*HEADER    TOXIN                                   30-DEC-13   2MJ9              
*TITLE     DESIGNED EXENDIN-4 ANALOGUES                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EXENDIN-4;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HELODERMA SUSPECTUM;                            
*SOURCE   3 ORGANISM_COMMON: GILA MONSTER;                                       
*SOURCE   4 ORGANISM_TAXID: 8554;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PUBK2                                      
*KEYWDS    ALPHA HELIX, TRP-CAGE, TOXIN                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    P.ROVO, V.FARKAS, P.STRANER, A.JERMENDY, O.HEGYI, G.TOTH, A.PERCZEL   
*REVDAT   1   04-JUN-14 2MJ9    0                                                


!i,i
assign (residue 6 and name HB1) (residue 6 and name HN) 1.8 0.0 2.7
assign (residue 6 and name HB2) (residue 6 and name HN) 1.8 0.0 2.7
assign (residue 6 and name HB1) (residue 6 and name HE#) 1.8 0.0 4.7
assign (residue 6 and name HB2) (residue 6 and name HE#) 1.8 0.0 4.7
assign (residue 6 and name HB1) (residue 6 and name HD#) 1.8 0.0 3.2
assign (residue 6 and name HB2) (residue 6 and name HD#) 1.8 0.0 3.2
assign (residue 10 and name HA) (residue 10 and name HB#) 1.8 0.0 2.7
assign (residue 10 and name HB#) (residue 10 and name HD1#) 1.8 0.0 2.7
assign (residue 10 and name HB#) (residue 10 and name HD2#) 1.8 0.0 2.7
assign (residue 12 and name HA) (residue 12 and name HN) 1.8 0.0 1.7
assign (residue 13 and name HA) (residue 13 and name HB#) 1.8 0.0 2.7
assign (residue 13 and name HA) (residue 13 and name HN) 1.8 0.0 1.7
assign (residue 13 and name HE21) (residue 13 and name HE22) 1.8 0.0 0.7
assign (residue 14 and name HA) (residue 14 and name HB#) 1.8 0.0 1.7
assign (residue 14 and name HB#) (residue 14 and name HN) 1.8 0.0 2.7
assign (residue 15 and name HB#) (residue 15 and name HN) 1.8 0.0 2.7
assign (residue 16 and name HA) (residue 16 and name HB#) 1.8 0.0 1.7
assign (residue 17 and name HA) (residue 17 and name HB2) 1.8 0.0 1.7
assign (residue 17 and name HA) (residue 17 and name HN) 1.8 0.0 1.7
assign (residue 18 and name HA) (residue 18 and name HB#) 1.8 0.0 3.2
assign (residue 18 and name HB#) (residue 18 and name HN) 1.8 0.0 3.2
assign (residue 19 and name HB) (residue 19 and name HG2#) 1.8 0.0 2.7
assign (residue 19 and name HB) (residue 19 and name HG1#) 1.8 0.0 2.7
assign (residue 19 and name HB) (residue 19 and name HN) 1.8 0.0 1.7
assign (residue 20 and name HA) (residue 20 and name HB#) 1.8 0.0 2.7
assign (residue 20 and name HB#) (residue 20 and name HN) 1.8 0.0 2.7
assign (residue 21 and name HA) (residue 21 and name HD2#) 1.8 0.0 2.7
assign (residue 22 and name HA) (residue 22 and name HN) 1.8 0.0 1.7
assign (residue 23 and name HB) (residue 23 and name HD1#) 1.8 0.0 2.7
assign (residue 23 and name HB) (residue 23 and name HG2#) 1.8 0.0 2.7
assign (residue 23 and name HG11) (residue 23 and name HD1#) 1.8 0.0 2.7
assign (residue 23 and name HG11) (residue 23 and name HG2#) 1.8 0.0 2.7
assign (residue 24 and name HB1) (residue 24 and name HN) 1.8 0.0 1.7
assign (residue 25 and name HB1) (residue 25 and name HB2) 1.8 0.0 1.2
assign (residue 26 and name HG) (residue 26 and name HD1#) 1.8 0.0 2.7
assign (residue 27 and name HA) (residue 27 and name HB#) 1.8 0.0 2.7
assign (residue 27 and name HB#) (residue 27 and name HN) 1.8 0.0 2.7
assign (residue 28 and name HA) (residue 28 and name HG1) 1.8 0.0 2.2
assign (residue 28 and name HB#) (residue 28 and name HN) 1.8 0.0 2.7
assign (residue 29 and name HA2) (residue 29 and name HA1) 1.8 0.0 0.7
assign (residue 30 and name HA2) (residue 30 and name HA1) 1.8 0.0 0.7
assign (residue 31 and name HD1) (residue 31 and name HD2) 1.8 0.0 0.7
assign (residue 34 and name HA1) (residue 34 and name HA2) 1.8 0.0 0.7
assign (residue 35 and name HA) (residue 35 and name HB#) 1.8 0.0 1.7
assign (residue 35 and name HG2) (residue 35 and name HN) 1.8 0.0 3.2
assign (residue 36 and name HD1) (residue 36 and name HD2) 1.8 0.0 0.7
assign (residue 36 and name HD1) (residue 36 and name HG#) 1.8 0.0 2.2
assign (residue 36 and name HD2) (residue 36 and name HG#) 1.8 0.0 2.2
assign (residue 37 and name HB1) (residue 37 and name HB2) 1.8 0.0 0.7
assign (residue 38 and name HA) (residue 38 and name HB1) 1.8 0.0 1.7
assign (residue 38 and name HA) (residue 38 and name HB2) 1.8 0.0 1.7
assign (residue 38 and name HD1) (residue 38 and name HB2) 1.8 0.0 2.2
assign (residue 5 and name HA) (residue 5 and name HB) 1.8 0.0 1.7
assign (residue 5 and name HA) (residue 5 and name HG2#) 1.8 0.0 2.7
assign (residue 5 and name HB) (residue 5 and name HG2#) 1.8 0.0 2.7
assign (residue 6 and name HA) (residue 6 and name HB1) 1.8 0.0 1.7
assign (residue 6 and name HA) (residue 6 and name HB2) 1.8 0.0 1.7
assign (residue 6 and name HA) (residue 6 and name HD#) 1.8 0.0 2.7
assign (residue 7 and name HA) (residue 7 and name HG2#) 1.8 0.0 2.7
assign (residue 7 and name HB) (residue 7 and name HG2#) 1.8 0.0 2.7
assign (residue 8 and name HA) (residue 8 and name HB2) 1.8 0.0 1.7
assign (residue 9 and name HA) (residue 9 and name HB1) 1.8 0.0 1.7
assign (residue 9 and name HA) (residue 9 and name HB2) 1.8 0.0 1.7
assign (residue 10 and name HA) (residue 10 and name HD1#) 1.8 0.0 2.7
assign (residue 10 and name HA) (residue 10 and name HD2#) 1.8 0.0 2.7
assign (residue 10 and name HA) (residue 10 and name HN) 1.8 0.0 1.7
assign (residue 10 and name HB#) (residue 10 and name HN) 1.8 0.0 2.7
assign (residue 10 and name HD1#) (residue 10 and name HN) 1.8 0.0 2.7
assign (residue 11 and name HA) (residue 11 and name HB1) 1.8 0.0 1.7
assign (residue 11 and name HA) (residue 11 and name HB2) 1.8 0.0 1.7
assign (residue 12 and name HA) (residue 12 and name HB1) 1.8 0.0 1.7
assign (residue 12 and name HA) (residue 12 and name HB2) 1.8 0.0 1.7
assign (residue 12 and name HA) (residue 12 and name HD#) 1.8 0.0 2.7
assign (residue 12 and name HA) (residue 12 and name HG1) 1.8 0.0 2.2
assign (residue 12 and name HA) (residue 12 and name HG2) 1.8 0.0 2.2
assign (residue 12 and name HB1) (residue 12 and name HN) 1.8 0.0 1.7
assign (residue 12 and name HB2) (residue 12 and name HN) 1.8 0.0 1.7
assign (residue 12 and name HE#) (residue 12 and name HD#) 1.8 0.0 1.7
assign (residue 12 and name HE#) (residue 12 and name HG1) 1.8 0.0 2.7
assign (residue 13 and name HA) (residue 13 and name HG#) 1.8 0.0 2.7
assign (residue 13 and name HB#) (residue 13 and name HN) 1.8 0.0 2.7
assign (residue 13 and name HG#) (residue 13 and name HE21) 1.8 0.0 2.7
assign (residue 13 and name HG#) (residue 13 and name HN) 1.8 0.0 2.7
assign (residue 14 and name HA) (residue 14 and name HG1) 1.8 0.0 2.2
assign (residue 14 and name HA) (residue 14 and name HG2) 1.8 0.0 2.2
assign (residue 14 and name HA) (residue 14 and name HN) 1.8 0.0 1.7
assign (residue 14 and name HG1) (residue 14 and name HN) 1.8 0.0 2.5
assign (residue 14 and name HG2) (residue 14 and name HN) 1.8 0.0 2.5
assign (residue 15 and name HA) (residue 15 and name HB#) 1.8 0.0 2.7
assign (residue 15 and name HA) (residue 15 and name HG1) 1.8 0.0 2.7
assign (residue 15 and name HA) (residue 15 and name HN) 1.8 0.0 1.7
assign (residue 15 and name HG1) (residue 15 and name HN) 1.8 0.0 2.7
assign (residue 15 and name HG2) (residue 15 and name HN) 1.8 0.0 2.7
assign (residue 16 and name HA) (residue 16 and name HG1) 1.8 0.0 1.7
assign (residue 16 and name HA) (residue 16 and name HG2) 1.8 0.0 1.7
assign (residue 16 and name HB#) (residue 16 and name HN) 1.8 0.0 2.2
assign (residue 16 and name HG1) (residue 16 and name HN) 1.8 0.0 2.5
assign (residue 16 and name HG2) (residue 16 and name HN) 1.8 0.0 2.5
assign (residue 17 and name HA) (residue 17 and name HG1) 1.8 0.0 1.7
assign (residue 17 and name HB2) (residue 17 and name HN) 1.8 0.0 1.7
assign (residue 18 and name HA) (residue 18 and name HN) 1.8 0.0 1.7
assign (residue 19 and name HA) (residue 19 and name HB) 1.8 0.0 1.7
assign (residue 19 and name HA) (residue 19 and name HG2#) 1.8 0.0 2.7
assign (residue 19 and name HA) (residue 19 and name HG1#) 1.8 0.0 2.7
assign (residue 19 and name HA) (residue 19 and name HN) 1.8 0.0 1.7
assign (residue 19 and name HG2#) (residue 19 and name HN) 1.8 0.0 2.7
assign (residue 19 and name HG1#) (residue 19 and name HN) 1.8 0.0 2.7
assign (residue 20 and name HA) (residue 20 and name HG1) 1.8 0.0 2.2
assign (residue 20 and name HA) (residue 20 and name HG2) 1.8 0.0 2.2
assign (residue 20 and name HA) (residue 20 and name HN) 1.8 0.0 1.7
assign (residue 20 and name HD1) (residue 20 and name HB#) 1.8 0.0 2.7
assign (residue 20 and name HD1) (residue 20 and name HG1) 1.8 0.0 1.7
assign (residue 20 and name HD1) (residue 20 and name HG2) 1.8 0.0 1.7
assign (residue 20 and name HD2) (residue 20 and name HB#) 1.8 0.0 2.7
assign (residue 20 and name HD2) (residue 20 and name HG1) 1.8 0.0 1.7
assign (residue 20 and name HD2) (residue 20 and name HG2) 1.8 0.0 1.7
assign (residue 20 and name HG1) (residue 20 and name HN) 1.8 0.0 1.7
assign (residue 20 and name HG2) (residue 20 and name HN) 1.8 0.0 1.7
assign (residue 21 and name HA) (residue 21 and name HB1) 1.8 0.0 1.7
assign (residue 21 and name HA) (residue 21 and name HD1#) 1.8 0.0 3.2
assign (residue 21 and name HA) (residue 21 and name HG) 1.8 0.0 2.5
assign (residue 21 and name HA) (residue 21 and name HN) 1.8 0.0 1.7
assign (residue 21 and name HB2) (residue 21 and name HN) 1.8 0.0 1.7
assign (residue 21 and name HD1#) (residue 21 and name HN) 1.8 0.0 2.7
assign (residue 21 and name HD2#) (residue 21 and name HN) 1.8 0.0 2.7
assign (residue 21 and name HG) (residue 21 and name HN) 1.8 0.0 1.7
assign (residue 22 and name HA) (residue 22 and name HB1) 1.8 0.0 1.7
assign (residue 22 and name HA) (residue 22 and name HB2) 1.8 0.0 1.7
assign (residue 22 and name HA) (residue 22 and name HD#) 1.8 0.0 2.7
