   4.791
  Start of MODEL   13
    1   1H    GLY   1          HT1       GLY   1 -12.376 -13.810   8.428
    2   2H    GLY   1          HT2       GLY   1 -11.637 -14.817   7.276
    3   3H    GLY   1          HT3       GLY   1 -12.125 -13.248   6.847
    4   1HA   GLY   1          HA1       GLY   1 -10.005 -13.907   8.818
    5   2HA   GLY   1          HA2       GLY   1  -9.725 -13.360   7.165
    6    H    LYS   2           H        LYS   2  -9.282 -11.214   7.070
    7    HA   LYS   2           HA       LYS   2  -9.955  -9.447   9.295
    8   1HB   LYS   2          HB2       LYS   2  -8.780  -8.828   6.565
    9   2HB   LYS   2          HB1       LYS   2  -8.860  -7.705   7.923
   10   1HG   LYS   2          HG2       LYS   2  -7.554  -9.421   9.271
   11   2HG   LYS   2          HG1       LYS   2  -7.286 -10.282   7.754
   12   1HD   LYS   2          HD2       LYS   2  -6.177  -8.344   6.792
   13   2HD   LYS   2          HD1       LYS   2  -6.548  -7.380   8.222
   14   1HE   LYS   2          HE2       LYS   2  -4.180  -8.499   7.996
   15   2HE   LYS   2          HE1       LYS   2  -5.005  -8.517   9.554
   16   1HZ   LYS   2          HZ1       LYS   2  -5.665 -10.719   9.261
   17   2HZ   LYS   2          HZ2       LYS   2  -4.057 -10.698   8.711
   18   3HZ   LYS   2          HZ3       LYS   2  -5.340 -10.705   7.597
   19    H    GLU   3           H        GLU   3 -11.750  -8.167   9.438
   20    HA   GLU   3           HA       GLU   3 -13.583  -8.128   7.083
   21   1HB   GLU   3          HB2       GLU   3 -14.206  -8.903   9.558
   22   2HB   GLU   3          HB1       GLU   3 -14.442  -7.168   9.780
   23   1HG   GLU   3          HG2       GLU   3 -16.045  -7.080   7.983
   24   2HG   GLU   3          HG1       GLU   3 -15.683  -8.739   7.507
   25    H    CYS   4           H        CYS   4 -11.436  -6.385   6.880
   26    HA   CYS   4           HA       CYS   4 -12.874  -3.815   6.956
   27   1HB   CYS   4          HB2       CYS   4 -11.617  -3.940   9.120
   28   2HB   CYS   4          HB1       CYS   4 -10.122  -4.084   8.197
   29    H    ASP   5           H        ASP   5 -12.371  -2.591   5.173
   30    HA   ASP   5           HA       ASP   5 -10.269  -3.677   3.368
   31   1HB   ASP   5          HB2       ASP   5 -12.829  -3.062   2.786
   32   2HB   ASP   5          HB1       ASP   5 -12.084  -1.493   2.472
   33    H    CYS   6           H        CYS   6 -11.164  -0.839   5.213
   34    HA   CYS   6           HA       CYS   6  -8.811   0.617   4.097
   35   1HB   CYS   6          HB2       CYS   6  -9.828   2.639   4.912
   36   2HB   CYS   6          HB1       CYS   6 -11.105   1.720   4.121
   37    H    SER   7           H        SER   7  -7.780   2.084   5.970
   38    HA   SER   7           HA       SER   7  -7.342   0.244   8.289
   39   1HB   SER   7          HB2       SER   7  -5.344   0.573   6.857
   40   2HB   SER   7          HB1       SER   7  -5.456   2.311   7.112
   41    HG   SER   7           HG       SER   7  -4.287   0.489   8.644
   42    H    SER   8           H        SER   8  -9.369   2.459   7.926
   43    HA   SER   8           HA       SER   8  -8.780   3.801  10.489
   44   1HB   SER   8          HB2       SER   8  -9.767   5.924   9.065
   45   2HB   SER   8          HB1       SER   8  -8.058   5.656   9.392
   46    HG   SER   8           HG       SER   8  -7.920   4.561   7.409
   47    HA   PRO   9           HA       PRO   9 -13.126   2.949  10.751
   48   1HB   PRO   9          HB2       PRO   9 -13.494   4.068  13.236
   49   2HB   PRO   9          HB1       PRO   9 -12.761   2.474  12.979
   50   1HG   PRO   9          HG2       PRO   9 -11.449   5.044  13.730
   51   2HG   PRO   9          HG1       PRO   9 -10.930   3.382  14.057
   52   1HD   PRO   9          HD2       PRO   9  -9.891   5.079  12.042
   53   2HD   PRO   9          HD1       PRO   9  -9.621   3.328  12.177
   54    H    GLU  10           H        GLU  10 -11.789   6.168  11.411
   55    HA   GLU  10           HA       GLU  10 -14.371   7.507  11.113
   56   1HB   GLU  10          HB2       GLU  10 -11.576   8.292  11.691
   57   2HB   GLU  10          HB1       GLU  10 -12.524   9.491  10.810
   58   1HG   GLU  10          HG2       GLU  10 -13.561  10.067  12.719
   59   2HG   GLU  10          HG1       GLU  10 -14.187   8.424  12.867
   60    H    ASN  11           H        ASN  11 -12.395   6.003   8.940
   61    HA   ASN  11           HA       ASN  11 -12.452   7.970   6.791
   62   1HB   ASN  11          HB2       ASN  11 -10.756   6.082   7.066
   63   2HB   ASN  11          HB1       ASN  11 -12.029   4.987   6.528
   64   1HD2  ASN  11          1HD2      ASN  11  -9.388   6.330   5.281
   65   2HD2  ASN  11          2HD2      ASN  11  -9.908   6.707   3.711
   66    HA   PRO  12           HA       PRO  12 -16.661   6.915   5.754
   67   1HB   PRO  12          HB2       PRO  12 -16.878   8.714   3.687
   68   2HB   PRO  12          HB1       PRO  12 -17.015   9.163   5.396
   69   1HG   PRO  12          HG2       PRO  12 -14.758   9.638   3.508
   70   2HG   PRO  12          HG1       PRO  12 -15.218  10.545   4.958
   71   1HD   PRO  12          HD2       PRO  12 -13.109   8.659   4.772
   72   2HD   PRO  12          HD1       PRO  12 -13.777   9.341   6.270
   73    H    CYS  13           H        CYS  13 -13.905   6.782   3.596
   74    HA   CYS  13           HA       CYS  13 -15.261   5.730   1.298
   75   1HB   CYS  13          HB2       CYS  13 -12.787   6.611   1.605
   76   2HB   CYS  13          HB1       CYS  13 -12.447   4.911   1.937
   77    H    CYS  14           H        CYS  14 -14.722   4.377   4.360
   78    HA   CYS  14           HA       CYS  14 -15.404   1.692   3.260
   79   1HB   CYS  14          HB2       CYS  14 -13.924   0.640   4.945
   80   2HB   CYS  14          HB1       CYS  14 -13.013   1.654   3.826
   81    H    ASP  15           H        ASP  15 -17.299   1.069   4.111
   82    HA   ASP  15           HA       ASP  15 -18.759   2.399   6.088
   83   1HB   ASP  15          HB2       ASP  15 -19.335   0.339   4.493
   84   2HB   ASP  15          HB1       ASP  15 -18.984  -0.580   5.956
   85    H    ALA  16           H        ALA  16 -18.499   2.596   8.254
   86    HA   ALA  16           HA       ALA  16 -16.302   1.328   9.629
   87   1HB   ALA  16          HB1       ALA  16 -18.485   2.391  11.302
   88   2HB   ALA  16          HB2       ALA  16 -17.873   3.534  10.105
   89   3HB   ALA  16          HB3       ALA  16 -16.774   2.818  11.283
   90    H    ALA  17           H        ALA  17 -19.784   0.703   9.449
   91    HA   ALA  17           HA       ALA  17 -20.103  -1.132  11.538
   92   1HB   ALA  17          HB1       ALA  17 -21.461  -2.195   9.261
   93   2HB   ALA  17          HB2       ALA  17 -21.521  -0.436   9.149
   94   3HB   ALA  17          HB3       ALA  17 -22.141  -1.250  10.586
   95    H    THR  18           H        THR  18 -19.026  -1.843   8.199
   96    HA   THR  18           HA       THR  18 -17.974  -4.446   9.225
   97    HB   THR  18           HB       THR  18 -19.448  -4.952   7.457
   98    HG1  THR  18           HG1      THR  18 -17.964  -6.038   6.483
   99   1HG2  THR  18          1HG2      THR  18 -18.958  -3.548   5.211
  100   2HG2  THR  18          2HG2      THR  18 -18.504  -2.336   6.408
  101   3HG2  THR  18          3HG2      THR  18 -20.128  -3.024   6.422
  102    H    CYS  19           H        CYS  19 -16.894  -1.438   8.814
  103    HA   CYS  19           HA       CYS  19 -14.809  -0.476   8.302
  104   1HB   CYS  19          HB2       CYS  19 -14.357  -2.409  10.047
  105   2HB   CYS  19          HB1       CYS  19 -13.569  -3.184   8.673
  106    H    LYS  20           H        LYS  20 -16.363  -2.065   6.151
  107    HA   LYS  20           HA       LYS  20 -14.040  -2.551   4.331
  108   1HB   LYS  20          HB2       LYS  20 -16.805  -3.749   4.455
  109   2HB   LYS  20          HB1       LYS  20 -15.840  -3.831   2.980
  110   1HG   LYS  20          HG2       LYS  20 -14.068  -4.580   5.016
  111   2HG   LYS  20          HG1       LYS  20 -15.582  -5.383   5.431
  112   1HD   LYS  20          HD2       LYS  20 -15.347  -6.855   3.743
  113   2HD   LYS  20          HD1       LYS  20 -15.077  -5.556   2.580
  114   1HE   LYS  20          HE2       LYS  20 -12.842  -5.879   2.597
  115   2HE   LYS  20          HE1       LYS  20 -12.792  -5.927   4.360
  116   1HZ   LYS  20          HZ1       LYS  20 -13.693  -8.182   2.653
  117   2HZ   LYS  20          HZ2       LYS  20 -13.450  -8.206   4.334
  118   3HZ   LYS  20          HZ3       LYS  20 -12.126  -8.034   3.284
  119    H    LEU  21           H        LEU  21 -14.413  -1.931   2.042
  120    HA   LEU  21           HA       LEU  21 -15.109   0.758   1.705
  121   1HB   LEU  21          HB2       LEU  21 -14.929  -1.562  -0.190
  122   2HB   LEU  21          HB1       LEU  21 -15.494   0.005  -0.773
  123    HG   LEU  21           HG       LEU  21 -13.094   0.162   0.922
  124   1HD1  LEU  21          1HD1      LEU  21 -13.120  -1.985  -0.795
  125   2HD1  LEU  21          2HD1      LEU  21 -11.666  -1.143  -0.259
  126   3HD1  LEU  21          3HD1      LEU  21 -12.414  -0.719  -1.798
  127   1HD2  LEU  21          1HD2      LEU  21 -14.315   1.423  -1.448
  128   2HD2  LEU  21          2HD2      LEU  21 -12.555   1.319  -1.512
  129   3HD2  LEU  21          3HD2      LEU  21 -13.342   2.145  -0.167
  130    H    ARG  22           H        ARG  22 -17.001   1.842   1.472
  131    HA   ARG  22           HA       ARG  22 -19.507   0.290   1.647
  132   1HB   ARG  22          HB2       ARG  22 -18.648   2.808   2.623
  133   2HB   ARG  22          HB1       ARG  22 -19.950   3.127   1.476
  134   1HG   ARG  22          HG2       ARG  22 -20.757   0.870   2.982
  135   2HG   ARG  22          HG1       ARG  22 -20.127   2.042   4.141
  136   1HD   ARG  22          HD2       ARG  22 -21.549   3.787   2.903
  137   2HD   ARG  22          HD1       ARG  22 -22.353   2.420   2.132
  138    HE   ARG  22           HE       ARG  22 -23.119   1.708   4.365
  139   1HH1  ARG  22          1HH2      ARG  22 -20.943   4.256   4.766
  140   2HH1  ARG  22          2HH2      ARG  22 -21.893   5.105   5.939
  141   1HH2  ARG  22          1HH1      ARG  22 -24.651   3.029   5.596
  142   2HH2  ARG  22          2HH1      ARG  22 -23.995   4.411   6.407
  143    HA   PRO  23           HA       PRO  23 -20.314   2.679  -2.394
  144   1HB   PRO  23          HB2       PRO  23 -18.336   4.325  -3.360
  145   2HB   PRO  23          HB1       PRO  23 -19.589   4.860  -2.228
  146   1HG   PRO  23          HG2       PRO  23 -16.710   4.316  -1.713
  147   2HG   PRO  23          HG1       PRO  23 -17.829   5.368  -0.830
  148   1HD   PRO  23          HD2       PRO  23 -16.987   2.767  -0.056
  149   2HD   PRO  23          HD1       PRO  23 -18.286   3.722   0.689
  150    H    GLY  24           H        GLY  24 -18.664   3.090  -4.697
  151   1HA   GLY  24          HA2       GLY  24 -17.787   0.309  -5.161
  152   2HA   GLY  24          HA1       GLY  24 -17.987   1.550  -6.397
  153    H    ALA  25           H        ALA  25 -16.207   2.258  -3.475
  154    HA   ALA  25           HA       ALA  25 -13.837   2.926  -5.025
  155   1HB   ALA  25          HB1       ALA  25 -13.955   4.325  -3.199
  156   2HB   ALA  25          HB2       ALA  25 -12.952   3.060  -2.488
  157   3HB   ALA  25          HB3       ALA  25 -14.687   3.094  -2.172
  158    H    GLN  26           H        GLN  26 -12.096   1.604  -5.430
  159    HA   GLN  26           HA       GLN  26 -12.213  -1.191  -4.696
  160   1HB   GLN  26          HB2       GLN  26 -10.611   0.504  -6.419
  161   2HB   GLN  26          HB1       GLN  26  -9.587  -0.609  -5.512
  162   1HG   GLN  26          HG2       GLN  26 -10.177  -2.234  -6.954
  163   2HG   GLN  26          HG1       GLN  26 -11.823  -2.121  -6.330
  164   1HE2  GLN  26          1HE2      GLN  26 -13.074  -2.189  -8.237
  165   2HE2  GLN  26          2HE2      GLN  26 -12.879  -1.117  -9.539
  166    H    CYS  27           H        CYS  27 -10.791   1.642  -3.276
  167    HA   CYS  27           HA       CYS  27  -9.948   0.041  -0.957
  168   1HB   CYS  27          HB2       CYS  27  -7.657   1.051  -0.965
  169   2HB   CYS  27          HB1       CYS  27  -7.927  -0.050  -2.315
  170    H    GLY  28           H        GLY  28 -10.150   1.245   0.914
  171   1HA   GLY  28          HA2       GLY  28 -11.331   3.903   0.648
  172   2HA   GLY  28          HA1       GLY  28 -11.079   3.036   2.162
  173    H    GLU  29           H        GLU  29  -8.218   2.551   1.541
  174    HA   GLU  29           HA       GLU  29  -6.938   5.134   1.211
  175   1HB   GLU  29          HB2       GLU  29  -8.010   5.196   3.546
  176   2HB   GLU  29          HB1       GLU  29  -6.827   3.975   4.000
  177   1HG   GLU  29          HG2       GLU  29  -5.020   5.533   3.187
  178   2HG   GLU  29          HG1       GLU  29  -6.261   6.764   2.962
  179    H    GLY  30           H        GLY  30  -4.544   4.918   1.505
  180   1HA   GLY  30          HA2       GLY  30  -3.075   2.702   2.230
  181   2HA   GLY  30          HA1       GLY  30  -3.649   2.290   0.613
  182    H    LEU  31           H        LEU  31  -0.958   2.504   0.877
  183    HA   LEU  31           HA       LEU  31   0.070   5.170   0.481
  184   1HB   LEU  31          HB2       LEU  31   1.126   2.414   0.380
  185   2HB   LEU  31          HB1       LEU  31   1.944   3.554  -0.687
  186    HG   LEU  31           HG       LEU  31   3.042   3.568   1.490
  187   1HD1  LEU  31          1HD1      LEU  31   3.139   5.882   1.743
  188   2HD1  LEU  31          2HD1      LEU  31   1.401   6.083   1.519
  189   3HD1  LEU  31          3HD1      LEU  31   2.438   5.747   0.131
  190   1HD2  LEU  31          1HD2      LEU  31   0.743   2.874   2.597
  191   2HD2  LEU  31          2HD2      LEU  31   0.543   4.618   2.783
  192   3HD2  LEU  31          3HD2      LEU  31   1.923   3.805   3.522
  193    H    CYS  32           H        CYS  32  -0.663   2.505  -1.790
  194    HA   CYS  32           HA       CYS  32  -0.397   4.484  -4.009
  195   1HB   CYS  32          HB2       CYS  32  -0.299   1.457  -4.000
  196   2HB   CYS  32          HB1       CYS  32  -0.291   2.435  -5.468
  197    H    CYS  33           H        CYS  33  -2.628   5.187  -3.143
  198    HA   CYS  33           HA       CYS  33  -4.660   3.856  -4.823
  199   1HB   CYS  33          HB2       CYS  33  -4.583   3.666  -1.907
  200   2HB   CYS  33          HB1       CYS  33  -6.086   4.384  -2.487
  201    H    GLU  34           H        GLU  34  -5.491   5.513  -5.992
  202    HA   GLU  34           HA       GLU  34  -5.714   8.182  -4.666
  203   1HB   GLU  34          HB2       GLU  34  -5.676   7.820  -7.651
  204   2HB   GLU  34          HB1       GLU  34  -5.197   9.224  -6.697
  205   1HG   GLU  34          HG2       GLU  34  -3.534   7.112  -5.836
  206   2HG   GLU  34          HG1       GLU  34  -3.574   7.006  -7.596
  207    H    GLN  35           H        GLN  35  -7.697   9.243  -4.803
  208    HA   GLN  35           HA       GLN  35 -10.013   9.446  -5.089
  209   1HB   GLN  35          HB2       GLN  35  -8.953   8.475  -7.600
  210   2HB   GLN  35          HB1       GLN  35 -10.559   7.803  -7.316
  211   1HG   GLN  35          HG2       GLN  35 -11.546   9.793  -7.698
  212   2HG   GLN  35          HG1       GLN  35 -10.453  10.615  -6.585
  213   1HE2  GLN  35          1HE2      GLN  35  -9.518   8.814  -9.539
  214   2HE2  GLN  35          2HE2      GLN  35  -8.862  10.159 -10.341
  215    H    CYS  36           H        CYS  36  -8.813   7.190  -3.559
  216    HA   CYS  36           HA       CYS  36  -9.606   5.308  -2.403
  217   1HB   CYS  36          HB2       CYS  36 -12.059   6.614  -3.456
  218   2HB   CYS  36          HB1       CYS  36 -12.219   4.927  -2.972
  219    H    LYS  37           H        LYS  37  -8.587   5.159  -5.208
  220    HA   LYS  37           HA       LYS  37  -9.845   2.538  -5.906
  221   1HB   LYS  37          HB2       LYS  37  -9.837   4.898  -7.479
  222   2HB   LYS  37          HB1       LYS  37  -8.676   3.797  -8.222
  223   1HG   LYS  37          HG2       LYS  37 -10.582   2.011  -7.825
  224   2HG   LYS  37          HG1       LYS  37 -11.622   3.434  -7.790
  225   1HD   LYS  37          HD2       LYS  37 -10.224   4.052  -9.978
  226   2HD   LYS  37          HD1       LYS  37 -10.035   2.301 -10.053
  227   1HE   LYS  37          HE2       LYS  37 -12.264   1.940 -10.461
  228   2HE   LYS  37          HE1       LYS  37 -12.773   3.317  -9.484
  229   1HZ   LYS  37          HZ1       LYS  37 -13.193   3.847 -11.740
  230   2HZ   LYS  37          HZ2       LYS  37 -11.635   3.371 -12.222
  231   3HZ   LYS  37          HZ3       LYS  37 -11.845   4.761 -11.268
  232    H    PHE  38           H        PHE  38  -8.341   1.074  -7.053
  233    HA   PHE  38           HA       PHE  38  -5.732   1.056  -5.818
  234   1HB   PHE  38          HB2       PHE  38  -7.062  -0.593  -7.962
  235   2HB   PHE  38          HB1       PHE  38  -5.357  -0.822  -7.573
  236    HD1  PHE  38           HD1      PHE  38  -5.163  -0.485  -4.728
  237    HD2  PHE  38           HD2      PHE  38  -8.302  -2.332  -7.003
  238    HE1  PHE  38           HE1      PHE  38  -5.783  -1.856  -2.758
  239    HE2  PHE  38           HE2      PHE  38  -8.924  -3.703  -5.033
  240    HZ   PHE  38           HZ       PHE  38  -7.663  -3.466  -2.909
  241    H    SER  39           H        SER  39  -3.956   2.156  -6.498
  242    HA   SER  39           HA       SER  39  -3.948   3.807  -8.828
  243   1HB   SER  39          HB2       SER  39  -1.474   2.710  -7.474
  244   2HB   SER  39          HB1       SER  39  -1.651   4.243  -8.323
  245    HG   SER  39           HG       SER  39  -3.468   4.370  -6.531
  246    H    ARG  40           H        ARG  40  -1.176   2.853  -9.693
  247    HA   ARG  40           HA       ARG  40  -2.022   0.402 -11.173
  248   1HB   ARG  40          HB2       ARG  40  -1.224   3.039 -12.246
  249   2HB   ARG  40          HB1       ARG  40  -0.402   1.664 -12.984
  250   1HG   ARG  40          HG2       ARG  40  -2.259   1.068 -14.110
  251   2HG   ARG  40          HG1       ARG  40  -3.225   1.100 -12.634
  252   1HD   ARG  40          HD2       ARG  40  -3.942   2.744 -14.444
  253   2HD   ARG  40          HD1       ARG  40  -3.650   3.447 -12.853
  254    HE   ARG  40           HE       ARG  40  -1.787   4.596 -13.756
  255   1HH1  ARG  40          1HH2      ARG  40  -0.408   2.267 -15.004
  256   2HH1  ARG  40          2HH2      ARG  40  -0.491   2.646 -16.692
  257   1HH2  ARG  40          1HH1      ARG  40  -2.976   5.033 -16.305
  258   2HH2  ARG  40          2HH1      ARG  40  -1.945   4.212 -17.429
  259    H    ALA  41           H        ALA  41  -0.307  -1.057 -11.615
  260    HA   ALA  41           HA       ALA  41   1.761  -1.314  -9.768
  261   1HB   ALA  41          HB1       ALA  41   1.131  -3.099 -11.348
  262   2HB   ALA  41          HB2       ALA  41   2.867  -2.797 -11.411
  263   3HB   ALA  41          HB3       ALA  41   1.816  -2.169 -12.679
  264    H    GLY  42           H        GLY  42   4.170  -1.080 -10.193
  265   1HA   GLY  42          HA2       GLY  42   6.018   0.261 -10.779
  266   2HA   GLY  42          HA1       GLY  42   5.062   0.883 -12.125
  267    H    LYS  43           H        LYS  43   3.613   1.018  -8.997
  268    HA   LYS  43           HA       LYS  43   3.790   3.976  -9.081
  269   1HB   LYS  43          HB2       LYS  43   1.575   3.075  -8.723
  270   2HB   LYS  43          HB1       LYS  43   2.150   2.075  -7.390
  271   1HG   LYS  43          HG2       LYS  43   1.009   4.130  -6.581
  272   2HG   LYS  43          HG1       LYS  43   2.702   4.072  -6.088
  273   1HD   LYS  43          HD2       LYS  43   3.134   5.991  -7.182
  274   2HD   LYS  43          HD1       LYS  43   2.496   5.315  -8.682
  275   1HE   LYS  43          HE2       LYS  43   0.176   5.831  -7.822
  276   2HE   LYS  43          HE1       LYS  43   0.935   6.703  -6.490
  277   1HZ   LYS  43          HZ1       LYS  43   1.007   7.321  -9.376
  278   2HZ   LYS  43          HZ2       LYS  43   2.187   7.935  -8.318
  279   3HZ   LYS  43          HZ3       LYS  43   0.549   8.325  -8.087
  280    H    ILE  44           H        ILE  44   5.307   5.005  -7.898
  281    HA   ILE  44           HA       ILE  44   7.019   3.609  -6.055
  282    HB   ILE  44           HB       ILE  44   6.739   6.375  -7.089
  283   1HG1  ILE  44          2HG1      ILE  44   8.325   4.665  -7.961
  284   2HG1  ILE  44          1HG1      ILE  44   9.154   6.104  -7.364
  285   1HG2  ILE  44          1HG2      ILE  44   7.948   5.774  -4.377
  286   2HG2  ILE  44          2HG2      ILE  44   6.746   7.003  -4.775
  287   3HG2  ILE  44          3HG2      ILE  44   8.410   7.182  -5.335
  288   1HD1  ILE  44          1HD1      ILE  44   9.522   3.410  -6.521
  289   2HD1  ILE  44          2HD1      ILE  44   8.790   4.285  -5.177
  290   3HD1  ILE  44          3HD1      ILE  44  10.301   4.859  -5.883
  291    H    CYS  45           H        CYS  45   6.610   3.119  -3.978
  292    HA   CYS  45           HA       CYS  45   4.533   4.715  -2.531
  293   1HB   CYS  45          HB2       CYS  45   4.528   2.529  -1.048
  294   2HB   CYS  45          HB1       CYS  45   3.611   2.579  -2.552
  295    H    ARG  46           H        ARG  46   7.823   3.760  -2.616
  296    HA   ARG  46           HA       ARG  46   8.355   5.287  -0.158
  297   1HB   ARG  46          HB2       ARG  46   8.722   2.325  -0.399
  298   2HB   ARG  46          HB1       ARG  46   9.951   3.245   0.469
  299   1HG   ARG  46          HG2       ARG  46   8.599   3.520   2.251
  300   2HG   ARG  46          HG1       ARG  46   7.274   4.085   1.232
  301   1HD   ARG  46          HD2       ARG  46   6.723   1.735   0.665
  302   2HD   ARG  46          HD1       ARG  46   8.021   1.187   1.726
  303    HE   ARG  46           HE       ARG  46   5.643   2.705   2.727
  304   1HH1  ARG  46          1HH1      ARG  46   5.350  -0.184   3.005
  305   2HH1  ARG  46          2HH1      ARG  46   6.060  -0.520   4.548
  306   1HH2  ARG  46          1HH2      ARG  46   7.756   2.498   4.720
  307   2HH2  ARG  46          2HH2      ARG  46   7.421   0.998   5.520
  308    H    ILE  47           H        ILE  47   9.764   6.714  -1.059
  309    HA   ILE  47           HA       ILE  47  11.753   5.694  -3.010
  310    HB   ILE  47           HB       ILE  47  10.277   7.703  -3.511
  311   1HG1  ILE  47          2HG1      ILE  47  12.414   7.181  -4.700
  312   2HG1  ILE  47          1HG1      ILE  47  12.076   8.909  -4.625
  313   1HG2  ILE  47          1HG2      ILE  47  10.645   9.758  -2.437
  314   2HG2  ILE  47          2HG2      ILE  47  12.192   9.239  -1.769
  315   3HG2  ILE  47          3HG2      ILE  47  10.686   8.603  -1.105
  316   1HD1  ILE  47          1HD1      ILE  47  14.214   7.340  -3.294
  317   2HD1  ILE  47          2HD1      ILE  47  13.478   8.620  -2.330
  318   3HD1  ILE  47          3HD1      ILE  47  14.235   9.004  -3.876
  319    HA   PRO  48           HA       PRO  48  14.578   5.985   0.497
  320   1HB   PRO  48          HB2       PRO  48  16.449   4.313  -0.624
  321   2HB   PRO  48          HB1       PRO  48  15.017   3.731   0.245
  322   1HG   PRO  48          HG2       PRO  48  15.554   3.745  -2.686
  323   2HG   PRO  48          HG1       PRO  48  14.498   2.680  -1.744
  324   1HD   PRO  48          HD2       PRO  48  13.664   4.883  -3.325
  325   2HD   PRO  48          HD1       PRO  48  12.670   3.998  -2.149
  326    H    ARG  49           H        ARG  49  16.265   7.470   0.706
  327    HA   ARG  49           HA       ARG  49  17.161   8.858  -1.728
  328   1HB   ARG  49          HB2       ARG  49  16.701   9.690   0.856
  329   2HB   ARG  49          HB1       ARG  49  18.462   9.577   0.812
  330   1HG   ARG  49          HG2       ARG  49  18.152  11.734   0.000
  331   2HG   ARG  49          HG1       ARG  49  18.169  10.816  -1.506
  332   1HD   ARG  49          HD2       ARG  49  15.512  10.682  -0.660
  333   2HD   ARG  49          HD1       ARG  49  15.996  12.340  -0.303
  334    HE   ARG  49           HE       ARG  49  15.324  11.537  -2.856
  335   1HH1  ARG  49          1HH1      ARG  49  17.650  13.417  -1.266
  336   2HH1  ARG  49          2HH1      ARG  49  18.555  13.795  -2.693
  337   1HH2  ARG  49          1HH2      ARG  49  16.729  11.668  -4.735
  338   2HH2  ARG  49          2HH2      ARG  49  18.036  12.803  -4.656
  339    H    GLY  50           H        GLY  50  18.803   7.940  -2.858
  340   1HA   GLY  50          HA2       GLY  50  21.405   7.742  -2.362
  341   2HA   GLY  50          HA1       GLY  50  20.856   6.365  -1.407
  342    H    GLU  51           H        GLU  51  21.130   4.497  -2.513
  343    HA   GLU  51           HA       GLU  51  20.488   4.497  -5.434
  344   1HB   GLU  51          HB2       GLU  51  22.286   2.637  -5.531
  345   2HB   GLU  51          HB1       GLU  51  22.846   4.305  -5.395
  346   1HG   GLU  51          HG2       GLU  51  23.287   4.077  -3.066
  347   2HG   GLU  51          HG1       GLU  51  22.384   2.565  -2.966
  348    H    MET  52           H        MET  52  18.957   3.732  -2.935
  349    HA   MET  52           HA       MET  52  18.799   0.834  -2.916
  350   1HB   MET  52          HB2       MET  52  17.532   3.073  -1.531
  351   2HB   MET  52          HB1       MET  52  16.379   1.795  -1.918
  352   1HG   MET  52          HG2       MET  52  18.178   0.176  -0.986
  353   2HG   MET  52          HG1       MET  52  18.894   1.616  -0.262
  354   1HE   MET  52          HE1       MET  52  17.438  -1.157   0.296
  355   2HE   MET  52          HE2       MET  52  15.689  -0.974   0.192
  356   3HE   MET  52          HE3       MET  52  16.469  -1.026   1.771
  357    HA   PRO  53           HA       PRO  53  15.938   0.153  -6.171
  358   1HB   PRO  53          HB2       PRO  53  14.309  -1.778  -5.086
  359   2HB   PRO  53          HB1       PRO  53  15.969  -2.087  -5.621
  360   1HG   PRO  53          HG2       PRO  53  14.910  -1.818  -2.844
  361   2HG   PRO  53          HG1       PRO  53  16.316  -2.725  -3.426
  362   1HD   PRO  53          HD2       PRO  53  16.399  -0.219  -2.127
  363   2HD   PRO  53          HD1       PRO  53  17.733  -0.965  -3.035
  364    H    ASP  54           H        ASP  54  14.357   1.593  -6.759
  365    HA   ASP  54           HA       ASP  54  12.637   2.940  -4.926
  366   1HB   ASP  54          HB2       ASP  54  11.885   2.525  -7.809
  367   2HB   ASP  54          HB1       ASP  54  11.676   3.960  -6.805
  368    H    ASP  55           H        ASP  55  10.978   2.055  -3.806
  369    HA   ASP  55           HA       ASP  55   9.890  -0.539  -4.388
  370   1HB   ASP  55          HB2       ASP  55   9.718   1.347  -2.292
  371   2HB   ASP  55          HB1       ASP  55   8.066   1.094  -2.853
  372    H    ARG  56           H        ARG  56   8.053  -1.109  -5.556
  373    HA   ARG  56           HA       ARG  56   6.443   1.111  -6.735
  374   1HB   ARG  56          HB2       ARG  56   7.538  -1.281  -8.236
  375   2HB   ARG  56          HB1       ARG  56   6.463  -0.054  -8.901
  376   1HG   ARG  56          HG2       ARG  56   8.550   1.405  -7.741
  377   2HG   ARG  56          HG1       ARG  56   9.346   0.043  -8.529
  378   1HD   ARG  56          HD2       ARG  56   8.007   0.560 -10.602
  379   2HD   ARG  56          HD1       ARG  56   7.440   2.025  -9.800
  380    HE   ARG  56           HE       ARG  56  10.104   2.370  -9.579
  381   1HH1  ARG  56          1HH1      ARG  56   8.550   3.703 -11.800
  382   2HH1  ARG  56          2HH1      ARG  56   9.441   3.202 -13.199
  383   1HH2  ARG  56          1HH2      ARG  56  11.104   0.643 -11.552
  384   2HH2  ARG  56          2HH2      ARG  56  10.885   1.470 -13.059
  385    H    CYS  57           H        CYS  57   4.368   0.779  -6.144
  386    HA   CYS  57           HA       CYS  57   3.395  -1.688  -5.065
  387   1HB   CYS  57          HB2       CYS  57   1.865   0.641  -6.266
  388   2HB   CYS  57          HB1       CYS  57   1.151  -0.645  -5.297
  389    H    THR  58           H        THR  58   1.792  -3.125  -6.054
  390    HA   THR  58           HA       THR  58   2.450  -3.685  -8.856
  391    HB   THR  58           HB       THR  58   1.279  -5.746  -8.540
  392    HG1  THR  58           HG1      THR  58  -0.590  -5.132  -7.601
  393   1HG2  THR  58          1HG2      THR  58   2.356  -5.184  -5.783
  394   2HG2  THR  58          2HG2      THR  58   3.433  -5.281  -7.178
  395   3HG2  THR  58          3HG2      THR  58   2.454  -6.675  -6.720
  396    H    GLY  59           H        GLY  59   0.533  -1.418  -7.672
  397   1HA   GLY  59          HA2       GLY  59  -1.144  -0.185  -8.822
  398   2HA   GLY  59          HA1       GLY  59  -1.232  -1.484 -10.013
  399    H    GLN  60           H        GLN  60  -1.934  -3.678  -8.692
  400    HA   GLN  60           HA       GLN  60  -4.672  -3.116  -7.867
  401   1HB   GLN  60          HB2       GLN  60  -3.195  -5.757  -7.716
  402   2HB   GLN  60          HB1       GLN  60  -4.940  -5.509  -7.783
  403   1HG   GLN  60          HG2       GLN  60  -4.563  -4.368 -10.033
  404   2HG   GLN  60          HG1       GLN  60  -2.914  -4.992  -9.969
  405   1HE2  GLN  60          1HE2      GLN  60  -2.913  -6.729 -11.427
  406   2HE2  GLN  60          2HE2      GLN  60  -4.040  -7.998 -11.408
  407    H    SER  61           H        SER  61  -1.790  -2.906  -6.245
  408    HA   SER  61           HA       SER  61  -2.985  -3.818  -3.664
  409   1HB   SER  61          HB2       SER  61  -0.100  -3.058  -4.166
  410   2HB   SER  61          HB1       SER  61  -0.756  -3.957  -2.802
  411    HG   SER  61           HG       SER  61  -0.953  -4.832  -5.491
  412    H    ALA  62           H        ALA  62  -3.555  -2.288  -2.173
  413    HA   ALA  62           HA       ALA  62  -3.230   0.540  -2.882
  414   1HB   ALA  62          HB1       ALA  62  -4.494  -0.778  -0.459
  415   2HB   ALA  62          HB2       ALA  62  -5.347  -0.225  -1.900
  416   3HB   ALA  62          HB3       ALA  62  -4.571   0.943  -0.831
  417    H    ASP  63           H        ASP  63  -2.274  -1.529  -0.121
  418    HA   ASP  63           HA       ASP  63  -0.527   0.565   0.940
  419   1HB   ASP  63          HB2       ASP  63  -0.578  -2.364   1.716
  420   2HB   ASP  63          HB1       ASP  63  -0.008  -1.005   2.685
  421    H    CYS  64           H        CYS  64   1.859  -0.192   1.433
  422    HA   CYS  64           HA       CYS  64   2.924  -1.510  -1.032
  423   1HB   CYS  64          HB2       CYS  64   3.345   0.943  -1.009
  424   2HB   CYS  64          HB1       CYS  64   4.199   0.758   0.522
  425    HA   PRO  65           HA       PRO  65   4.794  -4.216   1.867
  426   1HB   PRO  65          HB2       PRO  65   6.166  -5.642  -0.021
  427   2HB   PRO  65          HB1       PRO  65   4.450  -5.876   0.305
  428   1HG   PRO  65          HG2       PRO  65   5.782  -4.566  -2.010
  429   2HG   PRO  65          HG1       PRO  65   4.176  -5.312  -1.913
  430   1HD   PRO  65          HD2       PRO  65   4.738  -2.536  -1.847
  431   2HD   PRO  65          HD1       PRO  65   3.184  -3.308  -1.462
  432    H    ARG  66           H        ARG  66   7.378  -5.292   1.376
  433    HA   ARG  66           HA       ARG  66   9.130  -2.895   1.135
  434   1HB   ARG  66          HB2       ARG  66  10.406  -3.648   3.130
  435   2HB   ARG  66          HB1       ARG  66   8.741  -3.228   3.534
  436   1HG   ARG  66          HG2       ARG  66   8.096  -5.585   3.490
  437   2HG   ARG  66          HG1       ARG  66   9.723  -6.045   2.986
  438   1HD   ARG  66          HD2       ARG  66   9.293  -6.324   5.458
  439   2HD   ARG  66          HD1       ARG  66  10.664  -5.281   5.075
  440    HE   ARG  66           HE       ARG  66   7.979  -4.135   5.725
  441   1HH1  ARG  66          1HH1      ARG  66  10.647  -2.684   4.911
  442   2HH1  ARG  66          2HH1      ARG  66  11.109  -2.050   6.456
  443   1HH2  ARG  66          1HH2      ARG  66   8.890  -4.037   8.233
  444   2HH2  ARG  66          2HH2      ARG  66  10.115  -2.816   8.336
  445    H    TYR  67           H        TYR  67  10.856  -3.326  -0.156
  446    HA   TYR  67           HA       TYR  67  11.206  -5.976  -1.284
  447   1HB   TYR  67          HB2       TYR  67  12.211  -3.288  -1.766
  448   2HB   TYR  67          HB1       TYR  67  13.499  -4.487  -1.882
  449    HD1  TYR  67           HD1      TYR  67  12.617  -6.787  -3.078
  450    HD2  TYR  67           HD2      TYR  67  11.099  -2.826  -3.752
  451    HE1  TYR  67           HE1      TYR  67  11.765  -7.493  -5.298
  452    HE2  TYR  67           HE2      TYR  67  10.246  -3.530  -5.972
  453    HH   TYR  67           HH       TYR  67  11.125  -6.533  -7.409
  454    H    HIS  68           H        HIS  68  13.294  -3.924   0.782
  455    HA   HIS  68           HA       HIS  68  14.432  -6.441   1.908
  456   1HB   HIS  68          HB2       HIS  68  15.890  -5.159   0.132
  457   2HB   HIS  68          HB1       HIS  68  16.190  -4.045   1.466
  458    HD1  HIS  68           HD1      HIS  68  18.444  -5.880   0.307
  459    HD2  HIS  68           HD2      HIS  68  16.122  -6.812   3.642
  460    HE1  HIS  68           HE1      HIS  68  19.780  -7.549   1.667
  Start of MODEL   14
    1   1H    GLY   1          HT1       GLY   1  -6.022 -12.058   1.711
    2   2H    GLY   1          HT2       GLY   1  -6.786 -10.811   0.846
    3   3H    GLY   1          HT3       GLY   1  -6.568 -12.335   0.130
    4   1HA   GLY   1          HA1       GLY   1  -8.873 -11.911   0.908
    5   2HA   GLY   1          HA2       GLY   1  -8.120 -13.355   1.586
    6    H    LYS   2           H        LYS   2  -8.731  -9.912   2.260
    7    HA   LYS   2           HA       LYS   2  -8.623 -10.593   5.172
    8   1HB   LYS   2          HB2       LYS   2  -7.581  -8.283   3.623
    9   2HB   LYS   2          HB1       LYS   2  -8.349  -7.896   5.164
   10   1HG   LYS   2          HG2       LYS   2  -6.394  -8.452   6.145
   11   2HG   LYS   2          HG1       LYS   2  -6.776 -10.125   5.739
   12   1HD   LYS   2          HD2       LYS   2  -5.104 -10.198   4.233
   13   2HD   LYS   2          HD1       LYS   2  -5.721  -8.759   3.421
   14   1HE   LYS   2          HE2       LYS   2  -4.441  -8.180   6.000
   15   2HE   LYS   2          HE1       LYS   2  -3.343  -8.890   4.815
   16   1HZ   LYS   2          HZ1       LYS   2  -3.269  -6.605   4.422
   17   2HZ   LYS   2          HZ2       LYS   2  -4.950  -6.419   4.577
   18   3HZ   LYS   2          HZ3       LYS   2  -4.299  -7.198   3.214
   19    H    GLU   3           H        GLU   3  -9.898  -8.489   6.283
   20    HA   GLU   3           HA       GLU   3 -12.502  -8.257   4.838
   21   1HB   GLU   3          HB2       GLU   3 -13.691  -8.645   6.963
   22   2HB   GLU   3          HB1       GLU   3 -12.695 -10.039   6.542
   23   1HG   GLU   3          HG2       GLU   3 -11.406  -9.793   8.381
   24   2HG   GLU   3          HG1       GLU   3 -11.221  -8.060   8.108
   25    H    CYS   4           H        CYS   4  -9.990  -6.545   5.844
   26    HA   CYS   4           HA       CYS   4 -11.707  -4.299   6.816
   27   1HB   CYS   4          HB2       CYS   4  -9.269  -5.428   7.937
   28   2HB   CYS   4          HB1       CYS   4  -9.089  -3.709   7.596
   29    H    ASP   5           H        ASP   5 -11.960  -3.624   4.577
   30    HA   ASP   5           HA       ASP   5  -9.684  -3.068   2.887
   31   1HB   ASP   5          HB2       ASP   5 -12.548  -2.906   2.699
   32   2HB   ASP   5          HB1       ASP   5 -11.851  -1.380   2.156
   33    H    CYS   6           H        CYS   6 -11.123  -1.422   5.541
   34    HA   CYS   6           HA       CYS   6  -9.448   0.979   4.919
   35   1HB   CYS   6          HB2       CYS   6 -12.255   0.883   5.221
   36   2HB   CYS   6          HB1       CYS   6 -11.634   1.593   6.710
   37    H    SER   7           H        SER   7  -9.223   2.270   7.166
   38    HA   SER   7           HA       SER   7  -8.927   0.375   9.427
   39   1HB   SER   7          HB2       SER   7  -6.577   2.083   9.197
   40   2HB   SER   7          HB1       SER   7  -6.671   0.340   9.432
   41    HG   SER   7           HG       SER   7  -7.028   0.141   7.186
   42    H    SER   8           H        SER   8 -10.446   2.938   8.592
   43    HA   SER   8           HA       SER   8 -10.116   4.254  11.214
   44   1HB   SER   8          HB2       SER   8 -10.240   6.151   8.938
   45   2HB   SER   8          HB1       SER   8  -9.374   6.284  10.466
   46    HG   SER   8           HG       SER   8  -8.039   5.972   8.554
   47    HA   PRO   9           HA       PRO   9 -14.487   4.478  10.598
   48   1HB   PRO   9          HB2       PRO   9 -15.048   6.024  12.800
   49   2HB   PRO   9          HB1       PRO   9 -14.673   4.295  12.891
   50   1HG   PRO   9          HG2       PRO   9 -12.966   6.627  13.624
   51   2HG   PRO   9          HG1       PRO   9 -12.919   4.966  14.237
   52   1HD   PRO   9          HD2       PRO   9 -11.152   6.081  12.322
   53   2HD   PRO   9          HD1       PRO   9 -11.322   4.356  12.711
   54    H    GLU  10           H        GLU  10 -12.331   7.057  10.296
   55    HA   GLU  10           HA       GLU  10 -14.457   9.065   9.778
   56   1HB   GLU  10          HB2       GLU  10 -11.749   9.179  10.721
   57   2HB   GLU  10          HB1       GLU  10 -11.865  10.109   9.227
   58   1HG   GLU  10          HG2       GLU  10 -13.218  11.688  10.163
   59   2HG   GLU  10          HG1       GLU  10 -14.100  10.501  11.126
   60    H    ASN  11           H        ASN  11 -13.193   6.624   8.075
   61    HA   ASN  11           HA       ASN  11 -12.557   8.094   5.605
   62   1HB   ASN  11          HB2       ASN  11 -11.509   5.846   6.470
   63   2HB   ASN  11          HB1       ASN  11 -12.938   5.119   5.736
   64   1HD2  ASN  11          1HD2      ASN  11  -9.922   5.252   4.921
   65   2HD2  ASN  11          2HD2      ASN  11  -9.984   5.715   3.288
   66    HA   PRO  12           HA       PRO  12 -16.905   7.877   4.542
   67   1HB   PRO  12          HB2       PRO  12 -16.683   9.497   2.333
   68   2HB   PRO  12          HB1       PRO  12 -16.781  10.112   3.993
   69   1HG   PRO  12          HG2       PRO  12 -14.414   9.953   2.188
   70   2HG   PRO  12          HG1       PRO  12 -14.729  11.065   3.531
   71   1HD   PRO  12          HD2       PRO  12 -13.038   8.794   3.617
   72   2HD   PRO  12          HD1       PRO  12 -13.615   9.724   5.017
   73    H    CYS  13           H        CYS  13 -14.171   6.750   2.840
   74    HA   CYS  13           HA       CYS  13 -15.780   5.658   0.597
   75   1HB   CYS  13          HB2       CYS  13 -13.138   6.591   0.810
   76   2HB   CYS  13          HB1       CYS  13 -12.993   4.842   0.640
   77    H    CYS  14           H        CYS  14 -15.548   4.759   3.627
   78    HA   CYS  14           HA       CYS  14 -15.568   1.874   2.940
   79   1HB   CYS  14          HB2       CYS  14 -14.089   2.630   5.425
   80   2HB   CYS  14          HB1       CYS  14 -13.883   1.227   4.378
   81    H    ASP  15           H        ASP  15 -16.308   0.588   4.928
   82    HA   ASP  15           HA       ASP  15 -18.488   2.123   6.261
   83   1HB   ASP  15          HB2       ASP  15 -18.916   0.002   4.825
   84   2HB   ASP  15          HB1       ASP  15 -18.237  -0.882   6.188
   85    H    ALA  16           H        ALA  16 -18.109   2.647   8.353
   86    HA   ALA  16           HA       ALA  16 -15.855   1.625   9.827
   87   1HB   ALA  16          HB1       ALA  16 -18.296   3.058  10.913
   88   2HB   ALA  16          HB2       ALA  16 -16.909   3.874  10.191
   89   3HB   ALA  16          HB3       ALA  16 -16.711   2.946  11.678
   90    H    ALA  17           H        ALA  17 -19.032   0.429   9.318
   91    HA   ALA  17           HA       ALA  17 -19.140  -1.102  11.819
   92   1HB   ALA  17          HB1       ALA  17 -20.945  -2.105   9.818
   93   2HB   ALA  17          HB2       ALA  17 -20.995  -0.342   9.805
   94   3HB   ALA  17          HB3       ALA  17 -21.325  -1.223  11.297
   95    H    THR  18           H        THR  18 -18.624  -1.817   8.359
   96    HA   THR  18           HA       THR  18 -17.771  -4.563   9.122
   97    HB   THR  18           HB       THR  18 -18.009  -5.131   6.793
   98    HG1  THR  18           HG1      THR  18 -18.837  -3.128   5.521
   99   1HG2  THR  18          1HG2      THR  18 -20.206  -5.261   7.276
  100   2HG2  THR  18          2HG2      THR  18 -20.381  -3.670   6.535
  101   3HG2  THR  18          3HG2      THR  18 -20.131  -3.810   8.275
  102    H    CYS  19           H        CYS  19 -16.401  -1.559   8.692
  103    HA   CYS  19           HA       CYS  19 -14.188  -0.857   8.313
  104   1HB   CYS  19          HB2       CYS  19 -13.724  -2.503  10.094
  105   2HB   CYS  19          HB1       CYS  19 -13.658  -3.791   8.894
  106    H    LYS  20           H        LYS  20 -15.745  -1.563   6.006
  107    HA   LYS  20           HA       LYS  20 -13.519  -2.435   4.217
  108   1HB   LYS  20          HB2       LYS  20 -16.180  -3.685   4.577
  109   2HB   LYS  20          HB1       LYS  20 -15.655  -3.476   2.907
  110   1HG   LYS  20          HG2       LYS  20 -13.778  -4.844   3.191
  111   2HG   LYS  20          HG1       LYS  20 -13.761  -4.622   4.940
  112   1HD   LYS  20          HD2       LYS  20 -14.560  -6.875   4.383
  113   2HD   LYS  20          HD1       LYS  20 -15.861  -5.932   5.111
  114   1HE   LYS  20          HE2       LYS  20 -15.631  -5.752   2.159
  115   2HE   LYS  20          HE1       LYS  20 -16.153  -7.311   2.796
  116   1HZ   LYS  20          HZ1       LYS  20 -17.451  -5.152   4.119
  117   2HZ   LYS  20          HZ2       LYS  20 -18.129  -6.482   3.307
  118   3HZ   LYS  20          HZ3       LYS  20 -17.709  -5.080   2.443
  119    H    LEU  21           H        LEU  21 -14.555  -2.123   1.779
  120    HA   LEU  21           HA       LEU  21 -14.935   0.752   1.575
  121   1HB   LEU  21          HB2       LEU  21 -14.752  -1.532  -0.360
  122   2HB   LEU  21          HB1       LEU  21 -15.406   0.007  -0.921
  123    HG   LEU  21           HG       LEU  21 -13.018   0.430   0.669
  124   1HD1  LEU  21          1HD1      LEU  21 -12.799  -1.960  -0.533
  125   2HD1  LEU  21          2HD1      LEU  21 -11.435  -0.850  -0.395
  126   3HD1  LEU  21          3HD1      LEU  21 -12.356  -0.931  -1.896
  127   1HD2  LEU  21          1HD2      LEU  21 -13.762   0.962  -2.223
  128   2HD2  LEU  21          2HD2      LEU  21 -12.338   1.621  -1.418
  129   3HD2  LEU  21          3HD2      LEU  21 -13.950   2.079  -0.872
  130    H    ARG  22           H        ARG  22 -16.847   1.849   1.368
  131    HA   ARG  22           HA       ARG  22 -19.334   0.322   1.706
  132   1HB   ARG  22          HB2       ARG  22 -18.445   2.981   2.300
  133   2HB   ARG  22          HB1       ARG  22 -19.888   3.081   1.291
  134   1HG   ARG  22          HG2       ARG  22 -19.703   1.290   3.723
  135   2HG   ARG  22          HG1       ARG  22 -20.329   2.937   3.791
  136   1HD   ARG  22          HD2       ARG  22 -21.899   2.212   1.868
  137   2HD   ARG  22          HD1       ARG  22 -21.459   0.563   2.312
  138    HE   ARG  22           HE       ARG  22 -23.007   0.804   4.059
  139   1HH1  ARG  22          1HH1      ARG  22 -24.190   3.338   3.162
  140   2HH1  ARG  22          2HH1      ARG  22 -23.838   4.423   4.465
  141   1HH2  ARG  22          1HH2      ARG  22 -21.375   2.401   5.832
  142   2HH2  ARG  22          2HH2      ARG  22 -22.241   3.893   5.976
  143    HA   PRO  23           HA       PRO  23 -20.305   2.301  -2.517
  144   1HB   PRO  23          HB2       PRO  23 -18.344   3.799  -3.727
  145   2HB   PRO  23          HB1       PRO  23 -19.546   4.477  -2.616
  146   1HG   PRO  23          HG2       PRO  23 -16.656   3.924  -2.142
  147   2HG   PRO  23          HG1       PRO  23 -17.715   5.108  -1.359
  148   1HD   PRO  23          HD2       PRO  23 -16.911   2.616  -0.278
  149   2HD   PRO  23          HD1       PRO  23 -18.197   3.667   0.352
  150    H    GLY  24           H        GLY  24 -18.870   2.372  -4.922
  151   1HA   GLY  24          HA2       GLY  24 -17.881  -0.411  -5.054
  152   2HA   GLY  24          HA1       GLY  24 -18.262   0.616  -6.437
  153    H    ALA  25           H        ALA  25 -16.337   1.884  -3.831
  154    HA   ALA  25           HA       ALA  25 -14.157   2.540  -5.599
  155   1HB   ALA  25          HB1       ALA  25 -13.007   2.980  -3.277
  156   2HB   ALA  25          HB2       ALA  25 -14.624   2.695  -2.632
  157   3HB   ALA  25          HB3       ALA  25 -14.351   4.004  -3.782
  158    H    GLN  26           H        GLN  26 -11.969   1.678  -5.507
  159    HA   GLN  26           HA       GLN  26 -11.953  -1.223  -4.968
  160   1HB   GLN  26          HB2       GLN  26 -10.797   0.348  -6.927
  161   2HB   GLN  26          HB1       GLN  26  -9.439   0.011  -5.852
  162   1HG   GLN  26          HG2       GLN  26  -9.412  -2.205  -6.370
  163   2HG   GLN  26          HG1       GLN  26 -11.172  -2.313  -6.423
  164   1HE2  GLN  26          1HE2      GLN  26 -11.692  -3.042  -8.498
  165   2HE2  GLN  26          2HE2      GLN  26 -11.059  -2.398  -9.935
  166    H    CYS  27           H        CYS  27 -10.690   1.742  -3.609
  167    HA   CYS  27           HA       CYS  27  -9.765   0.264  -1.252
  168   1HB   CYS  27          HB2       CYS  27  -7.481   1.442  -1.416
  169   2HB   CYS  27          HB1       CYS  27  -7.738   0.046  -2.462
  170    H    GLY  28           H        GLY  28 -10.120   1.498   0.523
  171   1HA   GLY  28          HA2       GLY  28 -10.901   4.323   0.112
  172   2HA   GLY  28          HA1       GLY  28 -11.181   3.382   1.572
  173    H    GLU  29           H        GLU  29  -8.196   2.501   1.030
  174    HA   GLU  29           HA       GLU  29  -6.663   4.890   1.601
  175   1HB   GLU  29          HB2       GLU  29  -6.164   4.500   3.911
  176   2HB   GLU  29          HB1       GLU  29  -7.918   4.446   3.770
  177   1HG   GLU  29          HG2       GLU  29  -7.750   2.454   4.841
  178   2HG   GLU  29          HG1       GLU  29  -7.232   1.831   3.274
  179    H    GLY  30           H        GLY  30  -4.379   4.405   1.666
  180   1HA   GLY  30          HA2       GLY  30  -3.073   2.006   1.966
  181   2HA   GLY  30          HA1       GLY  30  -3.707   1.897   0.324
  182    H    LEU  31           H        LEU  31  -0.967   1.900   0.703
  183    HA   LEU  31           HA       LEU  31   0.236   4.507   0.604
  184   1HB   LEU  31          HB2       LEU  31   1.082   1.717   0.158
  185   2HB   LEU  31          HB1       LEU  31   1.979   2.909  -0.783
  186    HG   LEU  31           HG       LEU  31   2.973   2.446   1.483
  187   1HD1  LEU  31          1HD1      LEU  31   3.325   4.592   0.257
  188   2HD1  LEU  31          2HD1      LEU  31   3.357   4.800   2.008
  189   3HD1  LEU  31          3HD1      LEU  31   1.925   5.266   1.092
  190   1HD2  LEU  31          1HD2      LEU  31   0.967   2.101   2.785
  191   2HD2  LEU  31          2HD2      LEU  31   0.352   3.697   2.354
  192   3HD2  LEU  31          3HD2      LEU  31   1.756   3.549   3.410
  193    H    CYS  32           H        CYS  32  -1.365   2.545  -1.806
  194    HA   CYS  32           HA       CYS  32  -0.784   4.694  -3.789
  195   1HB   CYS  32          HB2       CYS  32  -0.827   1.752  -4.498
  196   2HB   CYS  32          HB1       CYS  32  -0.366   3.103  -5.536
  197    H    CYS  33           H        CYS  33  -3.043   5.181  -2.823
  198    HA   CYS  33           HA       CYS  33  -5.052   3.866  -4.593
  199   1HB   CYS  33          HB2       CYS  33  -5.339   2.945  -2.309
  200   2HB   CYS  33          HB1       CYS  33  -5.503   4.580  -1.672
  201    H    GLU  34           H        GLU  34  -5.665   5.483  -5.946
  202    HA   GLU  34           HA       GLU  34  -5.988   8.217  -4.772
  203   1HB   GLU  34          HB2       GLU  34  -5.557   7.677  -7.707
  204   2HB   GLU  34          HB1       GLU  34  -5.267   9.166  -6.807
  205   1HG   GLU  34          HG2       GLU  34  -3.699   7.096  -5.613
  206   2HG   GLU  34          HG1       GLU  34  -3.422   7.056  -7.355
  207    H    GLN  35           H        GLN  35  -7.949   9.215  -5.059
  208    HA   GLN  35           HA       GLN  35 -10.214   9.440  -5.608
  209   1HB   GLN  35          HB2       GLN  35  -8.958   8.246  -8.021
  210   2HB   GLN  35          HB1       GLN  35 -10.716   8.127  -7.914
  211   1HG   GLN  35          HG2       GLN  35  -9.649  10.770  -7.173
  212   2HG   GLN  35          HG1       GLN  35  -9.361  10.324  -8.855
  213   1HE2  GLN  35          1HE2      GLN  35 -11.286   9.823 -10.200
  214   2HE2  GLN  35          2HE2      GLN  35 -12.817  10.399  -9.747
  215    H    CYS  36           H        CYS  36  -9.259   7.145  -3.995
  216    HA   CYS  36           HA       CYS  36 -10.188   5.212  -3.041
  217   1HB   CYS  36          HB2       CYS  36 -12.541   6.445  -4.460
  218   2HB   CYS  36          HB1       CYS  36 -12.699   4.877  -3.672
  219    H    LYS  37           H        LYS  37  -8.830   5.122  -5.675
  220    HA   LYS  37           HA       LYS  37 -10.070   2.587  -6.661
  221   1HB   LYS  37          HB2       LYS  37  -8.814   4.797  -8.315
  222   2HB   LYS  37          HB1       LYS  37  -9.313   3.230  -8.950
  223   1HG   LYS  37          HG2       LYS  37 -11.625   3.660  -8.347
  224   2HG   LYS  37          HG1       LYS  37 -11.173   5.160  -7.536
  225   1HD   LYS  37          HD2       LYS  37 -10.696   6.258  -9.551
  226   2HD   LYS  37          HD1       LYS  37 -10.481   4.746 -10.434
  227   1HE   LYS  37          HE2       LYS  37 -12.663   6.055 -10.858
  228   2HE   LYS  37          HE1       LYS  37 -12.809   4.331 -10.521
  229   1HZ   LYS  37          HZ1       LYS  37 -13.478   4.744  -8.337
  230   2HZ   LYS  37          HZ2       LYS  37 -14.331   5.892  -9.256
  231   3HZ   LYS  37          HZ3       LYS  37 -12.955   6.356  -8.373
  232    H    PHE  38           H        PHE  38  -8.487   1.122  -7.679
  233    HA   PHE  38           HA       PHE  38  -6.052   0.915  -6.150
  234   1HB   PHE  38          HB2       PHE  38  -7.206  -0.521  -8.525
  235   2HB   PHE  38          HB1       PHE  38  -5.528  -0.799  -8.082
  236    HD1  PHE  38           HD2      PHE  38  -7.361   0.083  -5.177
  237    HD2  PHE  38           HD1      PHE  38  -6.621  -3.202  -7.847
  238    HE1  PHE  38           HE2      PHE  38  -8.075  -1.510  -3.421
  239    HE2  PHE  38           HE1      PHE  38  -7.342  -4.791  -6.087
  240    HZ   PHE  38           HZ       PHE  38  -8.069  -3.945  -3.873
  241    H    SER  39           H        SER  39  -4.180   2.002  -6.511
  242    HA   SER  39           HA       SER  39  -3.805   3.823  -8.667
  243   1HB   SER  39          HB2       SER  39  -1.524   4.004  -7.904
  244   2HB   SER  39          HB1       SER  39  -2.523   3.774  -6.473
  245    HG   SER  39           HG       SER  39  -2.025   1.499  -6.684
  246    H    ARG  40           H        ARG  40  -1.186   3.066  -9.628
  247    HA   ARG  40           HA       ARG  40  -1.900   0.639 -11.223
  248   1HB   ARG  40          HB2       ARG  40  -1.109   3.340 -12.081
  249   2HB   ARG  40          HB1       ARG  40  -0.152   2.059 -12.826
  250   1HG   ARG  40          HG2       ARG  40  -1.959   1.161 -13.936
  251   2HG   ARG  40          HG1       ARG  40  -3.105   1.657 -12.689
  252   1HD   ARG  40          HD2       ARG  40  -1.809   3.923 -14.024
  253   2HD   ARG  40          HD1       ARG  40  -2.753   2.920 -15.124
  254    HE   ARG  40           HE       ARG  40  -4.054   3.772 -12.599
  255   1HH1  ARG  40          1HH2      ARG  40  -5.695   2.661 -14.774
  256   2HH1  ARG  40          2HH2      ARG  40  -6.289   4.074 -15.581
  257   1HH2  ARG  40          1HH1      ARG  40  -3.938   6.197 -14.168
  258   2HH2  ARG  40          2HH1      ARG  40  -5.295   6.076 -15.237
  259    H    ALA  41           H        ALA  41  -0.168  -0.804 -11.645
  260    HA   ALA  41           HA       ALA  41   1.822  -1.113  -9.695
  261   1HB   ALA  41          HB1       ALA  41   2.432  -1.954 -12.506
  262   2HB   ALA  41          HB2       ALA  41   1.037  -2.669 -11.698
  263   3HB   ALA  41          HB3       ALA  41   2.647  -2.848 -11.000
  264    H    GLY  42           H        GLY  42   4.230  -0.914 -10.014
  265   1HA   GLY  42          HA2       GLY  42   6.131   0.374 -10.538
  266   2HA   GLY  42          HA1       GLY  42   5.249   0.997 -11.934
  267    H    LYS  43           H        LYS  43   3.720   1.216  -8.833
  268    HA   LYS  43           HA       LYS  43   4.017   4.175  -8.962
  269   1HB   LYS  43          HB2       LYS  43   1.736   3.523  -8.755
  270   2HB   LYS  43          HB1       LYS  43   2.110   2.341  -7.503
  271   1HG   LYS  43          HG2       LYS  43   1.098   4.368  -6.523
  272   2HG   LYS  43          HG1       LYS  43   2.762   4.165  -5.972
  273   1HD   LYS  43          HD2       LYS  43   3.561   5.820  -7.525
  274   2HD   LYS  43          HD1       LYS  43   1.998   5.892  -8.339
  275   1HE   LYS  43          HE2       LYS  43   0.961   6.961  -6.490
  276   2HE   LYS  43          HE1       LYS  43   2.290   6.550  -5.406
  277   1HZ   LYS  43          HZ1       LYS  43   3.474   7.948  -7.425
  278   2HZ   LYS  43          HZ2       LYS  43   3.090   8.552  -5.884
  279   3HZ   LYS  43          HZ3       LYS  43   2.014   8.774  -7.181
  280    H    ILE  44           H        ILE  44   5.630   5.029  -7.765
  281    HA   ILE  44           HA       ILE  44   7.210   3.699  -5.870
  282    HB   ILE  44           HB       ILE  44   7.813   5.878  -6.859
  283   1HG1  ILE  44          2HG1      ILE  44   8.586   6.975  -4.721
  284   2HG1  ILE  44          1HG1      ILE  44   7.614   5.802  -3.833
  285   1HG2  ILE  44          1HG2      ILE  44   6.049   7.306  -4.918
  286   2HG2  ILE  44          2HG2      ILE  44   5.293   6.651  -6.371
  287   3HG2  ILE  44          3HG2      ILE  44   6.609   7.816  -6.511
  288   1HD1  ILE  44          1HD1      ILE  44   9.394   4.631  -5.878
  289   2HD1  ILE  44          2HD1      ILE  44   9.075   4.104  -4.225
  290   3HD1  ILE  44          3HD1      ILE  44  10.226   5.404  -4.529
  291    H    CYS  45           H        CYS  45   6.544   2.762  -4.004
  292    HA   CYS  45           HA       CYS  45   4.392   4.131  -2.440
  293   1HB   CYS  45          HB2       CYS  45   4.209   1.792  -1.341
  294   2HB   CYS  45          HB1       CYS  45   3.562   1.996  -2.965
  295    H    ARG  46           H        ARG  46   7.684   3.153  -2.456
  296    HA   ARG  46           HA       ARG  46   7.989   4.214   0.293
  297   1HB   ARG  46          HB2       ARG  46   7.882   1.520   0.017
  298   2HB   ARG  46          HB1       ARG  46   9.597   1.786  -0.302
  299   1HG   ARG  46          HG2       ARG  46  10.012   2.598   1.826
  300   2HG   ARG  46          HG1       ARG  46   8.365   3.192   2.033
  301   1HD   ARG  46          HD2       ARG  46   8.854   0.238   1.799
  302   2HD   ARG  46          HD1       ARG  46   9.134   1.049   3.340
  303    HE   ARG  46           HE       ARG  46   6.576   0.342   2.357
  304   1HH1  ARG  46          1HH1      ARG  46   8.299   2.654   4.186
  305   2HH1  ARG  46          2HH1      ARG  46   6.897   3.578   4.613
  306   1HH2  ARG  46          1HH2      ARG  46   4.738   1.710   2.648
  307   2HH2  ARG  46          2HH2      ARG  46   4.883   3.044   3.743
  308    H    ILE  47           H        ILE  47  10.293   4.733   0.736
  309    HA   ILE  47           HA       ILE  47  11.690   5.369  -1.821
  310    HB   ILE  47           HB       ILE  47  10.885   6.997   0.354
  311   1HG1  ILE  47          2HG1      ILE  47  12.393   7.309  -2.221
  312   2HG1  ILE  47          1HG1      ILE  47  10.804   7.919  -1.774
  313   1HG2  ILE  47          1HG2      ILE  47  12.907   6.417   1.572
  314   2HG2  ILE  47          2HG2      ILE  47  13.054   8.067   0.970
  315   3HG2  ILE  47          3HG2      ILE  47  13.901   6.753   0.156
  316   1HD1  ILE  47          1HD1      ILE  47  12.229   9.822  -1.801
  317   2HD1  ILE  47          2HD1      ILE  47  13.501   8.975  -0.922
  318   3HD1  ILE  47          3HD1      ILE  47  12.008   9.424  -0.097
  319    HA   PRO  48           HA       PRO  48  15.146   3.010  -0.525
  320   1HB   PRO  48          HB2       PRO  48  17.193   4.456  -1.655
  321   2HB   PRO  48          HB1       PRO  48  16.070   3.455  -2.591
  322   1HG   PRO  48          HG2       PRO  48  16.193   6.419  -2.369
  323   2HG   PRO  48          HG1       PRO  48  15.542   5.417  -3.676
  324   1HD   PRO  48          HD2       PRO  48  14.037   6.755  -1.680
  325   2HD   PRO  48          HD1       PRO  48  13.423   5.537  -2.817
  326    H    ARG  49           H        ARG  49  16.823   2.940   1.062
  327    HA   ARG  49           HA       ARG  49  17.226   5.484   2.583
  328   1HB   ARG  49          HB2       ARG  49  15.968   3.186   3.508
  329   2HB   ARG  49          HB1       ARG  49  17.612   3.031   4.132
  330   1HG   ARG  49          HG2       ARG  49  16.461   4.278   5.791
  331   2HG   ARG  49          HG1       ARG  49  17.374   5.482   4.881
  332   1HD   ARG  49          HD2       ARG  49  15.111   5.462   3.416
  333   2HD   ARG  49          HD1       ARG  49  14.438   5.007   4.982
  334    HE   ARG  49           HE       ARG  49  15.880   7.557   4.422
  335   1HH1  ARG  49          1HH2      ARG  49  12.900   7.094   5.204
  336   2HH1  ARG  49          2HH2      ARG  49  12.936   7.636   6.848
  337   1HH2  ARG  49          1HH1      ARG  49  16.396   7.574   7.072
  338   2HH2  ARG  49          2HH1      ARG  49  14.916   7.911   7.906
  339    H    GLY  50           H        GLY  50  18.882   4.405   0.424
  340   1HA   GLY  50          HA2       GLY  50  21.238   4.452   0.115
  341   2HA   GLY  50          HA1       GLY  50  21.439   4.407   1.866
  342    H    GLU  51           H        GLU  51  19.493   2.130  -0.026
  343    HA   GLU  51           HA       GLU  51  21.372   0.065  -0.368
  344   1HB   GLU  51          HB2       GLU  51  20.804  -1.399   1.600
  345   2HB   GLU  51          HB1       GLU  51  21.713   0.049   2.032
  346   1HG   GLU  51          HG2       GLU  51  19.337   1.117   2.352
  347   2HG   GLU  51          HG1       GLU  51  18.806  -0.561   2.484
  348    H    MET  52           H        MET  52  18.086   0.980   0.382
  349    HA   MET  52           HA       MET  52  17.089  -1.471  -0.984
  350   1HB   MET  52          HB2       MET  52  16.036   0.315   1.109
  351   2HB   MET  52          HB1       MET  52  14.851  -0.136  -0.119
  352   1HG   MET  52          HG2       MET  52  14.714  -2.242   0.675
  353   2HG   MET  52          HG1       MET  52  16.468  -2.418   0.677
  354   1HE   MET  52          HE1       MET  52  15.788  -3.970   2.292
  355   2HE   MET  52          HE2       MET  52  14.568  -3.635   3.519
  356   3HE   MET  52          HE3       MET  52  16.275  -3.630   3.958
  357    HA   PRO  53           HA       PRO  53  16.144   0.964  -4.548
  358   1HB   PRO  53          HB2       PRO  53  14.422  -0.812  -5.739
  359   2HB   PRO  53          HB1       PRO  53  16.182  -1.016  -5.727
  360   1HG   PRO  53          HG2       PRO  53  14.112  -2.461  -4.136
  361   2HG   PRO  53          HG1       PRO  53  15.718  -3.007  -4.648
  362   1HD   PRO  53          HD2       PRO  53  15.032  -2.087  -2.063
  363   2HD   PRO  53          HD1       PRO  53  16.680  -2.307  -2.694
  364    H    ASP  54           H        ASP  54  14.228   1.941  -5.650
  365    HA   ASP  54           HA       ASP  54  12.280   2.932  -3.765
  366   1HB   ASP  54          HB2       ASP  54  12.093   3.001  -6.787
  367   2HB   ASP  54          HB1       ASP  54  11.348   4.120  -5.642
  368    H    ASP  55           H        ASP  55  10.666   1.624  -2.990
  369    HA   ASP  55           HA       ASP  55   9.776  -0.767  -4.312
  370   1HB   ASP  55          HB2       ASP  55   9.568   0.103  -1.791
  371   2HB   ASP  55          HB1       ASP  55   7.985   0.618  -2.368
  372    H    ARG  56           H        ARG  56   7.825  -1.143  -5.481
  373    HA   ARG  56           HA       ARG  56   6.309   1.295  -6.316
  374   1HB   ARG  56          HB2       ARG  56   7.048  -0.909  -8.244
  375   2HB   ARG  56          HB1       ARG  56   6.408   0.692  -8.611
  376   1HG   ARG  56          HG2       ARG  56   8.967   0.622  -7.104
  377   2HG   ARG  56          HG1       ARG  56   9.037   0.095  -8.784
  378   1HD   ARG  56          HD2       ARG  56   8.343   2.172  -9.603
  379   2HD   ARG  56          HD1       ARG  56   7.584   2.630  -8.078
  380    HE   ARG  56           HE       ARG  56   9.912   2.906  -7.161
  381   1HH1  ARG  56          1HH1      ARG  56  11.157   1.561  -9.642
  382   2HH1  ARG  56          2HH1      ARG  56  11.819   2.943 -10.450
  383   1HH2  ARG  56          1HH2      ARG  56   9.997   5.235  -8.594
  384   2HH2  ARG  56          2HH2      ARG  56  11.163   5.022  -9.858
  385    H    CYS  57           H        CYS  57   4.152   0.978  -5.969
  386    HA   CYS  57           HA       CYS  57   3.048  -1.486  -5.076
  387   1HB   CYS  57          HB2       CYS  57   1.829   1.003  -6.265
  388   2HB   CYS  57          HB1       CYS  57   0.827  -0.397  -5.893
  389    H    THR  58           H        THR  58   1.434  -2.832  -6.295
  390    HA   THR  58           HA       THR  58   2.427  -3.292  -9.055
  391    HB   THR  58           HB       THR  58   1.404  -5.491  -8.866
  392    HG1  THR  58           HG1      THR  58  -0.238  -5.697  -7.605
  393   1HG2  THR  58          1HG2      THR  58   3.501  -5.643  -7.895
  394   2HG2  THR  58          2HG2      THR  58   2.490  -6.129  -6.535
  395   3HG2  THR  58          3HG2      THR  58   3.110  -4.482  -6.625
  396    H    GLY  59           H        GLY  59   0.291  -1.246  -8.027
  397   1HA   GLY  59          HA2       GLY  59  -1.576  -0.261  -9.089
  398   2HA   GLY  59          HA1       GLY  59  -1.379  -1.438 -10.388
  399    H    GLN  60           H        GLN  60  -1.834  -3.835  -9.340
  400    HA   GLN  60           HA       GLN  60  -4.666  -3.827  -8.778
  401   1HB   GLN  60          HB2       GLN  60  -2.600  -6.040  -8.623
  402   2HB   GLN  60          HB1       GLN  60  -4.337  -6.293  -8.458
  403   1HG   GLN  60          HG2       GLN  60  -4.734  -5.467 -10.699
  404   2HG   GLN  60          HG1       GLN  60  -3.044  -4.989 -10.869
  405   1HE2  GLN  60          1HE2      GLN  60  -1.787  -6.495 -11.967
  406   2HE2  GLN  60          2HE2      GLN  60  -2.102  -8.161 -12.043
  407    H    SER  61           H        SER  61  -2.065  -3.167  -6.791
  408    HA   SER  61           HA       SER  61  -3.646  -3.981  -4.385
  409   1HB   SER  61          HB2       SER  61  -1.184  -5.026  -5.077
  410   2HB   SER  61          HB1       SER  61  -0.748  -3.725  -3.973
  411    HG   SER  61           HG       SER  61  -2.889  -5.395  -3.301
  412    H    ALA  62           H        ALA  62  -4.536  -1.920  -4.030
  413    HA   ALA  62           HA       ALA  62  -3.377   0.584  -4.336
  414   1HB   ALA  62          HB1       ALA  62  -5.551  -0.518  -2.796
  415   2HB   ALA  62          HB2       ALA  62  -5.356   1.125  -3.404
  416   3HB   ALA  62          HB3       ALA  62  -4.696   0.682  -1.829
  417    H    ASP  63           H        ASP  63  -2.863  -1.727  -1.700
  418    HA   ASP  63           HA       ASP  63  -1.087   0.095  -0.252
  419   1HB   ASP  63          HB2       ASP  63  -1.483  -2.893   0.107
  420   2HB   ASP  63          HB1       ASP  63  -0.734  -1.787   1.260
  421    H    CYS  64           H        CYS  64   1.178  -1.039   0.349
  422    HA   CYS  64           HA       CYS  64   2.378  -1.927  -2.242
  423   1HB   CYS  64          HB2       CYS  64   3.063   0.354  -1.614
  424   2HB   CYS  64          HB1       CYS  64   3.660  -0.246  -0.070
  425    HA   PRO  65           HA       PRO  65   3.403  -5.444   0.218
  426   1HB   PRO  65          HB2       PRO  65   4.333  -6.880  -1.916
  427   2HB   PRO  65          HB1       PRO  65   2.619  -6.720  -1.534
  428   1HG   PRO  65          HG2       PRO  65   4.190  -5.487  -3.729
  429   2HG   PRO  65          HG1       PRO  65   2.446  -5.776  -3.625
  430   1HD   PRO  65          HD2       PRO  65   3.784  -3.298  -3.212
  431   2HD   PRO  65          HD1       PRO  65   2.070  -3.644  -2.900
  432    H    ARG  66           H        ARG  66   5.731  -5.715  -2.388
  433    HA   ARG  66           HA       ARG  66   7.909  -4.481  -0.853
  434   1HB   ARG  66          HB2       ARG  66   9.215  -6.703  -0.946
  435   2HB   ARG  66          HB1       ARG  66   7.967  -6.559   0.293
  436   1HG   ARG  66          HG2       ARG  66   7.030  -7.582  -2.321
  437   2HG   ARG  66          HG1       ARG  66   8.131  -8.649  -1.448
  438   1HD   ARG  66          HD2       ARG  66   6.622  -8.170   0.609
  439   2HD   ARG  66          HD1       ARG  66   5.445  -7.598  -0.572
  440    HE   ARG  66           HE       ARG  66   5.917  -9.988  -1.629
  441   1HH1  ARG  66          1HH2      ARG  66   5.095  -8.950   1.520
  442   2HH1  ARG  66          2HH2      ARG  66   4.850 -10.548   2.142
  443   1HH2  ARG  66          1HH1      ARG  66   5.902 -12.127  -0.759
  444   2HH2  ARG  66          2HH1      ARG  66   5.310 -12.345   0.854
  445    H    TYR  67           H        TYR  67  10.092  -5.283  -2.125
  446    HA   TYR  67           HA       TYR  67   9.467  -4.784  -5.000
  447   1HB   TYR  67          HB2       TYR  67  11.960  -4.169  -5.063
  448   2HB   TYR  67          HB1       TYR  67  10.901  -3.073  -4.177
  449    HD1  TYR  67           HD1      TYR  67  12.900  -6.199  -3.591
  450    HD2  TYR  67           HD2      TYR  67  11.539  -2.435  -2.033
  451    HE1  TYR  67           HE1      TYR  67  14.230  -6.571  -1.530
  452    HE2  TYR  67           HE2      TYR  67  12.868  -2.806   0.027
  453    HH   TYR  67           HH       TYR  67  14.162  -4.216   1.148
  454    H    HIS  68           H        HIS  68  10.036  -7.346  -3.062
  455    HA   HIS  68           HA       HIS  68  12.054  -8.703  -4.715
  456   1HB   HIS  68          HB2       HIS  68  11.497  -8.979  -2.127
  457   2HB   HIS  68          HB1       HIS  68  10.348 -10.168  -2.741
  458    HD1  HIS  68           HD1      HIS  68  13.987  -9.555  -2.258
  459    HD2  HIS  68           HD2      HIS  68  11.571 -12.384  -4.138
  460    HE1  HIS  68           HE1      HIS  68  15.482 -11.525  -2.803