assign (residue 22 and name HA) (residue 22 and name HE#) 1.8 0.0 3.2
assign (residue 22 and name HB1) (residue 22 and name HD#) 1.8 0.0 2.7
assign (residue 22 and name HB1) (residue 22 and name HE#) 1.8 0.0 2.5
assign (residue 22 and name HB1) (residue 22 and name HN) 1.8 0.0 1.7
assign (residue 22 and name HB2) (residue 22 and name HD#) 1.8 0.0 2.7
assign (residue 22 and name HB2) (residue 22 and name HE#) 1.8 0.0 2.7
assign (residue 22 and name HB2) (residue 22 and name HN) 1.8 0.0 1.7
assign (residue 22 and name HD#) (residue 22 and name HN) 1.8 0.0 2.2
assign (residue 22 and name HE#) (residue 22 and name HN) 1.8 0.0 4.2
assign (residue 23 and name HA) (residue 23 and name HB) 1.8 0.0 1.7
assign (residue 23 and name HA) (residue 23 and name HD1#) 1.8 0.0 2.7
assign (residue 23 and name HA) (residue 23 and name HG12) 1.8 0.0 2.5
assign (residue 23 and name HA) (residue 23 and name HG2#) 1.8 0.0 2.5
assign (residue 23 and name HA) (residue 23 and name HN) 1.8 0.0 1.7
assign (residue 23 and name HB) (residue 23 and name HN) 1.8 0.0 1.7
assign (residue 23 and name HG11) (residue 23 and name HN) 1.8 0.0 2.2
assign (residue 23 and name HG12) (residue 23 and name HN) 1.8 0.0 2.2
assign (residue 24 and name HA) (residue 24 and name HB1) 1.8 0.0 1.7
assign (residue 24 and name HA) (residue 24 and name HB2) 1.8 0.0 1.7
assign (residue 24 and name HA) (residue 24 and name HG#) 1.8 0.0 2.7
assign (residue 24 and name HA) (residue 24 and name HN) 1.8 0.0 1.7
assign (residue 24 and name HB2) (residue 24 and name HN) 1.8 0.0 1.7
assign (residue 24 and name HG#) (residue 24 and name HN) 1.8 0.0 2.7
assign (residue 25 and name HA) (residue 25 and name HB2) 1.8 0.0 1.7
assign (residue 25 and name HA) (residue 25 and name HD1) 1.8 0.0 2.2
assign (residue 25 and name HA) (residue 25 and name HE3) 1.8 0.0 3.2
assign (residue 25 and name HA) (residue 25 and name HN) 1.8 0.0 1.7
assign (residue 25 and name HB1) (residue 25 and name HD1) 1.8 0.0 2.2
assign (residue 25 and name HB1) (residue 25 and name HE3) 1.8 0.0 2.2
assign (residue 25 and name HB1) (residue 25 and name HN) 1.8 0.0 1.7
assign (residue 25 and name HB2) (residue 25 and name HD1) 1.8 0.0 2.2
assign (residue 25 and name HB2) (residue 25 and name HE3) 1.8 0.0 2.2
assign (residue 25 and name HB2) (residue 25 and name HN) 1.8 0.0 1.7
assign (residue 25 and name HD1) (residue 25 and name HE1) 1.8 0.0 1.7
assign (residue 25 and name HZ2) (residue 25 and name HE1) 1.8 0.0 1.7
assign (residue 26 and name HA) (residue 26 and name HB1) 1.8 0.0 1.7
assign (residue 26 and name HA) (residue 26 and name HB2) 1.8 0.0 1.7
assign (residue 26 and name HA) (residue 26 and name HD1#) 1.8 0.0 2.7
assign (residue 26 and name HA) (residue 26 and name HD2#) 1.8 0.0 2.7
assign (residue 26 and name HA) (residue 26 and name HG) 1.8 0.0 2.2
assign (residue 26 and name HA) (residue 26 and name HN) 1.8 0.0 1.7
assign (residue 26 and name HB1) (residue 26 and name HD1#) 1.8 0.0 2.7
assign (residue 26 and name HB1) (residue 26 and name HD2#) 1.8 0.0 2.7
assign (residue 26 and name HB1) (residue 26 and name HN) 1.8 0.0 1.7
assign (residue 26 and name HB2) (residue 26 and name HN) 1.8 0.0 1.7
assign (residue 26 and name HD1#) (residue 26 and name HN) 1.8 0.0 2.7
assign (residue 26 and name HD2#) (residue 26 and name HN) 1.8 0.0 2.7
assign (residue 26 and name HG) (residue 26 and name HD2#) 1.8 0.0 2.7
assign (residue 26 and name HG) (residue 26 and name HN) 1.8 0.0 2.5
assign (residue 27 and name HA) (residue 27 and name HD#) 1.8 0.0 2.7
assign (residue 27 and name HA) (residue 27 and name HG#) 1.8 0.0 2.7
assign (residue 27 and name HA) (residue 27 and name HN) 1.8 0.0 1.7
assign (residue 27 and name HD#) (residue 27 and name HN) 1.8 0.0 2.7
assign (residue 27 and name HE#) (residue 27 and name HG#) 1.8 0.0 2.7
assign (residue 28 and name HA) (residue 28 and name HG2) 1.8 0.0 2.2
assign (residue 28 and name HA) (residue 28 and name HN) 1.8 0.0 1.7
assign (residue 28 and name HG2) (residue 28 and name HN) 1.8 0.0 2.2
assign (residue 28 and name HG1) (residue 28 and name HN) 1.8 0.0 2.2
assign (residue 29 and name HA2) (residue 29 and name HN) 1.8 0.0 1.7
assign (residue 29 and name HA1) (residue 29 and name HN) 1.8 0.0 1.7
assign (residue 30 and name HA2) (residue 30 and name HN) 1.8 0.0 1.7
assign (residue 30 and name HA1) (residue 30 and name HN) 1.8 0.0 1.7
assign (residue 31 and name HA) (residue 31 and name HB1) 1.8 0.0 1.7
assign (residue 31 and name HA) (residue 31 and name HB2) 1.8 0.0 1.7
assign (residue 31 and name HA) (residue 31 and name HG#) 1.8 0.0 2.7
assign (residue 31 and name HD1) (residue 31 and name HB1) 1.8 0.0 1.7
assign (residue 31 and name HD1) (residue 31 and name HB2) 1.8 0.0 2.7
assign (residue 31 and name HD1) (residue 31 and name HG#) 1.8 0.0 2.7
assign (residue 31 and name HD2) (residue 31 and name HB1) 1.8 0.0 2.7
assign (residue 31 and name HD2) (residue 31 and name HG#) 1.8 0.0 2.7
assign (residue 32 and name HA) (residue 32 and name HB#) 1.8 0.0 1.7
assign (residue 33 and name HA) (residue 33 and name HB1) 1.8 0.0 1.7
assign (residue 33 and name HA) (residue 33 and name HB2) 1.8 0.0 1.7
assign (residue 33 and name HB1) (residue 33 and name HB2) 1.8 0.0 1.7
assign (residue 33 and name HB1) (residue 33 and name HN) 1.8 0.0 1.7
assign (residue 34 and name HA2) (residue 34 and name HN) 1.8 0.0 1.7
assign (residue 35 and name HA) (residue 35 and name HD#) 1.8 0.0 2.7
assign (residue 35 and name HA) (residue 35 and name HG1) 1.8 0.0 2.2
assign (residue 35 and name HA) (residue 35 and name HG2) 1.8 0.0 2.2
assign (residue 35 and name HA) (residue 35 and name HN) 1.8 0.0 1.7
assign (residue 35 and name HB#) (residue 35 and name HN) 1.8 0.0 2.7
assign (residue 35 and name HD#) (residue 35 and name HB#) 1.8 0.0 2.7
assign (residue 35 and name HD#) (residue 35 and name HG1) 1.8 0.0 1.7
assign (residue 35 and name HD#) (residue 35 and name HG2) 1.8 0.0 1.7
assign (residue 36 and name HA) (residue 36 and name HB1) 1.8 0.0 1.7
assign (residue 36 and name HA) (residue 36 and name HB2) 1.8 0.0 1.7
assign (residue 36 and name HA) (residue 36 and name HG#) 1.8 0.0 2.7
assign (residue 36 and name HD1) (residue 36 and name HB1) 1.8 0.0 2.7
assign (residue 36 and name HD1) (residue 36 and name HB2) 1.8 0.0 2.7
assign (residue 36 and name HD2) (residue 36 and name HB1) 1.8 0.0 2.7
assign (residue 36 and name HD2) (residue 36 and name HB2) 1.8 0.0 2.7
assign (residue 37 and name HA) (residue 37 and name HB1) 1.8 0.0 1.7
assign (residue 37 and name HA) (residue 37 and name HB2) 1.8 0.0 1.7
assign (residue 37 and name HA) (residue 37 and name HG2) 1.8 0.0 2.7
assign (residue 37 and name HD#) (residue 37 and name HB1) 1.8 0.0 2.7
assign (residue 37 and name HD#) (residue 37 and name HB2) 1.8 0.0 2.7
assign (residue 37 and name HD#) (residue 37 and name HG1) 1.8 0.0 2.7
assign (residue 37 and name HD#) (residue 37 and name HG2) 1.8 0.0 2.7
assign (residue 37 and name HG1) (residue 37 and name HB2) 1.8 0.0 2.7
assign (residue 37 and name HG2) (residue 37 and name HB2) 1.8 0.0 1.7
assign (residue 38 and name HA) (residue 38 and name HG2) 1.8 0.0 2.7
assign (residue 38 and name HD1) (residue 38 and name HB1) 1.8 0.0 1.7
assign (residue 38 and name HD1) (residue 38 and name HG1) 1.8 0.0 1.7
assign (residue 38 and name HD1) (residue 38 and name HG2) 1.8 0.0 1.7
assign (residue 38 and name HD2) (residue 38 and name HB1) 1.8 0.0 2.7
assign (residue 38 and name HD2) (residue 38 and name HG1) 1.8 0.0 1.7
assign (residue 38 and name HD2) (residue 38 and name HG2) 1.8 0.0 1.7
assign (residue 39 and name HA) (residue 39 and name HN) 1.8 0.0 1.7
assign (residue 39 and name HB#) (residue 39 and name HN) 1.8 0.0 2.7
assign (residue 10 and name HD2#) (residue 10 and name HN) 1.8 0.0 3.2
assign (residue 11 and name HB1) (residue 11 and name HN) 1.8 0.0 3.2
assign (residue 11 and name HB2) (residue 11 and name HN) 1.8 0.0 3.2
assign (residue 12 and name HA) (residue 12 and name HE#) 1.8 0.0 3.2
assign (residue 12 and name HE#) (residue 12 and name HG2) 1.8 0.0 3.2
assign (residue 12 and name HG1) (residue 12 and name HN) 1.8 0.0 3.2
assign (residue 12 and name HG2) (residue 12 and name HN) 1.8 0.0 3.2
assign (residue 15 and name HA) (residue 15 and name HG2) 1.8 0.0 3.2
assign (residue 16 and name HA) (residue 16 and name HN) 1.8 0.0 3.2
assign (residue 20 and name HA) (residue 20 and name HD1) 1.8 0.0 3.2
assign (residue 20 and name HA) (residue 20 and name HD2) 1.8 0.0 3.2
assign (residue 25 and name HB1) (residue 25 and name HE1) 1.8 0.0 4.2
assign (residue 23 and name HG2#) (residue 23 and name HN) 1.8 0.0 3.2
assign (residue 24 and name HG#) (residue 24 and name HE21) 1.8 0.0 3.2
assign (residue 24 and name HG#) (residue 24 and name HE22) 1.8 0.0 3.2
assign (residue 25 and name HA) (residue 25 and name HE1) 1.8 0.0 3.2
assign (residue 25 and name HB1) (residue 25 and name HE1) 1.8 0.0 3.5
assign (residue 25 and name HB1) (residue 25 and name HZ3) 1.8 0.0 3.5
assign (residue 25 and name HD1) (residue 25 and name HN) 1.8 0.0 3.2
assign (residue 25 and name HE3) (residue 25 and name HN) 1.8 0.0 3.2
assign (residue 27 and name HA) (residue 27 and name HE#) 1.8 0.0 3.2
assign (residue 31 and name HA) (residue 31 and name HD2) 1.8 0.0 3.2
assign (residue 32 and name HA) (residue 32 and name HN) 1.8 0.0 3.2
assign (residue 32 and name HB#) (residue 32 and name HN) 1.8 0.0 3.2
assign (residue 33 and name HB2) (residue 33 and name HN) 1.8 0.0 3.2
assign (residue 34 and name HA1) (residue 34 and name HN) 1.8 0.0 3.2
assign (residue 35 and name HD#) (residue 35 and name HN) 1.8 0.0 3.2
assign (residue 35 and name HG1) (residue 35 and name HN) 1.8 0.0 3.2
assign (residue 37 and name HD#) (residue 37 and name HA) 1.8 0.0 3.2
assign (residue 38 and name HA) (residue 38 and name HD1) 1.8 0.0 3.2
assign (residue 38 and name HA) (residue 38 and name HD2) 1.8 0.0 3.2
assign (residue 38 and name HA) (residue 38 and name HG1) 1.8 0.0 3.2