  Start of MODEL   15
    1   1H    GLY   1          HT1       GLY   1  -7.349 -12.141   5.968
    2   2H    GLY   1          HT2       GLY   1  -7.497 -13.780   6.387
    3   3H    GLY   1          HT3       GLY   1  -6.880 -12.667   7.511
    4   1HA   GLY   1          HA1       GLY   1  -9.550 -13.431   7.089
    5   2HA   GLY   1          HA2       GLY   1  -8.905 -12.322   8.299
    6    H    LYS   2           H        LYS   2 -10.949 -12.521   5.664
    7    HA   LYS   2           HA       LYS   2 -10.507  -9.720   4.792
    8   1HB   LYS   2          HB2       LYS   2 -10.948 -11.533   3.107
    9   2HB   LYS   2          HB1       LYS   2 -12.556 -11.729   3.806
   10   1HG   LYS   2          HG2       LYS   2 -12.915 -10.250   2.003
   11   2HG   LYS   2          HG1       LYS   2 -12.815  -9.180   3.402
   12   1HD   LYS   2          HD2       LYS   2 -11.204  -8.072   2.267
   13   2HD   LYS   2          HD1       LYS   2 -10.165  -9.458   2.605
   14   1HE   LYS   2          HE2       LYS   2 -12.018  -9.740   0.299
   15   2HE   LYS   2          HE1       LYS   2 -10.686  -8.602   0.096
   16   1HZ   LYS   2          HZ1       LYS   2  -9.959 -11.123   1.307
   17   2HZ   LYS   2          HZ2       LYS   2  -9.177 -10.236   0.088
   18   3HZ   LYS   2          HZ3       LYS   2 -10.490 -11.243  -0.299
   19    H    GLU   3           H        GLU   3 -11.463  -8.217   6.093
   20    HA   GLU   3           HA       GLU   3 -14.326  -8.383   6.602
   21   1HB   GLU   3          HB2       GLU   3 -12.897  -9.690   8.460
   22   2HB   GLU   3          HB1       GLU   3 -12.774  -8.058   9.116
   23   1HG   GLU   3          HG2       GLU   3 -15.255  -7.851   8.975
   24   2HG   GLU   3          HG1       GLU   3 -15.335  -9.528   8.432
   25    H    CYS   4           H        CYS   4 -11.287  -6.733   7.367
   26    HA   CYS   4           HA       CYS   4 -12.791  -4.172   7.085
   27   1HB   CYS   4          HB2       CYS   4 -12.284  -4.477   9.448
   28   2HB   CYS   4          HB1       CYS   4 -10.593  -4.801   9.071
   29    H    ASP   5           H        ASP   5 -12.073  -3.282   5.210
   30    HA   ASP   5           HA       ASP   5  -9.183  -3.573   4.512
   31   1HB   ASP   5          HB2       ASP   5 -11.462  -3.915   2.953
   32   2HB   ASP   5          HB1       ASP   5 -10.905  -2.300   2.511
   33    H    CYS   6           H        CYS   6 -10.937  -1.542   6.259
   34    HA   CYS   6           HA       CYS   6  -9.318   0.811   5.445
   35   1HB   CYS   6          HB2       CYS   6 -11.395   1.215   4.300
   36   2HB   CYS   6          HB1       CYS   6 -12.335   0.742   5.713
   37    H    SER   7           H        SER   7  -8.218   1.252   7.309
   38    HA   SER   7           HA       SER   7  -9.469   0.621   9.914
   39   1HB   SER   7          HB2       SER   7  -7.134  -0.057   9.543
   40   2HB   SER   7          HB1       SER   7  -6.689   1.619   9.232
   41    HG   SER   7           HG       SER   7  -6.483   1.798  11.307
   42    H    SER   8           H        SER   8 -10.417   2.921   8.263
   43    HA   SER   8           HA       SER   8 -10.002   5.010  10.347
   44   1HB   SER   8          HB2       SER   8  -9.848   5.356   7.348
   45   2HB   SER   8          HB1       SER   8 -10.103   6.709   8.449
   46    HG   SER   8           HG       SER   8  -8.048   6.660   8.831
   47    HA   PRO   9           HA       PRO   9 -14.454   4.744   9.975
   48   1HB   PRO   9          HB2       PRO   9 -14.969   6.321  12.168
   49   2HB   PRO   9          HB1       PRO   9 -14.543   4.604  12.276
   50   1HG   PRO   9          HG2       PRO   9 -12.869   6.994  12.889
   51   2HG   PRO   9          HG1       PRO   9 -12.756   5.349  13.537
   52   1HD   PRO   9          HD2       PRO   9 -11.092   6.459  11.533
   53   2HD   PRO   9          HD1       PRO   9 -11.213   4.738  11.956
   54    H    GLU  10           H        GLU  10 -12.659   7.770  10.510
   55    HA   GLU  10           HA       GLU  10 -14.774   9.514   9.610
   56   1HB   GLU  10          HB2       GLU  10 -13.003  11.218   9.449
   57   2HB   GLU  10          HB1       GLU  10 -12.853  10.318  10.959
   58   1HG   GLU  10          HG2       GLU  10 -10.800   9.587  10.394
   59   2HG   GLU  10          HG1       GLU  10 -11.387   8.992   8.840
   60    H    ASN  11           H        ASN  11 -12.414   7.532   8.018
   61    HA   ASN  11           HA       ASN  11 -12.278   8.848   5.496
   62   1HB   ASN  11          HB2       ASN  11 -10.785   6.982   6.176
   63   2HB   ASN  11          HB1       ASN  11 -12.154   5.875   6.077
   64   1HD2  ASN  11          1HD2      ASN  11 -10.815   4.758   4.349
   65   2HD2  ASN  11          2HD2      ASN  11 -10.858   5.371   2.769
   66    HA   PRO  12           HA       PRO  12 -16.549   8.032   4.399
   67   1HB   PRO  12          HB2       PRO  12 -16.509   9.596   2.140
   68   2HB   PRO  12          HB1       PRO  12 -16.710  10.245   3.776
   69   1HG   PRO  12          HG2       PRO  12 -14.317  10.341   2.002
   70   2HG   PRO  12          HG1       PRO  12 -14.793  11.444   3.303
   71   1HD   PRO  12          HD2       PRO  12 -12.822   9.418   3.481
   72   2HD   PRO  12          HD1       PRO  12 -13.534  10.306   4.844
   73    H    CYS  13           H        CYS  13 -13.830   6.725   3.156
   74    HA   CYS  13           HA       CYS  13 -15.072   5.754   0.636
   75   1HB   CYS  13          HB2       CYS  13 -12.574   6.608   0.975
   76   2HB   CYS  13          HB1       CYS  13 -12.327   4.948   1.493
   77    H    CYS  14           H        CYS  14 -15.045   4.849   3.819
   78    HA   CYS  14           HA       CYS  14 -15.448   2.002   3.046
   79   1HB   CYS  14          HB2       CYS  14 -14.293   1.492   5.343
   80   2HB   CYS  14          HB1       CYS  14 -13.294   1.787   3.920
   81    H    ASP  15           H        ASP  15 -16.416   0.786   4.998
   82    HA   ASP  15           HA       ASP  15 -18.405   2.577   6.336
   83   1HB   ASP  15          HB2       ASP  15 -19.104   0.787   4.517
   84   2HB   ASP  15          HB1       ASP  15 -18.915  -0.340   5.858
   85    H    ALA  16           H        ALA  16 -18.303   2.546   8.535
   86    HA   ALA  16           HA       ALA  16 -16.355   0.944   9.922
   87   1HB   ALA  16          HB1       ALA  16 -18.118   1.805  11.872
   88   2HB   ALA  16          HB2       ALA  16 -18.327   3.009  10.601
   89   3HB   ALA  16          HB3       ALA  16 -16.727   2.716  11.284
   90    H    ALA  17           H        ALA  17 -19.781   0.537   9.240
   91    HA   ALA  17           HA       ALA  17 -20.523  -1.372  11.151
   92   1HB   ALA  17          HB1       ALA  17 -21.659  -2.370   8.836
   93   2HB   ALA  17          HB2       ALA  17 -21.366  -0.681   8.422
   94   3HB   ALA  17          HB3       ALA  17 -22.347  -1.085   9.830
   95    H    THR  18           H        THR  18 -19.091  -2.074   7.940
   96    HA   THR  18           HA       THR  18 -18.254  -4.728   9.012
   97    HB   THR  18           HB       THR  18 -19.595  -4.616   6.868
   98    HG1  THR  18           HG1      THR  18 -18.436  -6.426   7.053
   99   1HG2  THR  18          1HG2      THR  18 -18.615  -3.732   4.888
  100   2HG2  THR  18          2HG2      THR  18 -17.040  -3.549   5.661
  101   3HG2  THR  18          3HG2      THR  18 -18.377  -2.493   6.119
  102    H    CYS  19           H        CYS  19 -17.069  -1.628   8.323
  103    HA   CYS  19           HA       CYS  19 -14.876  -0.784   8.507
  104   1HB   CYS  19          HB2       CYS  19 -14.735  -2.896  10.099
  105   2HB   CYS  19          HB1       CYS  19 -13.767  -3.557   8.782
  106    H    LYS  20           H        LYS  20 -16.145  -1.922   5.998
  107    HA   LYS  20           HA       LYS  20 -13.590  -2.311   4.482
  108   1HB   LYS  20          HB2       LYS  20 -16.306  -3.512   3.867
  109   2HB   LYS  20          HB1       LYS  20 -14.848  -3.722   2.898
  110   1HG   LYS  20          HG2       LYS  20 -14.131  -4.371   5.560
  111   2HG   LYS  20          HG1       LYS  20 -15.670  -5.176   5.248
  112   1HD   LYS  20          HD2       LYS  20 -14.321  -5.638   2.903
  113   2HD   LYS  20          HD1       LYS  20 -13.011  -5.691   4.083
  114   1HE   LYS  20          HE2       LYS  20 -13.663  -7.831   4.440
  115   2HE   LYS  20          HE1       LYS  20 -14.997  -7.123   5.351
  116   1HZ   LYS  20          HZ1       LYS  20 -16.454  -7.435   3.644
  117   2HZ   LYS  20          HZ2       LYS  20 -15.433  -8.767   3.384
  118   3HZ   LYS  20          HZ3       LYS  20 -15.261  -7.363   2.442
  119    H    LEU  21           H        LEU  21 -14.367  -2.001   1.940
  120    HA   LEU  21           HA       LEU  21 -14.827   0.830   1.699
  121   1HB   LEU  21          HB2       LEU  21 -14.754  -1.443  -0.288
  122   2HB   LEU  21          HB1       LEU  21 -15.106   0.213  -0.786
  123    HG   LEU  21           HG       LEU  21 -12.879   0.481   0.861
  124   1HD1  LEU  21          1HD1      LEU  21 -12.901  -2.167   0.392
  125   2HD1  LEU  21          2HD1      LEU  21 -11.402  -1.243   0.506
  126   3HD1  LEU  21          3HD1      LEU  21 -12.078  -1.635  -1.075
  127   1HD2  LEU  21          1HD2      LEU  21 -12.143   0.181  -1.929
  128   2HD2  LEU  21          2HD2      LEU  21 -12.242   1.652  -0.960
  129   3HD2  LEU  21          3HD2      LEU  21 -13.677   1.039  -1.782
  130    H    ARG  22           H        ARG  22 -16.720   1.932   1.441
  131    HA   ARG  22           HA       ARG  22 -19.225   0.399   1.635
  132   1HB   ARG  22          HB2       ARG  22 -18.390   2.857   2.620
  133   2HB   ARG  22          HB1       ARG  22 -19.505   3.289   1.323
  134   1HG   ARG  22          HG2       ARG  22 -20.551   1.069   2.862
  135   2HG   ARG  22          HG1       ARG  22 -20.189   2.438   3.914
  136   1HD   ARG  22          HD2       ARG  22 -21.564   3.913   2.601
  137   2HD   ARG  22          HD1       ARG  22 -21.755   2.699   1.336
  138    HE   ARG  22           HE       ARG  22 -22.777   1.478   3.614
  139   1HH1  ARG  22          1HH1      ARG  22 -24.130   2.786   1.046
  140   2HH1  ARG  22          2HH1      ARG  22 -25.435   3.614   1.829
  141   1HH2  ARG  22          1HH2      ARG  22 -24.103   3.252   5.010
  142   2HH2  ARG  22          2HH2      ARG  22 -25.420   3.877   4.074
  143    HA   PRO  23           HA       PRO  23 -19.993   2.619  -2.511
  144   1HB   PRO  23          HB2       PRO  23 -17.951   4.123  -3.569
  145   2HB   PRO  23          HB1       PRO  23 -19.174   4.771  -2.461
  146   1HG   PRO  23          HG2       PRO  23 -16.316   4.139  -1.931
  147   2HG   PRO  23          HG1       PRO  23 -17.389   5.270  -1.091
  148   1HD   PRO  23          HD2       PRO  23 -16.640   2.670  -0.209
  149   2HD   PRO  23          HD1       PRO  23 -17.886   3.714   0.510
  150    H    GLY  24           H        GLY  24 -18.471   2.812  -4.859
  151   1HA   GLY  24          HA2       GLY  24 -17.637   0.006  -5.200
  152   2HA   GLY  24          HA1       GLY  24 -17.850   1.186  -6.491
  153    H    ALA  25           H        ALA  25 -16.012   2.204  -3.749
  154    HA   ALA  25           HA       ALA  25 -13.668   2.691  -5.350
  155   1HB   ALA  25          HB1       ALA  25 -12.602   3.103  -3.054
  156   2HB   ALA  25          HB2       ALA  25 -14.186   2.737  -2.370
  157   3HB   ALA  25          HB3       ALA  25 -13.992   4.110  -3.460
  158    H    GLN  26           H        GLN  26 -11.746   1.498  -5.487
  159    HA   GLN  26           HA       GLN  26 -11.971  -1.343  -4.789
  160   1HB   GLN  26          HB2       GLN  26 -10.493   0.234  -6.677
  161   2HB   GLN  26          HB1       GLN  26  -9.356  -0.718  -5.720
  162   1HG   GLN  26          HG2       GLN  26  -9.894  -2.292  -7.318
  163   2HG   GLN  26          HG1       GLN  26 -11.170  -2.623  -6.147
  164   1HE2  GLN  26          1HE2      GLN  26 -10.804  -2.330  -9.380
  165   2HE2  GLN  26          2HE2      GLN  26 -12.293  -1.635  -9.802
  166    H    CYS  27           H        CYS  27 -10.681   1.487  -3.366
  167    HA   CYS  27           HA       CYS  27  -9.612  -0.094  -1.137
  168   1HB   CYS  27          HB2       CYS  27  -7.581  -0.114  -2.281
  169   2HB   CYS  27          HB1       CYS  27  -7.883   1.430  -3.063
  170    H    GLY  28           H        GLY  28 -10.248   0.963   0.673
  171   1HA   GLY  28          HA2       GLY  28 -11.449   3.567   0.527
  172   2HA   GLY  28          HA1       GLY  28 -11.146   2.673   2.012
  173    H    GLU  29           H        GLU  29  -8.265   2.387   1.450
  174    HA   GLU  29           HA       GLU  29  -7.135   5.043   1.163
  175   1HB   GLU  29          HB2       GLU  29  -8.245   4.996   3.501
  176   2HB   GLU  29          HB1       GLU  29  -6.944   3.891   3.947
  177   1HG   GLU  29          HG2       GLU  29  -5.727   5.749   4.377
  178   2HG   GLU  29          HG1       GLU  29  -5.606   5.922   2.626
  179    H    GLY  30           H        GLY  30  -4.794   4.966   1.233
  180   1HA   GLY  30          HA2       GLY  30  -3.099   2.978   2.092
  181   2HA   GLY  30          HA1       GLY  30  -3.735   2.320   0.585
  182    H    LEU  31           H        LEU  31  -0.989   2.991   0.961
  183    HA   LEU  31           HA       LEU  31  -0.323   5.586  -0.056
  184   1HB   LEU  31          HB2       LEU  31   1.085   2.998   0.333
  185   2HB   LEU  31          HB1       LEU  31   1.781   4.087  -0.868
  186    HG   LEU  31           HG       LEU  31   1.062   4.928   1.953
  187   1HD1  LEU  31          1HD1      LEU  31   2.865   3.264   2.008
  188   2HD1  LEU  31          2HD1      LEU  31   3.511   4.867   2.361
  189   3HD1  LEU  31          3HD1      LEU  31   3.745   4.154   0.765
  190   1HD2  LEU  31          1HD2      LEU  31   3.056   6.558   0.823
  191   2HD2  LEU  31          2HD2      LEU  31   1.365   6.988   1.077
  192   3HD2  LEU  31          3HD2      LEU  31   1.880   6.311  -0.468
  193    H    CYS  32           H        CYS  32  -1.297   2.598  -1.614
  194    HA   CYS  32           HA       CYS  32  -0.764   3.844  -4.273
  195   1HB   CYS  32          HB2       CYS  32  -1.574   0.972  -3.846
  196   2HB   CYS  32          HB1       CYS  32  -0.677   1.677  -5.191
  197    H    CYS  33           H        CYS  33  -2.986   4.744  -2.717
  198    HA   CYS  33           HA       CYS  33  -5.238   3.670  -4.369
  199   1HB   CYS  33          HB2       CYS  33  -5.377   4.703  -1.518
  200   2HB   CYS  33          HB1       CYS  33  -6.743   4.130  -2.475
  201    H    GLU  34           H        GLU  34  -5.464   5.260  -5.898
  202    HA   GLU  34           HA       GLU  34  -5.499   8.096  -4.959
  203   1HB   GLU  34          HB2       GLU  34  -4.887   6.819  -7.625
  204   2HB   GLU  34          HB1       GLU  34  -5.328   8.523  -7.514
  205   1HG   GLU  34          HG2       GLU  34  -3.492   8.592  -5.639
  206   2HG   GLU  34          HG1       GLU  34  -2.907   7.122  -6.418
  207    H    GLN  35           H        GLN  35  -7.451   9.120  -4.969
  208    HA   GLN  35           HA       GLN  35  -9.729   9.505  -5.375
  209   1HB   GLN  35          HB2       GLN  35  -8.594   9.047  -7.840
  210   2HB   GLN  35          HB1       GLN  35  -9.864   7.824  -7.793
  211   1HG   GLN  35          HG2       GLN  35 -11.136   9.573  -8.559
  212   2HG   GLN  35          HG1       GLN  35 -11.259   9.914  -6.833
  213   1HE2  GLN  35          1HE2      GLN  35 -11.549  12.108  -8.467
  214   2HE2  GLN  35          2HE2      GLN  35 -10.156  13.075  -8.438
  215    H    CYS  36           H        CYS  36  -8.824   7.157  -3.862
  216    HA   CYS  36           HA       CYS  36  -9.795   5.273  -2.859
  217   1HB   CYS  36          HB2       CYS  36 -12.123   6.631  -4.162
  218   2HB   CYS  36          HB1       CYS  36 -12.341   4.987  -3.565
  219    H    LYS  37           H        LYS  37  -8.406   5.042  -5.399
  220    HA   LYS  37           HA       LYS  37  -9.712   2.544  -6.373
  221   1HB   LYS  37          HB2       LYS  37  -9.160   4.985  -7.885
  222   2HB   LYS  37          HB1       LYS  37  -8.384   3.572  -8.599
  223   1HG   LYS  37          HG2       LYS  37 -10.702   2.422  -8.216
  224   2HG   LYS  37          HG1       LYS  37 -11.309   4.074  -8.113
  225   1HD   LYS  37          HD2       LYS  37 -10.688   4.577 -10.325
  226   2HD   LYS  37          HD1       LYS  37  -9.542   3.238 -10.404
  227   1HE   LYS  37          HE2       LYS  37 -11.290   2.311 -11.601
  228   2HE   LYS  37          HE1       LYS  37 -11.747   1.799  -9.975
  229   1HZ   LYS  37          HZ1       LYS  37 -13.407   3.331  -9.855
  230   2HZ   LYS  37          HZ2       LYS  37 -13.429   3.041 -11.528
  231   3HZ   LYS  37          HZ3       LYS  37 -12.653   4.422 -10.912
  232    H    PHE  38           H        PHE  38  -8.161   0.989  -7.248
  233    HA   PHE  38           HA       PHE  38  -5.676   0.942  -5.786
  234   1HB   PHE  38          HB2       PHE  38  -6.769  -0.730  -8.056
  235   2HB   PHE  38          HB1       PHE  38  -5.173  -1.016  -7.367
  236    HD1  PHE  38           HD1      PHE  38  -5.649  -0.419  -4.502
  237    HD2  PHE  38           HD2      PHE  38  -8.059  -2.562  -7.339
  238    HE1  PHE  38           HE1      PHE  38  -6.681  -1.710  -2.653
  239    HE2  PHE  38           HE2      PHE  38  -9.094  -3.849  -5.489
  240    HZ   PHE  38           HZ       PHE  38  -8.404  -3.424  -3.146
  241    H    SER  39           H        SER  39  -4.134   2.457  -6.290
  242    HA   SER  39           HA       SER  39  -3.746   3.835  -8.673
  243   1HB   SER  39          HB2       SER  39  -1.996   3.050  -6.413
  244   2HB   SER  39          HB1       SER  39  -1.158   3.484  -7.901
  245    HG   SER  39           HG       SER  39  -2.339   5.436  -7.899
  246    H    ARG  40           H        ARG  40  -1.923   3.466 -10.312
  247    HA   ARG  40           HA       ARG  40  -2.215   0.752 -11.386
  248   1HB   ARG  40          HB2       ARG  40  -1.920   3.192 -12.574
  249   2HB   ARG  40          HB1       ARG  40  -0.267   2.580 -12.653
  250   1HG   ARG  40          HG2       ARG  40  -1.761   0.370 -13.371
  251   2HG   ARG  40          HG1       ARG  40  -2.653   1.698 -14.116
  252   1HD   ARG  40          HD2       ARG  40  -0.330   2.516 -14.936
  253   2HD   ARG  40          HD1       ARG  40   0.215   0.883 -14.556
  254    HE   ARG  40           HE       ARG  40  -2.183   0.885 -16.198
  255   1HH1  ARG  40          1HH2      ARG  40   0.763  -0.485 -16.038
  256   2HH1  ARG  40          2HH2      ARG  40   1.191  -0.302 -17.707
  257   1HH2  ARG  40          1HH1      ARG  40  -1.435   1.853 -18.413
  258   2HH2  ARG  40          2HH1      ARG  40  -0.054   1.028 -19.052
  259    H    ALA  41           H        ALA  41  -0.550  -0.770 -11.555
  260    HA   ALA  41           HA       ALA  41   1.384  -0.909  -9.514
  261   1HB   ALA  41          HB1       ALA  41   0.560  -2.684 -11.310
  262   2HB   ALA  41          HB2       ALA  41   2.148  -2.836 -10.559
  263   3HB   ALA  41          HB3       ALA  41   1.999  -2.142 -12.174
  264    H    GLY  42           H        GLY  42   3.869  -1.029 -10.065
  265   1HA   GLY  42          HA2       GLY  42   5.798   0.132 -10.769
  266   2HA   GLY  42          HA1       GLY  42   4.840   0.789 -12.097
  267    H    LYS  43           H        LYS  43   3.471   1.161  -8.967
  268    HA   LYS  43           HA       LYS  43   3.983   4.086  -9.133
  269   1HB   LYS  43          HB2       LYS  43   1.670   3.543  -8.854
  270   2HB   LYS  43          HB1       LYS  43   2.024   2.414  -7.546
  271   1HG   LYS  43          HG2       LYS  43   1.151   4.560  -6.673
  272   2HG   LYS  43          HG1       LYS  43   2.807   4.273  -6.137
  273   1HD   LYS  43          HD2       LYS  43   2.366   6.619  -6.984
  274   2HD   LYS  43          HD1       LYS  43   3.688   5.779  -7.795
  275   1HE   LYS  43          HE2       LYS  43   2.312   5.264  -9.692
  276   2HE   LYS  43          HE1       LYS  43   0.852   5.786  -8.851
  277   1HZ   LYS  43          HZ1       LYS  43   1.682   8.031  -8.819
  278   2HZ   LYS  43          HZ2       LYS  43   1.679   7.454 -10.417
  279   3HZ   LYS  43          HZ3       LYS  43   3.136   7.551  -9.548
  280    H    ILE  44           H        ILE  44   5.743   4.793  -8.038
  281    HA   ILE  44           HA       ILE  44   7.149   3.351  -6.040
  282    HB   ILE  44           HB       ILE  44   8.206   5.197  -7.206
  283   1HG1  ILE  44          2HG1      ILE  44   8.951   6.582  -5.195
  284   2HG1  ILE  44          1HG1      ILE  44   7.789   5.658  -4.242
  285   1HG2  ILE  44          1HG2      ILE  44   6.922   7.414  -5.862
  286   2HG2  ILE  44          2HG2      ILE  44   5.730   6.467  -6.753
  287   3HG2  ILE  44          3HG2      ILE  44   7.129   7.137  -7.592
  288   1HD1  ILE  44          1HD1      ILE  44   8.955   3.646  -4.530
  289   2HD1  ILE  44          2HD1      ILE  44  10.263   4.818  -4.375
  290   3HD1  ILE  44          3HD1      ILE  44   9.794   4.227  -5.968
  291    H    CYS  45           H        CYS  45   6.670   2.994  -3.915
  292    HA   CYS  45           HA       CYS  45   4.702   4.832  -2.609
  293   1HB   CYS  45          HB2       CYS  45   3.989   2.755  -1.309
  294   2HB   CYS  45          HB1       CYS  45   3.490   2.819  -2.999
  295    H    ARG  46           H        ARG  46   7.850   3.797  -2.546
  296    HA   ARG  46           HA       ARG  46   8.077   4.560   0.308
  297   1HB   ARG  46          HB2       ARG  46   8.077   1.885  -0.397
  298   2HB   ARG  46          HB1       ARG  46   9.796   2.277  -0.347
  299   1HG   ARG  46          HG2       ARG  46   9.764   2.308   1.900
  300   2HG   ARG  46          HG1       ARG  46   8.477   3.514   1.891
  301   1HD   ARG  46          HD2       ARG  46   7.166   1.178   1.161
  302   2HD   ARG  46          HD1       ARG  46   8.319   0.634   2.382
  303    HE   ARG  46           HE       ARG  46   6.129   2.589   2.825
  304   1HH1  ARG  46          1HH1      ARG  46   6.579  -0.038   4.322
  305   2HH1  ARG  46          2HH1      ARG  46   7.208   0.545   5.827
  306   1HH2  ARG  46          1HH2      ARG  46   7.920   3.711   4.607
  307   2HH2  ARG  46          2HH2      ARG  46   7.970   2.667   5.987
  308    H    ILE  47           H        ILE  47  10.863   3.692   0.410
  309    HA   ILE  47           HA       ILE  47  12.091   6.025  -0.730
  310    HB   ILE  47           HB       ILE  47  12.937   4.865   1.298
  311   1HG1  ILE  47          2HG1      ILE  47  15.408   4.659   0.324
  312   2HG1  ILE  47          1HG1      ILE  47  14.657   5.386  -1.098
  313   1HG2  ILE  47          1HG2      ILE  47  14.312   2.808  -0.343
  314   2HG2  ILE  47          2HG2      ILE  47  12.581   2.569  -0.099
  315   3HG2  ILE  47          3HG2      ILE  47  13.659   2.694   1.292
  316   1HD1  ILE  47          1HD1      ILE  47  15.615   7.053   0.546
  317   2HD1  ILE  47          2HD1      ILE  47  14.385   6.525   1.696
  318   3HD1  ILE  47          3HD1      ILE  47  13.905   7.287   0.180
  319    HA   PRO  48           HA       PRO  48  12.735   4.288  -4.793
  320   1HB   PRO  48          HB2       PRO  48  13.970   6.515  -5.819
  321   2HB   PRO  48          HB1       PRO  48  12.216   6.371  -5.628
  322   1HG   PRO  48          HG2       PRO  48  14.153   7.951  -4.007
  323   2HG   PRO  48          HG1       PRO  48  12.423   8.228  -4.274
  324   1HD   PRO  48          HD2       PRO  48  13.588   7.077  -1.962
  325   2HD   PRO  48          HD1       PRO  48  11.862   7.081  -2.371
  326    H    ARG  49           H        ARG  49  15.365   6.242  -3.331
  327    HA   ARG  49           HA       ARG  49  17.310   4.246  -4.398
  328   1HB   ARG  49          HB2       ARG  49  17.759   7.109  -3.502
  329   2HB   ARG  49          HB1       ARG  49  19.007   6.028  -4.123
  330   1HG   ARG  49          HG2       ARG  49  18.446   7.088  -6.091
  331   2HG   ARG  49          HG1       ARG  49  17.249   5.792  -6.130
  332   1HD   ARG  49          HD2       ARG  49  15.642   7.325  -4.960
  333   2HD   ARG  49          HD1       ARG  49  16.827   8.620  -5.126
  334    HE   ARG  49           HE       ARG  49  15.091   7.645  -7.222
  335   1HH1  ARG  49          1HH1      ARG  49  17.571   9.772  -6.383
  336   2HH1  ARG  49          2HH1      ARG  49  18.103  10.058  -8.005
  337   1HH2  ARG  49          1HH2      ARG  49  16.054   7.629  -9.390
  338   2HH2  ARG  49          2HH2      ARG  49  17.242   8.848  -9.708
  339    H    GLY  50           H        GLY  50  18.243   6.439  -1.871
  340   1HA   GLY  50          HA2       GLY  50  19.019   5.997   0.298
  341   2HA   GLY  50          HA1       GLY  50  17.580   4.990   0.444
  342    H    GLU  51           H        GLU  51  18.358   3.123   1.362
  343    HA   GLU  51           HA       GLU  51  20.789   1.890   0.148
  344   1HB   GLU  51          HB2       GLU  51  19.445   1.464   2.831
  345   2HB   GLU  51          HB1       GLU  51  20.790   0.486   2.242
  346   1HG   GLU  51          HG2       GLU  51  22.164   2.042   3.129
  347   2HG   GLU  51          HG1       GLU  51  21.632   3.116   1.835
  348    H    MET  52           H        MET  52  17.690   1.806  -0.516
  349    HA   MET  52           HA       MET  52  17.727  -1.116  -1.087
  350   1HB   MET  52          HB2       MET  52  15.035  -0.164  -0.470
  351   2HB   MET  52          HB1       MET  52  15.877  -1.592   0.124
  352   1HG   MET  52          HG2       MET  52  17.201   0.074   1.614
  353   2HG   MET  52          HG1       MET  52  15.899   1.205   1.246
  354   1HE   MET  52          HE1       MET  52  16.483  -0.805   4.539
  355   2HE   MET  52          HE2       MET  52  15.276   0.468   4.698
  356   3HE   MET  52          HE3       MET  52  16.714   0.746   3.719
  357    HA   PRO  53           HA       PRO  53  16.063   0.054  -4.972
  358   1HB   PRO  53          HB2       PRO  53  14.265  -1.965  -5.471
  359   2HB   PRO  53          HB1       PRO  53  16.023  -2.179  -5.543
  360   1HG   PRO  53          HG2       PRO  53  14.106  -3.098  -3.452
  361   2HG   PRO  53          HG1       PRO  53  15.679  -3.773  -3.906
  362   1HD   PRO  53          HD2       PRO  53  15.160  -2.141  -1.650
  363   2HD   PRO  53          HD1       PRO  53  16.762  -2.555  -2.295
  364    H    ASP  54           H        ASP  54  14.399   1.317  -5.842
  365    HA   ASP  54           HA       ASP  54  12.513   2.593  -4.246
  366   1HB   ASP  54          HB2       ASP  54  11.926   1.888  -7.130
  367   2HB   ASP  54          HB1       ASP  54  11.462   3.343  -6.248
  368    H    ASP  55           H        ASP  55  10.183   2.286  -3.988
  369    HA   ASP  55           HA       ASP  55   9.401  -0.595  -4.194
  370   1HB   ASP  55          HB2       ASP  55   9.396   1.131  -1.972
  371   2HB   ASP  55          HB1       ASP  55   7.706   0.983  -2.448
  372    H    ARG  56           H        ARG  56   8.228  -0.748  -6.069
  373    HA   ARG  56           HA       ARG  56   6.283   1.409  -6.714
  374   1HB   ARG  56          HB2       ARG  56   7.012  -0.969  -8.423
  375   2HB   ARG  56          HB1       ARG  56   6.257   0.542  -8.928
  376   1HG   ARG  56          HG2       ARG  56   8.694   1.199  -7.606
  377   2HG   ARG  56          HG1       ARG  56   9.044  -0.070  -8.781
  378   1HD   ARG  56          HD2       ARG  56   7.509   1.406 -10.352
  379   2HD   ARG  56          HD1       ARG  56   7.976   2.690  -9.237
  380    HE   ARG  56           HE       ARG  56  10.363   1.401  -9.931
  381   1HH1  ARG  56          1HH2      ARG  56   8.117   1.624 -12.303
  382   2HH1  ARG  56          2HH2      ARG  56   8.929   2.818 -13.257
  383   1HH2  ARG  56          1HH1      ARG  56  11.279   3.554 -10.816
  384   2HH2  ARG  56          2HH1      ARG  56  10.719   3.913 -12.415
  385    H    CYS  57           H        CYS  57   4.130   1.090  -6.468
  386    HA   CYS  57           HA       CYS  57   3.100  -1.207  -5.119
  387   1HB   CYS  57          HB2       CYS  57   1.562   0.729  -6.877
  388   2HB   CYS  57          HB1       CYS  57   0.900  -0.282  -5.593
  389    H    THR  58           H        THR  58   1.965  -3.011  -5.950
  390    HA   THR  58           HA       THR  58   2.798  -3.882  -8.590
  391    HB   THR  58           HB       THR  58   1.621  -5.939  -8.070
  392    HG1  THR  58           HG1      THR  58   0.559  -5.701  -5.800
  393   1HG2  THR  58          1HG2      THR  58   2.615  -5.135  -5.369
  394   2HG2  THR  58          2HG2      THR  58   3.746  -5.086  -6.720
  395   3HG2  THR  58          3HG2      THR  58   2.945  -6.598  -6.297
  396    H    GLY  59           H        GLY  59   0.419  -1.779  -7.687
  397   1HA   GLY  59          HA1       GLY  59  -1.123  -0.794  -9.248
  398   2HA   GLY  59          HA2       GLY  59  -1.031  -2.260 -10.224
  399    H    GLN  60           H        GLN  60  -1.638  -4.255  -8.505
  400    HA   GLN  60           HA       GLN  60  -4.480  -3.741  -7.939
  401   1HB   GLN  60          HB2       GLN  60  -2.814  -6.265  -7.689
  402   2HB   GLN  60          HB1       GLN  60  -4.564  -6.180  -7.487
  403   1HG   GLN  60          HG2       GLN  60  -3.854  -4.894  -9.954
  404   2HG   GLN  60          HG1       GLN  60  -3.111  -6.493  -9.909
  405   1HE2  GLN  60          1HE2      GLN  60  -4.628  -7.405 -11.460
  406   2HE2  GLN  60          2HE2      GLN  60  -6.256  -7.676 -11.060
  407    H    SER  61           H        SER  61  -1.638  -3.349  -6.244
  408    HA   SER  61           HA       SER  61  -2.807  -4.179  -3.639
  409   1HB   SER  61          HB2       SER  61  -0.069  -2.999  -4.157
  410   2HB   SER  61          HB1       SER  61  -0.611  -3.845  -2.712
  411    HG   SER  61           HG       SER  61  -0.658  -5.731  -3.832
  412    H    ALA  62           H        ALA  62  -3.638  -2.687  -2.234
  413    HA   ALA  62           HA       ALA  62  -3.829   0.097  -3.107
  414   1HB   ALA  62          HB1       ALA  62  -5.748  -0.163  -1.949
  415   2HB   ALA  62          HB2       ALA  62  -4.776  -0.052  -0.482
  416   3HB   ALA  62          HB3       ALA  62  -5.155  -1.630  -1.173
  417    H    ASP  63           H        ASP  63  -2.616  -1.440  -0.102
  418    HA   ASP  63           HA       ASP  63  -1.099   0.988   0.551
  419   1HB   ASP  63          HB2       ASP  63  -0.905  -1.690   1.943
  420   2HB   ASP  63          HB1       ASP  63  -0.570  -0.091   2.609
  421    H    CYS  64           H        CYS  64   1.298   0.307   1.428
  422    HA   CYS  64           HA       CYS  64   2.584  -1.138  -0.852
  423   1HB   CYS  64          HB2       CYS  64   3.006   1.296  -0.897
  424   2HB   CYS  64          HB1       CYS  64   3.684   1.204   0.727
  425    HA   PRO  65           HA       PRO  65   4.138  -3.744   2.316
  426   1HB   PRO  65          HB2       PRO  65   5.637  -5.280   0.622
  427   2HB   PRO  65          HB1       PRO  65   3.891  -5.457   0.796
  428   1HG   PRO  65          HG2       PRO  65   5.465  -4.292  -1.438
  429   2HG   PRO  65          HG1       PRO  65   3.830  -4.974  -1.455
  430   1HD   PRO  65          HD2       PRO  65   4.510  -2.217  -1.438
  431   2HD   PRO  65          HD1       PRO  65   2.892  -2.912  -1.208
  432    H    ARG  66           H        ARG  66   6.628  -4.869   2.361
  433    HA   ARG  66           HA       ARG  66   8.593  -2.663   1.974
  434   1HB   ARG  66          HB2       ARG  66   8.806  -4.266   4.483
  435   2HB   ARG  66          HB1       ARG  66   9.249  -2.586   4.184
  436   1HG   ARG  66          HG2       ARG  66   6.629  -2.294   3.885
  437   2HG   ARG  66          HG1       ARG  66   6.579  -3.747   4.885
  438   1HD   ARG  66          HD2       ARG  66   8.142  -1.258   5.624
  439   2HD   ARG  66          HD1       ARG  66   6.509  -1.595   6.200
  440    HE   ARG  66           HE       ARG  66   8.333  -3.798   6.724
  441   1HH1  ARG  66          1HH2      ARG  66   6.173  -1.727   8.131
  442   2HH1  ARG  66          2HH2      ARG  66   7.028  -1.529   9.625
  443   1HH2  ARG  66          1HH1      ARG  66   9.902  -3.106   8.497
  444   2HH2  ARG  66          2HH1      ARG  66   9.136  -2.311   9.831
  445    H    TYR  67           H        TYR  67   9.863  -3.692   0.454
  446    HA   TYR  67           HA       TYR  67  10.357  -6.540   0.476
  447   1HB   TYR  67          HB2       TYR  67  10.792  -4.415  -1.309
  448   2HB   TYR  67          HB1       TYR  67  12.401  -5.021  -0.918
  449    HD1  TYR  67           HD2      TYR  67   8.977  -6.236  -1.853
  450    HD2  TYR  67           HD1      TYR  67  13.215  -6.921  -2.012
  451    HE1  TYR  67           HE2      TYR  67   8.606  -8.193  -3.331
  452    HE2  TYR  67           HE1      TYR  67  12.843  -8.878  -3.491
  453    HH   TYR  67           HH       TYR  67   9.775  -9.537  -4.929
  454    H    HIS  68           H        HIS  68  11.728  -3.902   2.204
  455    HA   HIS  68           HA       HIS  68  13.910  -5.716   3.146
  456   1HB   HIS  68          HB2       HIS  68  14.221  -3.259   1.749
  457   2HB   HIS  68          HB1       HIS  68  14.686  -2.961   3.424
  458    HD1  HIS  68           HD1      HIS  68  16.220  -5.193   4.381
  459    HD2  HIS  68           HD2      HIS  68  16.393  -4.188   0.339
  460    HE1  HIS  68           HE1      HIS  68  18.356  -6.212   3.480