assign (residue 38 and name HD2) (residue 38 and name HB2) 1.8 0.0 3.2
assign (residue 5 and name HA) (residue 5 and name HN) 1.8 0.0 2.2
assign (residue 5 and name HG2#) (residue 5 and name HN) 1.8 0.0 3.2
assign (residue 7 and name HB) (residue 7 and name HN) 1.8 0.0 2.7
assign (residue 8 and name HA) (residue 8 and name HB1) 1.8 0.0 2.2
assign (residue 8 and name HB1) (residue 8 and name HN) 1.8 0.0 2.2
assign (residue 11 and name HA) (residue 11 and name HN) 1.8 0.0 1.7
assign (residue 12 and name HE#) (residue 12 and name HB2) 1.8 0.0 4.2
assign (residue 17 and name HA) (residue 17 and name HG2) 1.8 0.0 3.2
assign (residue 21 and name HB1) (residue 21 and name HN) 1.8 0.0 2.2
assign (residue 23 and name HA) (residue 23 and name HG11) 1.8 0.0 3.2
assign (residue 27 and name HE#) (residue 27 and name HB#) 1.8 0.0 2.7
assign (residue 27 and name HE#) (residue 27 and name HD#) 1.8 0.0 1.7
assign (residue 33 and name HA) (residue 33 and name HN) 1.8 0.0 1.7

!i,i+1
assign (residue 3 and name HA) (residue 4 and name HN) 1.8 0.0 3.2
assign (residue 5 and name HA) (residue 6 and name HN) 1.8 0.0 3.2
assign (residue 5 and name HB) (residue 6 and name HE#) 1.8 0.0 4.7
assign (residue 6 and name HB2) (residue 7 and name HG#) 1.8 0.0 4.2
assign (residue 6 and name HB2) (residue 7 and name HB) 1.8 0.0 4.2
assign (residue 6 and name HE#) (residue 7 and name HA) 1.8 0.0 4.7
assign (residue 6 and name HD#) (residue 7 and name HG2#) 1.8 0.0 4.7
assign (residue 8 and name HA) (residue 7 and name HA) 1.8 0.0 3.7
assign (residue 8 and name HA) (residue 7 and name HG2#) 1.8 0.0 4.2
assign (residue 8 and name HA) (residue 9 and name HN) 1.8 0.0 3.2
assign (residue 9 and name HA) (residue 10 and name HB#) 1.8 0.0 3.2
assign (residue 9 and name HB1) (residue 10 and name HN) 1.8 0.0 3.2
assign (residue 9 and name HB2) (residue 10 and name HN) 1.8 0.0 3.2
assign (residue 9 and name HA) (residue 10 and name HN) 1.8 0.0 1.7
assign (residue 10 and name HD2#) (residue 11 and name HB2) 1.8 0.0 4.2
assign (residue 11 and name HB1) (residue 10 and name HD1#) 1.8 0.0 2.7
assign (residue 11 and name HB2) (residue 12 and name HN) 1.8 0.0 2.7
assign (residue 11 and name HA) (residue 12 and name HN) 1.8 0.0 4.2
assign (residue 11 and name HA) (residue 12 and name HB2) 1.8 0.0 4.2
assign (residue 11 and name HB1) (residue 12 and name HN) 1.8 0.0 3.2
assign (residue 11 and name HB2) (residue 12 and name HD1#) 1.8 0.0 3.2
assign (residue 12 and name HB2) (residue 13 and name HN) 1.8 0.0 3.2
assign (residue 12 and name HB1) (residue 13 and name HN) 1.8 0.0 2.5
assign (residue 12 and name HG1) (residue 13 and name HN) 1.8 0.0 2.7
assign (residue 13 and name HB#) (residue 12 and name HN) 1.8 0.0 2.5
assign (residue 13 and name HB#) (residue 12 and name HB1) 1.8 0.0 3.7
assign (residue 13 and name HB#) (residue 12 and name HB2) 1.8 0.0 3.7
assign (residue 13 and name HA) (residue 14 and name HN) 1.8 0.0 1.7
assign (residue 13 and name HG#) (residue 14 and name HN) 1.8 0.0 3.5
assign (residue 14 and name HA) (residue 15 and name HN) 1.8 0.0 1.7
assign (residue 14 and name HA) (residue 15 and name HA) 1.8 0.0 3.2
assign (residue 14 and name HG1) (residue 15 and name HN) 1.8 0.0 3.5
assign (residue 14 and name HG2) (residue 15 and name HN) 1.8 0.0 3.5
assign (residue 14 and name HN) (residue 15 and name HN) 1.8 0.0 3.2
assign (residue 15 and name HA) (residue 16 and name HN) 1.8 0.0 3.2
assign (residue 16 and name HA) (residue 17 and name HN) 1.8 0.0 3.2
assign (residue 16 and name HG1) (residue 17 and name HN) 1.8 0.0 3.2
assign (residue 17 and name HA) (residue 18 and name HB#) 1.8 0.0 2.5
assign (residue 17 and name HB1) (residue 18 and name HN) 1.8 0.0 2.7
assign (residue 17 and name HG1) (residue 18 and name HN) 1.8 0.0 2.7
assign (residue 17 and name HG2) (residue 18 and name HN) 1.8 0.0 2.7
assign (residue 18 and name HB#) (residue 17 and name HN) 1.8 0.0 2.7
assign (residue 17 and name HA) (residue 18 and name HN) 1.8 0.0 4.2
assign (residue 17 and name HB2) (residue 18 and name HN) 1.8 0.0 4.2
assign (residue 18 and name HN) (residue 17 and name HN) 1.8 0.0 1.7
assign (residue 18 and name HB#) (residue 19 and name HG2#) 1.8 0.0 3.7
assign (residue 18 and name HB#) (residue 19 and name HG1#) 1.8 0.0 4.7
assign (residue 18 and name HB#) (residue 19 and name HN) 1.8 0.0 2.7
assign (residue 19 and name HA) (residue 18 and name HB#) 1.8 0.0 2.7
assign (residue 19 and name HG2#) (residue 18 and name HN) 1.8 0.0 2.7
assign (residue 19 and name HG1#) (residue 18 and name HN) 1.8 0.0 4.2
assign (residue 18 and name HA) (residue 19 and name HN) 1.8 0.0 1.7
assign (residue 19 and name HA) (residue 20 and name HN) 1.8 0.0 1.7
assign (residue 19 and name HG2#) (residue 20 and name HN) 1.8 0.0 2.7
assign (residue 19 and name HG1#) (residue 20 and name HN) 1.8 0.0 2.7
assign (residue 19 and name HB) (residue 20 and name HN) 1.8 0.0 4.2
assign (residue 20 and name HA) (residue 19 and name HG2#) 1.8 0.0 4.2
assign (residue 20 and name HA) (residue 19 and name HG1#) 1.8 0.0 3.7
assign (residue 19 and name HA) (residue 20 and name HA) 1.8 0.0 3.5
assign (residue 19 and name HG1#) (residue 20 and name HD1) 1.8 0.0 4.2
assign (residue 21 and name HG) (residue 20 and name HN) 1.8 0.0 3.2
assign (residue 20 and name HB#) (residue 21 and name HN) 1.8 0.0 2.7
assign (residue 20 and name HG2) (residue 21 and name HN) 1.8 0.0 3.2
assign (residue 20 and name HN) (residue 21 and name HN) 1.8 0.0 1.7
assign (residue 20 and name HA) (residue 21 and name HN) 1.8 0.0 3.2
assign (residue 20 and name HG1) (residue 21 and name HN) 1.8 0.0 4.2
assign (residue 21 and name HB2) (residue 20 and name HN) 1.8 0.0 3.2
assign (residue 21 and name HD2#) (residue 20 and name HN) 1.8 0.0 3.2
assign (residue 23 and name HD1#) (residue 22 and name HE#) 1.8 0.0 3.7
assign (residue 22 and name HA) (residue 23 and name HN) 1.8 0.0 1.7
assign (residue 22 and name HB1) (residue 23 and name HD1#) 1.8 0.0 3.7
assign (residue 22 and name HB1) (residue 23 and name HN) 1.8 0.0 1.7
assign (residue 22 and name HB2) (residue 23 and name HG2#) 1.8 0.0 4.7
assign (residue 22 and name HB2) (residue 23 and name HN) 1.8 0.0 2.2
assign (residue 22 and name HN) (residue 23 and name HN) 1.8 0.0 1.7
assign (residue 23 and name HD1#) (residue 22 and name HD#) 1.8 0.0 3.2
assign (residue 22 and name HB1) (residue 23 and name HG2#) 1.8 0.0 4.2
assign (residue 22 and name HB2) (residue 23 and name HD1#) 1.8 0.0 3.7
assign (residue 22 and name HD#) (residue 23 and name HN) 1.8 0.0 3.7
assign (residue 22 and name HE#) (residue 23 and name HN) 1.8 0.0 4.2
assign (residue 22 and name HB1) (residue 23 and name HG11) 1.8 0.0 3.7
assign (residue 23 and name HA) (residue 22 and name HD#) 1.8 0.0 3.2
assign (residue 23 and name HG11) (residue 22 and name HD#) 1.8 0.0 4.2
assign (residue 23 and name HG11) (residue 22 and name HE#) 1.8 0.0 5.2
assign (residue 23 and name HA) (residue 22 and name HE#) 1.8 0.0 3.7
assign (residue 23 and name HB) (residue 22 and name HD#) 1.8 0.0 4.2
assign (residue 23 and name HB) (residue 22 and name HE#) 1.8 0.0 4.7
assign (residue 23 and name HA) (residue 24 and name HN) 1.8 0.0 1.7
assign (residue 23 and name HB) (residue 24 and name HN) 1.8 0.0 2.7
assign (residue 23 and name HD1#) (residue 24 and name HN) 1.8 0.0 3.7
assign (residue 23 and name HG2#) (residue 24 and name HN) 1.8 0.0 2.7
assign (residue 23 and name HG11) (residue 24 and name HN) 1.8 0.0 3.2
assign (residue 23 and name HG12) (residue 24 and name HN) 1.8 0.0 4.7
assign (residue 24 and name HB1) (residue 23 and name HN) 1.8 0.0 4.2
assign (residue 24 and name HB2) (residue 23 and name HN) 1.8 0.0 4.2
assign (residue 24 and name HB2) (residue 23 and name HG2#) 1.8 0.0 3.7
assign (residue 24 and name HN) (residue 23 and name HN) 1.8 0.0 1.7
assign (residue 24 and name HA) (residue 23 and name HA) 1.8 0.0 3.2
assign (residue 24 and name HB2) (residue 25 and name HN) 1.8 0.0 2.2
assign (residue 24 and name HA) (residue 25 and name HB2) 1.8 0.0 4.2
assign (residue 24 and name HA) (residue 25 and name HN) 1.8 0.0 3.2
assign (residue 24 and name HG#) (residue 25 and name HN) 1.8 0.0 3.2
assign (residue 24 and name HB1) (residue 25 and name HN) 1.8 0.0 3.2
assign (residue 25 and name HB2) (residue 24 and name HN) 1.8 0.0 3.2
assign (residue 25 and name HA) (residue 26 and name HN) 1.8 0.0 1.7
assign (residue 25 and name HB1) (residue 26 and name HN) 1.8 0.0 2.2
assign (residue 25 and name HB2) (residue 26 and name HN) 1.8 0.0 2.2
assign (residue 25 and name HE3) (residue 26 and name HN) 1.8 0.0 2.7
assign (residue 25 and name HN) (residue 26 and name HN) 1.8 0.0 1.7
assign (residue 26 and name HA) (residue 25 and name HE3) 1.8 0.0 1.7
assign (residue 26 and name HB1) (residue 25 and name HE3) 1.8 0.0 2.7
assign (residue 26 and name HD1#) (residue 25 and name HE3) 1.8 0.0 3.2
assign (residue 26 and name HD2#) (residue 25 and name HE3) 1.8 0.0 2.5
assign (residue 26 and name HD2#) (residue 25 and name HZ3) 1.8 0.0 2.5
assign (residue 26 and name HG) (residue 25 and name HE3) 1.8 0.0 1.7
assign (residue 26 and name HG) (residue 25 and name HZ3) 1.8 0.0 1.7
assign (residue 26 and name HA) (residue 25 and name HZ3) 1.8 0.0 3.2
assign (residue 26 and name HB2) (residue 25 and name HE3) 1.8 0.0 3.2
assign (residue 26 and name HD1#) (residue 25 and name HZ3) 1.8 0.0 3.7
assign (residue 26 and name HD2#) (residue 25 and name HH2) 1.8 0.0 3.2
assign (residue 26 and name HD2#) (residue 25 and name HZ2) 1.8 0.0 4.7
assign (residue 26 and name HD2#) (residue 25 and name HD1) 1.8 0.0 4.7
assign (residue 26 and name HB2) (residue 27 and name HN) 1.8 0.0 2.7
assign (residue 26 and name HA) (residue 27 and name HN) 1.8 0.0 3.2
assign (residue 26 and name HD2#) (residue 27 and name HN) 1.8 0.0 4.2
assign (residue 26 and name HG) (residue 27 and name HN) 1.8 0.0 3.2
assign (residue 27 and name HA) (residue 26 and name HA) 1.8 0.0 3.2
assign (residue 27 and name HA) (residue 26 and name HN) 1.8 0.0 3.2
assign (residue 26 and name HD1#) (residue 27 and name HG#) 1.8 0.0 4.7
assign (residue 27 and name HA) (residue 28 and name HN) 1.8 0.0 1.7
assign (residue 28 and name HN) (residue 27 and name HN) 1.8 0.0 1.7
assign (residue 28 and name HN) (residue 29 and name HN) 1.8 0.0 1.7
assign (residue 28 and name HA) (residue 29 and name HN) 1.8 0.0 1.7
assign (residue 28 and name HB#) (residue 29 and name HN) 1.8 0.0 2.7
assign (residue 28 and name HG1) (residue 29 and name HN) 1.8 0.0 3.2
assign (residue 28 and name HG2) (residue 29 and name HN) 1.8 0.0 4.2
assign (residue 29 and name HN) (residue 30 and name HN) 1.8 0.0 0.7
assign (residue 30 and name HA2) (residue 31 and name HG#) 1.8 0.0 3.2
assign (residue 31 and name HD1) (residue 30 and name HA2) 1.8 0.0 2.0
assign (residue 31 and name HD1) (residue 30 and name HA1) 1.8 0.0 1.7
assign (residue 31 and name HD1) (residue 30 and name HN) 1.8 0.0 3.2
assign (residue 31 and name HD2) (residue 30 and name HA2) 1.8 0.0 2.0
assign (residue 31 and name HD2) (residue 30 and name HA1) 1.8 0.0 1.7
assign (residue 31 and name HD1) (residue 30 and name HN) 1.8 0.0 3.2
assign (residue 32 and name HA) (residue 31 and name HG#) 1.8 0.0 3.7
assign (residue 32 and name HA) (residue 31 and name HB2) 1.8 0.0 3.7
assign (residue 32 and name HN) (residue 31 and name HA) 1.8 0.0 3.7
assign (residue 32 and name HA) (residue 33 and name HN) 1.8 0.0 3.2
assign (residue 32 and name HA) (residue 33 and name HA) 1.8 0.0 3.7
assign (residue 33 and name HN) (residue 34 and name HA2) 1.8 0.0 3.7
assign (residue 33 and name HB1) (residue 34 and name HN) 1.8 0.0 3.7
assign (residue 34 and name HA2) (residue 35 and name HN) 1.8 0.0 1.7
assign (residue 34 and name HN) (residue 35 and name HN) 1.8 0.0 1.7
assign (residue 35 and name HA) (residue 36 and name HD1) 1.8 0.0 3.2
assign (residue 35 and name HA) (residue 36 and name HD2) 1.8 0.0 3.2
assign (residue 35 and name HA) (residue 36 and name HG#) 1.8 0.0 3.2
assign (residue 36 and name HD2) (residue 35 and name HB#) 1.8 0.0 2.7
assign (residue 36 and name HD1) (residue 35 and name HG1) 1.8 0.0 3.5
assign (residue 36 and name HD1) (residue 35 and name HG2) 1.8 0.0 3.5
assign (residue 36 and name HD2) (residue 35 and name HG1) 1.8 0.0 3.2
assign (residue 36 and name HD2) (residue 35 and name HG2) 1.8 0.0 3.2
assign (residue 36 and name HD2) (residue 35 and name HN) 1.8 0.0 3.2
assign (residue 36 and name HD1) (residue 35 and name HB#) 1.8 0.0 3.2
assign (residue 36 and name HD2) (residue 37 and name HD#) 1.8 0.0 3.2
assign (residue 36 and name HA) (residue 37 and name HG1) 1.8 0.0 3.2
assign (residue 36 and name HA) (residue 37 and name HG2) 1.8 0.0 3.2
assign (residue 37 and name HD#) (residue 36 and name HB2) 1.8 0.0 2.2
assign (residue 36 and name HD1) (residue 37 and name HD#) 1.8 0.0 4.2
assign (residue 37 and name HD#) (residue 36 and name HB1) 1.8 0.0 2.7
assign (residue 37 and name HD#) (residue 36 and name HG#) 1.8 0.0 2.7
assign (residue 36 and name HA) (residue 37 and name HD#) 1.8 0.0 2.7
assign (residue 37 and name HA) (residue 38 and name HG2) 1.8 0.0 3.2
assign (residue 37 and name HA) (residue 38 and name HG1) 1.8 0.0 3.2
assign (residue 38 and name HD1) (residue 37 and name HB1) 1.8 0.0 3.2
assign (residue 38 and name HD1) (residue 37 and name HB2) 1.8 0.0 3.7
assign (residue 38 and name HD1) (residue 37 and name HA) 1.8 0.0 1.2
assign (residue 38 and name HD2) (residue 37 and name HA) 1.8 0.0 1.2
assign (residue 38 and name HD2) (residue 37 and name HB1) 1.8 0.0 1.7
assign (residue 38 and name HD2) (residue 37 and name HB2) 1.8 0.0 1.7
assign (residue 38 and name HB1) (residue 39 and name HN) 1.8 0.0 2.7
assign (residue 38 and name HB2) (residue 39 and name HN) 1.8 0.0 2.7
assign (residue 38 and name HG1) (residue 39 and name HN) 1.8 0.0 3.7
assign (residue 38 and name HD1) (residue 39 and name HN) 1.8 0.0 3.7
assign (residue 38 and name HD2) (residue 39 and name HN) 1.8 0.0 3.7
assign (residue 38 and name HA) (residue 39 and name HN) 1.8 0.0 1.2

!i,i+2
assign (residue 8 and name HA) (residue 10 and name HN) 1.8 0.0 3.7
assign (residue 10 and name HD1#) (residue 8 and name HA) 1.8 0.0 4.2
assign (residue 10 and name HB#) (residue 8 and name HN) 1.8 0.0 3.7
assign (residue 10 and name HD2#) (residue 8 and name HB2) 1.8 0.0 4.7
assign (residue 19 and name HG2#) (residue 21 and name HN) 1.8 0.0 4.2
assign (residue 27 and name HA) (residue 29 and name HN) 1.8 0.0 2.7
assign (residue 11 and name HB1) (residue 13 and name HN) 1.8 0.0 4.2
assign (residue 24 and name HN) (residue 26 and name HN) 1.8 0.0 3.2
assign (residue 26 and name HN) (residue 28 and name HN) 1.8 0.0 4.2
assign (residue 28 and name HN) (residue 30 and name HN) 1.8 0.0 3.2
assign (residue 14 and name HA) (residue 16 and name HN) 1.8 0.0 4.2
assign (residue 17 and name HA) (residue 19 and name HG2#) 1.8 0.0 4.7
assign (residue 17 and name HA) (residue 19 and name HG1#) 1.8 0.0 4.7
assign (residue 16 and name HA) (residue 18 and name HN) 1.8 0.0 4.2
assign (residue 18 and name HN) (residue 16 and name HN) 1.8 0.0 3.2
assign (residue 19 and name HN) (residue 17 and name HN) 1.8 0.0 3.2
assign (residue 25 and name HN) (residue 23 and name HN) 1.8 0.0 3.2
assign (residue 29 and name HN) (residue 27 and name HN) 1.8 0.0 3.2
assign (residue 29 and name HN) (residue 31 and name HD1) 1.8 0.0 3.7
assign (residue 28 and name HB#) (residue 30 and name HN) 1.8 0.0 3.2
assign (residue 31 and name HA) (residue 33 and name HN) 1.8 0.0 3.7
assign (residue 32 and name HA) (residue 34 and name HN) 1.8 0.0 3.7
assign (residue 33 and name HB1) (residue 35 and name HD#) 1.8 0.0 3.2
assign (residue 33 and name HB2) (residue 35 and name HD#) 1.8 0.0 3.2
assign (residue 33 and name HB2) (residue 35 and name HN) 1.8 0.0 3.7
assign (residue 33 and name HB1) (residue 35 and name HN) 1.8 0.0 3.2


!i,i+3
assign (residue 7 and name HA) (residue 10 and name HD1#) 1.8 0.0 3.7
assign (residue 7 and name HB) (residue 10 and name HD1#) 1.8 0.0 3.7
assign (residue 7 and name HB) (residue 10 and name HD2#) 1.8 0.0 3.7
assign (residue 10 and name HB#) (residue 7 and name HG2#) 1.8 0.0 3.7
assign (residue 8 and name HA) (residue 11 and name HB1) 1.8 0.0 3.2
assign (residue 8 and name HA) (residue 11 and name HB2) 1.8 0.0 3.2
assign (residue 9 and name HA) (residue 12 and name HB2) 1.8 0.0 3.2 
assign (residue 9 and name HA) (residue 12 and name HB1) 1.8 0.0 3.2 
assign (residue 9 and name HA) (residue 12 and name HE#) 1.8 0.0 4.2
assign (residue 9 and name HA) (residue 12 and name HD#) 1.8 0.0 3.2
assign (residue 10 and name HA) (residue 13 and name HN) 1.8 0.0 2.7
assign (residue 10 and name HA) (residue 13 and name HG#) 1.8 0.0 3.2
assign (residue 10 and name HB#) (residue 13 and name HN) 1.8 0.0 4.2
assign (residue 10 and name HB#) (residue 13 and name HB#) 1.8 0.0 4.2
assign (residue 11 and name HA) (residue 14 and name HN) 1.8 0.0 2.7
assign (residue 11 and name HB1) (residue 14 and name HN) 1.8 0.0 3.7
assign (residue 12 and name HA) (residue 15 and name HN) 1.8 0.0 2.7
assign (residue 13 and name HA) (residue 16 and name HN) 1.8 0.0 2.7
assign (residue 13 and name HA) (residue 16 and name HA) 1.8 0.0 3.5
assign (residue 13 and name HB#) (residue 16 and name HN) 1.8 0.0 2.7
assign (residue 13 and name HA) (residue 16 and name HG1) 1.8 0.0 3.2
assign (residue 13 and name HA) (residue 16 and name HB#) 1.8 0.0 3.2 
assign (residue 14 and name HA) (residue 17 and name HN) 1.8 0.0 2.7 
assign (residue 14 and name HA) (residue 17 and name HG1) 1.8 0.0 2.5
assign (residue 14 and name HA) (residue 17 and name HB2) 1.8 0.0 3.2
assign (residue 14 and name HG1) (residue 17 and name HG1) 1.8 0.0 3.2
assign (residue 15 and name HA) (residue 18 and name HN) 1.8 0.0 2.7 
assign (residue 15 and name HA) (residue 18 and name HB#) 1.8 0.0 3.2
assign (residue 15 and name HB#) (residue 18 and name HB#) 1.8 0.0 3.5
assign (residue 15 and name HG2) (residue 18 and name HB#) 1.8 0.0 3.2
assign (residue 15 and name HG1) (residue 18 and name HB#) 1.8 0.0 3.2
assign (residue 16 and name HA) (residue 19 and name HN) 1.8 0.0 2.7
assign (residue 16 and name HA) (residue 19 and name HB) 1.8 0.0 2.7
assign (residue 16 and name HA) (residue 19 and name HG2#) 1.8 0.0 3.2
assign (residue 16 and name HG1) (residue 19 and name HG2#) 1.8 0.0 3.2
assign (residue 19 and name HG2#) (residue 16 and name HN) 1.8 0.0 3.2
assign (residue 19 and name HN) (residue 16 and name HN) 1.8 0.0 3.2
assign (residue 17 and name HA) (residue 20 and name HD1) 1.8 0.0 3.2
assign (residue 17 and name HA) (residue 20 and name HN) 1.8 0.0 2.7
assign (residue 17 and name HA) (residue 20 and name HA) 1.8 0.0 3.5
assign (residue 17 and name HA) (residue 20 and name HB#) 1.8 0.0 2.7
assign (residue 17 and name HG1) (residue 20 and name HN) 1.8 0.0 3.2
assign (residue 18 and name HA) (residue 21 and name HN) 1.8 0.0 2.7 
assign (residue 18 and name HB#) (residue 21 and name HD1#) 1.8 0.0 3.7
assign (residue 18 and name HB#) (residue 21 and name HD2#) 1.8 0.0 3.7
assign (residue 21 and name HD1#) (residue 18 and name HN) 1.8 0.0 4.2
assign (residue 18 and name HN) (residue 21 and name HN) 1.8 0.0 3.2
assign (residue 19 and name HA) (residue 22 and name HB1) 1.8 0.0 2.2
assign (residue 19 and name HA) (residue 22 and name HD#) 1.8 0.0 2.7
assign (residue 19 and name HA) (residue 22 and name HE#) 1.8 0.0 2.7
assign (residue 19 and name HA) (residue 22 and name HN) 3.0 1.0 0.50 
assign (residue 19 and name HG2#) (residue 22 and name HE#) 1.8 0.0 3.7
assign (residue 19 and name HG2#) (residue 22 and name HD#) 1.8 0.0 3.7
assign (residue 19 and name HG1#) (residue 22 and name HD#) 1.8 0.0 3.7
assign (residue 19 and name HG1#) (residue 22 and name HE#) 1.8 0.0 4.2
assign (residue 19 and name HG1#) (residue 22 and name HN) 1.8 0.0 4.2