  Start of MODEL   16
    1   1H    GLY   1          HT1       GLY   1  -8.734 -14.783   5.163
    2   2H    GLY   1          HT2       GLY   1  -9.748 -16.112   4.858
    3   3H    GLY   1          HT3       GLY   1  -9.678 -15.432   6.413
    4   1HA   GLY   1          HA1       GLY   1 -10.777 -14.159   3.967
    5   2HA   GLY   1          HA2       GLY   1 -11.695 -14.718   5.366
    6    H    LYS   2           H        LYS   2 -11.454 -11.970   4.263
    7    HA   LYS   2           HA       LYS   2 -10.442 -10.653   6.749
    8   1HB   LYS   2          HB2       LYS   2  -9.891  -8.692   5.138
    9   2HB   LYS   2          HB1       LYS   2  -8.788 -10.068   5.170
   10   1HG   LYS   2          HG2       LYS   2 -11.090 -10.161   3.264
   11   2HG   LYS   2          HG1       LYS   2  -9.725  -9.116   2.865
   12   1HD   LYS   2          HD2       LYS   2  -8.755 -11.661   3.815
   13   2HD   LYS   2          HD1       LYS   2  -9.901 -11.915   2.499
   14   1HE   LYS   2          HE2       LYS   2  -8.489  -9.847   1.474
   15   2HE   LYS   2          HE1       LYS   2  -7.238 -10.603   2.460
   16   1HZ   LYS   2          HZ1       LYS   2  -7.968 -11.393  -0.023
   17   2HZ   LYS   2          HZ2       LYS   2  -8.807 -12.488   0.968
   18   3HZ   LYS   2          HZ3       LYS   2  -7.119 -12.343   1.096
   19    H    GLU   3           H        GLU   3 -11.712  -8.895   7.470
   20    HA   GLU   3           HA       GLU   3 -14.207  -8.378   5.901
   21   1HB   GLU   3          HB2       GLU   3 -15.494  -8.350   7.946
   22   2HB   GLU   3          HB1       GLU   3 -14.580  -9.859   7.912
   23   1HG   GLU   3          HG2       GLU   3 -12.776  -8.316   9.169
   24   2HG   GLU   3          HG1       GLU   3 -14.245  -7.482   9.674
   25    H    CYS   4           H        CYS   4 -11.705  -6.851   5.980
   26    HA   CYS   4           HA       CYS   4 -12.880  -4.251   6.616
   27   1HB   CYS   4          HB2       CYS   4 -11.972  -4.956   8.810
   28   2HB   CYS   4          HB1       CYS   4 -10.382  -5.160   8.076
   29    H    ASP   5           H        ASP   5 -12.527  -3.845   4.391
   30    HA   ASP   5           HA       ASP   5  -9.960  -4.240   3.122
   31   1HB   ASP   5          HB2       ASP   5 -12.475  -2.744   2.393
   32   2HB   ASP   5          HB1       ASP   5 -11.023  -2.609   1.399
   33    H    CYS   6           H        CYS   6 -11.353  -1.666   5.035
   34    HA   CYS   6           HA       CYS   6  -9.065   0.094   4.274
   35   1HB   CYS   6          HB2       CYS   6 -10.368   1.955   4.891
   36   2HB   CYS   6          HB1       CYS   6 -11.543   0.871   4.159
   37    H    SER   7           H        SER   7  -8.760   1.639   6.540
   38    HA   SER   7           HA       SER   7  -8.371  -0.308   8.759
   39   1HB   SER   7          HB2       SER   7  -6.224   1.617   7.837
   40   2HB   SER   7          HB1       SER   7  -6.083   0.389   9.092
   41    HG   SER   7           HG       SER   7  -5.577  -0.945   7.564
   42    H    SER   8           H        SER   8 -10.252   1.975   8.322
   43    HA   SER   8           HA       SER   8  -9.937   3.190  10.930
   44   1HB   SER   8          HB2       SER   8  -9.745   5.160   8.661
   45   2HB   SER   8          HB1       SER   8  -9.372   5.402  10.365
   46    HG   SER   8           HG       SER   8  -7.861   4.275   8.330
   47    HA   PRO   9           HA       PRO   9 -14.256   3.601  10.125
   48   1HB   PRO   9          HB2       PRO   9 -14.890   4.996  12.406
   49   2HB   PRO   9          HB1       PRO   9 -14.555   3.256  12.385
   50   1HG   PRO   9          HG2       PRO   9 -12.840   5.484  13.372
   51   2HG   PRO   9          HG1       PRO   9 -12.853   3.780  13.854
   52   1HD   PRO   9          HD2       PRO   9 -10.982   5.006  12.109
   53   2HD   PRO   9          HD1       PRO   9 -11.189   3.261  12.366
   54    H    GLU  10           H        GLU  10 -12.291   6.434  10.964
   55    HA   GLU  10           HA       GLU  10 -14.243   8.413  10.217
   56   1HB   GLU  10          HB2       GLU  10 -12.064   8.746  11.564
   57   2HB   GLU  10          HB1       GLU  10 -11.251   8.788   9.999
   58   1HG   GLU  10          HG2       GLU  10 -11.730  11.015  10.082
   59   2HG   GLU  10          HG1       GLU  10 -13.326  10.497   9.538
   60    H    ASN  11           H        ASN  11 -12.148   6.331   8.417
   61    HA   ASN  11           HA       ASN  11 -11.786   7.791   6.031
   62   1HB   ASN  11          HB2       ASN  11 -10.748   5.585   6.495
   63   2HB   ASN  11          HB1       ASN  11 -12.326   4.821   6.305
   64   1HD2  ASN  11          1HD2      ASN  11 -10.418   3.930   4.553
   65   2HD2  ASN  11          2HD2      ASN  11 -10.665   4.574   3.003
   66    HA   PRO  12           HA       PRO  12 -16.097   8.064   4.880
   67   1HB   PRO  12          HB2       PRO  12 -15.666   9.705   2.719
   68   2HB   PRO  12          HB1       PRO  12 -15.709  10.283   4.393
   69   1HG   PRO  12          HG2       PRO  12 -13.360   9.909   2.599
   70   2HG   PRO  12          HG1       PRO  12 -13.555  11.002   3.979
   71   1HD   PRO  12          HD2       PRO  12 -12.148   8.537   3.982
   72   2HD   PRO  12          HD1       PRO  12 -12.599   9.492   5.412
   73    H    CYS  13           H        CYS  13 -13.513   6.637   3.156
   74    HA   CYS  13           HA       CYS  13 -15.266   5.833   0.900
   75   1HB   CYS  13          HB2       CYS  13 -12.338   6.021   1.342
   76   2HB   CYS  13          HB1       CYS  13 -12.883   4.680   0.334
   77    H    CYS  14           H        CYS  14 -14.826   4.733   3.935
   78    HA   CYS  14           HA       CYS  14 -15.357   1.962   3.053
   79   1HB   CYS  14          HB2       CYS  14 -13.577   0.969   4.085
   80   2HB   CYS  14          HB1       CYS  14 -12.832   2.534   3.797
   81    H    ASP  15           H        ASP  15 -17.087   1.173   4.071
   82    HA   ASP  15           HA       ASP  15 -18.477   2.657   6.092
   83   1HB   ASP  15          HB2       ASP  15 -19.316   0.808   4.405
   84   2HB   ASP  15          HB1       ASP  15 -18.901  -0.293   5.719
   85    H    ALA  16           H        ALA  16 -18.087   2.706   8.253
   86    HA   ALA  16           HA       ALA  16 -15.963   1.123   9.422
   87   1HB   ALA  16          HB1       ALA  16 -17.053   2.123  11.601
   88   2HB   ALA  16          HB2       ALA  16 -17.973   3.101  10.458
   89   3HB   ALA  16          HB3       ALA  16 -16.213   3.191  10.477
   90    H    ALA  17           H        ALA  17 -19.516   1.022   9.596
   91    HA   ALA  17           HA       ALA  17 -19.820  -0.973  11.556
   92   1HB   ALA  17          HB1       ALA  17 -21.573  -1.233   9.179
   93   2HB   ALA  17          HB2       ALA  17 -21.541   0.363   9.929
   94   3HB   ALA  17          HB3       ALA  17 -22.004  -1.048  10.880
   95    H    THR  18           H        THR  18 -18.557  -1.216   8.335
   96    HA   THR  18           HA       THR  18 -18.433  -4.188   8.665
   97    HB   THR  18           HB       THR  18 -18.805  -4.500   6.379
   98    HG1  THR  18           HG1      THR  18 -18.322  -3.000   4.866
   99   1HG2  THR  18          1HG2      THR  18 -20.324  -1.919   6.723
  100   2HG2  THR  18          2HG2      THR  18 -20.746  -3.355   7.656
  101   3HG2  THR  18          3HG2      THR  18 -20.831  -3.391   5.895
  102    H    CYS  19           H        CYS  19 -16.687  -1.273   8.347
  103    HA   CYS  19           HA       CYS  19 -14.366  -0.888   8.299
  104   1HB   CYS  19          HB2       CYS  19 -14.602  -3.219   9.654
  105   2HB   CYS  19          HB1       CYS  19 -13.707  -3.789   8.245
  106    H    LYS  20           H        LYS  20 -16.135  -1.968   5.896
  107    HA   LYS  20           HA       LYS  20 -13.812  -2.532   4.095
  108   1HB   LYS  20          HB2       LYS  20 -16.729  -3.193   3.611
  109   2HB   LYS  20          HB1       LYS  20 -15.352  -3.698   2.631
  110   1HG   LYS  20          HG2       LYS  20 -14.493  -5.080   4.407
  111   2HG   LYS  20          HG1       LYS  20 -15.661  -4.425   5.557
  112   1HD   LYS  20          HD2       LYS  20 -17.335  -5.319   3.604
  113   2HD   LYS  20          HD1       LYS  20 -16.024  -6.491   3.468
  114   1HE   LYS  20          HE2       LYS  20 -16.246  -7.161   5.741
  115   2HE   LYS  20          HE1       LYS  20 -17.255  -5.768   6.131
  116   1HZ   LYS  20          HZ1       LYS  20 -18.470  -7.132   4.029
  117   2HZ   LYS  20          HZ2       LYS  20 -19.022  -6.969   5.628
  118   3HZ   LYS  20          HZ3       LYS  20 -18.049  -8.292   5.193
  119    H    LEU  21           H        LEU  21 -14.886  -1.988   1.661
  120    HA   LEU  21           HA       LEU  21 -14.918   0.921   1.653
  121   1HB   LEU  21          HB2       LEU  21 -15.029  -1.209  -0.465
  122   2HB   LEU  21          HB1       LEU  21 -15.341   0.479  -0.876
  123    HG   LEU  21           HG       LEU  21 -13.039   0.407   0.808
  124   1HD1  LEU  21          1HD1      LEU  21 -13.168  -2.036  -0.275
  125   2HD1  LEU  21          2HD1      LEU  21 -11.635  -1.185  -0.077
  126   3HD1  LEU  21          3HD1      LEU  21 -12.447  -1.186  -1.642
  127   1HD2  LEU  21          1HD2      LEU  21 -12.180   0.928  -1.779
  128   2HD2  LEU  21          2HD2      LEU  21 -12.823   2.125  -0.654
  129   3HD2  LEU  21          3HD2      LEU  21 -13.890   1.359  -1.830
  130    H    ARG  22           H        ARG  22 -16.684   2.233   1.509
  131    HA   ARG  22           HA       ARG  22 -19.334   0.993   1.727
  132   1HB   ARG  22          HB2       ARG  22 -18.221   3.334   2.704
  133   2HB   ARG  22          HB1       ARG  22 -19.280   3.904   1.413
  134   1HG   ARG  22          HG2       ARG  22 -20.877   2.036   2.602
  135   2HG   ARG  22          HG1       ARG  22 -19.972   2.638   3.992
  136   1HD   ARG  22          HD2       ARG  22 -20.598   4.938   3.439
  137   2HD   ARG  22          HD1       ARG  22 -21.438   4.385   1.992
  138    HE   ARG  22           HE       ARG  22 -23.000   3.156   3.564
  139   1HH1  ARG  22          1HH1      ARG  22 -20.855   4.351   5.690
  140   2HH1  ARG  22          2HH1      ARG  22 -21.944   5.377   6.564
  141   1HH2  ARG  22          1HH2      ARG  22 -24.498   5.094   4.234
  142   2HH2  ARG  22          2HH2      ARG  22 -24.008   5.798   5.740
  143    HA   PRO  23           HA       PRO  23 -19.930   3.279  -2.414
  144   1HB   PRO  23          HB2       PRO  23 -17.750   4.537  -3.514
  145   2HB   PRO  23          HB1       PRO  23 -18.864   5.325  -2.384
  146   1HG   PRO  23          HG2       PRO  23 -16.090   4.361  -1.908
  147   2HG   PRO  23          HG1       PRO  23 -17.003   5.614  -1.053
  148   1HD   PRO  23          HD2       PRO  23 -16.553   2.944  -0.170
  149   2HD   PRO  23          HD1       PRO  23 -17.652   4.132   0.565
  150    H    GLY  24           H        GLY  24 -18.460   3.265  -4.790
  151   1HA   GLY  24          HA2       GLY  24 -17.849   0.383  -5.056
  152   2HA   GLY  24          HA1       GLY  24 -18.079   1.517  -6.387
  153    H    ALA  25           H        ALA  25 -15.984   2.057  -3.598
  154    HA   ALA  25           HA       ALA  25 -13.723   2.538  -5.414
  155   1HB   ALA  25          HB1       ALA  25 -13.490   4.103  -3.768
  156   2HB   ALA  25          HB2       ALA  25 -12.699   2.795  -2.889
  157   3HB   ALA  25          HB3       ALA  25 -14.402   3.147  -2.600
  158    H    GLN  26           H        GLN  26 -11.927   1.229  -5.602
  159    HA   GLN  26           HA       GLN  26 -12.188  -1.528  -4.679
  160   1HB   GLN  26          HB2       GLN  26 -10.752  -0.153  -6.717
  161   2HB   GLN  26          HB1       GLN  26  -9.564  -0.965  -5.696
  162   1HG   GLN  26          HG2       GLN  26 -10.100  -2.695  -7.138
  163   2HG   GLN  26          HG1       GLN  26 -11.290  -2.967  -5.866
  164   1HE2  GLN  26          1HE2      GLN  26 -12.601  -4.006  -7.677
  165   2HE2  GLN  26          2HE2      GLN  26 -13.527  -2.995  -8.680
  166    H    CYS  27           H        CYS  27 -10.786   1.355  -3.485
  167    HA   CYS  27           HA       CYS  27  -9.789  -0.061  -1.124
  168   1HB   CYS  27          HB2       CYS  27  -7.770  -0.307  -2.316
  169   2HB   CYS  27          HB1       CYS  27  -7.944   1.247  -3.123
  170    H    GLY  28           H        GLY  28  -9.937   1.288   0.658
  171   1HA   GLY  28          HA2       GLY  28 -10.964   4.020   0.137
  172   2HA   GLY  28          HA1       GLY  28 -11.069   3.159   1.673
  173    H    GLU  29           H        GLU  29  -8.139   2.375   1.202
  174    HA   GLU  29           HA       GLU  29  -6.650   4.857   1.313
  175   1HB   GLU  29          HB2       GLU  29  -6.092   4.869   3.646
  176   2HB   GLU  29          HB1       GLU  29  -7.847   4.790   3.545
  177   1HG   GLU  29          HG2       GLU  29  -7.699   2.991   4.900
  178   2HG   GLU  29          HG1       GLU  29  -7.094   2.124   3.487
  179    H    GLY  30           H        GLY  30  -4.368   4.449   1.393
  180   1HA   GLY  30          HA2       GLY  30  -2.969   2.180   2.073
  181   2HA   GLY  30          HA1       GLY  30  -3.634   1.769   0.491
  182    H    LEU  31           H        LEU  31  -0.799   2.216   1.235
  183    HA   LEU  31           HA       LEU  31   0.140   4.757   0.374
  184   1HB   LEU  31          HB2       LEU  31   1.436   2.022   0.184
  185   2HB   LEU  31          HB1       LEU  31   2.279   3.538  -0.131
  186    HG   LEU  31           HG       LEU  31   0.784   3.509   2.404
  187   1HD1  LEU  31          1HD1      LEU  31   3.332   1.920   2.377
  188   2HD1  LEU  31          2HD1      LEU  31   1.807   1.113   2.009
  189   3HD1  LEU  31          3HD1      LEU  31   2.028   1.914   3.565
  190   1HD2  LEU  31          1HD2      LEU  31   3.289   4.544   1.229
  191   2HD2  LEU  31          2HD2      LEU  31   3.408   4.104   2.933
  192   3HD2  LEU  31          3HD2      LEU  31   2.210   5.287   2.410
  193    H    CYS  32           H        CYS  32  -1.355   2.243  -1.403
  194    HA   CYS  32           HA       CYS  32  -0.491   3.564  -3.946
  195   1HB   CYS  32          HB2       CYS  32  -1.269   0.655  -3.777
  196   2HB   CYS  32          HB1       CYS  32  -0.360   1.478  -5.044
  197    H    CYS  33           H        CYS  33  -2.769   4.379  -2.490
  198    HA   CYS  33           HA       CYS  33  -4.964   3.325  -4.232
  199   1HB   CYS  33          HB2       CYS  33  -5.082   4.287  -1.360
  200   2HB   CYS  33          HB1       CYS  33  -6.508   3.964  -2.348
  201    H    GLU  34           H        GLU  34  -5.553   4.852  -5.678
  202    HA   GLU  34           HA       GLU  34  -5.342   7.718  -4.847
  203   1HB   GLU  34          HB2       GLU  34  -4.026   6.621  -6.920
  204   2HB   GLU  34          HB1       GLU  34  -5.548   6.994  -7.729
  205   1HG   GLU  34          HG2       GLU  34  -4.889   9.136  -7.900
  206   2HG   GLU  34          HG1       GLU  34  -4.919   9.247  -6.140
  207    H    GLN  35           H        GLN  35  -7.273   8.747  -4.650
  208    HA   GLN  35           HA       GLN  35  -9.558   9.221  -4.904
  209   1HB   GLN  35          HB2       GLN  35  -8.636   8.298  -7.483
  210   2HB   GLN  35          HB1       GLN  35 -10.289   7.746  -7.203
  211   1HG   GLN  35          HG2       GLN  35 -10.940  10.066  -6.603
  212   2HG   GLN  35          HG1       GLN  35  -9.298  10.603  -6.958
  213   1HE2  GLN  35          1HE2      GLN  35  -9.529  11.760  -8.904
  214   2HE2  GLN  35          2HE2      GLN  35 -10.265  11.139 -10.301
  215    H    CYS  36           H        CYS  36  -8.636   6.878  -3.422
  216    HA   CYS  36           HA       CYS  36  -9.590   5.048  -2.320
  217   1HB   CYS  36          HB2       CYS  36 -12.089   6.086  -3.688
  218   2HB   CYS  36          HB1       CYS  36 -12.074   4.816  -2.465
  219    H    LYS  37           H        LYS  37  -8.387   4.725  -4.972
  220    HA   LYS  37           HA       LYS  37  -9.767   2.188  -5.703
  221   1HB   LYS  37          HB2       LYS  37 -10.002   4.434  -7.276
  222   2HB   LYS  37          HB1       LYS  37  -8.605   3.627  -7.992
  223   1HG   LYS  37          HG2       LYS  37  -9.824   1.777  -8.637
  224   2HG   LYS  37          HG1       LYS  37 -10.977   1.944  -7.312
  225   1HD   LYS  37          HD2       LYS  37 -12.264   3.500  -8.442
  226   2HD   LYS  37          HD1       LYS  37 -10.901   4.093  -9.392
  227   1HE   LYS  37          HE2       LYS  37 -10.915   1.727 -10.473
  228   2HE   LYS  37          HE1       LYS  37 -12.546   1.604  -9.813
  229   1HZ   LYS  37          HZ1       LYS  37 -12.100   2.614 -12.180
  230   2HZ   LYS  37          HZ2       LYS  37 -11.833   4.032 -11.282
  231   3HZ   LYS  37          HZ3       LYS  37 -13.325   3.226 -11.180
  232    H    PHE  38           H        PHE  38  -8.299   0.722  -6.945
  233    HA   PHE  38           HA       PHE  38  -5.665   0.665  -5.752
  234   1HB   PHE  38          HB2       PHE  38  -6.889  -0.946  -8.011
  235   2HB   PHE  38          HB1       PHE  38  -5.305  -1.275  -7.310
  236    HD1  PHE  38           HD1      PHE  38  -5.829  -0.687  -4.438
  237    HD2  PHE  38           HD2      PHE  38  -8.194  -2.794  -7.339
  238    HE1  PHE  38           HE1      PHE  38  -6.904  -1.987  -2.619
  239    HE2  PHE  38           HE2      PHE  38  -9.270  -4.091  -5.521
  240    HZ   PHE  38           HZ       PHE  38  -8.624  -3.687  -3.161
  241    H    SER  39           H        SER  39  -4.110   2.093  -6.401
  242    HA   SER  39           HA       SER  39  -4.100   3.537  -8.835
  243   1HB   SER  39          HB2       SER  39  -2.421   3.326  -6.570
  244   2HB   SER  39          HB1       SER  39  -1.396   2.999  -7.965
  245    HG   SER  39           HG       SER  39  -1.405   5.114  -8.074
  246    H    ARG  40           H        ARG  40  -1.969   3.217 -10.347
  247    HA   ARG  40           HA       ARG  40  -2.269   0.461 -11.424
  248   1HB   ARG  40          HB2       ARG  40  -1.422   1.340 -13.501
  249   2HB   ARG  40          HB1       ARG  40  -2.614   2.496 -12.903
  250   1HG   ARG  40          HG2       ARG  40  -0.754   3.818 -11.882
  251   2HG   ARG  40          HG1       ARG  40   0.398   2.709 -12.627
  252   1HD   ARG  40          HD2       ARG  40   0.001   4.800 -13.968
  253   2HD   ARG  40          HD1       ARG  40  -0.359   3.314 -14.847
  254    HE   ARG  40           HE       ARG  40  -2.668   4.505 -13.481
  255   1HH1  ARG  40          1HH2      ARG  40  -1.240   6.276 -15.648
  256   2HH1  ARG  40          2HH2      ARG  40  -2.263   5.944 -17.006
  257   1HH2  ARG  40          1HH1      ARG  40  -3.790   3.206 -15.524
  258   2HH2  ARG  40          2HH1      ARG  40  -3.709   4.208 -16.935
  259    H    ALA  41           H        ALA  41  -0.390  -0.819 -11.880
  260    HA   ALA  41           HA       ALA  41   1.630  -0.912  -9.972
  261   1HB   ALA  41          HB1       ALA  41   1.308  -1.952 -12.720
  262   2HB   ALA  41          HB2       ALA  41   1.827  -2.786 -11.256
  263   3HB   ALA  41          HB3       ALA  41   2.979  -1.818 -12.175
  264    H    GLY  42           H        GLY  42   4.060  -0.500 -10.449
  265   1HA   GLY  42          HA2       GLY  42   5.776   1.037 -10.953
  266   2HA   GLY  42          HA1       GLY  42   4.723   1.713 -12.198
  267    H    LYS  43           H        LYS  43   3.489   1.389  -8.967
  268    HA   LYS  43           HA       LYS  43   3.404   4.356  -8.767
  269   1HB   LYS  43          HB2       LYS  43   1.281   3.175  -8.470
  270   2HB   LYS  43          HB1       LYS  43   1.979   2.207  -7.172
  271   1HG   LYS  43          HG2       LYS  43   0.612   4.182  -6.381
  272   2HG   LYS  43          HG1       LYS  43   2.268   4.152  -5.777
  273   1HD   LYS  43          HD2       LYS  43   2.900   5.975  -7.016
  274   2HD   LYS  43          HD1       LYS  43   1.832   5.564  -8.357
  275   1HE   LYS  43          HE2       LYS  43   1.113   7.625  -7.126
  276   2HE   LYS  43          HE1       LYS  43  -0.108   6.353  -7.123
  277   1HZ   LYS  43          HZ1       LYS  43   0.190   7.330  -4.926
  278   2HZ   LYS  43          HZ2       LYS  43   1.828   6.879  -4.932
  279   3HZ   LYS  43          HZ3       LYS  43   0.616   5.689  -4.929
  280    H    ILE  44           H        ILE  44   4.996   5.304  -7.618
  281    HA   ILE  44           HA       ILE  44   6.804   3.867  -5.924
  282    HB   ILE  44           HB       ILE  44   6.317   6.704  -6.666
  283   1HG1  ILE  44          2HG1      ILE  44   7.930   5.314  -7.859
  284   2HG1  ILE  44          1HG1      ILE  44   8.786   6.589  -6.987
  285   1HG2  ILE  44          1HG2      ILE  44   6.409   6.921  -4.217
  286   2HG2  ILE  44          2HG2      ILE  44   7.895   7.537  -4.939
  287   3HG2  ILE  44          3HG2      ILE  44   7.879   5.948  -4.174
  288   1HD1  ILE  44          1HD1      ILE  44   9.955   5.050  -5.837
  289   2HD1  ILE  44          2HD1      ILE  44   9.157   3.778  -6.759
  290   3HD1  ILE  44          3HD1      ILE  44   8.461   4.337  -5.238
  291    H    CYS  45           H        CYS  45   6.543   3.233  -3.846
  292    HA   CYS  45           HA       CYS  45   4.458   4.620  -2.215
  293   1HB   CYS  45          HB2       CYS  45   4.144   2.365  -1.092
  294   2HB   CYS  45          HB1       CYS  45   3.557   2.463  -2.750
  295    H    ARG  46           H        ARG  46   7.710   4.125  -2.511
  296    HA   ARG  46           HA       ARG  46   8.069   4.509   0.419
  297   1HB   ARG  46          HB2       ARG  46   9.593   2.549  -1.315
  298   2HB   ARG  46          HB1       ARG  46  10.099   3.023   0.305
  299   1HG   ARG  46          HG2       ARG  46   7.381   2.364   0.556
  300   2HG   ARG  46          HG1       ARG  46   8.062   1.113  -0.483
  301   1HD   ARG  46          HD2       ARG  46   9.888   1.698   1.675
  302   2HD   ARG  46          HD1       ARG  46   8.295   1.307   2.323
  303    HE   ARG  46           HE       ARG  46   8.431  -0.821   0.972
  304   1HH1  ARG  46          1HH1      ARG  46  11.242   0.973   0.525
  305   2HH1  ARG  46          2HH1      ARG  46  12.333  -0.330   0.859
  306   1HH2  ARG  46          1HH2      ARG  46   9.842  -2.499   1.910
  307   2HH2  ARG  46          2HH2      ARG  46  11.541  -2.295   1.645
  308    H    ILE  47           H        ILE  47  11.012   4.026  -1.223
  309    HA   ILE  47           HA       ILE  47  11.257   6.956  -1.744
  310    HB   ILE  47           HB       ILE  47  12.314   6.422   0.408
  311   1HG1  ILE  47          2HG1      ILE  47  14.768   6.970  -0.375
  312   2HG1  ILE  47          1HG1      ILE  47  14.021   7.126  -1.965
  313   1HG2  ILE  47          1HG2      ILE  47  12.846   3.985  -0.679
  314   2HG2  ILE  47          2HG2      ILE  47  13.677   4.618   0.742
  315   3HG2  ILE  47          3HG2      ILE  47  14.420   4.760  -0.851
  316   1HD1  ILE  47          1HD1      ILE  47  12.859   8.530   0.438
  317   2HD1  ILE  47          2HD1      ILE  47  12.631   8.902  -1.270
  318   3HD1  ILE  47          3HD1      ILE  47  14.173   9.253  -0.490
  319    HA   PRO  48           HA       PRO  48  12.740   5.033  -5.547
  320   1HB   PRO  48          HB2       PRO  48  12.437   7.317  -7.044
  321   2HB   PRO  48          HB1       PRO  48  11.116   6.188  -6.706
  322   1HG   PRO  48          HG2       PRO  48  11.635   8.879  -5.529
  323   2HG   PRO  48          HG1       PRO  48  10.098   8.020  -5.725
  324   1HD   PRO  48          HD2       PRO  48  11.567   8.240  -3.321
  325   2HD   PRO  48          HD1       PRO  48  10.235   7.109  -3.623
  326    H    ARG  49           H        ARG  49  13.784   8.006  -3.983
  327    HA   ARG  49           HA       ARG  49  16.459   7.656  -5.270
  328   1HB   ARG  49          HB2       ARG  49  16.746  10.012  -5.381
  329   2HB   ARG  49          HB1       ARG  49  15.106   9.729  -5.962
  330   1HG   ARG  49          HG2       ARG  49  14.627  11.378  -4.435
  331   2HG   ARG  49          HG1       ARG  49  14.584  10.000  -3.332
  332   1HD   ARG  49          HD2       ARG  49  16.794  10.420  -2.556
  333   2HD   ARG  49          HD1       ARG  49  17.131  11.529  -3.885
  334    HE   ARG  49           HE       ARG  49  15.949  12.276  -1.398
  335   1HH1  ARG  49          1HH2      ARG  49  17.111  14.291  -3.199
  336   2HH1  ARG  49          2HH2      ARG  49  15.723  15.144  -3.787
  337   1HH2  ARG  49          1HH1      ARG  49  13.479  12.674  -2.844
  338   2HH2  ARG  49          2HH1      ARG  49  13.667  14.228  -3.585
  339    H    GLY  50           H        GLY  50  18.132   7.458  -3.871
  340   1HA   GLY  50          HA2       GLY  50  18.975   8.519  -1.628
  341   2HA   GLY  50          HA1       GLY  50  17.528   7.754  -0.968
  342    H    GLU  51           H        GLU  51  19.244   6.596   0.362
  343    HA   GLU  51           HA       GLU  51  20.835   4.582  -1.061
  344   1HB   GLU  51          HB2       GLU  51  20.746   5.713   1.609
  345   2HB   GLU  51          HB1       GLU  51  20.789   3.950   1.679
  346   1HG   GLU  51          HG2       GLU  51  22.694   4.082  -0.032
  347   2HG   GLU  51          HG1       GLU  51  22.758   5.806   0.334
  348    H    MET  52           H        MET  52  17.664   4.730  -0.714
  349    HA   MET  52           HA       MET  52  17.385   1.859   0.072
  350   1HB   MET  52          HB2       MET  52  15.720   4.263   0.551
  351   2HB   MET  52          HB1       MET  52  14.835   2.801   0.113
  352   1HG   MET  52          HG2       MET  52  16.627   1.795   1.907
  353   2HG   MET  52          HG1       MET  52  16.368   3.409   2.566
  354   1HE   MET  52          HE1       MET  52  14.510   0.109   3.915
  355   2HE   MET  52          HE2       MET  52  15.859   0.252   2.790
  356   3HE   MET  52          HE3       MET  52  14.276  -0.251   2.200
  357    HA   PRO  53           HA       PRO  53  16.046   0.978  -4.006
  358   1HB   PRO  53          HB2       PRO  53  14.371  -1.138  -3.492
  359   2HB   PRO  53          HB1       PRO  53  16.138  -1.249  -3.419
  360   1HG   PRO  53          HG2       PRO  53  14.169  -1.148  -1.179
  361   2HG   PRO  53          HG1       PRO  53  15.786  -1.872  -1.221
  362   1HD   PRO  53          HD2       PRO  53  15.119   0.611  -0.045
  363   2HD   PRO  53          HD1       PRO  53  16.761   0.035  -0.406
  364    H    ASP  54           H        ASP  54  14.490   1.812  -5.336
  365    HA   ASP  54           HA       ASP  54  12.251   3.282  -4.356
  366   1HB   ASP  54          HB2       ASP  54  12.227   2.057  -7.103
  367   2HB   ASP  54          HB1       ASP  54  11.721   3.670  -6.602
  368    H    ASP  55           H        ASP  55  10.066   2.673  -4.113
  369    HA   ASP  55           HA       ASP  55   9.530  -0.256  -4.409
  370   1HB   ASP  55          HB2       ASP  55   9.551   0.848  -2.054
  371   2HB   ASP  55          HB1       ASP  55   8.005   1.546  -2.537
  372    H    ARG  56           H        ARG  56   8.335  -0.508  -6.229
  373    HA   ARG  56           HA       ARG  56   6.271   1.547  -6.881
  374   1HB   ARG  56          HB2       ARG  56   7.498  -0.627  -8.598
  375   2HB   ARG  56          HB1       ARG  56   6.313   0.557  -9.141
  376   1HG   ARG  56          HG2       ARG  56   8.377   2.020  -7.868
  377   2HG   ARG  56          HG1       ARG  56   9.169   0.850  -8.925
  378   1HD   ARG  56          HD2       ARG  56   7.552   1.593 -10.750
  379   2HD   ARG  56          HD1       ARG  56   7.103   2.925  -9.685
  380    HE   ARG  56           HE       ARG  56   9.504   3.654  -9.799
  381   1HH1  ARG  56          1HH2      ARG  56   8.457   4.171 -12.475
  382   2HH1  ARG  56          2HH2      ARG  56   9.550   3.316 -13.513
  383   1HH2  ARG  56          1HH1      ARG  56  10.852   1.355 -10.966
  384   2HH2  ARG  56          2HH1      ARG  56  10.907   1.725 -12.658
  385    H    CYS  57           H        CYS  57   4.191   1.028  -6.442
  386    HA   CYS  57           HA       CYS  57   3.418  -1.559  -5.462
  387   1HB   CYS  57          HB2       CYS  57   1.524   0.461  -6.675
  388   2HB   CYS  57          HB1       CYS  57   1.197  -0.705  -5.394
  389    H    THR  58           H        THR  58   1.928  -3.060  -6.533
  390    HA   THR  58           HA       THR  58   2.650  -3.460  -9.347
  391    HB   THR  58           HB       THR  58   1.782  -5.619  -9.096
  392    HG1  THR  58           HG1      THR  58   0.133  -6.092  -7.662
  393   1HG2  THR  58          1HG2      THR  58   3.500  -4.755  -7.221
  394   2HG2  THR  58          2HG2      THR  58   2.892  -6.410  -7.250
  395   3HG2  THR  58          3HG2      THR  58   2.162  -5.220  -6.172
  396    H    GLY  59           H        GLY  59   0.451  -1.496  -7.934
  397   1HA   GLY  59          HA2       GLY  59  -1.235  -0.265  -9.112
  398   2HA   GLY  59          HA1       GLY  59  -1.261  -1.529 -10.342
  399    H    GLN  60           H        GLN  60  -1.916  -3.788  -9.219
  400    HA   GLN  60           HA       GLN  60  -4.640  -3.430  -8.323
  401   1HB   GLN  60          HB2       GLN  60  -2.911  -5.923  -8.264
  402   2HB   GLN  60          HB1       GLN  60  -4.668  -5.877  -8.116
  403   1HG   GLN  60          HG2       GLN  60  -3.523  -4.505 -10.489
  404   2HG   GLN  60          HG1       GLN  60  -3.408  -6.265 -10.476
  405   1HE2  GLN  60          1HE2      GLN  60  -5.310  -4.078 -11.827
  406   2HE2  GLN  60          2HE2      GLN  60  -6.841  -4.785 -11.637
  407    H    SER  61           H        SER  61  -1.612  -3.518  -6.709
  408    HA   SER  61           HA       SER  61  -2.741  -4.395  -4.137
  409   1HB   SER  61          HB2       SER  61  -0.418  -4.979  -4.673
  410   2HB   SER  61          HB1       SER  61  -0.012  -3.275  -4.852
  411    HG   SER  61           HG       SER  61  -0.795  -4.683  -2.524
  412    H    ALA  62           H        ALA  62  -3.707  -3.010  -2.733
  413    HA   ALA  62           HA       ALA  62  -3.776  -0.151  -3.318
  414   1HB   ALA  62          HB1       ALA  62  -5.769  -0.542  -2.318
  415   2HB   ALA  62          HB2       ALA  62  -4.877  -0.470  -0.798
  416   3HB   ALA  62          HB3       ALA  62  -5.191  -2.028  -1.563
  417    H    ASP  63           H        ASP  63  -2.248  -2.247  -0.900
  418    HA   ASP  63           HA       ASP  63  -0.970   0.132   0.342
  419   1HB   ASP  63          HB2       ASP  63  -0.445  -2.667   1.271
  420   2HB   ASP  63          HB1       ASP  63  -0.581  -1.182   2.214
  421    H    CYS  64           H        CYS  64   1.465  -0.620   1.078
  422    HA   CYS  64           HA       CYS  64   2.786  -1.529  -1.446
  423   1HB   CYS  64          HB2       CYS  64   3.192   0.839  -1.038
  424   2HB   CYS  64          HB1       CYS  64   3.768   0.488   0.591
  425    HA   PRO  65           HA       PRO  65   4.144  -4.649   1.426
  426   1HB   PRO  65          HB2       PRO  65   4.613  -6.457  -0.574
  427   2HB   PRO  65          HB1       PRO  65   3.021  -6.195   0.138
  428   1HG   PRO  65          HG2       PRO  65   4.038  -5.432  -2.536
  429   2HG   PRO  65          HG1       PRO  65   2.364  -5.600  -1.984
  430   1HD   PRO  65          HD2       PRO  65   3.837  -3.168  -2.329
  431   2HD   PRO  65          HD1       PRO  65   2.202  -3.341  -1.663
  432    H    ARG  66           H        ARG  66   6.175  -6.339   0.853
  433    HA   ARG  66           HA       ARG  66   8.417  -4.611  -0.114
  434   1HB   ARG  66          HB2       ARG  66   8.774  -6.666   2.060
  435   2HB   ARG  66          HB1       ARG  66   9.784  -5.271   1.682
  436   1HG   ARG  66          HG2       ARG  66   7.986  -3.758   2.433
  437   2HG   ARG  66          HG1       ARG  66   6.972  -5.151   2.811
  438   1HD   ARG  66          HD2       ARG  66   9.645  -5.298   4.017
  439   2HD   ARG  66          HD1       ARG  66   8.700  -3.920   4.579
  440    HE   ARG  66           HE       ARG  66   7.009  -6.195   4.658
  441   1HH1  ARG  66          1HH2      ARG  66  10.057  -5.253   5.955
  442   2HH1  ARG  66          2HH2      ARG  66   9.760  -5.946   7.514
  443   1HH2  ARG  66          1HH1      ARG  66   6.543  -6.976   6.739
  444   2HH2  ARG  66          2HH1      ARG  66   7.772  -6.920   7.958
  445    H    TYR  67           H        TYR  67   9.456  -5.553  -1.808
  446    HA   TYR  67           HA       TYR  67   8.815  -8.237  -2.665
  447   1HB   TYR  67          HB2       TYR  67  10.571  -7.851  -4.379
  448   2HB   TYR  67          HB1       TYR  67   9.439  -6.502  -4.284
  449    HD1  TYR  67           HD2      TYR  67  12.831  -7.668  -3.352
  450    HD2  TYR  67           HD1      TYR  67  10.131  -4.332  -3.510
  451    HE1  TYR  67           HE2      TYR  67  14.709  -6.126  -2.863
  452    HE2  TYR  67           HE1      TYR  67  12.010  -2.789  -3.020
  453    HH   TYR  67           HH       TYR  67  15.337  -3.916  -2.934
  454    H    HIS  68           H        HIS  68  11.470  -6.804  -0.836
  455    HA   HIS  68           HA       HIS  68  12.337  -9.539  -0.096
  456   1HB   HIS  68          HB2       HIS  68  13.701  -8.753  -2.092
  457   2HB   HIS  68          HB1       HIS  68  14.333  -7.474  -1.055
  458    HD1  HIS  68           HD1      HIS  68  16.636  -8.189  -0.400
  459    HD2  HIS  68           HD2      HIS  68  13.928 -11.351  -0.190
  460    HE1  HIS  68           HE1      HIS  68  17.908 -10.160   0.556