assign (residue 22 and name HA) (residue 19 and name HA) 1.8 0.0 3.2
assign (residue 22 and name HB2) (residue 19 and name HG2#) 1.8 0.0 3.5
assign (residue 22 and name HB1) (residue 19 and name HG2#) 1.8 0.0 3.5
assign (residue 22 and name HB1) (residue 19 and name HG1#) 1.8 0.0 3.5
assign (residue 20 and name HA) (residue 23 and name HG11) 1.8 0.0 2.7
assign (residue 20 and name HA) (residue 23 and name HG2#) 1.8 0.0 2.5
assign (residue 20 and name HA) (residue 23 and name HN) 1.8 0.0 2.7
assign (residue 20 and name HA) (residue 23 and name HG12) 1.8 0.0 3.5 
assign (residue 21 and name HA) (residue 24 and name HN) 1.8 0.0 3.2
assign (residue 21 and name HA) (residue 24 and name HG#) 1.8 0.0 2.7
assign (residue 21 and name HA) (residue 24 and name HB1) 1.8 0.0 2.7
assign (residue 21 and name HA) (residue 24 and name HB2) 1.8 0.0 2.7
assign (residue 21 and name HB1) (residue 24 and name HN) 1.8 0.0 3.2
assign (residue 21 and name HG) (residue 24 and name HN) 1.8 0.0 3.7
assign (residue 24 and name HB1) (residue 21 and name HD1#) 1.8 0.0 3.7
assign (residue 24 and name HB1) (residue 21 and name HD2#) 1.8 0.0 3.7
assign (residue 24 and name HG#) (residue 21 and name HD2#) 1.8 0.0 3.7
assign (residue 24 and name HG#) (residue 21 and name HD1#) 1.8 0.0 3.5
assign (residue 24 and name HB2) (residue 21 and name HD1#) 1.8 0.0 3.7
assign (residue 24 and name HB2) (residue 21 and name HG) 1.8 0.0 3.7 
assign (residue 24 and name HN) (residue 21 and name HN) 1.8 0.0 3.2
assign (residue 22 and name HA) (residue 25 and name HB1) 1.8 0.0 2.2
assign (residue 22 and name HA) (residue 25 and name HN) 1.8 0.0 2.7 
assign (residue 22 and name HB2) (residue 25 and name HN) 1.8 0.0 3.7
assign (residue 22 and name HA) (residue 25 and name HE3) 1.8 0.0 2.2
assign (residue 25 and name HB1) (residue 22 and name HB2) 1.8 0.0 3.2
assign (residue 22 and name HE#) (residue 25 and name HH2) 1.8 0.0 3.2
assign (residue 22 and name HE#) (residue 25 and name HE3) 1.8 0.0 2.2
assign (residue 22 and name HE#) (residue 25 and name HZ3) 1.8 0.0 2.2
assign (residue 22 and name HD#) (residue 25 and name HE3) 1.8 0.0 2.7
assign (residue 22 and name HD#) (residue 25 and name HZ3) 1.8 0.0 2.7
assign (residue 22 and name HD#) (residue 25 and name HD1) 1.8 0.0 4.2
assign (residue 23 and name HA) (residue 26 and name HN) 1.8 0.0 2.7
assign (residue 23 and name HA) (residue 26 and name HB1) 1.8 0.0 1.7
assign (residue 23 and name HA) (residue 26 and name HD1#) 1.8 0.0 2.7
assign (residue 23 and name HA) (residue 26 and name HD2#) 1.8 0.0 2.7
assign (residue 23 and name HA) (residue 26 and name HG) 1.8 0.0 1.7
assign (residue 23 and name HD1#) (residue 26 and name HN) 1.8 0.0 3.7
assign (residue 23 and name HA) (residue 26 and name HA) 1.8 0.0 3.7
assign (residue 23 and name HN) (residue 26 and name HG) 1.8 0.0 4.2
assign (residue 24 and name HB2) (residue 27 and name HN) 1.8 0.0 3.2
assign (residue 24 and name HG#) (residue 27 and name HB#) 1.8 0.0 3.2
assign (residue 24 and name HB1) (residue 27 and name HN) 1.8 0.0 3.2
assign (residue 24 and name HD#) (residue 27 and name HN) 1.8 0.0 4.2
assign (residue 24 and name HN) (residue 27 and name HD#) 1.8 0.0 4.2
assign (residue 27 and name HB#) (residue 24 and name HE21) 1.8 0.0 3.2
assign (residue 25 and name HB2) (residue 28 and name HG1) 1.8 0.0 4.2
assign (residue 26 and name HA) (residue 29 and name HN) 1.8 0.0 2.7 
assign (residue 26 and name HA) (residue 29 and name HA1) 1.8 0.0 3.7
assign (residue 26 and name HD2#) (residue 29 and name HN) 1.8 0.0 3.7
assign (residue 27 and name HN) (residue 30 and name HN) 1.8 0.0 3.5
assign (residue 29 and name HA2) (residue 26 and name HD2#) 1.8 0.0 4.7
assign (residue 29 and name HA2) (residue 26 and name HD1#) 1.8 0.0 3.5
assign (residue 29 and name HA1) (residue 32 and name HB#) 1.8 0.0 3.2
assign (residue 32 and name HB#) (residue 29 and name HA1) 1.8 0.0 2.7
assign (residue 32 and name HB#) (residue 29 and name HA2) 1.8 0.0 3.2
assign (residue 33 and name HB1) (residue 30 and name HN) 1.8 0.0 3.7
assign (residue 33 and name HB2) (residue 30 and name HN) 1.8 0.0 3.7

!i,i+4
assign (residue 6 and name HD#) (residue 10 and name HD1#) 1.8 0.0 5.2
assign (residue 6 and name HD#) (residue 10 and name HD2#) 1.8 0.0 5.7
assign (residue 6 and name HE#) (residue 10 and name HD1#) 1.8 0.0 5.7
assign (residue 10 and name HB#) (residue 14 and name HN) 1.8 0.0 3.7
assign (residue 10 and name HD2#) (residue 14 and name HE#) 1.8 0.0 4.2
assign (residue 14 and name HB#) (residue 10 and name HB#) 1.8 0.0 4.2
assign (residue 14 and name HB#) (residue 10 and name HD1#) 1.8 0.0 4.2
assign (residue 14 and name HB#) (residue 10 and name HD2#) 1.8 0.0 4.2
assign (residue 14 and name HG1) (residue 10 and name HB#) 1.8 0.0 3.7
assign (residue 14 and name HG1) (residue 10 and name HD1#) 1.8 0.0 4.2
assign (residue 14 and name HG2) (residue 10 and name HB#) 1.8 0.0 4.2
assign (residue 14 and name HG2) (residue 10 and name HD1#) 1.8 0.0 4.2
assign (residue 10 and name HA) (residue 14 and name HG1) 1.8 0.0 3.2
assign (residue 10 and name HA) (residue 14 and name HG2) 1.8 0.0 3.2
assign (residue 10 and name HA) (residue 14 and name HB#) 1.8 0.0 3.2
assign (residue 12 and name HB1) (residue 16 and name HN) 1.8 0.0 3.2
assign (residue 12 and name HG2) (residue 16 and name HB#) 1.8 0.0 3.7
assign (residue 14 and name HA) (residue 18 and name HN) 1.8 0.0 4.2
assign (residue 15 and name HB#) (residue 19 and name HG1#) 1.8 0.0 3.7
assign (residue 15 and name HB#) (residue 19 and name HG2#) 1.8 0.0 3.7
assign (residue 15 and name HA) (residue 19 and name HG2#) 1.8 0.0 3.7
assign (residue 15 and name HG1) (residue 19 and name HG2#) 1.8 0.0 3.7
assign (residue 19 and name HG2#) (residue 15 and name HN) 1.8 0.0 4.5
assign (residue 17 and name HG1) (residue 21 and name HD1#) 1.8 0.0 3.5
assign (residue 17 and name HG1) (residue 21 and name HD2#) 1.8 0.0 3.5
assign (residue 17 and name HG1) (residue 21 and name HN) 1.8 0.0 3.2
assign (residue 17 and name HG2) (residue 21 and name HN) 1.8 0.0 3.5
assign (residue 17 and name HA) (residue 21 and name HN) 1.8 0.0 3.2
assign (residue 17 and name HA) (residue 21 and name HD1#) 1.8 0.0 3.2
assign (residue 17 and name HA) (residue 21 and name HD2#) 1.8 0.0 3.2
assign (residue 22 and name HB2) (residue 18 and name HB#) 1.8 0.0 3.7
assign (residue 22 and name HB1) (residue 18 and name HB#) 1.8 0.0 3.5
assign (residue 19 and name HA) (residue 23 and name HD1#) 1.8 0.0 3.2
assign (residue 19 and name HA) (residue 23 and name HG2#) 1.8 0.0 5.2
assign (residue 19 and name HA) (residue 23 and name HN) 1.8 0.0 3.2
assign (residue 19 and name HG2#) (residue 23 and name HN) 1.8 0.0 4.2
assign (residue 19 and name HG1#) (residue 23 and name HN) 1.8 0.0 4.2
assign (residue 23 and name HB) (residue 19 and name HG1#) 1.8 0.0 3.7
assign (residue 23 and name HG11) (residue 19 and name HG2#) 1.8 0.0 3.7
assign (residue 23 and name HG11) (residue 19 and name HG1#) 1.8 0.0 3.2
assign (residue 23 and name HG12) (residue 19 and name HG2#) 1.8 0.0 3.2
assign (residue 23 and name HG12) (residue 19 and name HG1#) 1.8 0.0 3.2
assign (residue 23 and name HA) (residue 19 and name HG2#) 1.8 0.0 4.5
assign (residue 23 and name HA) (residue 19 and name HG1#) 1.8 0.0 4.5
assign (residue 23 and name HB) (residue 19 and name HG2#) 1.8 0.0 4.2
assign (residue 23 and name HD1#) (residue 19 and name HN) 1.8 0.0 4.7
assign (residue 20 and name HG#) (residue 20 and name HG1) 1.8 0.0 3.7
assign (residue 21 and name HA) (residue 25 and name HN) 1.8 0.0 3.2
assign (residue 22 and name HB1) (residue 26 and name HD1#) 1.8 0.0 4.7
assign (residue 22 and name HB2) (residue 26 and name HD1#) 1.8 0.0 4.7
assign (residue 26 and name HG) (residue 22 and name HD#) 1.8 0.0 3.4
assign (residue 26 and name HG) (residue 22 and name HE#) 1.8 0.0 3.4
assign (residue 22 and name HA) (residue 26 and name HN) 1.8 0.0 2.5
assign (residue 22 and name HD#) (residue 26 and name HN) 1.8 0.0 4.5
assign (residue 22 and name HE#) (residue 26 and name HN) 1.8 0.0 4.5
assign (residue 26 and name HD1#) (residue 22 and name HD#) 1.8 0.0 3.7
assign (residue 26 and name HD1#) (residue 22 and name HE#) 1.8 0.0 3.5
assign (residue 26 and name HD2#) (residue 22 and name HE#) 1.8 0.0 3.7
assign (residue 26 and name HD2#) (residue 22 and name HD#) 1.8 0.0 4.2
assign (residue 27 and name HD#) (residue 23 and name HG2#) 1.8 0.0 3.7
assign (residue 27 and name HE#) (residue 23 and name HG2#) 1.8 0.0 3.2
assign (residue 27 and name HE#) (residue 23 and name HD1#) 1.8 0.0 5.2
assign (residue 23 and name HA) (residue 27 and name HN) 1.8 0.0 2.2
assign (residue 24 and name HA) (residue 28 and name HG2) 1.8 0.0 4.2
assign (residue 24 and name HG#) (residue 28 and name HN) 1.8 0.0 3.2
assign (residue 24 and name HE22) (residue 28 and name HG2) 1.8 0.0 3.2
assign (residue 24 and name HE21) (residue 28 and name HG2) 1.8 0.0 3.2
assign (residue 28 and name HG1) (residue 24 and name HE21) 1.8 0.0 3.7
assign (residue 28 and name HG2) (residue 24 and name HE21) 1.8 0.0 3.7
assign (residue 30 and name HA1) (residue 26 and name HD2#) 1.8 0.0 3.2
assign (residue 30 and name HA2) (residue 26 and name HD2#) 1.8 0.0 3.2
assign (residue 26 and name HA) (residue 30 and name HA2) 1.8 0.0 2.7
assign (residue 26 and name HA) (residue 30 and name HA1) 1.8 0.0 2.7
assign (residue 26 and name HA) (residue 30 and name HN) 1.8 0.0 2.2
assign (residue 26 and name HN) (residue 30 and name HN) 1.8 0.0 3.2
assign (residue 26 and name HD2#) (residue 30 and name HN) 1.8 0.0 3.7
assign (residue 29 and name HN) (residue 33 and name HB2) 1.8 0.0 3.7
assign (residue 31 and name HA) (residue 35 and name HN) 1.8 0.0 3.7



!i,i+n
assign (residue 9 and name HA) (residue 14 and name HG2) 1.8 0.0 4.2
assign (residue 30 and name HA2) (residue 25 and name HE3) 1.8 0.0 2.5
assign (residue 33 and name HB2) (residue 28 and name HG1) 1.8 0.0 3.2