  Start of MODEL   17
    1   1H    GLY   1          HT1       GLY   1  -7.548  -9.312   4.415
    2   2H    GLY   1          HT2       GLY   1  -7.415  -9.418   6.104
    3   3H    GLY   1          HT3       GLY   1  -6.734  -8.100   5.277
    4   1HA   GLY   1          HA1       GLY   1  -8.911  -7.678   6.469
    5   2HA   GLY   1          HA2       GLY   1  -8.803  -7.163   4.787
    6    H    LYS   2           H        LYS   2  -9.925  -9.817   6.871
    7    HA   LYS   2           HA       LYS   2 -11.372 -11.157   4.745
    8   1HB   LYS   2          HB2       LYS   2 -11.606 -11.339   7.764
    9   2HB   LYS   2          HB1       LYS   2 -12.442 -12.406   6.635
   10   1HG   LYS   2          HG2       LYS   2 -10.218 -13.044   5.673
   11   2HG   LYS   2          HG1       LYS   2  -9.443 -12.088   6.936
   12   1HD   LYS   2          HD2       LYS   2 -10.512 -13.479   8.663
   13   2HD   LYS   2          HD1       LYS   2 -11.315 -14.427   7.411
   14   1HE   LYS   2          HE2       LYS   2  -9.126 -15.125   6.521
   15   2HE   LYS   2          HE1       LYS   2  -8.312 -14.165   7.757
   16   1HZ   LYS   2          HZ1       LYS   2  -8.902 -15.605   9.401
   17   2HZ   LYS   2          HZ2       LYS   2  -8.787 -16.700   8.108
   18   3HZ   LYS   2          HZ3       LYS   2 -10.307 -16.131   8.611
   19    H    GLU   3           H        GLU   3 -12.363  -9.005   7.426
   20    HA   GLU   3           HA       GLU   3 -14.919  -8.558   5.930
   21   1HB   GLU   3          HB2       GLU   3 -15.964  -8.078   8.117
   22   2HB   GLU   3          HB1       GLU   3 -15.285  -9.707   8.082
   23   1HG   GLU   3          HG2       GLU   3 -13.168  -8.679   9.104
   24   2HG   GLU   3          HG1       GLU   3 -14.147  -7.245   9.416
   25    H    CYS   4           H        CYS   4 -12.023  -7.131   6.861
   26    HA   CYS   4           HA       CYS   4 -13.293  -4.433   6.703
   27   1HB   CYS   4          HB2       CYS   4 -12.157  -5.017   8.914
   28   2HB   CYS   4          HB1       CYS   4 -10.635  -5.015   8.024
   29    H    ASP   5           H        ASP   5 -12.693  -3.249   4.955
   30    HA   ASP   5           HA       ASP   5 -10.456  -4.268   3.288
   31   1HB   ASP   5          HB2       ASP   5 -12.908  -3.543   2.504
   32   2HB   ASP   5          HB1       ASP   5 -12.145  -1.953   2.435
   33    H    CYS   6           H        CYS   6 -11.289  -1.671   5.420
   34    HA   CYS   6           HA       CYS   6  -8.840  -0.183   4.563
   35   1HB   CYS   6          HB2       CYS   6  -9.850   1.765   5.731
   36   2HB   CYS   6          HB1       CYS   6 -10.897   1.160   4.449
   37    H    SER   7           H        SER   7  -7.767   0.960   6.542
   38    HA   SER   7           HA       SER   7  -7.565  -1.083   8.706
   39   1HB   SER   7          HB2       SER   7  -5.472  -0.472   7.490
   40   2HB   SER   7          HB1       SER   7  -5.678   1.195   8.019
   41    HG   SER   7           HG       SER   7  -4.348   0.204   9.486
   42    H    SER   8           H        SER   8  -8.598   2.142   8.037
   43    HA   SER   8           HA       SER   8  -8.633   2.841  10.920
   44   1HB   SER   8          HB2       SER   8  -9.831   4.812   9.162
   45   2HB   SER   8          HB1       SER   8  -8.435   4.973  10.221
   46    HG   SER   8           HG       SER   8  -7.159   4.604   8.580
   47    HA   PRO   9           HA       PRO   9 -12.891   1.480  10.868
   48   1HB   PRO   9          HB2       PRO   9 -13.313   1.900  13.551
   49   2HB   PRO   9          HB1       PRO   9 -12.486   0.474  12.900
   50   1HG   PRO   9          HG2       PRO   9 -11.327   2.842  14.294
   51   2HG   PRO   9          HG1       PRO   9 -10.711   1.185  14.197
   52   1HD   PRO   9          HD2       PRO   9  -9.775   3.389  12.691
   53   2HD   PRO   9          HD1       PRO   9  -9.417   1.678  12.370
   54    H    GLU  10           H        GLU  10 -11.704   4.547  11.024
   55    HA   GLU  10           HA       GLU  10 -14.430   5.710  11.434
   56   1HB   GLU  10          HB2       GLU  10 -12.118   6.255  12.925
   57   2HB   GLU  10          HB1       GLU  10 -12.267   7.617  11.814
   58   1HG   GLU  10          HG2       GLU  10 -14.643   7.889  12.508
   59   2HG   GLU  10          HG1       GLU  10 -14.427   6.583  13.674
   60    H    ASN  11           H        ASN  11 -12.517   4.841   9.063
   61    HA   ASN  11           HA       ASN  11 -12.205   7.355   7.605
   62   1HB   ASN  11          HB2       ASN  11 -11.026   4.876   7.417
   63   2HB   ASN  11          HB1       ASN  11 -12.134   4.862   6.044
   64   1HD2  ASN  11          1HD2      ASN  11 -10.351   5.088   4.497
   65   2HD2  ASN  11          2HD2      ASN  11  -9.520   6.557   4.325
   66    HA   PRO  12           HA       PRO  12 -16.261   7.332   5.878
   67   1HB   PRO  12          HB2       PRO  12 -15.800   9.190   3.908
   68   2HB   PRO  12          HB1       PRO  12 -15.990   9.606   5.620
   69   1HG   PRO  12          HG2       PRO  12 -13.509   9.542   3.971
   70   2HG   PRO  12          HG1       PRO  12 -13.866  10.488   5.425
   71   1HD   PRO  12          HD2       PRO  12 -12.302   8.122   5.312
   72   2HD   PRO  12          HD1       PRO  12 -12.908   8.911   6.784
   73    H    CYS  13           H        CYS  13 -13.411   6.704   3.899
   74    HA   CYS  13           HA       CYS  13 -14.872   5.965   1.517
   75   1HB   CYS  13          HB2       CYS  13 -12.331   6.590   1.842
   76   2HB   CYS  13          HB1       CYS  13 -12.151   4.856   2.122
   77    H    CYS  14           H        CYS  14 -14.477   4.410   4.520
   78    HA   CYS  14           HA       CYS  14 -15.486   1.904   3.279
   79   1HB   CYS  14          HB2       CYS  14 -14.008   0.505   4.535
   80   2HB   CYS  14          HB1       CYS  14 -12.999   1.735   3.778
   81    H    ASP  15           H        ASP  15 -17.314   1.265   4.246
   82    HA   ASP  15           HA       ASP  15 -18.561   2.628   6.370
   83   1HB   ASP  15          HB2       ASP  15 -19.469   0.818   4.684
   84   2HB   ASP  15          HB1       ASP  15 -19.049  -0.309   5.974
   85    H    ALA  16           H        ALA  16 -18.457   2.450   8.579
   86    HA   ALA  16           HA       ALA  16 -16.223   0.961   9.730
   87   1HB   ALA  16          HB1       ALA  16 -18.102   2.020  11.675
   88   2HB   ALA  16          HB2       ALA  16 -17.715   3.228  10.450
   89   3HB   ALA  16          HB3       ALA  16 -16.424   2.478  11.387
   90    H    ALA  17           H        ALA  17 -19.788   0.845  10.070
   91    HA   ALA  17           HA       ALA  17 -19.993  -1.285  11.877
   92   1HB   ALA  17          HB1       ALA  17 -22.205  -1.357  11.285
   93   2HB   ALA  17          HB2       ALA  17 -21.847  -1.394   9.559
   94   3HB   ALA  17          HB3       ALA  17 -21.798   0.135  10.437
   95    H    THR  18           H        THR  18 -19.241  -1.361   8.433
   96    HA   THR  18           HA       THR  18 -18.981  -4.331   8.601
   97    HB   THR  18           HB       THR  18 -19.304  -4.424   6.272
   98    HG1  THR  18           HG1      THR  18 -18.786  -2.812   4.937
   99   1HG2  THR  18          1HG2      THR  18 -21.389  -3.453   5.983
  100   2HG2  THR  18          2HG2      THR  18 -20.904  -1.939   6.747
  101   3HG2  THR  18          3HG2      THR  18 -21.233  -3.361   7.737
  102    H    CYS  19           H        CYS  19 -17.218  -1.383   8.372
  103    HA   CYS  19           HA       CYS  19 -14.899  -0.998   8.344
  104   1HB   CYS  19          HB2       CYS  19 -15.146  -3.282   9.746
  105   2HB   CYS  19          HB1       CYS  19 -14.279  -3.915   8.349
  106    H    LYS  20           H        LYS  20 -16.609  -1.965   5.913
  107    HA   LYS  20           HA       LYS  20 -14.270  -2.631   4.161
  108   1HB   LYS  20          HB2       LYS  20 -17.201  -3.302   3.777
  109   2HB   LYS  20          HB1       LYS  20 -15.922  -3.667   2.622
  110   1HG   LYS  20          HG2       LYS  20 -14.800  -5.094   4.265
  111   2HG   LYS  20          HG1       LYS  20 -16.007  -4.676   5.482
  112   1HD   LYS  20          HD2       LYS  20 -17.740  -5.806   4.304
  113   2HD   LYS  20          HD1       LYS  20 -16.764  -5.931   2.838
  114   1HE   LYS  20          HE2       LYS  20 -15.127  -7.327   4.239
  115   2HE   LYS  20          HE1       LYS  20 -16.413  -7.423   5.443
  116   1HZ   LYS  20          HZ1       LYS  20 -17.185  -8.022   2.710
  117   2HZ   LYS  20          HZ2       LYS  20 -17.638  -8.780   4.160
  118   3HZ   LYS  20          HZ3       LYS  20 -16.144  -9.146   3.438
  119    H    LEU  21           H        LEU  21 -14.660  -1.866   1.821
  120    HA   LEU  21           HA       LEU  21 -14.982   0.980   1.816
  121   1HB   LEU  21          HB2       LEU  21 -14.756  -1.107  -0.338
  122   2HB   LEU  21          HB1       LEU  21 -15.093   0.576  -0.751
  123    HG   LEU  21           HG       LEU  21 -12.935   0.279   1.214
  124   1HD1  LEU  21          1HD1      LEU  21 -12.895  -1.701  -0.651
  125   2HD1  LEU  21          2HD1      LEU  21 -11.441  -0.989   0.046
  126   3HD1  LEU  21          3HD1      LEU  21 -12.035  -0.429  -1.516
  127   1HD2  LEU  21          1HD2      LEU  21 -13.832   2.135  -0.655
  128   2HD2  LEU  21          2HD2      LEU  21 -12.345   1.515  -1.371
  129   3HD2  LEU  21          3HD2      LEU  21 -12.318   2.228   0.243
  130    H    ARG  22           H        ARG  22 -16.764   2.240   1.338
  131    HA   ARG  22           HA       ARG  22 -19.350   0.811   1.206
  132   1HB   ARG  22          HB2       ARG  22 -18.434   3.311   2.324
  133   2HB   ARG  22          HB1       ARG  22 -19.825   3.581   1.272
  134   1HG   ARG  22          HG2       ARG  22 -20.168   1.202   2.919
  135   2HG   ARG  22          HG1       ARG  22 -19.908   2.645   3.902
  136   1HD   ARG  22          HD2       ARG  22 -21.774   3.759   2.962
  137   2HD   ARG  22          HD1       ARG  22 -21.862   2.641   1.601
  138    HE   ARG  22           HE       ARG  22 -22.522   0.895   3.378
  139   1HH1  ARG  22          1HH2      ARG  22 -23.944   3.855   2.826
  140   2HH1  ARG  22          2HH2      ARG  22 -24.880   3.892   4.283
  141   1HH2  ARG  22          1HH1      ARG  22 -23.331   1.112   5.662
  142   2HH2  ARG  22          2HH1      ARG  22 -24.536   2.335   5.887
  143    HA   PRO  23           HA       PRO  23 -19.825   3.565  -2.640
  144   1HB   PRO  23          HB2       PRO  23 -17.757   5.237  -3.334
  145   2HB   PRO  23          HB1       PRO  23 -19.083   5.710  -2.257
  146   1HG   PRO  23          HG2       PRO  23 -16.258   5.040  -1.576
  147   2HG   PRO  23          HG1       PRO  23 -17.403   6.081  -0.715
  148   1HD   PRO  23          HD2       PRO  23 -16.711   3.436  -0.004
  149   2HD   PRO  23          HD1       PRO  23 -18.083   4.365   0.636
  150    H    GLY  24           H        GLY  24 -18.390   3.952  -4.898
  151   1HA   GLY  24          HA2       GLY  24 -17.389   1.288  -5.518
  152   2HA   GLY  24          HA1       GLY  24 -17.468   2.648  -6.638
  153    H    ALA  25           H        ALA  25 -15.759   2.062  -3.546
  154    HA   ALA  25           HA       ALA  25 -13.295   3.129  -4.840
  155   1HB   ALA  25          HB1       ALA  25 -13.572   4.454  -2.968
  156   2HB   ALA  25          HB2       ALA  25 -12.651   3.137  -2.242
  157   3HB   ALA  25          HB3       ALA  25 -14.405   3.189  -2.067
  158    H    GLN  26           H        GLN  26 -11.840   1.575  -5.415
  159    HA   GLN  26           HA       GLN  26 -12.081  -1.160  -4.508
  160   1HB   GLN  26          HB2       GLN  26 -10.690   0.212  -6.552
  161   2HB   GLN  26          HB1       GLN  26  -9.458  -0.573  -5.561
  162   1HG   GLN  26          HG2       GLN  26 -10.011  -2.594  -6.379
  163   2HG   GLN  26          HG1       GLN  26 -11.697  -2.347  -5.934
  164   1HE2  GLN  26          1HE2      GLN  26 -12.755  -0.537  -7.544
  165   2HE2  GLN  26          2HE2      GLN  26 -12.474  -0.846  -9.188
  166    H    CYS  27           H        CYS  27 -10.853   1.578  -3.023
  167    HA   CYS  27           HA       CYS  27  -9.682   0.012  -0.871
  168   1HB   CYS  27          HB2       CYS  27  -7.641  -0.065  -1.951
  169   2HB   CYS  27          HB1       CYS  27  -7.970   1.374  -2.906
  170    H    GLY  28           H        GLY  28  -9.853   1.177   1.021
  171   1HA   GLY  28          HA2       GLY  28 -11.060   3.857   0.806
  172   2HA   GLY  28          HA1       GLY  28 -10.927   2.903   2.282
  173    H    GLU  29           H        GLU  29  -8.021   2.376   1.627
  174    HA   GLU  29           HA       GLU  29  -6.690   4.954   1.641
  175   1HB   GLU  29          HB2       GLU  29  -7.728   4.828   3.949
  176   2HB   GLU  29          HB1       GLU  29  -6.705   3.425   4.259
  177   1HG   GLU  29          HG2       GLU  29  -4.760   4.989   3.480
  178   2HG   GLU  29          HG1       GLU  29  -5.900   6.291   3.824
  179    H    GLY  30           H        GLY  30  -4.346   4.682   1.712
  180   1HA   GLY  30          HA2       GLY  30  -2.838   2.438   2.242
  181   2HA   GLY  30          HA1       GLY  30  -3.502   2.101   0.644
  182    H    LEU  31           H        LEU  31  -0.744   2.396   0.969
  183    HA   LEU  31           HA       LEU  31   0.148   5.096   0.481
  184   1HB   LEU  31          HB2       LEU  31   1.369   2.369   0.298
  185   2HB   LEU  31          HB1       LEU  31   2.188   3.705  -0.509
  186    HG   LEU  31           HG       LEU  31   1.439   3.548   2.421
  187   1HD1  LEU  31          1HD1      LEU  31   3.727   2.714   0.959
  188   2HD1  LEU  31          2HD1      LEU  31   3.527   2.766   2.711
  189   3HD1  LEU  31          3HD1      LEU  31   4.187   4.161   1.856
  190   1HD2  LEU  31          1HD2      LEU  31   1.193   5.817   2.056
  191   2HD2  LEU  31          2HD2      LEU  31   2.264   5.813   0.654
  192   3HD2  LEU  31          3HD2      LEU  31   2.941   5.753   2.282
  193    H    CYS  32           H        CYS  32  -1.029   2.513  -1.572
  194    HA   CYS  32           HA       CYS  32  -0.519   4.279  -3.930
  195   1HB   CYS  32          HB2       CYS  32  -0.560   1.265  -3.712
  196   2HB   CYS  32          HB1       CYS  32  -0.629   2.111  -5.257
  197    H    CYS  33           H        CYS  33  -2.752   4.885  -2.582
  198    HA   CYS  33           HA       CYS  33  -4.925   3.558  -4.152
  199   1HB   CYS  33          HB2       CYS  33  -4.899   4.616  -1.321
  200   2HB   CYS  33          HB1       CYS  33  -6.407   4.378  -2.205
  201    H    GLU  34           H        GLU  34  -5.088   5.018  -5.841
  202    HA   GLU  34           HA       GLU  34  -5.181   7.912  -5.248
  203   1HB   GLU  34          HB2       GLU  34  -3.864   7.188  -7.195
  204   2HB   GLU  34          HB1       GLU  34  -5.285   6.397  -7.877
  205   1HG   GLU  34          HG2       GLU  34  -6.227   8.369  -8.549
  206   2HG   GLU  34          HG1       GLU  34  -5.628   9.250  -7.144
  207    H    GLN  35           H        GLN  35  -7.107   8.848  -4.867
  208    HA   GLN  35           HA       GLN  35  -9.395   9.221  -4.821
  209   1HB   GLN  35          HB2       GLN  35 -10.492   9.163  -6.849
  210   2HB   GLN  35          HB1       GLN  35  -8.832   9.035  -7.411
  211   1HG   GLN  35          HG2       GLN  35  -9.366   7.104  -8.432
  212   2HG   GLN  35          HG1       GLN  35  -9.716   6.381  -6.869
  213   1HE2  GLN  35          1HE2      GLN  35 -11.143   6.432  -9.693
  214   2HE2  GLN  35          2HE2      GLN  35 -12.764   6.709  -9.274
  215    H    CYS  36           H        CYS  36  -8.313   6.967  -3.426
  216    HA   CYS  36           HA       CYS  36  -9.128   5.169  -2.167
  217   1HB   CYS  36          HB2       CYS  36 -11.588   6.457  -3.216
  218   2HB   CYS  36          HB1       CYS  36 -11.750   4.781  -2.713
  219    H    LYS  37           H        LYS  37  -8.489   5.088  -5.255
  220    HA   LYS  37           HA       LYS  37  -9.664   2.373  -5.704
  221   1HB   LYS  37          HB2       LYS  37  -9.266   4.686  -7.456
  222   2HB   LYS  37          HB1       LYS  37  -8.604   3.199  -8.132
  223   1HG   LYS  37          HG2       LYS  37 -10.708   2.078  -7.976
  224   2HG   LYS  37          HG1       LYS  37 -11.391   3.353  -6.966
  225   1HD   LYS  37          HD2       LYS  37 -12.170   4.309  -8.852
  226   2HD   LYS  37          HD1       LYS  37 -10.496   4.665  -9.281
  227   1HE   LYS  37          HE2       LYS  37 -10.337   2.389 -10.320
  228   2HE   LYS  37          HE1       LYS  37 -12.060   2.174 -10.011
  229   1HZ   LYS  37          HZ1       LYS  37 -12.369   4.316 -11.274
  230   2HZ   LYS  37          HZ2       LYS  37 -11.894   2.970 -12.195
  231   3HZ   LYS  37          HZ3       LYS  37 -10.757   4.161 -11.776
  232    H    PHE  38           H        PHE  38  -8.190   0.828  -6.825
  233    HA   PHE  38           HA       PHE  38  -5.587   0.797  -5.564
  234   1HB   PHE  38          HB2       PHE  38  -6.847  -0.914  -7.720
  235   2HB   PHE  38          HB1       PHE  38  -5.227  -1.209  -7.089
  236    HD1  PHE  38           HD1      PHE  38  -5.684  -0.439  -4.206
  237    HD2  PHE  38           HD2      PHE  38  -8.033  -2.802  -6.916
  238    HE1  PHE  38           HE1      PHE  38  -6.667  -1.663  -2.288
  239    HE2  PHE  38           HE2      PHE  38  -9.014  -4.027  -4.997
  240    HZ   PHE  38           HZ       PHE  38  -8.331  -3.457  -2.682
  241    H    SER  39           H        SER  39  -3.855   1.937  -6.263
  242    HA   SER  39           HA       SER  39  -3.786   3.410  -8.696
  243   1HB   SER  39          HB2       SER  39  -1.789   2.631  -6.622
  244   2HB   SER  39          HB1       SER  39  -1.165   3.193  -8.169
  245    HG   SER  39           HG       SER  39  -2.937   4.522  -6.395
  246    H    ARG  40           H        ARG  40  -1.552   2.903 -10.107
  247    HA   ARG  40           HA       ARG  40  -2.068   0.174 -11.199
  248   1HB   ARG  40          HB2       ARG  40  -1.808   2.714 -12.431
  249   2HB   ARG  40          HB1       ARG  40  -0.374   1.791 -12.879
  250   1HG   ARG  40          HG2       ARG  40  -1.985  -0.138 -13.418
  251   2HG   ARG  40          HG1       ARG  40  -3.271   1.066 -13.326
  252   1HD   ARG  40          HD2       ARG  40  -2.683   2.021 -15.300
  253   2HD   ARG  40          HD1       ARG  40  -0.960   1.903 -14.946
  254    HE   ARG  40           HE       ARG  40  -2.164  -0.680 -15.553
  255   1HH1  ARG  40          1HH1      ARG  40  -1.176   2.292 -16.969
  256   2HH1  ARG  40          2HH1      ARG  40  -0.500   1.553 -18.381
  257   1HH2  ARG  40          1HH2      ARG  40  -1.123  -1.685 -17.310
  258   2HH2  ARG  40          2HH2      ARG  40  -0.468  -0.698 -18.574
  259    H    ALA  41           H        ALA  41  -0.292  -1.232 -11.577
  260    HA   ALA  41           HA       ALA  41   1.790  -1.342  -9.744
  261   1HB   ALA  41          HB1       ALA  41   1.320  -3.194 -11.272
  262   2HB   ALA  41          HB2       ALA  41   3.016  -2.731 -11.415
  263   3HB   ALA  41          HB3       ALA  41   1.858  -2.228 -12.646
  264    H    GLY  42           H        GLY  42   4.191  -0.971 -10.177
  265   1HA   GLY  42          HA2       GLY  42   5.947   0.486 -10.776
  266   2HA   GLY  42          HA1       GLY  42   4.947   1.037 -12.121
  267    H    LYS  43           H        LYS  43   3.544   1.083  -8.962
  268    HA   LYS  43           HA       LYS  43   3.467   4.045  -9.072
  269   1HB   LYS  43          HB2       LYS  43   1.329   3.099  -8.657
  270   2HB   LYS  43          HB1       LYS  43   1.974   1.959  -7.478
  271   1HG   LYS  43          HG2       LYS  43   0.794   3.803  -6.348
  272   2HG   LYS  43          HG1       LYS  43   2.516   3.837  -5.964
  273   1HD   LYS  43          HD2       LYS  43   2.325   6.036  -6.554
  274   2HD   LYS  43          HD1       LYS  43   2.501   5.391  -8.185
  275   1HE   LYS  43          HE2       LYS  43  -0.236   5.115  -7.485
  276   2HE   LYS  43          HE1       LYS  43   0.246   6.751  -7.034
  277   1HZ   LYS  43          HZ1       LYS  43   0.324   5.463  -9.683
  278   2HZ   LYS  43          HZ2       LYS  43   1.351   6.771  -9.336
  279   3HZ   LYS  43          HZ3       LYS  43  -0.334   6.963  -9.245
  280    H    ILE  44           H        ILE  44   5.206   5.016  -8.137
  281    HA   ILE  44           HA       ILE  44   6.964   3.882  -6.249
  282    HB   ILE  44           HB       ILE  44   6.348   6.628  -7.209
  283   1HG1  ILE  44          2HG1      ILE  44   8.063   5.085  -8.183
  284   2HG1  ILE  44          1HG1      ILE  44   8.745   6.617  -7.629
  285   1HG2  ILE  44          1HG2      ILE  44   7.761   6.087  -4.582
  286   2HG2  ILE  44          2HG2      ILE  44   6.395   7.167  -4.864
  287   3HG2  ILE  44          3HG2      ILE  44   7.986   7.573  -5.506
  288   1HD1  ILE  44          1HD1      ILE  44   9.354   3.934  -6.734
  289   2HD1  ILE  44          2HD1      ILE  44   8.782   4.913  -5.384
  290   3HD1  ILE  44          3HD1      ILE  44  10.167   5.447  -6.334
  291    H    CYS  45           H        CYS  45   6.695   3.369  -4.149
  292    HA   CYS  45           HA       CYS  45   4.534   4.762  -2.620
  293   1HB   CYS  45          HB2       CYS  45   4.366   2.571  -1.336
  294   2HB   CYS  45          HB1       CYS  45   3.771   2.531  -2.995
  295    H    ARG  46           H        ARG  46   7.852   4.171  -2.834
  296    HA   ARG  46           HA       ARG  46   8.296   5.375  -0.209
  297   1HB   ARG  46          HB2       ARG  46   8.276   2.539  -0.428
  298   2HB   ARG  46          HB1       ARG  46   9.957   3.036  -0.235
  299   1HG   ARG  46          HG2       ARG  46   9.534   4.107   1.821
  300   2HG   ARG  46          HG1       ARG  46   7.797   4.187   1.522
  301   1HD   ARG  46          HD2       ARG  46   8.149   1.509   1.417
  302   2HD   ARG  46          HD1       ARG  46   9.438   1.933   2.544
  303    HE   ARG  46           HE       ARG  46   6.605   2.779   3.009
  304   1HH1  ARG  46          1HH2      ARG  46   8.745   3.762   4.858
  305   2HH1  ARG  46          2HH2      ARG  46   8.684   2.595   6.136
  306   1HH2  ARG  46          1HH1      ARG  46   6.902   0.265   4.287
  307   2HH2  ARG  46          2HH1      ARG  46   7.644   0.616   5.812
  308    H    ILE  47           H        ILE  47  10.778   5.546   0.159
  309    HA   ILE  47           HA       ILE  47  12.182   5.701  -2.471
  310    HB   ILE  47           HB       ILE  47  11.302   7.942  -1.553
  311   1HG1  ILE  47          2HG1      ILE  47  14.303   7.801  -1.898
  312   2HG1  ILE  47          1HG1      ILE  47  13.189   7.551  -3.243
  313   1HG2  ILE  47          1HG2      ILE  47  12.089   7.291   0.820
  314   2HG2  ILE  47          2HG2      ILE  47  12.417   8.938   0.283
  315   3HG2  ILE  47          3HG2      ILE  47  13.704   7.732   0.264
  316   1HD1  ILE  47          1HD1      ILE  47  13.940   9.909  -3.098
  317   2HD1  ILE  47          2HD1      ILE  47  13.256  10.012  -1.477
  318   3HD1  ILE  47          3HD1      ILE  47  12.198   9.759  -2.865
  319    HA   PRO  48           HA       PRO  48  15.310   3.592  -0.171
  320   1HB   PRO  48          HB2       PRO  48  17.270   3.731  -2.091
  321   2HB   PRO  48          HB1       PRO  48  15.896   2.614  -2.177
  322   1HG   PRO  48          HG2       PRO  48  16.392   5.092  -3.745
  323   2HG   PRO  48          HG1       PRO  48  15.384   3.693  -4.149
  324   1HD   PRO  48          HD2       PRO  48  14.482   6.212  -3.165
  325   2HD   PRO  48          HD1       PRO  48  13.507   4.745  -3.372
  326    H    ARG  49           H        ARG  49  16.694   4.398   1.380
  327    HA   ARG  49           HA       ARG  49  17.898   7.087   0.892
  328   1HB   ARG  49          HB2       ARG  49  16.603   5.863   3.179
  329   2HB   ARG  49          HB1       ARG  49  18.236   6.384   3.599
  330   1HG   ARG  49          HG2       ARG  49  17.803   8.626   3.024
  331   2HG   ARG  49          HG1       ARG  49  16.389   8.200   2.060
  332   1HD   ARG  49          HD2       ARG  49  16.637   8.108   5.077
  333   2HD   ARG  49          HD1       ARG  49  15.589   9.157   4.123
  334    HE   ARG  49           HE       ARG  49  14.863   6.546   3.423
  335   1HH1  ARG  49          1HH1      ARG  49  15.736   6.847   6.531
  336   2HH1  ARG  49          2HH1      ARG  49  14.153   6.769   7.228
  337   1HH2  ARG  49          1HH2      ARG  49  12.512   7.144   4.197
  338   2HH2  ARG  49          2HH2      ARG  49  12.327   6.937   5.906
  339    H    GLY  50           H        GLY  50  19.921   6.762   0.057
  340   1HA   GLY  50          HA2       GLY  50  22.244   6.284   1.073
  341   2HA   GLY  50          HA1       GLY  50  21.620   4.655   1.324
  342    H    GLU  51           H        GLU  51  20.878   3.502  -0.691
  343    HA   GLU  51           HA       GLU  51  21.620   4.440  -3.303
  344   1HB   GLU  51          HB2       GLU  51  23.884   4.013  -2.089
  345   2HB   GLU  51          HB1       GLU  51  23.490   2.305  -2.286
  346   1HG   GLU  51          HG2       GLU  51  24.734   2.803  -4.225
  347   2HG   GLU  51          HG1       GLU  51  23.061   2.911  -4.774
  348    H    MET  52           H        MET  52  19.302   3.325  -2.622
  349    HA   MET  52           HA       MET  52  19.475   0.568  -3.764
  350   1HB   MET  52          HB2       MET  52  17.200   1.059  -1.949
  351   2HB   MET  52          HB1       MET  52  18.246  -0.352  -2.081
  352   1HG   MET  52          HG2       MET  52  20.052   1.056  -0.938
  353   2HG   MET  52          HG1       MET  52  18.772   2.211  -0.565
  354   1HE   MET  52          HE1       MET  52  20.844   0.459   0.959
  355   2HE   MET  52          HE2       MET  52  20.135  -0.506   2.250
  356   3HE   MET  52          HE3       MET  52  19.908   1.240   2.242
  357    HA   PRO  53           HA       PRO  53  16.292   1.863  -6.495
  358   1HB   PRO  53          HB2       PRO  53  14.791  -0.430  -6.721
  359   2HB   PRO  53          HB1       PRO  53  16.387  -0.226  -7.465
  360   1HG   PRO  53          HG2       PRO  53  15.624  -1.822  -5.064
  361   2HG   PRO  53          HG1       PRO  53  16.977  -2.055  -6.182
  362   1HD   PRO  53          HD2       PRO  53  17.134  -0.894  -3.606
  363   2HD   PRO  53          HD1       PRO  53  18.398  -0.840  -4.854
  364    H    ASP  54           H        ASP  54  14.140   2.675  -6.518
  365    HA   ASP  54           HA       ASP  54  12.867   3.004  -3.940
  366   1HB   ASP  54          HB2       ASP  54  11.724   3.588  -6.689
  367   2HB   ASP  54          HB1       ASP  54  11.176   4.262  -5.152
  368    H    ASP  55           H        ASP  55  10.250   2.638  -4.115
  369    HA   ASP  55           HA       ASP  55   9.922  -0.245  -4.848
  370   1HB   ASP  55          HB2       ASP  55   9.089   1.325  -2.440
  371   2HB   ASP  55          HB1       ASP  55   8.045   0.009  -2.979
  372    H    ARG  56           H        ARG  56   8.113  -0.761  -6.073
  373    HA   ARG  56           HA       ARG  56   6.181   1.457  -6.603
  374   1HB   ARG  56          HB2       ARG  56   7.042  -0.523  -8.709
  375   2HB   ARG  56          HB1       ARG  56   6.179   0.999  -8.923
  376   1HG   ARG  56          HG2       ARG  56   8.574   1.661  -7.586
  377   2HG   ARG  56          HG1       ARG  56   9.027   0.535  -8.867
  378   1HD   ARG  56          HD2       ARG  56   7.893   1.897 -10.535
  379   2HD   ARG  56          HD1       ARG  56   7.286   2.981  -9.282
  380    HE   ARG  56           HE       ARG  56  10.016   3.096  -8.932
  381   1HH1  ARG  56          1HH1      ARG  56   7.663   4.434 -10.903
  382   2HH1  ARG  56          2HH1      ARG  56   8.760   5.105 -12.064
  383   1HH2  ARG  56          1HH2      ARG  56  11.547   3.524 -10.737
  384   2HH2  ARG  56          2HH2      ARG  56  10.959   4.590 -11.970
  385    H    CYS  57           H        CYS  57   4.188   0.841  -5.999
  386    HA   CYS  57           HA       CYS  57   3.451  -1.757  -5.180
  387   1HB   CYS  57          HB2       CYS  57   1.721   0.474  -6.293
  388   2HB   CYS  57          HB1       CYS  57   1.097  -0.956  -5.472
  389    H    THR  58           H        THR  58   1.898  -3.239  -6.290
  390    HA   THR  58           HA       THR  58   2.684  -3.565  -9.120
  391    HB   THR  58           HB       THR  58   1.840  -5.796  -8.935
  392    HG1  THR  58           HG1      THR  58  -0.031  -5.753  -7.933
  393   1HG2  THR  58          1HG2      THR  58   2.887  -5.242  -6.162
  394   2HG2  THR  58          2HG2      THR  58   3.931  -5.132  -7.579
  395   3HG2  THR  58          3HG2      THR  58   3.156  -6.663  -7.171
  396    H    GLY  59           H        GLY  59   0.606  -1.565  -7.962
  397   1HA   GLY  59          HA2       GLY  59  -1.241  -0.554  -9.076
  398   2HA   GLY  59          HA1       GLY  59  -1.309  -1.945 -10.159
  399    H    GLN  60           H        GLN  60  -1.750  -4.081  -8.674
  400    HA   GLN  60           HA       GLN  60  -4.415  -3.612  -7.548
  401   1HB   GLN  60          HB2       GLN  60  -2.902  -6.227  -7.486
  402   2HB   GLN  60          HB1       GLN  60  -4.647  -5.973  -7.540
  403   1HG   GLN  60          HG2       GLN  60  -3.746  -4.654  -9.808
  404   2HG   GLN  60          HG1       GLN  60  -2.719  -6.087  -9.740
  405   1HE2  GLN  60          1HE2      GLN  60  -4.841  -7.690  -8.327
  406   2HE2  GLN  60          2HE2      GLN  60  -5.994  -8.057  -9.518
  407    H    SER  61           H        SER  61  -1.449  -3.121  -6.288
  408    HA   SER  61           HA       SER  61  -2.142  -4.243  -3.611
  409   1HB   SER  61          HB2       SER  61   0.052  -4.915  -4.125
  410   2HB   SER  61          HB1       SER  61   0.440  -3.383  -4.900
  411    HG   SER  61           HG       SER  61   0.840  -4.102  -2.384
  412    H    ALA  62           H        ALA  62  -3.708  -2.561  -3.146
  413    HA   ALA  62           HA       ALA  62  -3.398   0.200  -3.347
  414   1HB   ALA  62          HB1       ALA  62  -4.551  -0.064  -0.852
  415   2HB   ALA  62          HB2       ALA  62  -4.903  -1.624  -1.598
  416   3HB   ALA  62          HB3       ALA  62  -5.426  -0.134  -2.382
  417    H    ASP  63           H        ASP  63  -1.940  -1.984  -0.974
  418    HA   ASP  63           HA       ASP  63  -0.639   0.310   0.381
  419   1HB   ASP  63          HB2       ASP  63  -0.076  -2.561   1.056
  420   2HB   ASP  63          HB1       ASP  63  -0.138  -1.158   2.123
  421    H    CYS  64           H        CYS  64   1.832  -0.653   1.026
  422    HA   CYS  64           HA       CYS  64   3.069  -1.348  -1.602
  423   1HB   CYS  64          HB2       CYS  64   3.447   1.003  -1.279
  424   2HB   CYS  64          HB1       CYS  64   3.988   0.747   0.379
  425    HA   PRO  65           HA       PRO  65   4.708  -4.408   1.188
  426   1HB   PRO  65          HB2       PRO  65   5.131  -6.201  -0.839
  427   2HB   PRO  65          HB1       PRO  65   3.575  -6.008  -0.029
  428   1HG   PRO  65          HG2       PRO  65   4.390  -5.203  -2.759
  429   2HG   PRO  65          HG1       PRO  65   2.763  -5.453  -2.105
  430   1HD   PRO  65          HD2       PRO  65   4.083  -2.953  -2.540
  431   2HD   PRO  65          HD1       PRO  65   2.511  -3.208  -1.759
  432    H    ARG  66           H        ARG  66   6.738  -6.088   0.136
  433    HA   ARG  66           HA       ARG  66   8.963  -4.154  -0.034
  434   1HB   ARG  66          HB2       ARG  66  10.370  -6.254   0.121
  435   2HB   ARG  66          HB1       ARG  66   9.298  -5.988   1.496
  436   1HG   ARG  66          HG2       ARG  66   7.848  -7.698   0.872
  437   2HG   ARG  66          HG1       ARG  66   8.307  -7.602  -0.829
  438   1HD   ARG  66          HD2       ARG  66   9.234  -9.639   0.177
  439   2HD   ARG  66          HD1       ARG  66  10.536  -8.535  -0.266
  440    HE   ARG  66           HE       ARG  66   9.515  -8.599   2.540
  441   1HH1  ARG  66          1HH2      ARG  66  11.769 -10.211   0.731
  442   2HH1  ARG  66          2HH2      ARG  66  13.155  -9.689   1.628
  443   1HH2  ARG  66          1HH1      ARG  66  11.404  -7.334   3.474
  444   2HH2  ARG  66          2HH1      ARG  66  12.948  -8.063   3.183
  445    H    TYR  67           H        TYR  67  10.713  -4.620  -1.682
  446    HA   TYR  67           HA       TYR  67   9.493  -4.798  -4.323
  447   1HB   TYR  67          HB2       TYR  67  12.056  -4.755  -4.985
  448   2HB   TYR  67          HB1       TYR  67  11.265  -3.301  -4.381
  449    HD1  TYR  67           HD1      TYR  67  12.376  -6.350  -2.514
  450    HD2  TYR  67           HD2      TYR  67  12.935  -2.145  -3.193
  451    HE1  TYR  67           HE1      TYR  67  13.976  -6.256  -0.623
  452    HE2  TYR  67           HE2      TYR  67  14.535  -2.053  -1.302
  453    HH   TYR  67           HH       TYR  67  15.634  -3.216   0.232
  454    H    HIS  68           H        HIS  68   8.711  -7.093  -3.670
  455    HA   HIS  68           HA       HIS  68   8.825  -9.394  -4.103
  456   1HB   HIS  68          HB2       HIS  68   9.717  -8.391  -6.317
  457   2HB   HIS  68          HB1       HIS  68  11.313  -8.844  -5.719
  458    HD1  HIS  68           HD1      HIS  68  11.964 -11.014  -6.753
  459    HD2  HIS  68           HD2      HIS  68   7.914 -10.951  -5.766
  460    HE1  HIS  68           HE1      HIS  68  11.050 -13.304  -7.332