assign (residue 33 and name HB2) (residue 28 and name HB#) 1.8 0.0 3.7
assign (residue 15 and name HA) (residue 10 and name HB#) 1.8 0.0 3.2
assign (residue 15 and name HG1) (residue 10 and name HD2#) 1.8 0.0 3.2
assign (residue 30 and name HN) (residue 25 and name HA) 1.8 0.0 3.2
assign (residue 30 and name HA2) (residue 25 and name HH2) 1.8 0.0 3.2
assign (residue 30 and name HA2) (residue 25 and name HZ2) 1.8 0.0 3.2
assign (residue 30 and name HA2) (residue 25 and name HZ3) 1.8 0.0 3.2
assign (residue 30 and name HA1) (residue 25 and name HE3) 1.8 0.0 3.2
assign (residue 30 and name HA1) (residue 25 and name HH2) 1.8 0.0 3.2
assign (residue 30 and name HA1) (residue 25 and name HZ2) 1.8 0.0 3.2
assign (residue 30 and name HA1) (residue 25 and name HZ3) 1.8 0.0 3.7
assign (residue 31 and name HD1) (residue 26 and name HD2#) 1.8 0.0 3.2
assign (residue 31 and name HD2) (residue 26 and name HD2#) 1.8 0.0 3.2
assign (residue 31 and name HG#) (residue 26 and name HD2#) 1.8 0.0 3.7
assign (residue 31 and name HA) (residue 25 and name HH2) 1.8 0.0 2.2
assign (residue 31 and name HA) (residue 25 and name HZ2) 1.8 0.0 1.7
assign (residue 31 and name HD1) (residue 25 and name HE3) 1.8 0.0 4.2
assign (residue 31 and name HD1) (residue 25 and name HH2) 1.8 0.0 1.7
assign (residue 31 and name HD2) (residue 25 and name HH2) 1.8 0.0 1.7
assign (residue 31 and name HD2) (residue 25 and name HZ2) 1.8 0.0 2.7
assign (residue 31 and name HG#) (residue 25 and name HH2) 1.8 0.0 2.2
assign (residue 31 and name HG#) (residue 25 and name HZ2) 1.8 0.0 2.7
assign (residue 31 and name HA) (residue 25 and name HE1) 1.8 0.0 3.2
assign (residue 31 and name HB1) (residue 25 and name HH2) 1.8 0.0 3.5
assign (residue 31 and name HB1) (residue 25 and name HZ2) 1.8 0.0 3.2
assign (residue 31 and name HB2) (residue 25 and name HH2) 1.8 0.0 3.5
assign (residue 31 and name HB2) (residue 25 and name HZ2) 1.8 0.0 3.2
assign (residue 31 and name HD1) (residue 25 and name HZ2) 1.8 0.0 3.2
assign (residue 31 and name HD2) (residue 25 and name HE3) 1.8 0.0 3.2
assign (residue 31 and name HD2) (residue 25 and name HZ3) 1.8 0.0 3.2
assign (residue 31 and name HG#) (residue 25 and name HE3) 1.8 0.0 4.2
assign (residue 31 and name HG#) (residue 25 and name HZ3) 1.8 0.0 4.2
assign (residue 19 and name HA) (residue 26 and name HD1#) 1.8 0.0 5.2
assign (residue 35 and name HD#) (residue 25 and name HD1) 1.8 0.0 3.2
assign (residue 35 and name HB#) (residue 25 and name HD1) 1.8 0.0 1.7
assign (residue 35 and name HA) (residue 25 and name HE1) 1.8 0.0 3.7
assign (residue 35 and name HB#) (residue 25 and name HE1) 1.8 0.0 1.7
assign (residue 35 and name HD#) (residue 25 and name HE1) 1.8 0.0 3.7
assign (residue 35 and name HG1) (residue 25 and name HD1) 1.8 0.0 1.7
assign (residue 35 and name HG2) (residue 25 and name HD1) 1.8 0.0 1.7
assign (residue 35 and name HG1) (residue 25 and name HE1) 1.8 0.0 3.2
assign (residue 35 and name HG2) (residue 25 and name HE1) 1.8 0.0 3.2
assign (residue 35 and name HN) (residue 25 and name HE1) 1.8 0.0 3.2
assign (residue 36 and name HA) (residue 25 and name HE1) 1.8 0.0 3.2
assign (residue 37 and name HD#) (residue 25 and name HH2) 1.8 0.0 2.7
assign (residue 37 and name HD#) (residue 25 and name HZ2) 1.8 0.0 2.2
assign (residue 37 and name HG2) (residue 25 and name HH2) 1.8 0.0 2.7
assign (residue 37 and name HA) (residue 25 and name HD1) 1.8 0.0 3.5
assign (residue 37 and name HA) (residue 25 and name HE1) 1.8 0.0 3.5
assign (residue 37 and name HA) (residue 25 and name HZ2) 1.8 0.0 4.2
assign (residue 37 and name HB1) (residue 25 and name HH2) 1.8 0.0 4.2
assign (residue 37 and name HB1) (residue 25 and name HZ2) 1.8 0.0 4.2
assign (residue 37 and name HB2) (residue 25 and name HE3) 1.8 0.0 3.5
assign (residue 37 and name HB2) (residue 25 and name HH2) 1.8 0.0 3.5
assign (residue 37 and name HB2) (residue 25 and name HZ2) 1.8 0.0 3.5
assign (residue 37 and name HB2) (residue 25 and name HZ3) 1.8 0.0 3.5
assign (residue 37 and name HD#) (residue 25 and name HE1) 1.8 0.0 3.5
assign (residue 37 and name HD#) (residue 25 and name HE3) 3.0 0.0 3.5
assign (residue 37 and name HG1) (residue 25 and name HH2) 1.8 0.0 3.2
assign (residue 37 and name HG1) (residue 25 and name HZ2) 1.8 0.0 3.2
assign (residue 37 and name HG2) (residue 25 and name HZ2) 1.8 0.0 3.2
assign (residue 25 and name HA) (residue 38 and name HD1) 1.8 0.0 3.7
assign (residue 25 and name HB1) (residue 38 and name HD1) 1.8 0.0 2.7
assign (residue 25 and name HB1) (residue 38 and name HD2) 1.8 0.0 3.2
assign (residue 25 and name HB1) (residue 38 and name HG2) 1.8 0.0 3.2
assign (residue 38 and name HD1) (residue 25 and name HE1) 1.8 0.0 3.2
assign (residue 38 and name HD2) (residue 25 and name HD1) 1.8 0.0 3.2
assign (residue 38 and name HG1) (residue 25 and name HD1) 1.8 0.0 3.5
assign (residue 38 and name HG1) (residue 25 and name HB2) 1.8 0.0 2.7
assign (residue 38 and name HG2) (residue 25 and name HB2) 1.8 0.0 2.7
assign (residue 38 and name HB1) (residue 25 and name HB2) 1.8 0.0 2.7
assign (residue 37 and name HB1) (residue 22 and name HD#) 1.8 0.0 2.7
assign (residue 37 and name HB1) (residue 22 and name HE#) 1.8 0.0 2.7
assign (residue 37 and name HB2) (residue 22 and name HE#) 1.8 0.0 2.9
assign (residue 37 and name HB2) (residue 22 and name HD#) 1.8 0.0 4.2
assign (residue 37 and name HG1) (residue 22 and name HE#) 1.8 0.0 4.2
assign (residue 22 and name HA) (residue 38 and name HG1) 1.8 0.0 2.7
assign (residue 22 and name HA) (residue 38 and name HG2) 1.8 0.0 2.2
assign (residue 22 and name HA) (residue 38 and name HD1) 1.8 0.0 2.7
assign (residue 22 and name HA) (residue 38 and name HD1) 1.8 0.0 2.7
assign (residue 38 and name HG1) (residue 22 and name HD#) 1.8 0.0 3.7
assign (residue 38 and name HG1) (residue 22 and name HE#) 1.8 0.0 3.7
assign (residue 38 and name HA) (residue 21 and name HD1#) 1.8 0.0 4.7
assign (residue 38 and name HA) (residue 18 and name HB#) 1.8 0.0 4.5



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           H1       HIS   1  63.433  15.183  14.004
    2    H2   HIS   1           H2       HIS   1  63.884  13.819  13.066
    3    H3   HIS   1           H3       HIS   1  62.368  14.582  12.806
    4    HA   HIS   1           HA       HIS   1  63.443  16.549  12.059
    5    HB2  HIS   1           HB3      HIS   1  65.634  15.372  13.421
    6    HB3  HIS   1           HB2      HIS   1  66.100  15.506  11.729
    7    HD1  HIS   1           HD1      HIS   1  67.547  17.517  11.619
    8    HD2  HIS   1           HD2      HIS   1  64.142  18.172  13.911
    9    HE1  HIS   1           HE1      HIS   1  67.610  19.953  12.237
   10    HE2  HIS   1           HE2      HIS   1  65.495  20.346  13.550
   11    H    GLY   2           H        GLY   2  63.768  16.808   9.843
   12    HA2  GLY   2           HA3      GLY   2  64.147  14.349   8.271
   13    HA3  GLY   2           HA2      GLY   2  62.747  15.365   7.963
   14    H    GLU   3           H        GLU   3  64.689  14.715   6.030
   15    HA   GLU   3           HA       GLU   3  65.893  17.364   5.563
   16    HB2  GLU   3           HB3      GLU   3  67.083  14.696   5.478
   17    HB3  GLU   3           HB2      GLU   3  67.355  15.609   4.001
   18    HG2  GLU   3           HG3      GLU   3  69.119  16.432   5.090
   19    HG3  GLU   3           HG2      GLU   3  67.937  17.473   5.881
   20    H    GLY   4           H        GLY   4  63.252  16.370   4.790
   21    HA2  GLY   4           HA3      GLY   4  61.974  16.921   2.908
   22    HA3  GLY   4           HA2      GLY   4  63.448  17.003   1.958
   23    H    THR   5           H        THR   5  64.416  15.013   1.242
   24    HA   THR   5           HA       THR   5  64.337  12.973   0.240
   25    HB   THR   5           HB       THR   5  62.240  11.894   2.022
   26    HG1  THR   5           HG1      THR   5  63.063  13.038   3.623
   27   HG21  THR   5          HG21      THR   5  63.324  10.120   1.182
   28   HG22  THR   5          HG22      THR   5  64.443  10.437   2.508
   29   HG23  THR   5          HG23      THR   5  64.807  11.027   0.886
   30    H    PHE   6           H        PHE   6  62.377  11.146  -0.257
   31    HA   PHE   6           HA       PHE   6  60.083  12.595  -1.334
   32    HB2  PHE   6           HB3      PHE   6  60.489  11.183  -3.512
   33    HB3  PHE   6           HB2      PHE   6  61.313  12.720  -3.286
   34    HD1  PHE   6           HD2      PHE   6  62.031   9.329  -1.912
   35    HD2  PHE   6           HD1      PHE   6  63.354  12.563  -4.342
   36    HE1  PHE   6           HE2      PHE   6  64.198   8.207  -2.220
   37    HE2  PHE   6           HE1      PHE   6  65.522  11.445  -4.654
   38    HZ   PHE   6           HZ       PHE   6  65.947   9.265  -3.592
   39    H    THR   7           H        THR   7  59.687  11.110   0.750
   40    HA   THR   7           HA       THR   7  58.340   8.739  -0.301
   41    HB   THR   7           HB       THR   7  60.277   7.693   0.514
   42    HG1  THR   7           HG1      THR   7  59.556   6.678   2.471
   43   HG21  THR   7          HG21      THR   7  60.512   8.492   3.217
   44   HG22  THR   7          HG22      THR   7  60.521   9.940   2.212
   45   HG23  THR   7          HG23      THR   7  61.687   8.652   1.912
   46    H    SER   8           H        SER   8  56.480   8.163   0.791
   47    HA   SER   8           HA       SER   8  55.668   9.017   3.309
   48    HB2  SER   8           HB3      SER   8  55.620  11.151   1.470
   49    HB3  SER   8           HB2      SER   8  53.938  10.662   1.681
   50    HG   SER   8           HG       SER   8  55.760  11.268   3.774
   51    H    ASP   9           H        ASP   9  54.698   8.287   0.010
   52    HA   ASP   9           HA       ASP   9  52.259   6.983   0.991
   53    HB2  ASP   9           HB3      ASP   9  53.176   7.756  -1.785