  Start of MODEL   18
    1   1H    GLY   1          HT1       GLY   1 -17.051 -11.863   0.604
    2   2H    GLY   1          HT2       GLY   1 -16.641 -12.435   2.151
    3   3H    GLY   1          HT3       GLY   1 -16.022 -13.201   0.767
    4   1HA   GLY   1          HA1       GLY   1 -14.467 -11.608   0.374
    5   2HA   GLY   1          HA2       GLY   1 -15.450 -10.353   1.130
    6    H    LYS   2           H        LYS   2 -12.884 -10.367   1.936
    7    HA   LYS   2           HA       LYS   2 -12.306 -12.142   4.130
    8   1HB   LYS   2          HB2       LYS   2 -11.033  -9.898   2.809
    9   2HB   LYS   2          HB1       LYS   2 -10.882  -9.757   4.561
   10   1HG   LYS   2          HG2       LYS   2  -9.064 -11.116   4.146
   11   2HG   LYS   2          HG1       LYS   2 -10.304 -12.354   4.348
   12   1HD   LYS   2          HD2       LYS   2 -10.675 -12.026   1.773
   13   2HD   LYS   2          HD1       LYS   2  -9.056 -11.327   1.814
   14   1HE   LYS   2          HE2       LYS   2  -8.146 -13.382   1.891
   15   2HE   LYS   2          HE1       LYS   2  -9.050 -13.744   3.361
   16   1HZ   LYS   2          HZ1       LYS   2 -10.283 -13.898   0.675
   17   2HZ   LYS   2          HZ2       LYS   2 -10.846 -14.565   2.132
   18   3HZ   LYS   2          HZ3       LYS   2  -9.475 -15.217   1.371
   19    H    GLU   3           H        GLU   3 -12.372  -8.649   4.695
   20    HA   GLU   3           HA       GLU   3 -14.754  -8.595   6.268
   21   1HB   GLU   3          HB2       GLU   3 -12.526  -9.837   7.546
   22   2HB   GLU   3          HB1       GLU   3 -12.809  -8.283   8.333
   23   1HG   GLU   3          HG2       GLU   3 -15.370  -9.333   7.946
   24   2HG   GLU   3          HG1       GLU   3 -14.402 -10.720   8.447
   25    H    CYS   4           H        CYS   4 -11.487  -7.294   5.908
   26    HA   CYS   4           HA       CYS   4 -12.711  -4.579   6.052
   27   1HB   CYS   4          HB2       CYS   4 -11.499  -5.148   8.190
   28   2HB   CYS   4          HB1       CYS   4 -10.015  -5.271   7.246
   29    H    ASP   5           H        ASP   5 -12.392  -3.623   4.133
   30    HA   ASP   5           HA       ASP   5 -10.033  -4.377   2.483
   31   1HB   ASP   5          HB2       ASP   5 -12.755  -3.308   1.933
   32   2HB   ASP   5          HB1       ASP   5 -11.461  -2.699   0.899
   33    H    CYS   6           H        CYS   6 -10.380  -2.393   4.893
   34    HA   CYS   6           HA       CYS   6  -8.705  -0.269   3.670
   35   1HB   CYS   6          HB2       CYS   6 -10.068   1.488   4.756
   36   2HB   CYS   6          HB1       CYS   6 -11.048   0.549   3.634
   37    H    SER   7           H        SER   7  -7.971   1.236   5.679
   38    HA   SER   7           HA       SER   7  -7.555  -0.533   8.047
   39   1HB   SER   7          HB2       SER   7  -5.432   1.144   6.670
   40   2HB   SER   7          HB1       SER   7  -5.206   0.247   8.168
   41    HG   SER   7           HG       SER   7  -4.668  -1.299   6.838
   42    H    SER   8           H        SER   8  -9.444   1.623   7.716
   43    HA   SER   8           HA       SER   8  -8.620   3.271   9.996
   44   1HB   SER   8          HB2       SER   8  -9.154   4.506   7.282
   45   2HB   SER   8          HB1       SER   8  -9.052   5.416   8.786
   46    HG   SER   8           HG       SER   8  -6.925   4.098   8.901
   47    HA   PRO   9           HA       PRO   9 -13.045   2.672  10.314
   48   1HB   PRO   9          HB2       PRO   9 -13.223   3.576  12.904
   49   2HB   PRO   9          HB1       PRO   9 -12.689   1.943  12.471
   50   1HG   PRO   9          HG2       PRO   9 -11.065   4.261  13.411
   51   2HG   PRO   9          HG1       PRO   9 -10.743   2.526  13.572
   52   1HD   PRO   9          HD2       PRO   9  -9.544   4.264  11.688
   53   2HD   PRO   9          HD1       PRO   9  -9.498   2.488  11.647
   54    H    GLU  10           H        GLU  10 -11.240   5.620  10.783
   55    HA   GLU  10           HA       GLU  10 -13.675   7.287  10.922
   56   1HB   GLU  10          HB2       GLU  10 -12.078   9.174  11.047
   57   2HB   GLU  10          HB1       GLU  10 -11.693   7.937  12.244
   58   1HG   GLU  10          HG2       GLU  10  -9.945   7.028  10.815
   59   2HG   GLU  10          HG1       GLU  10 -10.381   8.143   9.520
   60    H    ASN  11           H        ASN  11 -11.560   5.975   8.569
   61    HA   ASN  11           HA       ASN  11 -11.734   7.973   6.535
   62   1HB   ASN  11          HB2       ASN  11 -10.102   6.307   6.192
   63   2HB   ASN  11          HB1       ASN  11 -11.233   5.001   6.538
   64   1HD2  ASN  11          1HD2      ASN  11 -10.819   3.955   4.471
   65   2HD2  ASN  11          2HD2      ASN  11 -11.384   4.615   3.014
   66    HA   PRO  12           HA       PRO  12 -16.053   7.412   5.600
   67   1HB   PRO  12          HB2       PRO  12 -16.112   9.195   3.504
   68   2HB   PRO  12          HB1       PRO  12 -16.147   9.678   5.209
   69   1HG   PRO  12          HG2       PRO  12 -13.894   9.835   3.260
   70   2HG   PRO  12          HG1       PRO  12 -14.216  10.834   4.687
   71   1HD   PRO  12          HD2       PRO  12 -12.332   8.738   4.543
   72   2HD   PRO  12          HD1       PRO  12 -12.934   9.493   6.034
   73    H    CYS  13           H        CYS  13 -13.552   7.320   3.064
   74    HA   CYS  13           HA       CYS  13 -15.066   6.171   0.978
   75   1HB   CYS  13          HB2       CYS  13 -12.557   6.951   1.083
   76   2HB   CYS  13          HB1       CYS  13 -12.254   5.275   1.516
   77    H    CYS  14           H        CYS  14 -13.900   4.772   3.950
   78    HA   CYS  14           HA       CYS  14 -14.827   2.091   3.000
   79   1HB   CYS  14          HB2       CYS  14 -12.485   1.981   3.521
   80   2HB   CYS  14          HB1       CYS  14 -12.719   2.861   5.030
   81    H    ASP  15           H        ASP  15 -16.485   1.157   4.110
   82    HA   ASP  15           HA       ASP  15 -17.895   2.708   6.116
   83   1HB   ASP  15          HB2       ASP  15 -18.808   0.970   4.367
   84   2HB   ASP  15          HB1       ASP  15 -18.423  -0.209   5.620
   85    H    ALA  16           H        ALA  16 -17.450   2.713   8.256
   86    HA   ALA  16           HA       ALA  16 -15.443   0.948   9.384
   87   1HB   ALA  16          HB1       ALA  16 -16.389   3.418  10.056
   88   2HB   ALA  16          HB2       ALA  16 -15.461   2.391  11.150
   89   3HB   ALA  16          HB3       ALA  16 -17.222   2.410  11.240
   90    H    ALA  17           H        ALA  17 -18.948   0.985   9.267
   91    HA   ALA  17           HA       ALA  17 -19.597  -0.722  11.400
   92   1HB   ALA  17          HB1       ALA  17 -21.021  -1.351   8.902
   93   2HB   ALA  17          HB2       ALA  17 -20.974   0.371   9.281
   94   3HB   ALA  17          HB3       ALA  17 -21.655  -0.770  10.442
   95    H    THR  18           H        THR  18 -18.317  -1.549   8.191
   96    HA   THR  18           HA       THR  18 -17.961  -4.347   9.197
   97    HB   THR  18           HB       THR  18 -19.554  -4.428   7.400
   98    HG1  THR  18           HG1      THR  18 -17.002  -4.958   6.289
   99   1HG2  THR  18          1HG2      THR  18 -19.618  -2.735   5.925
  100   2HG2  THR  18          2HG2      THR  18 -18.161  -3.385   5.172
  101   3HG2  THR  18          3HG2      THR  18 -18.029  -2.177   6.450
  102    H    CYS  19           H        CYS  19 -16.410  -1.513   8.201
  103    HA   CYS  19           HA       CYS  19 -14.089  -1.092   8.038
  104   1HB   CYS  19          HB2       CYS  19 -14.090  -3.330   9.491
  105   2HB   CYS  19          HB1       CYS  19 -13.460  -4.019   7.995
  106    H    LYS  20           H        LYS  20 -16.043  -2.074   5.809
  107    HA   LYS  20           HA       LYS  20 -13.900  -2.668   3.805
  108   1HB   LYS  20          HB2       LYS  20 -16.807  -3.515   3.809
  109   2HB   LYS  20          HB1       LYS  20 -15.696  -3.772   2.463
  110   1HG   LYS  20          HG2       LYS  20 -14.540  -4.679   4.977
  111   2HG   LYS  20          HG1       LYS  20 -16.076  -5.483   4.649
  112   1HD   LYS  20          HD2       LYS  20 -14.053  -5.208   2.445
  113   2HD   LYS  20          HD1       LYS  20 -13.857  -6.479   3.651
  114   1HE   LYS  20          HE2       LYS  20 -15.652  -7.661   2.888
  115   2HE   LYS  20          HE1       LYS  20 -16.587  -6.207   2.542
  116   1HZ   LYS  20          HZ1       LYS  20 -16.118  -7.021   0.453
  117   2HZ   LYS  20          HZ2       LYS  20 -14.558  -7.547   0.878
  118   3HZ   LYS  20          HZ3       LYS  20 -14.872  -5.890   0.667
  119    H    LEU  21           H        LEU  21 -14.480  -1.894   1.560
  120    HA   LEU  21           HA       LEU  21 -14.965   0.916   1.585
  121   1HB   LEU  21          HB2       LEU  21 -14.826  -1.166  -0.579
  122   2HB   LEU  21          HB1       LEU  21 -15.288   0.493  -0.965
  123    HG   LEU  21           HG       LEU  21 -13.060   0.716   0.739
  124   1HD1  LEU  21          1HD1      LEU  21 -12.984  -1.832  -0.334
  125   2HD1  LEU  21          2HD1      LEU  21 -11.586  -0.928   0.248
  126   3HD1  LEU  21          3HD1      LEU  21 -12.003  -0.902  -1.466
  127   1HD2  LEU  21          1HD2      LEU  21 -12.147   1.043  -1.881
  128   2HD2  LEU  21          2HD2      LEU  21 -12.869   2.294  -0.868
  129   3HD2  LEU  21          3HD2      LEU  21 -13.876   1.368  -1.981
  130    H    ARG  22           H        ARG  22 -16.846   2.053   1.496
  131    HA   ARG  22           HA       ARG  22 -19.376   0.574   1.540
  132   1HB   ARG  22          HB2       ARG  22 -18.522   2.931   2.692
  133   2HB   ARG  22          HB1       ARG  22 -19.548   3.499   1.375
  134   1HG   ARG  22          HG2       ARG  22 -20.358   1.436   3.443
  135   2HG   ARG  22          HG1       ARG  22 -20.855   3.129   3.446
  136   1HD   ARG  22          HD2       ARG  22 -22.150   2.878   1.492
  137   2HD   ARG  22          HD1       ARG  22 -21.335   1.383   1.036
  138    HE   ARG  22           HE       ARG  22 -22.817   0.207   2.452
  139   1HH1  ARG  22          1HH2      ARG  22 -24.778   2.436   1.937
  140   2HH1  ARG  22          2HH2      ARG  22 -25.250   2.871   3.546
  141   1HH2  ARG  22          1HH1      ARG  22 -22.575   1.258   5.050
  142   2HH2  ARG  22          2HH1      ARG  22 -24.003   2.203   5.308
  143    HA   PRO  23           HA       PRO  23 -20.040   3.028  -2.496
  144   1HB   PRO  23          HB2       PRO  23 -17.919   4.477  -3.474
  145   2HB   PRO  23          HB1       PRO  23 -19.119   5.136  -2.349
  146   1HG   PRO  23          HG2       PRO  23 -16.301   4.339  -1.824
  147   2HG   PRO  23          HG1       PRO  23 -17.323   5.491  -0.949
  148   1HD   PRO  23          HD2       PRO  23 -16.717   2.827  -0.157
  149   2HD   PRO  23          HD1       PRO  23 -17.925   3.899   0.582
  150    H    GLY  24           H        GLY  24 -18.518   3.222  -4.833
  151   1HA   GLY  24          HA2       GLY  24 -17.762   0.397  -5.236
  152   2HA   GLY  24          HA1       GLY  24 -17.962   1.606  -6.505
  153    H    ALA  25           H        ALA  25 -16.101   2.551  -3.766
  154    HA   ALA  25           HA       ALA  25 -13.749   3.015  -5.361
  155   1HB   ALA  25          HB1       ALA  25 -14.032   4.442  -3.487
  156   2HB   ALA  25          HB2       ALA  25 -12.700   3.383  -3.023
  157   3HB   ALA  25          HB3       ALA  25 -14.322   3.093  -2.394
  158    H    GLN  26           H        GLN  26 -11.745   1.875  -5.327
  159    HA   GLN  26           HA       GLN  26 -12.047  -1.000  -4.740
  160   1HB   GLN  26          HB2       GLN  26 -10.588   0.550  -6.627
  161   2HB   GLN  26          HB1       GLN  26  -9.409  -0.309  -5.635
  162   1HG   GLN  26          HG2       GLN  26  -9.877  -1.917  -7.249
  163   2HG   GLN  26          HG1       GLN  26 -11.040  -2.342  -5.993
  164   1HE2  GLN  26          1HE2      GLN  26 -11.302  -2.755  -8.955
  165   2HE2  GLN  26          2HE2      GLN  26 -12.714  -1.928  -9.405
  166    H    CYS  27           H        CYS  27 -10.549   1.815  -3.387
  167    HA   CYS  27           HA       CYS  27  -9.608   0.190  -1.109
  168   1HB   CYS  27          HB2       CYS  27  -7.571   0.157  -2.290
  169   2HB   CYS  27          HB1       CYS  27  -7.821   1.765  -2.958
  170    H    GLY  28           H        GLY  28 -10.553   1.222   0.574
  171   1HA   GLY  28          HA2       GLY  28 -11.408   3.968   0.400
  172   2HA   GLY  28          HA1       GLY  28 -11.483   2.971   1.850
  173    H    GLU  29           H        GLU  29  -8.522   2.376   1.457
  174    HA   GLU  29           HA       GLU  29  -7.145   4.912   1.784
  175   1HB   GLU  29          HB2       GLU  29  -8.340   4.709   3.974
  176   2HB   GLU  29          HB1       GLU  29  -7.505   3.180   4.250
  177   1HG   GLU  29          HG2       GLU  29  -5.402   4.790   3.622
  178   2HG   GLU  29          HG1       GLU  29  -6.472   5.948   4.413
  179    H    GLY  30           H        GLY  30  -4.854   4.587   1.823
  180   1HA   GLY  30          HA2       GLY  30  -3.387   2.328   2.402
  181   2HA   GLY  30          HA1       GLY  30  -4.014   1.989   0.792
  182    H    LEU  31           H        LEU  31  -1.309   2.171   1.036
  183    HA   LEU  31           HA       LEU  31  -0.246   4.822   0.689
  184   1HB   LEU  31          HB2       LEU  31   0.737   2.044   0.456
  185   2HB   LEU  31          HB1       LEU  31   1.570   3.217  -0.566
  186    HG   LEU  31           HG       LEU  31   1.106   3.550   2.412
  187   1HD1  LEU  31          1HD1      LEU  31   3.840   3.243   1.310
  188   2HD1  LEU  31          2HD1      LEU  31   2.846   1.786   1.285
  189   3HD1  LEU  31          3HD1      LEU  31   3.152   2.618   2.810
  190   1HD2  LEU  31          1HD2      LEU  31   1.873   5.660   2.148
  191   2HD2  LEU  31          2HD2      LEU  31   1.653   5.434   0.412
  192   3HD2  LEU  31          3HD2      LEU  31   3.221   5.110   1.152
  193    H    CYS  32           H        CYS  32  -1.087   2.251  -1.655
  194    HA   CYS  32           HA       CYS  32  -0.812   4.289  -3.812
  195   1HB   CYS  32          HB2       CYS  32  -0.866   1.264  -3.888
  196   2HB   CYS  32          HB1       CYS  32  -0.880   2.276  -5.334
  197    H    CYS  33           H        CYS  33  -2.973   5.009  -2.710
  198    HA   CYS  33           HA       CYS  33  -5.197   3.669  -4.189
  199   1HB   CYS  33          HB2       CYS  33  -5.280   4.876  -1.403
  200   2HB   CYS  33          HB1       CYS  33  -6.685   4.274  -2.280
  201    H    GLU  34           H        GLU  34  -5.559   5.116  -5.828
  202    HA   GLU  34           HA       GLU  34  -5.626   8.018  -5.130
  203   1HB   GLU  34          HB2       GLU  34  -4.820   6.496  -7.568
  204   2HB   GLU  34          HB1       GLU  34  -5.575   8.072  -7.805
  205   1HG   GLU  34          HG2       GLU  34  -3.915   9.153  -6.429
  206   2HG   GLU  34          HG1       GLU  34  -3.235   7.599  -5.946
  207    H    GLN  35           H        GLN  35  -7.525   9.117  -5.406
  208    HA   GLN  35           HA       GLN  35  -9.801   9.456  -5.841
  209   1HB   GLN  35          HB2       GLN  35  -9.468   7.376  -8.015
  210   2HB   GLN  35          HB1       GLN  35 -10.640   8.692  -7.956
  211   1HG   GLN  35          HG2       GLN  35  -8.774  10.330  -8.068
  212   2HG   GLN  35          HG1       GLN  35  -7.632   8.991  -8.204
  213   1HE2  GLN  35          1HE2      GLN  35  -7.126  10.067 -10.382
  214   2HE2  GLN  35          2HE2      GLN  35  -8.108   9.671 -11.708
  215    H    CYS  36           H        CYS  36  -8.862   7.328  -4.009
  216    HA   CYS  36           HA       CYS  36  -9.855   5.652  -2.701
  217   1HB   CYS  36          HB2       CYS  36 -12.134   6.953  -4.083
  218   2HB   CYS  36          HB1       CYS  36 -12.434   5.330  -3.475
  219    H    LYS  37           H        LYS  37  -8.586   5.111  -5.327
  220    HA   LYS  37           HA       LYS  37  -9.873   2.460  -5.811
  221   1HB   LYS  37          HB2       LYS  37  -9.500   4.665  -7.708
  222   2HB   LYS  37          HB1       LYS  37  -8.797   3.148  -8.271
  223   1HG   LYS  37          HG2       LYS  37 -10.984   2.022  -7.708
  224   2HG   LYS  37          HG1       LYS  37 -11.658   3.621  -7.395
  225   1HD   LYS  37          HD2       LYS  37 -11.069   4.308  -9.702
  226   2HD   LYS  37          HD1       LYS  37 -10.446   2.687 -10.013
  227   1HE   LYS  37          HE2       LYS  37 -13.032   2.331  -8.933
  228   2HE   LYS  37          HE1       LYS  37 -13.174   3.625 -10.124
  229   1HZ   LYS  37          HZ1       LYS  37 -12.049   0.913 -10.551
  230   2HZ   LYS  37          HZ2       LYS  37 -11.943   2.171 -11.688
  231   3HZ   LYS  37          HZ3       LYS  37 -13.462   1.557 -11.234
  232    H    PHE  38           H        PHE  38  -8.287   1.000  -7.047
  233    HA   PHE  38           HA       PHE  38  -5.751   1.007  -5.632
  234   1HB   PHE  38          HB2       PHE  38  -6.887  -0.704  -7.853
  235   2HB   PHE  38          HB1       PHE  38  -5.278  -0.966  -7.181
  236    HD1  PHE  38           HD2      PHE  38  -5.755  -0.317  -4.314
  237    HD2  PHE  38           HD1      PHE  38  -8.123  -2.569  -7.102
  238    HE1  PHE  38           HE2      PHE  38  -6.753  -1.594  -2.437
  239    HE2  PHE  38           HE1      PHE  38  -9.120  -3.846  -5.225
  240    HZ   PHE  38           HZ       PHE  38  -8.437  -3.358  -2.892
  241    H    SER  39           H        SER  39  -3.907   2.017  -6.288
  242    HA   SER  39           HA       SER  39  -3.810   3.641  -8.637
  243   1HB   SER  39          HB2       SER  39  -1.397   2.535  -7.188
  244   2HB   SER  39          HB1       SER  39  -1.522   4.051  -8.076
  245    HG   SER  39           HG       SER  39  -2.854   4.846  -6.489
  246    H    ARG  40           H        ARG  40  -1.430   3.089  -9.931
  247    HA   ARG  40           HA       ARG  40  -2.077   0.496 -11.268
  248   1HB   ARG  40          HB2       ARG  40  -1.345   3.145 -12.237
  249   2HB   ARG  40          HB1       ARG  40  -0.269   1.905 -12.877
  250   1HG   ARG  40          HG2       ARG  40  -2.058   0.692 -13.851
  251   2HG   ARG  40          HG1       ARG  40  -3.267   1.556 -12.899
  252   1HD   ARG  40          HD2       ARG  40  -3.492   2.724 -14.869
  253   2HD   ARG  40          HD1       ARG  40  -2.176   3.658 -14.158
  254    HE   ARG  40           HE       ARG  40  -1.508   1.379 -15.953
  255   1HH1  ARG  40          1HH2      ARG  40   0.672   3.140 -15.088
  256   2HH1  ARG  40          2HH2      ARG  40   0.792   4.290 -16.378
  257   1HH2  ARG  40          1HH1      ARG  40  -2.337   3.554 -17.682
  258   2HH2  ARG  40          2HH1      ARG  40  -0.910   4.522 -17.848
  259    H    ALA  41           H        ALA  41  -0.360  -0.980 -11.697
  260    HA   ALA  41           HA       ALA  41   1.632  -1.316  -9.765
  261   1HB   ALA  41          HB1       ALA  41   1.827  -3.203 -10.990
  262   2HB   ALA  41          HB2       ALA  41   2.769  -2.281 -12.162
  263   3HB   ALA  41          HB3       ALA  41   1.024  -2.445 -12.365
  264    H    GLY  42           H        GLY  42   4.040  -1.051 -10.036
  265   1HA   GLY  42          HA2       GLY  42   5.910   0.304 -10.516
  266   2HA   GLY  42          HA1       GLY  42   5.033   0.909 -11.924
  267    H    LYS  43           H        LYS  43   3.370   1.037  -8.916
  268    HA   LYS  43           HA       LYS  43   3.469   3.991  -9.001
  269   1HB   LYS  43          HB2       LYS  43   1.270   3.100  -8.720
  270   2HB   LYS  43          HB1       LYS  43   1.804   1.999  -7.449
  271   1HG   LYS  43          HG2       LYS  43   0.598   3.999  -6.556
  272   2HG   LYS  43          HG1       LYS  43   2.249   3.866  -5.952
  273   1HD   LYS  43          HD2       LYS  43   1.617   6.188  -6.704
  274   2HD   LYS  43          HD1       LYS  43   3.030   5.526  -7.527
  275   1HE   LYS  43          HE2       LYS  43   1.920   5.279  -9.533
  276   2HE   LYS  43          HE1       LYS  43   0.358   5.017  -8.756
  277   1HZ   LYS  43          HZ1       LYS  43   1.775   7.624  -8.808
  278   2HZ   LYS  43          HZ2       LYS  43   0.200   7.328  -8.245
  279   3HZ   LYS  43          HZ3       LYS  43   0.555   7.185  -9.900
  280    H    ILE  44           H        ILE  44   5.045   4.990  -7.868
  281    HA   ILE  44           HA       ILE  44   6.709   3.747  -5.935
  282    HB   ILE  44           HB       ILE  44   7.450   5.773  -7.013
  283   1HG1  ILE  44          2HG1      ILE  44   7.824   7.268  -4.945
  284   2HG1  ILE  44          1HG1      ILE  44   6.905   6.059  -4.051
  285   1HG2  ILE  44          1HG2      ILE  44   6.061   7.499  -7.409
  286   2HG2  ILE  44          2HG2      ILE  44   5.739   7.699  -5.686
  287   3HG2  ILE  44          3HG2      ILE  44   4.777   6.568  -6.639
  288   1HD1  ILE  44          1HD1      ILE  44   9.634   5.966  -4.570
  289   2HD1  ILE  44          2HD1      ILE  44   8.951   4.857  -5.759
  290   3HD1  ILE  44          3HD1      ILE  44   8.641   4.610  -4.040
  291    H    CYS  45           H        CYS  45   6.198   3.101  -3.918
  292    HA   CYS  45           HA       CYS  45   3.928   4.473  -2.533
  293   1HB   CYS  45          HB2       CYS  45   4.027   2.251  -1.121
  294   2HB   CYS  45          HB1       CYS  45   3.229   2.248  -2.692
  295    H    ARG  46           H        ARG  46   7.282   3.914  -2.497
  296    HA   ARG  46           HA       ARG  46   7.560   5.401   0.002
  297   1HB   ARG  46          HB2       ARG  46   7.874   2.468  -0.097
  298   2HB   ARG  46          HB1       ARG  46   9.238   3.323   0.625
  299   1HG   ARG  46          HG2       ARG  46   7.963   4.176   2.367
  300   2HG   ARG  46          HG1       ARG  46   6.463   4.103   1.440
  301   1HD   ARG  46          HD2       ARG  46   6.054   1.942   2.029
  302   2HD   ARG  46          HD1       ARG  46   7.754   1.489   1.918
  303    HE   ARG  46           HE       ARG  46   6.412   2.108   4.342
  304   1HH1  ARG  46          1HH2      ARG  46   9.036   0.823   4.424
  305   2HH1  ARG  46          2HH2      ARG  46  10.079   2.069   5.022
  306   1HH2  ARG  46          1HH1      ARG  46   7.854   4.635   4.319
  307   2HH2  ARG  46          2HH1      ARG  46   9.410   4.228   4.963
  308    H    ILE  47           H        ILE  47   9.159   6.798  -0.480
  309    HA   ILE  47           HA       ILE  47  11.027   6.212  -2.656
  310    HB   ILE  47           HB       ILE  47   9.889   8.481  -2.015
  311   1HG1  ILE  47          2HG1      ILE  47  12.803   8.841  -2.531
  312   2HG1  ILE  47          1HG1      ILE  47  11.892   7.845  -3.667
  313   1HG2  ILE  47          1HG2      ILE  47  12.376   8.573  -0.282
  314   2HG2  ILE  47          2HG2      ILE  47  10.724   8.475   0.328
  315   3HG2  ILE  47          3HG2      ILE  47  11.251   9.902  -0.564
  316   1HD1  ILE  47          1HD1      ILE  47  10.325  10.158  -3.077
  317   2HD1  ILE  47          2HD1      ILE  47  11.040   9.692  -4.619
  318   3HD1  ILE  47          3HD1      ILE  47  11.954  10.693  -3.491
  319    HA   PRO  48           HA       PRO  48  14.163   4.678   0.070
  320   1HB   PRO  48          HB2       PRO  48  16.169   4.567  -1.803
  321   2HB   PRO  48          HB1       PRO  48  14.857   3.380  -1.706
  322   1HG   PRO  48          HG2       PRO  48  15.262   5.568  -3.686
  323   2HG   PRO  48          HG1       PRO  48  14.374   4.047  -3.863
  324   1HD   PRO  48          HD2       PRO  48  13.238   6.606  -3.399
  325   2HD   PRO  48          HD1       PRO  48  12.393   5.047  -3.298
  326    H    ARG  49           H        ARG  49  14.804   6.300   1.521
  327    HA   ARG  49           HA       ARG  49  16.028   8.783   0.620
  328   1HB   ARG  49          HB2       ARG  49  14.930   7.780   3.045
  329   2HB   ARG  49          HB1       ARG  49  16.599   8.240   3.383
  330   1HG   ARG  49          HG2       ARG  49  15.707  10.328   3.614
  331   2HG   ARG  49          HG1       ARG  49  15.807  10.346   1.852
  332   1HD   ARG  49          HD2       ARG  49  13.489   9.433   1.747
  333   2HD   ARG  49          HD1       ARG  49  13.395   9.541   3.505
  334    HE   ARG  49           HE       ARG  49  14.143  12.094   2.451
  335   1HH1  ARG  49          1HH2      ARG  49  11.589   9.996   1.693
  336   2HH1  ARG  49          2HH2      ARG  49  10.335  11.148   2.012
  337   1HH2  ARG  49          1HH1      ARG  49  12.498  13.548   3.275
  338   2HH2  ARG  49          2HH1      ARG  49  10.850  13.161   2.906
  339    H    GLY  50           H        GLY  50  17.790   7.785  -0.667
  340   1HA   GLY  50          HA1       GLY  50  20.304   7.999  -0.116
  341   2HA   GLY  50          HA2       GLY  50  19.993   6.700   1.035
  342    H    GLU  51           H        GLU  51  21.402   5.239  -0.060
  343    HA   GLU  51           HA       GLU  51  20.978   4.635  -2.891
  344   1HB   GLU  51          HB2       GLU  51  23.099   4.325  -1.167
  345   2HB   GLU  51          HB1       GLU  51  22.482   2.677  -1.288
  346   1HG   GLU  51          HG2       GLU  51  23.467   2.480  -3.299
  347   2HG   GLU  51          HG1       GLU  51  22.437   3.775  -3.909
  348    H    MET  52           H        MET  52  18.547   4.249  -2.107
  349    HA   MET  52           HA       MET  52  18.283   1.303  -1.656
  350   1HB   MET  52          HB2       MET  52  16.908   3.597  -0.336
  351   2HB   MET  52          HB1       MET  52  15.931   2.172  -0.696
  352   1HG   MET  52          HG2       MET  52  18.214   1.044   0.342
  353   2HG   MET  52          HG1       MET  52  18.071   2.522   1.295
  354   1HE   MET  52          HE1       MET  52  15.492   2.069   3.705
  355   2HE   MET  52          HE2       MET  52  15.272   3.153   2.335
  356   3HE   MET  52          HE3       MET  52  16.881   2.915   3.010
  357    HA   PRO  53           HA       PRO  53  15.821   1.293  -5.286
  358   1HB   PRO  53          HB2       PRO  53  14.140  -0.806  -4.720
  359   2HB   PRO  53          HB1       PRO  53  15.846  -1.007  -5.157
  360   1HG   PRO  53          HG2       PRO  53  14.550  -1.269  -2.483
  361   2HG   PRO  53          HG1       PRO  53  16.024  -2.037  -3.095
  362   1HD   PRO  53          HD2       PRO  53  15.919   0.192  -1.356
  363   2HD   PRO  53          HD1       PRO  53  17.352  -0.374  -2.241
  364    H    ASP  54           H        ASP  54  13.661   1.774  -6.097
  365    HA   ASP  54           HA       ASP  54  12.025   3.273  -4.142
  366   1HB   ASP  54          HB2       ASP  54  11.476   2.996  -7.098
  367   2HB   ASP  54          HB1       ASP  54  11.008   4.309  -6.016
  368    H    ASP  55           H        ASP  55  10.340   2.263  -3.159
  369    HA   ASP  55           HA       ASP  55   9.428  -0.351  -3.948
  370   1HB   ASP  55          HB2       ASP  55   8.226   1.729  -2.098
  371   2HB   ASP  55          HB1       ASP  55   7.579   0.099  -2.291
  372    H    ARG  56           H        ARG  56   7.785  -0.920  -5.336
  373    HA   ARG  56           HA       ARG  56   6.032   1.267  -6.381
  374   1HB   ARG  56          HB2       ARG  56   7.100  -0.980  -8.092
  375   2HB   ARG  56          HB1       ARG  56   6.290   0.496  -8.612
  376   1HG   ARG  56          HG2       ARG  56   8.628   1.115  -7.011
  377   2HG   ARG  56          HG1       ARG  56   9.058   0.102  -8.388
  378   1HD   ARG  56          HD2       ARG  56   7.659   1.704  -9.814
  379   2HD   ARG  56          HD1       ARG  56   7.659   2.781  -8.418
  380    HE   ARG  56           HE       ARG  56  10.119   2.915  -8.627
  381   1HH1  ARG  56          1HH1      ARG  56   9.089   3.943 -11.229
  382   2HH1  ARG  56          2HH1      ARG  56  10.013   3.034 -12.379
  383   1HH2  ARG  56          1HH2      ARG  56  11.008   0.636 -10.082
  384   2HH2  ARG  56          2HH2      ARG  56  11.098   1.162 -11.730
  385    H    CYS  57           H        CYS  57   3.935   0.768  -6.058
  386    HA   CYS  57           HA       CYS  57   3.089  -1.804  -5.093
  387   1HB   CYS  57          HB2       CYS  57   1.503   0.492  -6.285
  388   2HB   CYS  57          HB1       CYS  57   0.781  -0.911  -5.498
  389    H    THR  58           H        THR  58   1.623  -3.292  -6.240
  390    HA   THR  58           HA       THR  58   2.504  -3.705  -9.011
  391    HB   THR  58           HB       THR  58   1.501  -5.849  -8.841
  392    HG1  THR  58           HG1      THR  58  -0.070  -4.578  -6.890
  393   1HG2  THR  58          1HG2      THR  58   3.418  -5.261  -7.187
  394   2HG2  THR  58          2HG2      THR  58   2.516  -6.755  -6.926
  395   3HG2  THR  58          3HG2      THR  58   2.161  -5.329  -5.951
  396    H    GLY  59           H        GLY  59   0.369  -1.624  -7.831
  397   1HA   GLY  59          HA2       GLY  59  -1.267  -0.417  -9.086
  398   2HA   GLY  59          HA1       GLY  59  -1.286  -1.726 -10.267
  399    H    GLN  60           H        GLN  60  -1.759  -3.899  -8.538
  400    HA   GLN  60           HA       GLN  60  -4.610  -3.411  -7.906
  401   1HB   GLN  60          HB2       GLN  60  -3.204  -6.063  -7.650
  402   2HB   GLN  60          HB1       GLN  60  -4.899  -5.743  -8.018
  403   1HG   GLN  60          HG2       GLN  60  -4.289  -4.854 -10.215
  404   2HG   GLN  60          HG1       GLN  60  -2.577  -5.071  -9.849
  405   1HE2  GLN  60          1HE2      GLN  60  -2.815  -6.501 -11.929
  406   2HE2  GLN  60          2HE2      GLN  60  -3.241  -8.125 -11.682
  407    H    SER  61           H        SER  61  -1.691  -3.282  -6.282
  408    HA   SER  61           HA       SER  61  -2.882  -4.238  -3.721
  409   1HB   SER  61          HB2       SER  61  -0.011  -3.429  -4.244
  410   2HB   SER  61          HB1       SER  61  -0.636  -4.310  -2.854
  411    HG   SER  61           HG       SER  61  -0.855  -6.081  -4.059
  412    H    ALA  62           H        ALA  62  -4.013  -2.582  -2.789
  413    HA   ALA  62           HA       ALA  62  -3.533   0.191  -3.194
  414   1HB   ALA  62          HB1       ALA  62  -5.132  -1.460  -1.341
  415   2HB   ALA  62          HB2       ALA  62  -5.581   0.003  -2.216
  416   3HB   ALA  62          HB3       ALA  62  -4.676   0.121  -0.707
  417    H    ASP  63           H        ASP  63  -2.645  -1.844  -0.377
  418    HA   ASP  63           HA       ASP  63  -0.924   0.267   0.691
  419   1HB   ASP  63          HB2       ASP  63  -1.352  -2.626   1.489
  420   2HB   ASP  63          HB1       ASP  63  -0.288  -1.518   2.355
  421    H    CYS  64           H        CYS  64   1.438  -0.335   1.208
  422    HA   CYS  64           HA       CYS  64   2.595  -1.803  -1.127
  423   1HB   CYS  64          HB2       CYS  64   2.951   0.681  -1.158
  424   2HB   CYS  64          HB1       CYS  64   3.854   0.519   0.348
  425    HA   PRO  65           HA       PRO  65   4.393  -4.278   2.043
  426   1HB   PRO  65          HB2       PRO  65   5.584  -6.001   0.287
  427   2HB   PRO  65          HB1       PRO  65   3.871  -6.084   0.702
  428   1HG   PRO  65          HG2       PRO  65   5.166  -5.168  -1.807
  429   2HG   PRO  65          HG1       PRO  65   3.514  -5.752  -1.548
  430   1HD   PRO  65          HD2       PRO  65   4.337  -3.038  -1.827
  431   2HD   PRO  65          HD1       PRO  65   2.724  -3.620  -1.364
  432    H    ARG  66           H        ARG  66   6.650  -4.603  -0.643
  433    HA   ARG  66           HA       ARG  66   8.562  -2.667   0.410
  434   1HB   ARG  66          HB2       ARG  66   8.839  -5.604   0.960
  435   2HB   ARG  66          HB1       ARG  66  10.292  -4.656   0.641
  436   1HG   ARG  66          HG2       ARG  66   9.355  -2.999   2.396
  437   2HG   ARG  66          HG1       ARG  66   8.292  -4.325   2.873
  438   1HD   ARG  66          HD2       ARG  66   9.964  -5.289   4.026
  439   2HD   ARG  66          HD1       ARG  66  10.967  -5.334   2.576
  440    HE   ARG  66           HE       ARG  66  10.979  -2.684   3.682
  441   1HH1  ARG  66          1HH2      ARG  66  12.938  -5.247   3.024
  442   2HH1  ARG  66          2HH2      ARG  66  14.003  -5.048   4.376
  443   1HH2  ARG  66          1HH1      ARG  66  12.004  -2.686   5.943
  444   2HH2  ARG  66          2HH1      ARG  66  13.476  -3.596   6.026
  445    H    TYR  67           H        TYR  67   9.778  -5.591  -1.046
  446    HA   TYR  67           HA       TYR  67   9.365  -4.837  -3.796
  447   1HB   TYR  67          HB2       TYR  67  11.029  -3.078  -2.933
  448   2HB   TYR  67          HB1       TYR  67  12.193  -4.399  -2.824
  449    HD1  TYR  67           HD1      TYR  67   9.924  -2.592  -5.164
  450    HD2  TYR  67           HD2      TYR  67  13.276  -5.251  -4.764
  451    HE1  TYR  67           HE1      TYR  67  10.362  -2.406  -7.598
  452    HE2  TYR  67           HE2      TYR  67  13.713  -5.064  -7.198
  453    HH   TYR  67           HH       TYR  67  12.243  -4.497  -9.291
  454    H    HIS  68           H        HIS  68   8.934  -7.248  -2.725
  455    HA   HIS  68           HA       HIS  68   9.461  -9.519  -2.986
  456   1HB   HIS  68          HB2       HIS  68  11.121  -8.148  -5.059
  457   2HB   HIS  68          HB1       HIS  68  11.478  -9.838  -4.701
  458    HD1  HIS  68           HD1      HIS  68  10.386 -11.108  -6.566
  459    HD2  HIS  68           HD2      HIS  68   7.860  -8.187  -4.995
  460    HE1  HIS  68           HE1      HIS  68   8.142 -11.416  -7.699
  Start of MODEL   19
    1   1H    GLY   1          HT1       GLY   1  -9.086 -13.983   8.834
    2   2H    GLY   1          HT2       GLY   1  -7.392 -13.872   8.775
    3   3H    GLY   1          HT3       GLY   1  -8.333 -13.213   7.524
    4   1HA   GLY   1          HA1       GLY   1  -9.234 -12.059   9.887
    5   2HA   GLY   1          HA2       GLY   1  -7.471 -11.990   9.906
    6    H    LYS   2           H        LYS   2  -9.964 -11.696   7.345
    7    HA   LYS   2           HA       LYS   2  -8.743  -9.063   6.635
    8   1HB   LYS   2          HB2       LYS   2  -8.612 -11.415   5.084
    9   2HB   LYS   2          HB1       LYS   2  -9.842 -10.410   4.319
   10   1HG   LYS   2          HG2       LYS   2  -7.739  -8.662   5.032
   11   2HG   LYS   2          HG1       LYS   2  -6.976 -10.076   4.304
   12   1HD   LYS   2          HD2       LYS   2  -9.289  -9.449   2.756
   13   2HD   LYS   2          HD1       LYS   2  -8.380  -7.955   2.993
   14   1HE   LYS   2          HE2       LYS   2  -6.727  -8.637   1.617
   15   2HE   LYS   2          HE1       LYS   2  -6.625 -10.209   2.409
   16   1HZ   LYS   2          HZ1       LYS   2  -8.167  -9.402   0.072
   17   2HZ   LYS   2          HZ2       LYS   2  -8.906 -10.510   1.127
   18   3HZ   LYS   2          HZ3       LYS   2  -7.409 -10.879   0.414
   19    H    GLU   3           H        GLU   3 -10.639  -8.338   7.973
   20    HA   GLU   3           HA       GLU   3 -13.100  -8.262   6.278
   21   1HB   GLU   3          HB2       GLU   3 -14.428  -8.235   8.398
   22   2HB   GLU   3          HB1       GLU   3 -13.549  -9.745   8.161
   23   1HG   GLU   3          HG2       GLU   3 -11.685  -8.737   9.577
   24   2HG   GLU   3          HG1       GLU   3 -12.818  -7.450   9.991
   25    H    CYS   4           H        CYS   4 -10.699  -6.412   6.879
   26    HA   CYS   4           HA       CYS   4 -12.384  -4.012   7.411
   27   1HB   CYS   4          HB2       CYS   4 -10.039  -4.964   8.944
   28   2HB   CYS   4          HB1       CYS   4  -9.995  -3.258   8.500
   29    H    ASP   5           H        ASP   5 -12.290  -3.000   5.446
   30    HA   ASP   5           HA       ASP   5  -9.800  -3.103   3.862
   31   1HB   ASP   5          HB2       ASP   5 -12.604  -2.732   3.301
   32   2HB   ASP   5          HB1       ASP   5 -11.695  -1.366   2.654
   33    H    CYS   6           H        CYS   6 -11.252  -1.087   6.189
   34    HA   CYS   6           HA       CYS   6  -9.437   1.151   5.381
   35   1HB   CYS   6          HB2       CYS   6 -12.293   1.150   5.932
   36   2HB   CYS   6          HB1       CYS   6 -11.433   2.242   7.018
   37    H    SER   7           H        SER   7  -9.111   2.629   7.461
   38    HA   SER   7           HA       SER   7  -8.683   0.821   9.805
   39   1HB   SER   7          HB2       SER   7  -6.579   1.432   8.475
   40   2HB   SER   7          HB1       SER   7  -6.827   3.083   9.038
   41    HG   SER   7           HG       SER   7  -5.497   1.406  10.317
   42    H    SER   8           H        SER   8 -10.554   3.232   8.831
   43    HA   SER   8           HA       SER   8 -10.709   4.380  11.555
   44   1HB   SER   8          HB2       SER   8  -9.651   5.797   9.262
   45   2HB   SER   8          HB1       SER   8 -11.113   6.583   9.850
   46    HG   SER   8           HG       SER   8  -9.799   7.368  11.298
   47    HA   PRO   9           HA       PRO   9 -14.992   3.972  10.572
   48   1HB   PRO   9          HB2       PRO   9 -15.965   5.307  12.768
   49   2HB   PRO   9          HB1       PRO   9 -15.320   3.658  12.834
   50   1HG   PRO   9          HG2       PRO   9 -14.081   6.195  13.787
   51   2HG   PRO   9          HG1       PRO   9 -13.804   4.535  14.337
   52   1HD   PRO   9          HD2       PRO   9 -12.119   6.028  12.607
   53   2HD   PRO   9          HD1       PRO   9 -12.009   4.286  12.936
   54    H    GLU  10           H        GLU  10 -13.298   6.929  10.643
   55    HA   GLU  10           HA       GLU  10 -15.677   8.570  10.011
   56   1HB   GLU  10          HB2       GLU  10 -12.743   9.220  10.376
   57   2HB   GLU  10          HB1       GLU  10 -13.927  10.414   9.841
   58   1HG   GLU  10          HG2       GLU  10 -14.890   8.949  12.160
   59   2HG   GLU  10          HG1       GLU  10 -13.343   9.728  12.494
   60    H    ASN  11           H        ASN  11 -13.108   6.888   8.401
   61    HA   ASN  11           HA       ASN  11 -12.881   8.348   6.001
   62   1HB   ASN  11          HB2       ASN  11 -11.679   6.159   6.822
   63   2HB   ASN  11          HB1       ASN  11 -12.976   5.348   5.941
   64   1HD2  ASN  11          1HD2      ASN  11 -10.047   5.511   5.238
   65   2HD2  ASN  11          2HD2      ASN  11  -9.998   6.196   3.687
   66    HA   PRO  12           HA       PRO  12 -17.086   7.792   4.569
   67   1HB   PRO  12          HB2       PRO  12 -16.821   9.470   2.407
   68   2HB   PRO  12          HB1       PRO  12 -17.099  10.040   4.062
   69   1HG   PRO  12          HG2       PRO  12 -14.592  10.107   2.452
   70   2HG   PRO  12          HG1       PRO  12 -15.099  11.162   3.781
   71   1HD   PRO  12          HD2       PRO  12 -13.244   9.029   3.966
   72   2HD   PRO  12          HD1       PRO  12 -13.999   9.880   5.330
   73    H    CYS  13           H        CYS  13 -14.234   6.641   3.283
   74    HA   CYS  13           HA       CYS  13 -15.456   5.699   0.744
   75   1HB   CYS  13          HB2       CYS  13 -12.985   6.629   1.113
   76   2HB   CYS  13          HB1       CYS  13 -12.677   4.954   1.563
   77    H    CYS  14           H        CYS  14 -15.195   4.686   3.928
   78    HA   CYS  14           HA       CYS  14 -15.676   1.874   3.076
   79   1HB   CYS  14          HB2       CYS  14 -13.976   2.532   5.481
   80   2HB   CYS  14          HB1       CYS  14 -14.163   0.977   4.668
   81    H    ASP  15           H        ASP  15 -17.232   0.840   4.226
   82    HA   ASP  15           HA       ASP  15 -19.019   2.412   5.854
   83   1HB   ASP  15          HB2       ASP  15 -19.375   0.214   4.376
   84   2HB   ASP  15          HB1       ASP  15 -19.079  -0.570   5.924
   85    H    ALA  16           H        ALA  16 -18.689   2.890   7.974
   86    HA   ALA  16           HA       ALA  16 -16.595   1.698   9.536
   87   1HB   ALA  16          HB1       ALA  16 -17.200   3.850  10.248
   88   2HB   ALA  16          HB2       ALA  16 -17.962   2.826  11.464
   89   3HB   ALA  16          HB3       ALA  16 -18.925   3.501  10.150
   90    H    ALA  17           H        ALA  17 -20.012   0.976   9.131
   91    HA   ALA  17           HA       ALA  17 -20.379  -0.682  11.415
   92   1HB   ALA  17          HB1       ALA  17 -21.859  -1.789   9.256
   93   2HB   ALA  17          HB2       ALA  17 -21.826  -0.043   9.016
   94   3HB   ALA  17          HB3       ALA  17 -22.444  -0.714  10.525
   95    H    THR  18           H        THR  18 -19.633  -1.694   8.050
   96    HA   THR  18           HA       THR  18 -18.775  -4.326   9.090
   97    HB   THR  18           HB       THR  18 -20.122  -4.394   7.086
   98    HG1  THR  18           HG1      THR  18 -18.852  -5.792   6.174
   99   1HG2  THR  18          1HG2      THR  18 -18.261  -2.219   6.248
  100   2HG2  THR  18          2HG2      THR  18 -20.002  -2.363   6.006
  101   3HG2  THR  18          3HG2      THR  18 -18.891  -3.287   4.994
  102    H    CYS  19           H        CYS  19 -17.371  -1.321   8.505
  103    HA   CYS  19           HA       CYS  19 -15.124  -0.638   8.492
  104   1HB   CYS  19          HB2       CYS  19 -14.919  -2.271  10.349
  105   2HB   CYS  19          HB1       CYS  19 -14.613  -3.551   9.177
  106    H    LYS  20           H        LYS  20 -16.418  -1.591   6.026
  107    HA   LYS  20           HA       LYS  20 -13.923  -2.273   4.543
  108   1HB   LYS  20          HB2       LYS  20 -16.532  -3.741   4.537
  109   2HB   LYS  20          HB1       LYS  20 -15.606  -3.655   3.038
  110   1HG   LYS  20          HG2       LYS  20 -14.075  -4.341   5.484
  111   2HG   LYS  20          HG1       LYS  20 -15.207  -5.565   4.908
  112   1HD   LYS  20          HD2       LYS  20 -13.682  -4.371   2.724
  113   2HD   LYS  20          HD1       LYS  20 -12.636  -5.128   3.925
  114   1HE   LYS  20          HE2       LYS  20 -13.305  -7.212   3.351
  115   2HE   LYS  20          HE1       LYS  20 -15.004  -6.739   3.298
  116   1HZ   LYS  20          HZ1       LYS  20 -14.448  -5.614   1.135
  117   2HZ   LYS  20          HZ2       LYS  20 -14.411  -7.312   1.112
  118   3HZ   LYS  20          HZ3       LYS  20 -12.962  -6.429   1.176
  119    H    LEU  21           H        LEU  21 -14.180  -1.799   2.155
  120    HA   LEU  21           HA       LEU  21 -15.049   0.841   1.708
  121   1HB   LEU  21          HB2       LEU  21 -14.505  -1.473  -0.127
  122   2HB   LEU  21          HB1       LEU  21 -15.129   0.047  -0.775
  123    HG   LEU  21           HG       LEU  21 -12.963   0.477   1.130
  124   1HD1  LEU  21          1HD1      LEU  21 -12.679  -1.662  -0.818
  125   2HD1  LEU  21          2HD1      LEU  21 -11.584  -1.175   0.477
  126   3HD1  LEU  21          3HD1      LEU  21 -11.507  -0.373  -1.093
  127   1HD2  LEU  21          1HD2      LEU  21 -12.748   1.160  -1.761
  128   2HD2  LEU  21          2HD2      LEU  21 -12.452   2.167  -0.343
  129   3HD2  LEU  21          3HD2      LEU  21 -14.104   1.865  -0.881
  130    H    ARG  22           H        ARG  22 -17.025   1.704   1.462
  131    HA   ARG  22           HA       ARG  22 -19.351  -0.095   1.423
  132   1HB   ARG  22          HB2       ARG  22 -19.797   1.587   2.927
  133   2HB   ARG  22          HB1       ARG  22 -18.889   2.791   2.025
  134   1HG   ARG  22          HG2       ARG  22 -20.722   2.770   0.292
  135   2HG   ARG  22          HG1       ARG  22 -21.644   1.711   1.359
  136   1HD   ARG  22          HD2       ARG  22 -22.292   4.086   1.651
  137   2HD   ARG  22          HD1       ARG  22 -21.594   3.417   3.126
  138    HE   ARG  22           HE       ARG  22 -19.433   4.551   1.788
  139   1HH1  ARG  22          1HH2      ARG  22 -21.974   5.388   3.836
  140   2HH1  ARG  22          2HH2      ARG  22 -21.738   7.100   3.709
  141   1HH2  ARG  22          1HH1      ARG  22 -19.348   6.847   1.206
  142   2HH2  ARG  22          2HH1      ARG  22 -20.249   7.926   2.218
  143    HA   PRO  23           HA       PRO  23 -20.116   2.251  -2.658
  144   1HB   PRO  23          HB2       PRO  23 -18.106   3.870  -3.604
  145   2HB   PRO  23          HB1       PRO  23 -19.402   4.437  -2.536
  146   1HG   PRO  23          HG2       PRO  23 -16.542   3.911  -1.895
  147   2HG   PRO  23          HG1       PRO  23 -17.690   4.995  -1.092
  148   1HD   PRO  23          HD2       PRO  23 -16.885   2.429  -0.186
  149   2HD   PRO  23          HD1       PRO  23 -18.225   3.401   0.458
  150    H    GLY  24           H        GLY  24 -18.539   2.543  -4.945
  151   1HA   GLY  24          HA2       GLY  24 -17.546  -0.209  -5.284
  152   2HA   GLY  24          HA1       GLY  24 -17.766   0.979  -6.569
  153    H    ALA  25           H        ALA  25 -16.117   2.135  -3.787
  154    HA   ALA  25           HA       ALA  25 -13.723   2.699  -5.276
  155   1HB   ALA  25          HB1       ALA  25 -14.517   2.872  -2.381
  156   2HB   ALA  25          HB2       ALA  25 -14.081   4.170  -3.490
  157   3HB   ALA  25          HB3       ALA  25 -12.831   3.108  -2.842
  158    H    GLN  26           H        GLN  26 -11.710   1.641  -5.219
  159    HA   GLN  26           HA       GLN  26 -11.836  -1.203  -4.433
  160   1HB   GLN  26          HB2       GLN  26 -10.433   0.352  -6.409
  161   2HB   GLN  26          HB1       GLN  26  -9.268  -0.543  -5.432
  162   1HG   GLN  26          HG2       GLN  26 -10.065  -2.595  -6.107
  163   2HG   GLN  26          HG1       GLN  26 -11.708  -1.996  -6.325
  164   1HE2  GLN  26          1HE2      GLN  26 -11.398  -3.238  -8.499
  165   2HE2  GLN  26          2HE2      GLN  26 -10.716  -2.368  -9.785
  166    H    CYS  27           H        CYS  27 -10.914   1.667  -2.966
  167    HA   CYS  27           HA       CYS  27  -9.678   0.301  -0.741
  168   1HB   CYS  27          HB2       CYS  27  -7.419   1.288  -0.974
  169   2HB   CYS  27          HB1       CYS  27  -7.787   0.185  -2.302
  170    H    GLY  28           H        GLY  28  -9.517   1.692   1.060
  171   1HA   GLY  28          HA2       GLY  28 -10.686   4.395   0.628
  172   2HA   GLY  28          HA1       GLY  28 -10.697   3.519   2.157
  173    H    GLU  29           H        GLU  29  -7.768   2.774   1.532
  174    HA   GLU  29           HA       GLU  29  -6.323   5.292   1.595
  175   1HB   GLU  29          HB2       GLU  29  -5.676   5.340   3.886
  176   2HB   GLU  29          HB1       GLU  29  -7.422   5.106   3.903
  177   1HG   GLU  29          HG2       GLU  29  -7.057   3.290   5.190
  178   2HG   GLU  29          HG1       GLU  29  -6.394   2.515   3.750
  179    H    GLY  30           H        GLY  30  -3.983   4.923   1.754
  180   1HA   GLY  30          HA2       GLY  30  -2.520   2.693   2.272
  181   2HA   GLY  30          HA1       GLY  30  -3.245   2.267   0.722
  182    H    LEU  31           H        LEU  31  -0.425   2.643   1.179
  183    HA   LEU  31           HA       LEU  31   0.478   5.235   0.347
  184   1HB   LEU  31          HB2       LEU  31   1.694   2.475   0.311
  185   2HB   LEU  31          HB1       LEU  31   2.541   3.839  -0.422
  186    HG   LEU  31           HG       LEU  31   1.581   4.708   2.108
  187   1HD1  LEU  31          1HD1      LEU  31   3.422   2.570   2.831
  188   2HD1  LEU  31          2HD1      LEU  31   1.919   1.935   2.161
  189   3HD1  LEU  31          3HD1      LEU  31   1.877   3.007   3.561
  190   1HD2  LEU  31          1HD2      LEU  31   4.141   4.675   2.547
  191   2HD2  LEU  31          2HD2      LEU  31   3.545   5.671   1.220
  192   3HD2  LEU  31          3HD2      LEU  31   4.270   4.098   0.887
  193    H    CYS  32           H        CYS  32  -0.949   2.602  -1.380
  194    HA   CYS  32           HA       CYS  32  -0.242   3.944  -3.960
  195   1HB   CYS  32          HB2       CYS  32  -1.077   1.052  -3.661
  196   2HB   CYS  32          HB1       CYS  32  -0.309   1.824  -5.048
  197    H    CYS  33           H        CYS  33  -2.629   4.027  -1.877
  198    HA   CYS  33           HA       CYS  33  -4.810   3.458  -3.823
  199   1HB   CYS  33          HB2       CYS  33  -5.172   2.460  -1.644
  200   2HB   CYS  33          HB1       CYS  33  -4.874   3.999  -0.839
  201    H    GLU  34           H        GLU  34  -5.406   5.172  -5.037
  202    HA   GLU  34           HA       GLU  34  -5.492   7.857  -3.727
  203   1HB   GLU  34          HB2       GLU  34  -4.640   7.302  -6.586
  204   2HB   GLU  34          HB1       GLU  34  -4.695   8.879  -5.797
  205   1HG   GLU  34          HG2       GLU  34  -2.928   8.301  -4.299
  206   2HG   GLU  34          HG1       GLU  34  -3.026   6.594  -4.732
  207    H    GLN  35           H        GLN  35  -7.347   9.039  -4.180
  208    HA   GLN  35           HA       GLN  35  -9.530   9.442  -4.934
  209   1HB   GLN  35          HB2       GLN  35  -8.012   8.795  -7.208
  210   2HB   GLN  35          HB1       GLN  35  -9.475   7.818  -7.339
  211   1HG   GLN  35          HG2       GLN  35 -10.724  10.011  -6.699
  212   2HG   GLN  35          HG1       GLN  35  -9.225  10.814  -7.168
  213   1HE2  GLN  35          1HE2      GLN  35 -10.086  11.763  -9.121
  214   2HE2  GLN  35          2HE2      GLN  35 -10.541  10.823 -10.459
  215    H    CYS  36           H        CYS  36  -8.807   6.997  -3.371
  216    HA   CYS  36           HA       CYS  36  -9.931   5.122  -2.539
  217   1HB   CYS  36          HB2       CYS  36 -12.090   6.613  -3.990
  218   2HB   CYS  36          HB1       CYS  36 -12.418   4.981  -3.420
  219    H    LYS  37           H        LYS  37  -8.329   4.835  -4.914
  220    HA   LYS  37           HA       LYS  37  -9.646   2.419  -6.026
  221   1HB   LYS  37          HB2       LYS  37  -9.622   4.786  -7.459
  222   2HB   LYS  37          HB1       LYS  37  -8.198   3.945  -8.069
  223   1HG   LYS  37          HG2       LYS  37  -9.541   1.959  -8.561
  224   2HG   LYS  37          HG1       LYS  37 -10.972   2.735  -7.879
  225   1HD   LYS  37          HD2       LYS  37 -10.401   4.632  -9.626
  226   2HD   LYS  37          HD1       LYS  37  -9.538   3.329 -10.444
  227   1HE   LYS  37          HE2       LYS  37 -11.458   2.352 -11.125
  228   2HE   LYS  37          HE1       LYS  37 -12.186   2.501  -9.526
  229   1HZ   LYS  37          HZ1       LYS  37 -12.496   4.918 -10.073
  230   2HZ   LYS  37          HZ2       LYS  37 -13.459   3.837 -10.962
  231   3HZ   LYS  37          HZ3       LYS  37 -12.085   4.538 -11.674
  232    H    PHE  38           H        PHE  38  -8.108   0.884  -6.876
  233    HA   PHE  38           HA       PHE  38  -5.569   0.886  -5.509
  234   1HB   PHE  38          HB2       PHE  38  -6.814  -0.846  -7.639
  235   2HB   PHE  38          HB1       PHE  38  -5.130  -1.072  -7.172
  236    HD1  PHE  38           HD2      PHE  38  -4.876  -0.859  -4.416
  237    HD2  PHE  38           HD1      PHE  38  -8.287  -2.299  -6.593
  238    HE1  PHE  38           HE2      PHE  38  -5.599  -2.153  -2.428
  239    HE2  PHE  38           HE1      PHE  38  -9.010  -3.593  -4.604
  240    HZ   PHE  38           HZ       PHE  38  -7.665  -3.520  -2.522
  241    H    SER  39           H        SER  39  -3.829   2.089  -6.118
  242    HA   SER  39           HA       SER  39  -3.616   3.621  -8.464
  243   1HB   SER  39          HB2       SER  39  -2.086   4.031  -6.644
  244   2HB   SER  39          HB1       SER  39  -1.453   2.391  -6.733
  245    HG   SER  39           HG       SER  39  -0.171   3.019  -8.271
  246    H    ARG  40           H        ARG  40  -1.527   3.088 -10.018
  247    HA   ARG  40           HA       ARG  40  -2.166   0.403 -11.158
  248   1HB   ARG  40          HB2       ARG  40  -2.509   2.530 -12.552
  249   2HB   ARG  40          HB1       ARG  40  -0.750   2.655 -12.592
  250   1HG   ARG  40          HG2       ARG  40  -0.642   1.105 -14.217
  251   2HG   ARG  40          HG1       ARG  40  -1.517  -0.048 -13.208
  252   1HD   ARG  40          HD2       ARG  40  -3.104   2.129 -14.492
  253   2HD   ARG  40          HD1       ARG  40  -2.520   0.829 -15.530
  254    HE   ARG  40           HE       ARG  40  -3.634  -0.643 -13.595
  255   1HH1  ARG  40          1HH1      ARG  40  -4.838   1.460 -15.913
  256   2HH1  ARG  40          2HH1      ARG  40  -6.451   1.515 -15.283
  257   1HH2  ARG  40          1HH2      ARG  40  -5.666  -0.225 -12.387
  258   2HH2  ARG  40          2HH2      ARG  40  -6.920   0.561 -13.287
  259    H    ALA  41           H        ALA  41  -0.406  -0.949 -11.822
  260    HA   ALA  41           HA       ALA  41   1.778  -1.158 -10.101
  261   1HB   ALA  41          HB1       ALA  41   2.732  -2.026 -12.617
  262   2HB   ALA  41          HB2       ALA  41   0.994  -2.330 -12.620
  263   3HB   ALA  41          HB3       ALA  41   2.008  -3.018 -11.351
  264    H    GLY  42           H        GLY  42   4.142  -0.787 -10.658
  265   1HA   GLY  42          HA2       GLY  42   5.885   0.651 -11.325
  266   2HA   GLY  42          HA1       GLY  42   4.814   1.271 -12.580
  267    H    LYS  43           H        LYS  43   3.692   1.257  -9.284
  268    HA   LYS  43           HA       LYS  43   3.821   4.239  -9.318
  269   1HB   LYS  43          HB2       LYS  43   1.588   3.349  -8.988
  270   2HB   LYS  43          HB1       LYS  43   2.154   2.317  -7.675
  271   1HG   LYS  43          HG2       LYS  43   1.024   4.418  -6.884
  272   2HG   LYS  43          HG1       LYS  43   2.682   4.246  -6.305
  273   1HD   LYS  43          HD2       LYS  43   3.386   6.071  -7.444
  274   2HD   LYS  43          HD1       LYS  43   2.506   5.601  -8.899
  275   1HE   LYS  43          HE2       LYS  43   0.699   6.875  -8.368
  276   2HE   LYS  43          HE1       LYS  43   0.786   6.450  -6.658
  277   1HZ   LYS  43          HZ1       LYS  43   2.753   7.949  -6.518
  278   2HZ   LYS  43          HZ2       LYS  43   1.290   8.743  -6.853
  279   3HZ   LYS  43          HZ3       LYS  43   2.413   8.469  -8.098
  280    H    ILE  44           H        ILE  44   5.523   5.079  -8.222
  281    HA   ILE  44           HA       ILE  44   7.090   3.572  -6.351
  282    HB   ILE  44           HB       ILE  44   7.543   5.805  -7.808
  283   1HG1  ILE  44          2HG1      ILE  44   9.220   4.321  -6.749
  284   2HG1  ILE  44          1HG1      ILE  44   9.633   6.024  -6.543
  285   1HG2  ILE  44          1HG2      ILE  44   7.238   6.839  -4.977
  286   2HG2  ILE  44          2HG2      ILE  44   6.072   7.152  -6.263
  287   3HG2  ILE  44          3HG2      ILE  44   7.723   7.758  -6.402
  288   1HD1  ILE  44          1HD1      ILE  44   9.954   5.032  -4.400
  289   2HD1  ILE  44          2HD1      ILE  44   8.435   4.142  -4.505
  290   3HD1  ILE  44          3HD1      ILE  44   8.418   5.893  -4.293
  291    H    CYS  45           H        CYS  45   6.570   3.104  -4.282
  292    HA   CYS  45           HA       CYS  45   4.575   4.847  -2.897
  293   1HB   CYS  45          HB2       CYS  45   4.398   2.824  -1.339
  294   2HB   CYS  45          HB1       CYS  45   3.743   2.626  -2.963
  295    H    ARG  46           H        ARG  46   7.828   3.658  -2.821
  296    HA   ARG  46           HA       ARG  46   8.395   5.424  -0.530
  297   1HB   ARG  46          HB2       ARG  46   8.360   2.470  -0.363
  298   2HB   ARG  46          HB1       ARG  46   9.809   3.239   0.288
  299   1HG   ARG  46          HG2       ARG  46   8.671   4.247   1.999
  300   2HG   ARG  46          HG1       ARG  46   7.225   4.504   1.022
  301   1HD   ARG  46          HD2       ARG  46   6.795   2.020   1.158
  302   2HD   ARG  46          HD1       ARG  46   8.116   1.917   2.321
  303    HE   ARG  46           HE       ARG  46   5.686   3.595   2.809
  304   1HH1  ARG  46          1HH1      ARG  46   7.363   0.778   3.612
  305   2HH1  ARG  46          2HH1      ARG  46   7.233   0.990   5.327
  306   1HH2  ARG  46          1HH2      ARG  46   5.860   4.165   5.096
  307   2HH2  ARG  46          2HH2      ARG  46   6.382   2.907   6.167
  308    H    ILE  47           H        ILE  47  10.311   6.421  -0.897
  309    HA   ILE  47           HA       ILE  47  12.196   5.125  -2.827
  310    HB   ILE  47           HB       ILE  47  11.123   7.143  -3.764
  311   1HG1  ILE  47          2HG1      ILE  47  13.304   8.499  -4.057
  312   2HG1  ILE  47          1HG1      ILE  47  14.049   7.278  -3.025
  313   1HG2  ILE  47          1HG2      ILE  47  11.131   8.078  -1.202
  314   2HG2  ILE  47          2HG2      ILE  47  10.910   9.104  -2.619
  315   3HG2  ILE  47          3HG2      ILE  47  12.503   8.957  -1.876
  316   1HD1  ILE  47          1HD1      ILE  47  13.893   5.636  -4.618
  317   2HD1  ILE  47          2HD1      ILE  47  13.919   7.024  -5.707
  318   3HD1  ILE  47          3HD1      ILE  47  12.384   6.271  -5.273
  319    HA   PRO  48           HA       PRO  48  14.415   5.613   1.146
  320   1HB   PRO  48          HB2       PRO  48  15.623   3.146   1.003
  321   2HB   PRO  48          HB1       PRO  48  14.027   3.418   1.724
  322   1HG   PRO  48          HG2       PRO  48  14.712   2.181  -0.902
  323   2HG   PRO  48          HG1       PRO  48  13.289   1.927   0.120
  324   1HD   PRO  48          HD2       PRO  48  13.389   3.528  -2.211
  325   2HD   PRO  48          HD1       PRO  48  12.089   3.527  -1.000
  326    H    ARG  49           H        ARG  49  15.954   7.125   0.468
  327    HA   ARG  49           HA       ARG  49  17.794   6.650  -1.709
  328   1HB   ARG  49          HB2       ARG  49  18.987   8.670  -0.701
  329   2HB   ARG  49          HB1       ARG  49  17.305   8.930  -1.166
  330   1HG   ARG  49          HG2       ARG  49  17.555   7.914   1.565
  331   2HG   ARG  49          HG1       ARG  49  18.395   9.449   1.340
  332   1HD   ARG  49          HD2       ARG  49  15.902   9.631  -0.031
  333   2HD   ARG  49          HD1       ARG  49  15.578   8.990   1.580
  334    HE   ARG  49           HE       ARG  49  16.386  11.040   2.522
  335   1HH1  ARG  49          1HH1      ARG  49  14.951  11.974  -0.066
  336   2HH1  ARG  49          2HH1      ARG  49  16.085  13.153  -0.635
  337   1HH2  ARG  49          1HH2      ARG  49  18.649  12.078   1.436
  338   2HH2  ARG  49          2HH2      ARG  49  18.177  13.212   0.214
  339    H    GLY  50           H        GLY  50  19.899   5.877  -1.633
  340   1HA   GLY  50          HA2       GLY  50  21.921   5.598  -0.078
  341   2HA   GLY  50          HA1       GLY  50  20.788   4.797   1.011
  342    H    GLU  51           H        GLU  51  21.767   4.605  -2.435
  343    HA   GLU  51           HA       GLU  51  22.129   2.726  -3.793
  344   1HB   GLU  51          HB2       GLU  51  23.092   1.948  -1.082
  345   2HB   GLU  51          HB1       GLU  51  22.870   0.649  -2.254
  346   1HG   GLU  51          HG2       GLU  51  24.175   2.937  -3.476
  347   2HG   GLU  51          HG1       GLU  51  25.078   2.369  -2.071
  348    H    MET  52           H        MET  52  19.447   3.196  -2.446
  349    HA   MET  52           HA       MET  52  18.448   0.386  -2.408
  350   1HB   MET  52          HB2       MET  52  17.846   2.723  -0.852
  351   2HB   MET  52          HB1       MET  52  16.390   2.215  -1.709
  352   1HG   MET  52          HG2       MET  52  16.161   0.379  -0.416
  353   2HG   MET  52          HG1       MET  52  17.858  -0.056  -0.614
  354   1HE   MET  52          HE1       MET  52  16.633   0.218   3.250
  355   2HE   MET  52          HE2       MET  52  17.217  -0.937   2.055
  356   3HE   MET  52          HE3       MET  52  15.674  -0.125   1.804
  357    HA   PRO  53           HA       PRO  53  16.450   1.058  -6.270
  358   1HB   PRO  53          HB2       PRO  53  14.513  -0.880  -6.058
  359   2HB   PRO  53          HB1       PRO  53  16.217  -1.232  -6.393
  360   1HG   PRO  53          HG2       PRO  53  14.686  -1.608  -3.859
  361   2HG   PRO  53          HG1       PRO  53  16.108  -2.483  -4.452
  362   1HD   PRO  53          HD2       PRO  53  16.121  -0.452  -2.485
  363   2HD   PRO  53          HD1       PRO  53  17.545  -1.085  -3.343
  364    H    ASP  54           H        ASP  54  13.716   0.706  -6.809
  365    HA   ASP  54           HA       ASP  54  12.440   2.749  -5.030
  366   1HB   ASP  54          HB2       ASP  54  12.149   2.377  -8.028
  367   2HB   ASP  54          HB1       ASP  54  11.187   3.496  -7.061
  368    H    ASP  55           H        ASP  55  10.616   2.020  -4.050
  369    HA   ASP  55           HA       ASP  55   9.549  -0.612  -4.721
  370   1HB   ASP  55          HB2       ASP  55   8.495   1.485  -2.798
  371   2HB   ASP  55          HB1       ASP  55   7.998  -0.207  -2.861
  372    H    ARG  56           H        ARG  56   8.301  -0.791  -6.525
  373    HA   ARG  56           HA       ARG  56   6.428   1.438  -7.177
  374   1HB   ARG  56          HB2       ARG  56   7.362  -0.872  -8.903
  375   2HB   ARG  56          HB1       ARG  56   6.346   0.471  -9.426
  376   1HG   ARG  56          HG2       ARG  56   8.780   1.393  -8.109
  377   2HG   ARG  56          HG1       ARG  56   9.128   0.399  -9.523
  378   1HD   ARG  56          HD2       ARG  56   7.747   1.806 -10.930
  379   2HD   ARG  56          HD1       ARG  56   7.187   2.724  -9.533
  380    HE   ARG  56           HE       ARG  56   9.404   3.723  -9.362
  381   1HH1  ARG  56          1HH1      ARG  56  10.581   1.191 -10.828
  382   2HH1  ARG  56          2HH1      ARG  56  11.191   1.957 -12.258
  383   1HH2  ARG  56          1HH2      ARG  56   9.460   4.914 -11.733
  384   2HH2  ARG  56          2HH2      ARG  56  10.555   4.064 -12.771
  385    H    CYS  57           H        CYS  57   4.376   1.104  -6.481
  386    HA   CYS  57           HA       CYS  57   3.346  -1.299  -5.439
  387   1HB   CYS  57          HB2       CYS  57   1.643   0.706  -6.932
  388   2HB   CYS  57          HB1       CYS  57   1.185  -0.299  -5.559
  389    H    THR  58           H        THR  58   1.826  -2.833  -6.394
  390    HA   THR  58           HA       THR  58   2.582  -3.524  -9.144
  391    HB   THR  58           HB       THR  58   2.449  -5.403  -7.700
  392    HG1  THR  58           HG1      THR  58   1.207  -5.455  -9.766
  393   1HG2  THR  58          1HG2      THR  58   0.009  -5.715  -6.611
  394   2HG2  THR  58          2HG2      THR  58   0.077  -3.954  -6.655
  395   3HG2  THR  58          3HG2      THR  58   1.312  -4.861  -5.786
  396    H    GLY  59           H        GLY  59   0.291  -1.515  -7.814
  397   1HA   GLY  59          HA2       GLY  59  -1.368  -0.331  -9.076
  398   2HA   GLY  59          HA1       GLY  59  -1.288  -1.588 -10.312
  399    H    GLN  60           H        GLN  60  -1.444  -3.661  -8.107
  400    HA   GLN  60           HA       GLN  60  -4.402  -3.549  -7.777
  401   1HB   GLN  60          HB2       GLN  60  -2.712  -5.994  -7.294
  402   2HB   GLN  60          HB1       GLN  60  -4.401  -5.897  -7.798
  403   1HG   GLN  60          HG2       GLN  60  -3.201  -4.595  -9.862
  404   2HG   GLN  60          HG1       GLN  60  -1.932  -5.740  -9.427
  405   1HE2  GLN  60          1HE2      GLN  60  -2.725  -8.106  -9.192
  406   2HE2  GLN  60          2HE2      GLN  60  -3.932  -8.626 -10.266
  407    H    SER  61           H        SER  61  -1.488  -3.171  -6.084
  408    HA   SER  61           HA       SER  61  -2.707  -3.996  -3.496
  409   1HB   SER  61          HB2       SER  61   0.095  -3.434  -4.416
  410   2HB   SER  61          HB1       SER  61  -0.298  -3.314  -2.704
  411    HG   SER  61           HG       SER  61   0.345  -5.463  -3.851
  412    H    ALA  62           H        ALA  62  -3.625  -2.457  -2.233
  413    HA   ALA  62           HA       ALA  62  -3.519   0.347  -2.976
  414   1HB   ALA  62          HB1       ALA  62  -5.542  -0.145  -1.958
  415   2HB   ALA  62          HB2       ALA  62  -4.650   0.482  -0.571
  416   3HB   ALA  62          HB3       ALA  62  -4.810  -1.259  -0.804
  417    H    ASP  63           H        ASP  63  -2.130  -1.595  -0.331
  418    HA   ASP  63           HA       ASP  63  -0.665   0.775   0.663
  419   1HB   ASP  63          HB2       ASP  63  -0.614  -2.098   1.636
  420   2HB   ASP  63          HB1       ASP  63   0.066  -0.702   2.472
  421    H    CYS  64           H        CYS  64   1.760   0.125   1.298
  422    HA   CYS  64           HA       CYS  64   2.971  -1.119  -1.139
  423   1HB   CYS  64          HB2       CYS  64   3.410   1.279  -1.100
  424   2HB   CYS  64          HB1       CYS  64   4.007   1.178   0.552
  425    HA   PRO  65           HA       PRO  65   4.557  -3.905   1.888
  426   1HB   PRO  65          HB2       PRO  65   5.705  -5.555   0.033
  427   2HB   PRO  65          HB1       PRO  65   3.989  -5.598   0.437
  428   1HG   PRO  65          HG2       PRO  65   5.338  -4.556  -1.997
  429   2HG   PRO  65          HG1       PRO  65   3.670  -5.119  -1.793
  430   1HD   PRO  65          HD2       PRO  65   4.532  -2.418  -1.902
  431   2HD   PRO  65          HD1       PRO  65   2.918  -2.994  -1.431
  432    H    ARG  66           H        ARG  66   6.978  -5.280   1.366
  433    HA   ARG  66           HA       ARG  66   8.936  -3.018   1.349
  434   1HB   ARG  66          HB2       ARG  66   8.494  -4.498   3.487
  435   2HB   ARG  66          HB1       ARG  66   9.510  -5.667   2.643
  436   1HG   ARG  66          HG2       ARG  66  11.376  -4.497   3.113
  437   2HG   ARG  66          HG1       ARG  66  10.657  -3.002   2.514
  438   1HD   ARG  66          HD2       ARG  66  10.041  -2.313   4.596
  439   2HD   ARG  66          HD1       ARG  66   9.589  -3.942   5.105
  440    HE   ARG  66           HE       ARG  66  12.298  -4.147   5.039
  441   1HH1  ARG  66          1HH2      ARG  66  10.960  -3.901   7.671
  442   2HH1  ARG  66          2HH2      ARG  66  11.676  -2.469   8.331
  443   1HH2  ARG  66          1HH1      ARG  66  12.900  -1.358   5.283
  444   2HH2  ARG  66          2HH1      ARG  66  12.776  -1.031   6.980
  445    H    TYR  67           H        TYR  67  10.251  -3.050  -0.406
  446    HA   TYR  67           HA       TYR  67  10.498  -5.551  -1.972
  447   1HB   TYR  67          HB2       TYR  67  10.176  -2.987  -2.788
  448   2HB   TYR  67          HB1       TYR  67  11.937  -3.095  -2.823
  449    HD1  TYR  67           HD1      TYR  67  13.074  -4.746  -4.262
  450    HD2  TYR  67           HD2      TYR  67   8.803  -4.292  -4.305
  451    HE1  TYR  67           HE1      TYR  67  12.960  -6.016  -6.388
  452    HE2  TYR  67           HE2      TYR  67   8.689  -5.564  -6.431
  453    HH   TYR  67           HH       TYR  67  11.162  -6.045  -8.416
  454    H    HIS  68           H        HIS  68  11.919  -4.739   0.701
  455    HA   HIS  68           HA       HIS  68  14.723  -5.150  -0.234
  456   1HB   HIS  68          HB2       HIS  68  14.533  -3.235   1.209
  457   2HB   HIS  68          HB1       HIS  68  13.578  -4.142   2.382
  458    HD1  HIS  68           HD1      HIS  68  16.986  -4.662   0.717
  459    HD2  HIS  68           HD2      HIS  68  15.192  -4.916   4.471
  460    HE1  HIS  68           HE1      HIS  68  18.797  -5.397   2.328