   54    HB3  ASP   9           HB2      ASP   9  51.747   6.771  -1.489
   55    H    LEU  10           H        LEU  10  54.874   5.902   1.488
   56    HA   LEU  10           HA       LEU  10  54.492   3.364   0.093
   57    HB2  LEU  10           HB3      LEU  10  56.925   2.927   0.499
   58    HB3  LEU  10           HB2      LEU  10  56.547   4.132  -0.715
   59    HG   LEU  10           HG       LEU  10  57.261   5.915   0.666
   60   HD11  LEU  10          HD11      LEU  10  56.302   5.414   2.766
   61   HD12  LEU  10          HD12      LEU  10  58.044   5.471   3.024
   62   HD13  LEU  10          HD13      LEU  10  57.220   3.915   2.912
   63   HD21  LEU  10          HD21      LEU  10  59.547   4.936   1.525
   64   HD22  LEU  10          HD22      LEU  10  59.202   5.071  -0.200
   65   HD23  LEU  10          HD23      LEU  10  59.022   3.517   0.619
   66    H    SER  11           H        SER  11  53.765   4.762   2.747
   67    HA   SER  11           HA       SER  11  54.474   2.502   4.455
   68    HB2  SER  11           HB3      SER  11  55.526   4.448   5.362
   69    HB3  SER  11           HB2      SER  11  54.071   5.409   5.104
   70    H    LYS  12           H        LYS  12  52.027   4.591   3.240
   71    HA   LYS  12           HA       LYS  12  49.962   3.019   4.619
   72    HB2  LYS  12           HB3      LYS  12  50.267   5.936   4.107
   73    HB3  LYS  12           HB2      LYS  12  48.667   5.229   4.200
   74    HG2  LYS  12           HG3      LYS  12  48.791   4.934   6.423
   75    HG3  LYS  12           HG2      LYS  12  50.480   4.424   6.318
   76    HD2  LYS  12           HD3      LYS  12  50.371   6.477   7.574
   77    HD3  LYS  12           HD2      LYS  12  51.138   6.793   6.015
   78    HE2  LYS  12           HE2      LYS  12  48.928   7.571   5.167
   79    HE3  LYS  12           HE3      LYS  12  48.286   7.392   6.798
   80    HZ1  LYS  12           HZ1      LYS  12  50.242   9.342   5.781
   81    HZ2  LYS  12           HZ2      LYS  12  50.255   8.924   7.419
   82    HZ3  LYS  12           HZ3      LYS  12  48.867   9.602   6.733
   83    H    GLN  13           H        GLN  13  51.251   4.097   1.699
   84    HA   GLN  13           HA       GLN  13  48.789   3.348   0.280
   85    HB2  GLN  13           HB3      GLN  13  49.333   5.704   0.024
   86    HB3  GLN  13           HB2      GLN  13  50.932   5.277  -0.558
   87    HG2  GLN  13           HG3      GLN  13  49.437   5.907  -2.383
   88    HG3  GLN  13           HG2      GLN  13  49.976   4.234  -2.522
   89   HE21  GLN  13          HE21      GLN  13  48.444   2.917  -3.158
   90   HE22  GLN  13          HE22      GLN  13  46.755   3.046  -2.782
   91    H    MET  14           H        MET  14  52.329   3.102   0.299
   92    HA   MET  14           HA       MET  14  52.011   1.039  -1.796
   93    HB2  MET  14           HB3      MET  14  53.889   1.761  -2.743
   94    HB3  MET  14           HB2      MET  14  53.960   3.064  -1.574
   95    HG2  MET  14           HG3      MET  14  55.339   1.781  -0.121
   96    HG3  MET  14           HG2      MET  14  55.106   0.326  -1.104
   97    HE1  MET  14           HE1      MET  14  55.613   0.542  -3.803
   98    HE2  MET  14           HE2      MET  14  56.836  -0.387  -2.935
   99    HE3  MET  14           HE3      MET  14  57.325   0.805  -4.142
  100    H    GLU  15           H        GLU  15  52.540   1.626   1.479
  101    HA   GLU  15           HA       GLU  15  53.643  -1.019   1.939
  102    HB2  GLU  15           HB3      GLU  15  53.664   1.437   3.395
  103    HB3  GLU  15           HB2      GLU  15  52.934   0.190   4.394
  104    HG2  GLU  15           HG3      GLU  15  54.899  -1.234   4.002
  105    HG3  GLU  15           HG2      GLU  15  55.637   0.068   3.070
  106    H    GLU  16           H        GLU  16  50.681   0.930   2.175
  107    HA   GLU  16           HA       GLU  16  49.084  -0.770   3.700
  108    HB2  GLU  16           HB3      GLU  16  48.668   1.374   1.875
  109    HB3  GLU  16           HB2      GLU  16  47.560   0.083   1.438
  110    HG2  GLU  16           HG3      GLU  16  46.793   0.011   3.790
  111    HG3  GLU  16           HG2      GLU  16  47.819   1.403   4.126
  112    H    GLU  17           H        GLU  17  50.188  -0.978   0.407
  113    HA   GLU  17           HA       GLU  17  48.837  -3.497  -0.115
  114    HB2  GLU  17           HB3      GLU  17  49.303  -3.123  -2.326
  115    HB3  GLU  17           HB2      GLU  17  49.296  -1.464  -1.759
  116    HG2  GLU  17           HG3      GLU  17  51.791  -1.735  -1.431
  117    HG3  GLU  17           HG2      GLU  17  51.649  -3.207  -2.365
  118    H    DAL  18           H        ALA  18  51.995  -2.115   0.498
  119    HA   DAL  18           HA       ALA  18  53.941  -3.033   1.233
  120    HB1  DAL  18           HB1      ALA  18  54.383  -5.323  -0.133
  121    HB2  DAL  18           HB2      ALA  18  54.675  -3.711  -0.786
  122    HB3  DAL  18           HB3      ALA  18  53.173  -4.557  -1.164
  123    H    VAL  19           H        VAL  19  51.627  -3.630   2.717
  124    HA   VAL  19           HA       VAL  19  52.558  -5.798   4.314
  125    HB   VAL  19           HB       VAL  19  49.913  -4.325   4.383
  126   HG11  VAL  19          HG11      VAL  19  51.180  -6.212   6.360
  127   HG12  VAL  19          HG12      VAL  19  49.659  -6.433   5.496
  128   HG13  VAL  19          HG13      VAL  19  49.803  -5.173   6.721
  129   HG21  VAL  19          HG21      VAL  19  52.335  -3.256   4.855
  130   HG22  VAL  19          HG22      VAL  19  51.962  -3.899   6.454
  131   HG23  VAL  19          HG23      VAL  19  50.865  -2.749   5.688
  132    H    ARG  20           H        ARG  20  50.125  -5.367   1.822
  133    HA   ARG  20           HA       ARG  20  48.783  -7.831   2.186
  134    HB2  ARG  20           HB3      ARG  20  49.080  -6.142  -0.309
  135    HB3  ARG  20           HB2      ARG  20  47.960  -7.483  -0.128
  136    HG2  ARG  20           HG3      ARG  20  47.802  -5.343   1.903
  137    HG3  ARG  20           HG2      ARG  20  47.269  -4.939   0.269
  138    HD2  ARG  20           HD3      ARG  20  45.859  -7.037   0.352
  139    HD3  ARG  20           HD2      ARG  20  46.236  -7.118   2.072
  140    HE   ARG  20           HE       ARG  20  45.205  -4.566   1.354
  141   HH11  ARG  20          HH11      ARG  20  44.258  -7.860   2.009
  142   HH12  ARG  20          HH12      ARG  20  42.659  -7.429   2.518
  143   HH21  ARG  20          HH21      ARG  20  43.104  -3.998   2.023
  144   HH22  ARG  20          HH22      ARG  20  42.006  -5.237   2.526
  145    H    LEU  21           H        LEU  21  51.604  -6.825   0.317
  146    HA   LEU  21           HA       LEU  21  51.938  -9.521  -0.754
  147    HB2  LEU  21           HB3      LEU  21  53.822  -7.202  -1.051
  148    HB3  LEU  21           HB2      LEU  21  53.699  -8.627  -2.069
  149    HG   LEU  21           HG       LEU  21  51.584  -6.503  -1.812
  150   HD11  LEU  21          HD11      LEU  21  53.943  -6.139  -3.025
  151   HD12  LEU  21          HD12      LEU  21  52.437  -5.441  -3.623
  152   HD13  LEU  21          HD13      LEU  21  53.061  -6.930  -4.333
  153   HD21  LEU  21          HD21      LEU  21  51.600  -8.335  -4.108
  154   HD22  LEU  21          HD22      LEU  21  50.254  -7.727  -3.145
  155   HD23  LEU  21          HD23      LEU  21  51.220  -9.081  -2.555
  156    H    TYR  22           H        TYR  22  53.192  -7.461   1.746
  157    HA   TYR  22           HA       TYR  22  55.535  -8.948   2.338
  158    HB2  TYR  22           HB3      TYR  22  55.482  -6.778   3.225
  159    HB3  TYR  22           HB2      TYR  22  53.836  -6.946   3.786
  160    HD1  TYR  22           HD1      TYR  22  56.805  -9.113   4.344
  161    HD2  TYR  22           HD2      TYR  22  53.863  -6.551   6.017
  162    HE1  TYR  22           HE1      TYR  22  57.610  -9.672   6.595
  163    HE2  TYR  22           HE2      TYR  22  54.645  -7.091   8.267
  164    HH   TYR  22           HH       TYR  22  57.074  -7.966   9.221
  165    H    ILE  23           H        ILE  23  52.266  -8.805   3.607
  166    HA   ILE  23           HA       ILE  23  52.563 -10.963   5.410
  167    HB   ILE  23           HB       ILE  23  50.080  -9.847   4.083
  168   HG12  ILE  23          HG12      ILE  23  51.457  -8.339   5.607
  169   HG13  ILE  23          HG13      ILE  23  49.767  -8.551   6.045
  170   HG21  ILE  23          HG21      ILE  23  49.183 -10.978   6.340
  171   HG22  ILE  23          HG22      ILE  23  50.513 -12.071   5.960
  172   HG23  ILE  23          HG23      ILE  23  49.226 -11.807   4.784
  173   HD11  ILE  23          HD11      ILE  23  52.169  -9.822   7.326
  174   HD12  ILE  23          HD12      ILE  23  50.505 -10.282   7.689
  175   HD13  ILE  23          HD13      ILE  23  51.065  -8.644   8.031
  176    H    GLN  24           H        GLN  24  51.938 -10.611   1.990
  177    HA   GLN  24           HA       GLN  24  51.033 -13.264   1.469
  178    HB2  GLN  24           HB3      GLN  24  50.895 -11.289  -0.115
  179    HB3  GLN  24           HB2      GLN  24  52.612 -11.489  -0.402
  180    HG2  GLN  24           HG3      GLN  24  51.471 -12.547  -2.180
  181    HG3  GLN  24           HG2      GLN  24  52.137 -13.817  -1.153
  182   HE21  GLN  24          HE21      GLN  24  50.795 -15.246  -0.201
  183   HE22  GLN  24          HE22      GLN  24  49.078 -15.251  -0.396
  184    H    TRP  25           H        TRP  25  54.159 -11.633   1.370
  185    HA   TRP  25           HA       TRP  25  55.835 -13.762   0.688
  186    HB2  TRP  25           HB3      TRP  25  56.708 -11.513   0.778
  187    HB3  TRP  25           HB2      TRP  25  56.259 -11.353   2.474
  188    HD1  TRP  25           HD1      TRP  25  58.812 -13.147   0.239