  Start of MODEL   20
    1   1H    GLY   1          HT1       GLY   1  -4.763  -7.168   6.363
    2   2H    GLY   1          HT2       GLY   1  -4.322  -7.489   4.755
    3   3H    GLY   1          HT3       GLY   1  -3.433  -8.168   6.034
    4   1HA   GLY   1          HA1       GLY   1  -4.785  -9.894   5.202
    5   2HA   GLY   1          HA2       GLY   1  -5.507  -9.363   6.722
    6    H    LYS   2           H        LYS   2  -7.487 -10.360   5.646
    7    HA   LYS   2           HA       LYS   2  -8.751  -8.393   3.779
    8   1HB   LYS   2          HB2       LYS   2  -8.357 -10.970   3.193
    9   2HB   LYS   2          HB1       LYS   2  -9.861 -11.147   4.098
   10   1HG   LYS   2          HG2       LYS   2 -10.719 -10.750   1.984
   11   2HG   LYS   2          HG1       LYS   2 -10.609  -9.094   2.582
   12   1HD   LYS   2          HD2       LYS   2  -9.594  -9.049   0.427
   13   2HD   LYS   2          HD1       LYS   2  -8.253  -9.048   1.573
   14   1HE   LYS   2          HE2       LYS   2  -7.731 -10.676  -0.122
   15   2HE   LYS   2          HE1       LYS   2  -8.175 -11.567   1.334
   16   1HZ   LYS   2          HZ1       LYS   2 -10.435 -11.768   0.443
   17   2HZ   LYS   2          HZ2       LYS   2  -9.282 -12.503  -0.566
   18   3HZ   LYS   2          HZ3       LYS   2  -9.939 -10.993  -0.982
   19    H    GLU   3           H        GLU   3  -9.603  -7.069   5.453
   20    HA   GLU   3           HA       GLU   3 -12.153  -7.865   6.485
   21   1HB   GLU   3          HB2       GLU   3 -10.855  -9.187   8.072
   22   2HB   GLU   3          HB1       GLU   3  -9.866  -7.782   8.470
   23   1HG   GLU   3          HG2       GLU   3 -11.687  -6.661   9.513
   24   2HG   GLU   3          HG1       GLU   3 -12.866  -7.775   8.820
   25    H    CYS   4           H        CYS   4  -9.358  -5.763   6.944
   26    HA   CYS   4           HA       CYS   4 -11.266  -3.478   7.197
   27   1HB   CYS   4          HB2       CYS   4  -8.842  -4.182   8.754
   28   2HB   CYS   4          HB1       CYS   4  -8.980  -2.487   8.292
   29    H    ASP   5           H        ASP   5 -11.248  -2.770   5.069
   30    HA   ASP   5           HA       ASP   5  -8.767  -2.652   3.530
   31   1HB   ASP   5          HB2       ASP   5 -11.340  -2.894   2.779
   32   2HB   ASP   5          HB1       ASP   5 -11.173  -1.143   2.638
   33    H    CYS   6           H        CYS   6  -9.963  -0.761   5.978
   34    HA   CYS   6           HA       CYS   6  -8.288   1.514   5.082
   35   1HB   CYS   6          HB2       CYS   6  -9.963   3.168   5.437
   36   2HB   CYS   6          HB1       CYS   6 -10.738   1.922   4.460
   37    H    SER   7           H        SER   7  -7.912   3.054   6.950
   38    HA   SER   7           HA       SER   7  -7.926   1.532   9.525
   39   1HB   SER   7          HB2       SER   7  -6.052   3.620   9.713
   40   2HB   SER   7          HB1       SER   7  -5.703   1.903   9.528
   41    HG   SER   7           HG       SER   7  -4.813   2.667   7.746
   42    H    SER   8           H        SER   8  -9.502   3.953   7.976
   43    HA   SER   8           HA       SER   8  -9.744   5.650  10.415
   44   1HB   SER   8          HB2       SER   8  -9.219   7.055   8.594
   45   2HB   SER   8          HB1       SER   8 -10.244   6.148   7.485
   46    HG   SER   8           HG       SER   8 -11.085   8.215   8.310
   47    HA   PRO   9           HA       PRO   9 -13.687   3.538  10.748
   48   1HB   PRO   9          HB2       PRO   9 -14.275   4.549  13.237
   49   2HB   PRO   9          HB1       PRO   9 -13.198   3.166  12.971
   50   1HG   PRO   9          HG2       PRO   9 -12.502   5.974  13.698
   51   2HG   PRO   9          HG1       PRO   9 -11.616   4.476  14.031
   52   1HD   PRO   9          HD2       PRO   9 -10.999   6.345  12.001
   53   2HD   PRO   9          HD1       PRO   9 -10.351   4.695  12.131
   54    H    GLU  10           H        GLU  10 -12.993   6.772  10.283
   55    HA   GLU  10           HA       GLU  10 -15.886   7.526  10.389
   56   1HB   GLU  10          HB2       GLU  10 -15.117   9.868  10.550
   57   2HB   GLU  10          HB1       GLU  10 -14.469   8.899  11.873
   58   1HG   GLU  10          HG2       GLU  10 -12.456   9.734  11.251
   59   2HG   GLU  10          HG1       GLU  10 -12.550   8.573   9.925
   60    H    ASN  11           H        ASN  11 -13.126   7.054   8.381
   61    HA   ASN  11           HA       ASN  11 -13.661   8.784   6.216
   62   1HB   ASN  11          HB2       ASN  11 -11.920   6.650   6.714
   63   2HB   ASN  11          HB1       ASN  11 -12.859   6.134   5.313
   64   1HD2  ASN  11          1HD2      ASN  11 -10.280   6.595   4.664
   65   2HD2  ASN  11          2HD2      ASN  11 -10.068   8.099   3.905
   66    HA   PRO  12           HA       PRO  12 -17.534   7.134   4.825
   67   1HB   PRO  12          HB2       PRO  12 -17.705   8.650   2.541
   68   2HB   PRO  12          HB1       PRO  12 -18.043   9.281   4.161
   69   1HG   PRO  12          HG2       PRO  12 -15.663   9.744   2.427
   70   2HG   PRO  12          HG1       PRO  12 -16.338  10.772   3.701
   71   1HD   PRO  12          HD2       PRO  12 -14.066   9.096   3.945
   72   2HD   PRO  12          HD1       PRO  12 -14.936   9.884   5.279
   73    H    CYS  13           H        CYS  13 -14.574   7.056   2.970
   74    HA   CYS  13           HA       CYS  13 -15.541   5.627   0.682
   75   1HB   CYS  13          HB2       CYS  13 -13.219   6.776   1.126
   76   2HB   CYS  13          HB1       CYS  13 -12.771   5.193   1.757
   77    H    CYS  14           H        CYS  14 -14.441   4.549   3.876
   78    HA   CYS  14           HA       CYS  14 -15.181   1.767   3.053
   79   1HB   CYS  14          HB2       CYS  14 -13.585   0.916   4.622
   80   2HB   CYS  14          HB1       CYS  14 -12.759   2.178   3.710
   81    H    ASP  15           H        ASP  15 -16.657   0.682   4.272
   82    HA   ASP  15           HA       ASP  15 -18.425   2.189   5.964
   83   1HB   ASP  15          HB2       ASP  15 -18.763  -0.037   4.554
   84   2HB   ASP  15          HB1       ASP  15 -18.321  -0.797   6.080
   85    H    ALA  16           H        ALA  16 -18.579   2.234   8.213
   86    HA   ALA  16           HA       ALA  16 -16.161   1.461   9.689
   87   1HB   ALA  16          HB1       ALA  16 -18.677   2.515  10.964
   88   2HB   ALA  16          HB2       ALA  16 -17.639   3.591  10.029
   89   3HB   ALA  16          HB3       ALA  16 -17.001   2.766  11.452
   90    H    ALA  17           H        ALA  17 -19.431   0.298   9.231
   91    HA   ALA  17           HA       ALA  17 -19.603  -1.415  11.514
   92   1HB   ALA  17          HB1       ALA  17 -21.609  -1.032  10.272
   93   2HB   ALA  17          HB2       ALA  17 -21.212  -2.731  10.016
   94   3HB   ALA  17          HB3       ALA  17 -20.854  -1.544   8.762
   95    H    THR  18           H        THR  18 -18.809  -2.307   8.131
   96    HA   THR  18           HA       THR  18 -17.510  -4.766   9.142
   97    HB   THR  18           HB       THR  18 -18.893  -5.118   7.212
   98    HG1  THR  18           HG1      THR  18 -17.384  -5.951   5.825
   99   1HG2  THR  18          1HG2      THR  18 -17.502  -2.652   6.214
  100   2HG2  THR  18          2HG2      THR  18 -19.225  -3.027   6.234
  101   3HG2  THR  18          3HG2      THR  18 -18.167  -3.807   5.058
  102    H    CYS  19           H        CYS  19 -16.628  -1.588   8.545
  103    HA   CYS  19           HA       CYS  19 -14.529  -0.550   8.351
  104   1HB   CYS  19          HB2       CYS  19 -13.966  -2.006  10.258
  105   2HB   CYS  19          HB1       CYS  19 -13.589  -3.324   9.152
  106    H    LYS  20           H        LYS  20 -15.705  -1.525   5.951
  107    HA   LYS  20           HA       LYS  20 -13.226  -1.991   4.390
  108   1HB   LYS  20          HB2       LYS  20 -15.593  -3.833   4.525
  109   2HB   LYS  20          HB1       LYS  20 -14.647  -3.726   3.039
  110   1HG   LYS  20          HG2       LYS  20 -12.661  -3.950   4.882
  111   2HG   LYS  20          HG1       LYS  20 -13.930  -4.888   5.667
  112   1HD   LYS  20          HD2       LYS  20 -12.829  -6.481   4.325
  113   2HD   LYS  20          HD1       LYS  20 -14.228  -6.023   3.353
  114   1HE   LYS  20          HE2       LYS  20 -12.490  -5.866   1.796
  115   2HE   LYS  20          HE1       LYS  20 -12.614  -4.204   2.372
  116   1HZ   LYS  20          HZ1       LYS  20 -10.629  -6.261   3.120
  117   2HZ   LYS  20          HZ2       LYS  20 -10.896  -4.890   4.087
  118   3HZ   LYS  20          HZ3       LYS  20 -10.355  -4.712   2.485
  119    H    LEU  21           H        LEU  21 -13.599  -1.600   2.041
  120    HA   LEU  21           HA       LEU  21 -14.968   0.810   1.544
  121   1HB   LEU  21          HB2       LEU  21 -14.029  -1.391  -0.279
  122   2HB   LEU  21          HB1       LEU  21 -14.837   0.047  -0.909
  123    HG   LEU  21           HG       LEU  21 -12.664   0.511   1.057
  124   1HD1  LEU  21          1HD1      LEU  21 -11.110  -0.652  -0.064
  125   2HD1  LEU  21          2HD1      LEU  21 -11.403   0.392  -1.454
  126   3HD1  LEU  21          3HD1      LEU  21 -12.289  -1.123  -1.289
  127   1HD2  LEU  21          1HD2      LEU  21 -14.034   1.858  -1.169
  128   2HD2  LEU  21          2HD2      LEU  21 -12.287   2.095  -1.174
  129   3HD2  LEU  21          3HD2      LEU  21 -13.236   2.552   0.241
  130    H    ARG  22           H        ARG  22 -17.048   1.288   1.209
  131    HA   ARG  22           HA       ARG  22 -18.987  -0.943   1.135
  132   1HB   ARG  22          HB2       ARG  22 -18.961   1.503   2.464
  133   2HB   ARG  22          HB1       ARG  22 -20.154   1.720   1.183
  134   1HG   ARG  22          HG2       ARG  22 -21.126  -0.534   1.892
  135   2HG   ARG  22          HG1       ARG  22 -20.108  -0.409   3.328
  136   1HD   ARG  22          HD2       ARG  22 -21.275   1.423   4.163
  137   2HD   ARG  22          HD1       ARG  22 -21.851   1.912   2.570
  138    HE   ARG  22           HE       ARG  22 -22.988  -0.318   4.189
  139   1HH1  ARG  22          1HH1      ARG  22 -22.818   0.810   1.024
  140   2HH1  ARG  22          2HH1      ARG  22 -24.532   0.900   0.781
  141   1HH2  ARG  22          1HH2      ARG  22 -25.305   0.236   4.095
  142   2HH2  ARG  22          2HH2      ARG  22 -25.938   0.575   2.519
  143    HA   PRO  23           HA       PRO  23 -20.400   1.520  -2.680
  144   1HB   PRO  23          HB2       PRO  23 -18.914   3.708  -3.448
  145   2HB   PRO  23          HB1       PRO  23 -20.285   3.787  -2.328
  146   1HG   PRO  23          HG2       PRO  23 -17.374   3.987  -1.746
  147   2HG   PRO  23          HG1       PRO  23 -18.749   4.621  -0.827
  148   1HD   PRO  23          HD2       PRO  23 -17.253   2.289  -0.222
  149   2HD   PRO  23          HD1       PRO  23 -18.782   2.781   0.536
  150    H    GLY  24           H        GLY  24 -18.907   2.561  -4.893
  151   1HA   GLY  24          HA2       GLY  24 -17.445   0.132  -5.655
  152   2HA   GLY  24          HA1       GLY  24 -17.831   1.484  -6.716
  153    H    ALA  25           H        ALA  25 -16.314   2.118  -3.634
  154    HA   ALA  25           HA       ALA  25 -14.036   3.339  -4.979
  155   1HB   ALA  25          HB1       ALA  25 -13.315   3.338  -2.370
  156   2HB   ALA  25          HB2       ALA  25 -15.058   3.130  -2.197
  157   3HB   ALA  25          HB3       ALA  25 -14.419   4.530  -3.057
  158    H    GLN  26           H        GLN  26 -12.153   2.312  -5.477
  159    HA   GLN  26           HA       GLN  26 -11.812  -0.500  -4.808
  160   1HB   GLN  26          HB2       GLN  26  -9.690   1.297  -5.975
  161   2HB   GLN  26          HB1       GLN  26  -9.927  -0.426  -6.239
  162   1HG   GLN  26          HG2       GLN  26 -12.343   0.664  -7.047
  163   2HG   GLN  26          HG1       GLN  26 -11.157   1.844  -7.611
  164   1HE2  GLN  26          1HE2      GLN  26 -12.775  -0.776  -8.726
  165   2HE2  GLN  26          2HE2      GLN  26 -11.611  -1.433  -9.772
  166    H    CYS  27           H        CYS  27 -11.050   2.412  -3.215
  167    HA   CYS  27           HA       CYS  27  -9.595   0.961  -1.142
  168   1HB   CYS  27          HB2       CYS  27  -7.551   2.407  -1.332
  169   2HB   CYS  27          HB1       CYS  27  -7.754   1.291  -2.683
  170    H    GLY  28           H        GLY  28  -9.321   2.259   0.773
  171   1HA   GLY  28          HA2       GLY  28 -11.049   4.686   0.769
  172   2HA   GLY  28          HA1       GLY  28 -10.698   3.701   2.189
  173    H    GLU  29           H        GLU  29  -7.865   3.456   1.679
  174    HA   GLU  29           HA       GLU  29  -6.700   6.093   1.411
  175   1HB   GLU  29          HB2       GLU  29  -6.092   6.492   3.695
  176   2HB   GLU  29          HB1       GLU  29  -7.825   6.189   3.679
  177   1HG   GLU  29          HG2       GLU  29  -7.318   4.706   5.335
  178   2HG   GLU  29          HG1       GLU  29  -6.886   3.655   3.987
  179    H    GLY  30           H        GLY  30  -4.334   6.008   1.713
  180   1HA   GLY  30          HA2       GLY  30  -2.680   4.013   2.546
  181   2HA   GLY  30          HA1       GLY  30  -3.275   3.352   1.023
  182    H    LEU  31           H        LEU  31  -0.709   3.669   0.847
  183    HA   LEU  31           HA       LEU  31  -0.019   6.408   0.032
  184   1HB   LEU  31          HB2       LEU  31   2.237   5.327  -0.546
  185   2HB   LEU  31          HB1       LEU  31   1.793   5.398   1.151
  186    HG   LEU  31           HG       LEU  31   2.772   3.198   0.176
  187   1HD1  LEU  31          1HD1      LEU  31   0.993   3.808   2.277
  188   2HD1  LEU  31          2HD1      LEU  31   2.069   2.418   2.151
  189   3HD1  LEU  31          3HD1      LEU  31   0.414   2.307   1.562
  190   1HD2  LEU  31          1HD2      LEU  31   1.214   1.701  -0.866
  191   2HD2  LEU  31          2HD2      LEU  31   1.138   3.209  -1.760
  192   3HD2  LEU  31          3HD2      LEU  31  -0.130   2.806  -0.607
  193    H    CYS  32           H        CYS  32  -1.492   3.803  -1.427
  194    HA   CYS  32           HA       CYS  32  -0.728   4.856  -4.112
  195   1HB   CYS  32          HB2       CYS  32  -0.776   2.004  -3.160
  196   2HB   CYS  32          HB1       CYS  32  -1.096   2.375  -4.855
  197    H    CYS  33           H        CYS  33  -3.014   5.531  -2.507
  198    HA   CYS  33           HA       CYS  33  -5.174   4.330  -4.191
  199   1HB   CYS  33          HB2       CYS  33  -5.565   3.558  -1.959
  200   2HB   CYS  33          HB1       CYS  33  -5.220   5.144  -1.274
  201    H    GLU  34           H        GLU  34  -5.871   5.853  -5.604
  202    HA   GLU  34           HA       GLU  34  -5.930   8.696  -4.666
  203   1HB   GLU  34          HB2       GLU  34  -5.357   7.544  -7.407
  204   2HB   GLU  34          HB1       GLU  34  -5.725   9.248  -7.143
  205   1HG   GLU  34          HG2       GLU  34  -3.754   8.466  -5.226
  206   2HG   GLU  34          HG1       GLU  34  -3.218   7.920  -6.816
  207    H    GLN  35           H        GLN  35  -7.961   9.522  -4.547
  208    HA   GLN  35           HA       GLN  35 -10.261   9.799  -4.940
  209   1HB   GLN  35          HB2       GLN  35  -9.093   9.026  -7.509
  210   2HB   GLN  35          HB1       GLN  35 -10.780   8.533  -7.359
  211   1HG   GLN  35          HG2       GLN  35 -10.933  10.724  -8.206
  212   2HG   GLN  35          HG1       GLN  35 -11.177  10.941  -6.472
  213   1HE2  GLN  35          1HE2      GLN  35  -8.989  11.585  -9.144
  214   2HE2  GLN  35          2HE2      GLN  35  -7.880  12.517  -8.260
  215    H    CYS  36           H        CYS  36  -9.205   7.382  -3.598
  216    HA   CYS  36           HA       CYS  36 -10.048   5.354  -2.778
  217   1HB   CYS  36          HB2       CYS  36 -12.491   6.721  -3.870
  218   2HB   CYS  36          HB1       CYS  36 -12.607   5.051  -3.318
  219    H    LYS  37           H        LYS  37  -8.801   5.459  -5.406
  220    HA   LYS  37           HA       LYS  37 -10.140   3.093  -6.647
  221   1HB   LYS  37          HB2       LYS  37  -9.149   5.626  -7.878
  222   2HB   LYS  37          HB1       LYS  37  -8.876   4.133  -8.775
  223   1HG   LYS  37          HG2       LYS  37 -11.137   3.739  -9.083
  224   2HG   LYS  37          HG1       LYS  37 -11.593   4.601  -7.613
  225   1HD   LYS  37          HD2       LYS  37 -11.864   6.538  -8.735
  226   2HD   LYS  37          HD1       LYS  37 -10.290   6.374  -9.517
  227   1HE   LYS  37          HE2       LYS  37 -11.934   4.416 -10.704
  228   2HE   LYS  37          HE1       LYS  37 -12.919   5.876 -10.615
  229   1HZ   LYS  37          HZ1       LYS  37 -10.334   6.603 -11.396
  230   2HZ   LYS  37          HZ2       LYS  37 -11.775   6.713 -12.291
  231   3HZ   LYS  37          HZ3       LYS  37 -10.822   5.308 -12.376
  232    H    PHE  38           H        PHE  38  -8.619   1.566  -7.629
  233    HA   PHE  38           HA       PHE  38  -6.120   1.394  -6.141
  234   1HB   PHE  38          HB2       PHE  38  -7.453  -0.281  -8.255
  235   2HB   PHE  38          HB1       PHE  38  -5.773  -0.578  -7.830
  236    HD1  PHE  38           HD2      PHE  38  -5.792   0.055  -4.922
  237    HD2  PHE  38           HD1      PHE  38  -8.608  -2.124  -7.325
  238    HE1  PHE  38           HE2      PHE  38  -6.520  -1.212  -2.920
  239    HE2  PHE  38           HE1      PHE  38  -9.333  -3.394  -5.322
  240    HZ   PHE  38           HZ       PHE  38  -8.290  -2.937  -3.120
  241    H    SER  39           H        SER  39  -4.256   2.386  -6.746
  242    HA   SER  39           HA       SER  39  -3.997   3.866  -9.177
  243   1HB   SER  39          HB2       SER  39  -1.684   2.761  -7.570
  244   2HB   SER  39          HB1       SER  39  -1.725   4.236  -8.532
  245    HG   SER  39           HG       SER  39  -3.504   4.832  -7.004
  246    H    ARG  40           H        ARG  40  -1.209   2.695  -9.733
  247    HA   ARG  40           HA       ARG  40  -2.114   0.216 -11.130
  248   1HB   ARG  40          HB2       ARG  40  -0.239   2.259 -12.354
  249   2HB   ARG  40          HB1       ARG  40  -0.994   0.876 -13.150
  250   1HG   ARG  40          HG2       ARG  40  -3.236   1.923 -12.674
  251   2HG   ARG  40          HG1       ARG  40  -2.382   3.358 -12.103
  252   1HD   ARG  40          HD2       ARG  40  -1.597   3.904 -14.222
  253   2HD   ARG  40          HD1       ARG  40  -1.695   2.241 -14.799
  254    HE   ARG  40           HE       ARG  40  -4.338   3.085 -14.250
  255   1HH1  ARG  40          1HH2      ARG  40  -3.163   2.061 -16.899
  256   2HH1  ARG  40          2HH2      ARG  40  -3.505   3.400 -17.942
  257   1HH2  ARG  40          1HH1      ARG  40  -4.157   5.601 -15.344
  258   2HH2  ARG  40          2HH1      ARG  40  -4.070   5.403 -17.063
  259    H    ALA  41           H        ALA  41  -0.492  -1.404 -11.310
  260    HA   ALA  41           HA       ALA  41   1.416  -1.603  -9.259
  261   1HB   ALA  41          HB1       ALA  41   0.544  -3.319 -11.141
  262   2HB   ALA  41          HB2       ALA  41   2.033  -3.591 -10.235
  263   3HB   ALA  41          HB3       ALA  41   2.099  -2.894 -11.855
  264    H    GLY  42           H        GLY  42   3.860  -1.683  -9.586
  265   1HA   GLY  42          HA2       GLY  42   5.859  -0.621 -10.241
  266   2HA   GLY  42          HA1       GLY  42   5.027  -0.097 -11.706
  267    H    LYS  43           H        LYS  43   3.521   0.593  -8.668
  268    HA   LYS  43           HA       LYS  43   3.954   3.486  -9.159
  269   1HB   LYS  43          HB2       LYS  43   1.671   2.903  -8.745
  270   2HB   LYS  43          HB1       LYS  43   2.104   1.943  -7.331
  271   1HG   LYS  43          HG2       LYS  43   1.157   4.225  -6.792
  272   2HG   LYS  43          HG1       LYS  43   2.746   3.909  -6.096
  273   1HD   LYS  43          HD2       LYS  43   2.720   6.143  -7.090
  274   2HD   LYS  43          HD1       LYS  43   3.794   5.095  -8.018
  275   1HE   LYS  43          HE2       LYS  43   2.239   4.865  -9.782
  276   2HE   LYS  43          HE1       LYS  43   0.896   5.425  -8.787
  277   1HZ   LYS  43          HZ1       LYS  43   2.890   6.947 -10.233
  278   2HZ   LYS  43          HZ2       LYS  43   2.548   7.521  -8.671
  279   3HZ   LYS  43          HZ3       LYS  43   1.301   7.363  -9.813
  280    H    ILE  44           H        ILE  44   5.775   4.307  -8.245
  281    HA   ILE  44           HA       ILE  44   7.257   3.166  -6.126
  282    HB   ILE  44           HB       ILE  44   8.198   4.891  -7.579
  283   1HG1  ILE  44          2HG1      ILE  44   9.285   6.259  -5.874
  284   2HG1  ILE  44          1HG1      ILE  44   7.996   5.899  -4.724
  285   1HG2  ILE  44          1HG2      ILE  44   6.751   7.087  -6.201
  286   2HG2  ILE  44          2HG2      ILE  44   5.804   6.142  -7.350
  287   3HG2  ILE  44          3HG2      ILE  44   7.271   6.963  -7.881
  288   1HD1  ILE  44          1HD1      ILE  44  10.249   4.512  -4.683
  289   2HD1  ILE  44          2HD1      ILE  44   9.471   3.619  -5.989
  290   3HD1  ILE  44          3HD1      ILE  44   8.702   3.711  -4.405
  291    H    CYS  45           H        CYS  45   6.592   2.850  -4.065
  292    HA   CYS  45           HA       CYS  45   4.719   4.851  -2.863
  293   1HB   CYS  45          HB2       CYS  45   4.208   2.927  -1.256
  294   2HB   CYS  45          HB1       CYS  45   3.624   2.743  -2.909
  295    H    ARG  46           H        ARG  46   7.851   3.454  -2.679
  296    HA   ARG  46           HA       ARG  46   8.433   5.101  -0.299
  297   1HB   ARG  46          HB2       ARG  46   7.865   2.417   0.059
  298   2HB   ARG  46          HB1       ARG  46   9.624   2.425  -0.074
  299   1HG   ARG  46          HG2       ARG  46   9.785   3.219   2.022
  300   2HG   ARG  46          HG1       ARG  46   8.852   4.642   1.557
  301   1HD   ARG  46          HD2       ARG  46   6.788   3.051   1.788
  302   2HD   ARG  46          HD1       ARG  46   7.881   2.060   2.755
  303    HE   ARG  46           HE       ARG  46   6.913   4.768   3.471
  304   1HH1  ARG  46          1HH2      ARG  46   9.733   3.044   3.914
  305   2HH1  ARG  46          2HH2      ARG  46   9.648   2.987   5.642
  306   1HH2  ARG  46          1HH1      ARG  46   6.425   4.260   5.789
  307   2HH2  ARG  46          2HH1      ARG  46   7.774   3.679   6.706
  308    H    ILE  47           H        ILE  47  10.095   6.295  -1.105
  309    HA   ILE  47           HA       ILE  47  12.171   4.866  -2.713
  310    HB   ILE  47           HB       ILE  47  11.086   6.530  -4.080
  311   1HG1  ILE  47          2HG1      ILE  47  12.980   7.982  -4.612
  312   2HG1  ILE  47          1HG1      ILE  47  13.693   7.673  -3.029
  313   1HG2  ILE  47          1HG2      ILE  47  10.825   8.835  -3.414
  314   2HG2  ILE  47          2HG2      ILE  47  11.753   8.571  -1.940
  315   3HG2  ILE  47          3HG2      ILE  47  10.162   7.834  -2.124
  316   1HD1  ILE  47          1HD1      ILE  47  13.045   5.206  -4.455
  317   2HD1  ILE  47          2HD1      ILE  47  14.561   5.696  -3.698
  318   3HD1  ILE  47          3HD1      ILE  47  14.189   6.214  -5.342
  319    HA   PRO  48           HA       PRO  48  14.379   6.063   1.064
  320   1HB   PRO  48          HB2       PRO  48  16.121   3.938   0.933
  321   2HB   PRO  48          HB1       PRO  48  14.519   3.847   1.685
  322   1HG   PRO  48          HG2       PRO  48  15.425   2.763  -0.945
  323   2HG   PRO  48          HG1       PRO  48  14.131   2.188   0.120
  324   1HD   PRO  48          HD2       PRO  48  13.771   3.717  -2.226
  325   2HD   PRO  48          HD1       PRO  48  12.550   3.448  -0.963
  326    H    ARG  49           H        ARG  49  15.877   7.671   0.770
  327    HA   ARG  49           HA       ARG  49  17.418   7.924  -1.659
  328   1HB   ARG  49          HB2       ARG  49  17.952   9.332   0.967
  329   2HB   ARG  49          HB1       ARG  49  18.349   9.895  -0.658
  330   1HG   ARG  49          HG2       ARG  49  15.503   9.269  -0.329
  331   2HG   ARG  49          HG1       ARG  49  16.055  10.554   0.745
  332   1HD   ARG  49          HD2       ARG  49  17.255  11.409  -1.471
  333   2HD   ARG  49          HD1       ARG  49  15.966  10.486  -2.244
  334    HE   ARG  49           HE       ARG  49  14.813  12.129  -0.216
  335   1HH1  ARG  49          1HH1      ARG  49  16.263  12.194  -3.347
  336   2HH1  ARG  49          2HH1      ARG  49  15.538  13.702  -3.795
  337   1HH2  ARG  49          1HH2      ARG  49  13.925  14.137  -0.758
  338   2HH2  ARG  49          2HH2      ARG  49  14.215  14.799  -2.332
  339    H    GLY  50           H        GLY  50  19.648   7.567  -1.970
  340   1HA   GLY  50          HA2       GLY  50  21.864   7.063  -0.899
  341   2HA   GLY  50          HA1       GLY  50  20.990   5.981   0.185
  342    H    GLU  51           H        GLU  51  21.806   3.988  -0.402
  343    HA   GLU  51           HA       GLU  51  21.815   3.300  -3.304
  344   1HB   GLU  51          HB2       GLU  51  23.757   2.903  -1.404
  345   2HB   GLU  51          HB1       GLU  51  22.925   1.347  -1.393
  346   1HG   GLU  51          HG2       GLU  51  23.769   0.781  -3.407
  347   2HG   GLU  51          HG1       GLU  51  23.327   2.340  -4.105
  348    H    MET  52           H        MET  52  19.501   3.339  -1.248
  349    HA   MET  52           HA       MET  52  18.748   0.505  -1.104
  350   1HB   MET  52          HB2       MET  52  17.303   3.060  -0.352
  351   2HB   MET  52          HB1       MET  52  16.610   1.451  -0.143
  352   1HG   MET  52          HG2       MET  52  19.317   1.603   0.924
  353   2HG   MET  52          HG1       MET  52  18.250   2.785   1.682
  354   1HE   MET  52          HE1       MET  52  18.656  -1.422   1.328
  355   2HE   MET  52          HE2       MET  52  19.076  -1.053   2.998
  356   3HE   MET  52          HE3       MET  52  19.791  -0.115   1.690
  357    HA   PRO  53           HA       PRO  53  16.521   0.435  -4.895
  358   1HB   PRO  53          HB2       PRO  53  14.774  -1.605  -4.307
  359   2HB   PRO  53          HB1       PRO  53  16.489  -1.860  -4.676
  360   1HG   PRO  53          HG2       PRO  53  15.097  -1.981  -2.038
  361   2HG   PRO  53          HG1       PRO  53  16.564  -2.818  -2.572
  362   1HD   PRO  53          HD2       PRO  53  16.483  -0.525  -0.922
  363   2HD   PRO  53          HD1       PRO  53  17.920  -1.159  -1.754
  364    H    ASP  54           H        ASP  54  14.080   0.332  -5.634
  365    HA   ASP  54           HA       ASP  54  12.551   2.188  -3.860
  366   1HB   ASP  54          HB2       ASP  54  12.048   1.762  -6.804
  367   2HB   ASP  54          HB1       ASP  54  11.588   3.141  -5.803
  368    H    ASP  55           H        ASP  55  10.319   1.767  -3.514
  369    HA   ASP  55           HA       ASP  55   9.539  -1.060  -4.051
  370   1HB   ASP  55          HB2       ASP  55   9.531   0.230  -1.690
  371   2HB   ASP  55          HB1       ASP  55   7.917   0.671  -2.248
  372    H    ARG  56           H        ARG  56   7.630  -1.514  -5.173
  373    HA   ARG  56           HA       ARG  56   6.120   0.846  -6.220
  374   1HB   ARG  56          HB2       ARG  56   6.542  -1.652  -7.840
  375   2HB   ARG  56          HB1       ARG  56   6.094  -0.037  -8.391
  376   1HG   ARG  56          HG2       ARG  56   8.585   0.187  -7.028
  377   2HG   ARG  56          HG1       ARG  56   8.715  -1.161  -8.158
  378   1HD   ARG  56          HD2       ARG  56   7.665   0.398  -9.900
  379   2HD   ARG  56          HD1       ARG  56   7.981   1.707  -8.761
  380    HE   ARG  56           HE       ARG  56  10.441   0.714  -8.893
  381   1HH1  ARG  56          1HH1      ARG  56   8.514   2.242 -11.139
  382   2HH1  ARG  56          2HH1      ARG  56   9.469   1.827 -12.523
  383   1HH2  ARG  56          1HH2      ARG  56  11.507  -0.375 -10.786
  384   2HH2  ARG  56          2HH2      ARG  56  11.163   0.346 -12.323
  385    H    CYS  57           H        CYS  57   3.946   0.697  -5.939
  386    HA   CYS  57           HA       CYS  57   2.796  -1.533  -4.521
  387   1HB   CYS  57          HB2       CYS  57   1.472   0.701  -6.092
  388   2HB   CYS  57          HB1       CYS  57   0.615  -0.431  -5.048
  389    H    THR  58           H        THR  58   1.079  -2.950  -5.410
  390    HA   THR  58           HA       THR  58   1.850  -3.976  -8.045
  391    HB   THR  58           HB       THR  58   0.284  -5.788  -7.559
  392    HG1  THR  58           HG1      THR  58  -0.657  -5.459  -5.275
  393   1HG2  THR  58          1HG2      THR  58   1.210  -6.484  -5.302
  394   2HG2  THR  58          2HG2      THR  58   1.989  -4.903  -5.220
  395   3HG2  THR  58          3HG2      THR  58   2.426  -6.035  -6.500
  396    H    GLY  59           H        GLY  59  -0.050  -1.459  -7.153
  397   1HA   GLY  59          HA2       GLY  59  -1.451  -0.195  -8.619
  398   2HA   GLY  59          HA1       GLY  59  -1.568  -1.602  -9.677
  399    H    GLN  60           H        GLN  60  -2.595  -3.571  -8.237
  400    HA   GLN  60           HA       GLN  60  -5.318  -2.691  -7.703
  401   1HB   GLN  60          HB2       GLN  60  -3.864  -5.304  -7.767
  402   2HB   GLN  60          HB1       GLN  60  -5.389  -5.229  -6.884
  403   1HG   GLN  60          HG2       GLN  60  -5.336  -3.980  -9.587
  404   2HG   GLN  60          HG1       GLN  60  -5.291  -5.742  -9.519
  405   1HE2  GLN  60          1HE2      GLN  60  -7.491  -3.407  -9.966
  406   2HE2  GLN  60          2HE2      GLN  60  -8.826  -4.055  -9.142
  407    H    SER  61           H        SER  61  -2.511  -2.719  -5.859
  408    HA   SER  61           HA       SER  61  -3.968  -3.200  -3.310
  409   1HB   SER  61          HB2       SER  61  -1.029  -2.886  -3.960
  410   2HB   SER  61          HB1       SER  61  -1.647  -3.014  -2.317
  411    HG   SER  61           HG       SER  61  -1.454  -5.080  -2.717
  412    H    ALA  62           H        ALA  62  -4.162  -1.566  -1.741
  413    HA   ALA  62           HA       ALA  62  -3.877   1.190  -2.778
  414   1HB   ALA  62          HB1       ALA  62  -5.153   0.074  -0.263
  415   2HB   ALA  62          HB2       ALA  62  -5.989   0.657  -1.701
  416   3HB   ALA  62          HB3       ALA  62  -5.112   1.789  -0.672
  417    H    ASP  63           H        ASP  63  -2.884  -0.684   0.108
  418    HA   ASP  63           HA       ASP  63  -1.067   1.457   0.933
  419   1HB   ASP  63          HB2       ASP  63  -1.077  -1.359   2.022
  420   2HB   ASP  63          HB1       ASP  63  -0.603   0.131   2.840
  421    H    CYS  64           H        CYS  64   1.305   0.663   1.470
  422    HA   CYS  64           HA       CYS  64   2.296  -0.744  -0.968
  423   1HB   CYS  64          HB2       CYS  64   3.060   1.519  -0.992
  424   2HB   CYS  64          HB1       CYS  64   3.560   1.441   0.694
  425    HA   PRO  65           HA       PRO  65   3.604  -3.708   2.065
  426   1HB   PRO  65          HB2       PRO  65   4.072  -5.641   0.184
  427   2HB   PRO  65          HB1       PRO  65   2.472  -5.300   0.845
  428   1HG   PRO  65          HG2       PRO  65   3.577  -4.694  -1.842
  429   2HG   PRO  65          HG1       PRO  65   1.886  -4.834  -1.331
  430   1HD   PRO  65          HD2       PRO  65   3.340  -2.424  -1.778
  431   2HD   PRO  65          HD1       PRO  65   1.714  -2.571  -1.081
  432    H    ARG  66           H        ARG  66   5.582  -5.572   1.351
  433    HA   ARG  66           HA       ARG  66   7.889  -3.973   0.367
  434   1HB   ARG  66          HB2       ARG  66   7.515  -4.115   3.023
  435   2HB   ARG  66          HB1       ARG  66   8.343  -5.656   2.789
  436   1HG   ARG  66          HG2       ARG  66  10.238  -4.410   2.933
  437   2HG   ARG  66          HG1       ARG  66   9.881  -3.986   1.258
  438   1HD   ARG  66          HD2       ARG  66   8.812  -2.428   3.623
  439   2HD   ARG  66          HD1       ARG  66  10.307  -2.009   2.787
  440    HE   ARG  66           HE       ARG  66   8.741  -1.925   0.687
  441   1HH1  ARG  66          1HH1      ARG  66   6.862  -2.114   3.401
  442   2HH1  ARG  66          2HH1      ARG  66   6.067  -0.588   3.202
  443   1HH2  ARG  66          1HH2      ARG  66   8.155   0.465   0.642
  444   2HH2  ARG  66          2HH2      ARG  66   6.799   0.872   1.641
  445    H    TYR  67           H        TYR  67   9.770  -5.410  -0.138
  446    HA   TYR  67           HA       TYR  67   8.808  -7.927  -1.307
  447   1HB   TYR  67          HB2       TYR  67  11.200  -8.072  -2.140
  448   2HB   TYR  67          HB1       TYR  67  10.317  -6.639  -2.666
  449    HD1  TYR  67           HD2      TYR  67  12.674  -7.871  -0.039
  450    HD2  TYR  67           HD1      TYR  67  11.123  -4.481  -2.173
  451    HE1  TYR  67           HE2      TYR  67  14.393  -6.425   1.010
  452    HE2  TYR  67           HE1      TYR  67  12.844  -3.034  -1.123
  453    HH   TYR  67           HH       TYR  67  14.440  -2.917   0.438
  454    H    HIS  68           H        HIS  68  10.029  -7.017   1.686
  455    HA   HIS  68           HA       HIS  68  11.678  -9.356   2.219
  456   1HB   HIS  68          HB2       HIS  68  11.050  -6.921   3.547
  457   2HB   HIS  68          HB1       HIS  68  10.582  -8.235   4.626
  458    HD1  HIS  68           HD1      HIS  68  12.610  -7.851   6.208
  459    HD2  HIS  68           HD2      HIS  68  13.692  -8.720   2.276
  460    HE1  HIS  68           HE1      HIS  68  15.093  -8.350   6.242