  189    HE1  TRP  25           HE1      TRP  25  60.839 -13.773   1.685
  190    HE3  TRP  25           HE3      TRP  25  57.010 -11.749   4.796
  191    HZ2  TRP  25           HZ2      TRP  25  61.588 -13.663   4.413
  192    HZ3  TRP  25           HZ3      TRP  25  58.441 -12.027   6.773
  193    HH2  TRP  25           HH2      TRP  25  60.675 -12.983   6.582
  194    H    LEU  26           H        LEU  26  54.227 -12.855   3.625
  195    HA   LEU  26           HA       LEU  26  55.592 -14.807   5.260
  196    HB2  LEU  26           HB3      LEU  26  53.540 -12.688   5.690
  197    HB3  LEU  26           HB2      LEU  26  53.617 -14.000   6.842
  198    HG   LEU  26           HG       LEU  26  55.663 -11.886   6.276
  199   HD11  LEU  26          HD11      LEU  26  55.506 -11.458   8.597
  200   HD12  LEU  26          HD12      LEU  26  54.621 -12.957   8.883
  201   HD13  LEU  26          HD13      LEU  26  53.852 -11.633   8.009
  202   HD21  LEU  26          HD21      LEU  26  57.178 -13.162   7.804
  203   HD22  LEU  26          HD22      LEU  26  56.966 -13.880   6.208
  204   HD23  LEU  26          HD23      LEU  26  56.114 -14.552   7.598
  205    H    LYS  27           H        LYS  27  52.596 -14.485   3.475
  206    HA   LYS  27           HA       LYS  27  50.983 -16.387   4.636
  207    HB2  LYS  27           HB3      LYS  27  51.099 -15.037   2.147
  208    HB3  LYS  27           HB2      LYS  27  50.859 -16.741   1.792
  209    HG2  LYS  27           HG3      LYS  27  48.703 -16.458   2.196
  210    HG3  LYS  27           HG2      LYS  27  49.104 -16.166   3.890
  211    HD2  LYS  27           HD3      LYS  27  49.641 -13.739   2.883
  212    HD3  LYS  27           HD2      LYS  27  48.395 -14.255   1.744
  213    HE2  LYS  27           HE2      LYS  27  48.172 -14.077   4.745
  214    HE3  LYS  27           HE3      LYS  27  47.344 -13.077   3.553
  215    HZ1  LYS  27           HZ1      LYS  27  46.232 -15.122   2.756
  216    HZ2  LYS  27           HZ2      LYS  27  45.835 -14.723   4.352
  217    HZ3  LYS  27           HZ3      LYS  27  46.930 -15.975   4.042
  218    H    GLU  28           H        GLU  28  53.814 -16.866   2.647
  219    HA   GLU  28           HA       GLU  28  53.422 -19.753   2.607
  220    HB2  GLU  28           HB3      GLU  28  55.843 -18.370   1.500
  221    HB3  GLU  28           HB2      GLU  28  55.080 -19.862   0.969
  222    HG2  GLU  28           HG3      GLU  28  53.089 -18.101   0.496
  223    HG3  GLU  28           HG2      GLU  28  54.502 -17.074   0.244
  224    H    GLY  29           H        GLY  29  55.236 -17.318   4.292
  225    HA2  GLY  29           HA3      GLY  29  56.022 -18.091   6.518
  226    HA3  GLY  29           HA2      GLY  29  56.764 -19.444   5.658
  227    H    GLY  30           H        GLY  30  56.741 -16.349   4.162
  228    HA2  GLY  30           HA3      GLY  30  58.699 -15.398   3.217
  229    HA3  GLY  30           HA2      GLY  30  58.559 -14.700   4.811
  230    HA   PRO  31           HA       PRO  31  62.551 -16.176   5.758
  231    HB2  PRO  31           HB3      PRO  31  62.381 -16.451   8.438
  232    HB3  PRO  31           HB2      PRO  31  62.327 -14.870   7.647
  233    HG2  PRO  31           HG3      PRO  31  60.079 -16.535   8.703
  234    HG3  PRO  31           HG2      PRO  31  60.322 -14.784   8.813
  235    HD2  PRO  31           HD3      PRO  31  58.673 -15.986   7.007
  236    HD3  PRO  31           HD2      PRO  31  59.425 -14.429   6.749
  237    H    SER  32           H        SER  32  61.382 -18.278   4.606
  238    HA   SER  32           HA       SER  32  62.596 -20.503   5.780
  239    HB2  SER  32           HB3      SER  32  60.836 -20.409   7.456
  240    HB3  SER  32           HB2      SER  32  59.600 -20.379   6.198
  241    HG   SER  32           HG       SER  32  59.995 -22.478   7.157
  242    H    SER  33           H        SER  33  59.954 -19.371   3.733
  243    HA   SER  33           HA       SER  33  59.660 -21.604   2.096
  244    HB2  SER  33           HB3      SER  33  58.541 -19.095   2.201
  245    HB3  SER  33           HB2      SER  33  59.430 -19.043   0.674
  246    HG   SER  33           HG       SER  33  57.536 -21.013   1.449
  247    H    GLY  34           H        GLY  34  61.327 -18.634   1.038
  248    HA2  GLY  34           HA3      GLY  34  63.812 -19.564   0.444
  249    HA3  GLY  34           HA2      GLY  34  62.838 -20.124  -0.913
  250    H    ARG  35           H        ARG  35  62.578 -17.096   0.910
  251    HA   ARG  35           HA       ARG  35  63.802 -15.531  -1.151
  252    HB2  ARG  35           HB3      ARG  35  61.730 -14.214  -1.659
  253    HB3  ARG  35           HB2      ARG  35  61.714 -15.858  -2.286
  254    HG2  ARG  35           HG3      ARG  35  60.530 -16.215   0.125
  255    HG3  ARG  35           HG2      ARG  35  60.007 -14.581  -0.279
  256    HD2  ARG  35           HD3      ARG  35  58.346 -15.889  -1.225
  257    HD3  ARG  35           HD2      ARG  35  59.424 -15.589  -2.587
  258    HE   ARG  35           HE       ARG  35  60.178 -17.974  -1.295
  259   HH11  ARG  35          HH11      ARG  35  57.641 -16.680  -3.312
  260   HH12  ARG  35          HH12      ARG  35  57.254 -18.212  -4.022
  261   HH21  ARG  35          HH21      ARG  35  59.672 -19.989  -2.229
  262   HH22  ARG  35          HH22      ARG  35  58.406 -20.091  -3.407
  263    HA   PRO  36           HA       PRO  36  64.005 -12.743   2.270
  264    HB2  PRO  36           HB3      PRO  36  64.607 -10.429   1.057
  265    HB3  PRO  36           HB2      PRO  36  65.724 -11.799   1.047
  266    HG2  PRO  36           HG3      PRO  36  63.964 -10.774  -1.115
  267    HG3  PRO  36           HG2      PRO  36  65.552 -11.548  -1.229
  268    HD2  PRO  36           HD3      PRO  36  63.051 -12.773  -1.634
  269    HD3  PRO  36           HD2      PRO  36  64.611 -13.598  -1.466
  270    HA   PRO  37           HA       PRO  37  60.239 -10.484   2.751
  271    HB2  PRO  37           HB3      PRO  37  61.264  -8.559   4.571
  272    HB3  PRO  37           HB2      PRO  37  60.505 -10.107   4.957
  273    HG2  PRO  37           HG3      PRO  37  63.186  -9.442   5.389
  274    HG3  PRO  37           HG2      PRO  37  62.499 -11.074   5.413
  275    HD2  PRO  37           HD3      PRO  37  64.020  -9.690   3.260
  276    HD3  PRO  37           HD2      PRO  37  63.980 -11.413   3.687
  277    HA   PRO  38           HA       PRO  38  60.300  -7.022  -0.043
  278    HB2  PRO  38           HB3      PRO  38  57.826  -6.019   0.566
  279    HB3  PRO  38           HB2      PRO  38  58.092  -7.413  -0.488
  280    HG2  PRO  38           HG3      PRO  38  57.340  -7.344   2.406
  281    HG3  PRO  38           HG2      PRO  38  56.719  -8.380   1.111
  282    HD2  PRO  38           HD3      PRO  38  58.528  -9.267   2.884
  283    HD3  PRO  38           HD2      PRO  38  58.545  -9.792   1.188
  284    H    SER  39           H        SER  39  59.178  -4.591   0.300
  285    HA   SER  39           HA       SER  39  60.870  -3.423   2.345
  286    HB2  SER  39           HB3      SER  39  60.988  -2.258   0.300
  287    HB3  SER  39           HB2      SER  39  59.239  -2.289   0.081
  288    HG   SER  39           HG       SER  39  60.464  -0.928   2.236
  Start of MODEL    2
    1    H1   HIS   1           H1       HIS   1  63.319  18.369 -11.340
    2    H2   HIS   1           H2       HIS   1  64.564  18.036 -10.208
    3    H3   HIS   1           H3       HIS   1  63.225  19.008  -9.753
    4    HA   HIS   1           HA       HIS   1  61.770  17.239  -9.797
    5    HB2  HIS   1           HB3      HIS   1  63.019  16.371 -11.931
    6    HB3  HIS   1           HB2      HIS   1  63.916  15.386 -10.781
    7    HD1  HIS   1           HD1      HIS   1  62.794  13.313 -12.003
    8    HD2  HIS   1           HD2      HIS   1  60.191  15.789  -9.917
    9    HE1  HIS   1           HE1      HIS   1  60.669  11.991 -11.747
   10    HE2  HIS   1           HE2      HIS   1  59.139  13.477 -10.407
   11    H    GLY   2           H        GLY   2  61.507  15.891  -8.023
   12    HA2  GLY   2           HA3      GLY   2  63.883  15.638  -6.283
   13    HA3  GLY   2           HA2      GLY   2  62.272  15.980  -5.672
   14    H    GLU   3           H        GLU   3  60.909  14.107  -7.382
   15    HA   GLU   3           HA       GLU   3  60.219  11.941  -7.384
   16    HB2  GLU   3           HB3      GLU   3  63.163  11.766  -7.374
   17    HB3  GLU   3           HB2      GLU   3  62.332  10.314  -6.834
   18    HG2  GLU   3           HG3      GLU   3  61.301   9.984  -8.880
   19    HG3  GLU   3           HG2      GLU   3  61.522  11.662  -9.374
   20    H    GLY   4           H        GLY   4  60.284   9.838  -5.973
   21    HA2  GLY   4           HA3      GLY   4  59.612  10.674  -3.304
   22    HA3  GLY   4           HA2      GLY   4  59.500   9.043  -3.945
   23    H    THR   5           H        THR   5  61.550  11.375  -2.360
   24    HA   THR   5           HA       THR   5  63.510   9.243  -1.828
   25    HB   THR   5           HB       THR   5  64.487  11.876  -1.161
   26    HG1  THR   5           HG1      THR   5  63.684  11.513  -3.856
   27   HG21  THR   5          HG21      THR   5  66.059  10.173  -1.563
   28   HG22  THR   5          HG22      THR   5  66.191  11.292  -2.920
   29   HG23  THR   5          HG23      THR   5  65.333   9.764  -3.118
   30    H    PHE   6           H        PHE   6  61.020   9.698  -0.382
   31    HA   PHE   6           HA       PHE   6  62.132   9.773   2.285
   32    HB2  PHE   6           HB3      PHE   6  60.500  11.476   3.086
   33    HB3  PHE   6           HB2      PHE   6  61.701  12.131   1.980
   34    HD1  PHE   6           HD2      PHE   6  58.179  11.214   2.398
   35    HD2  PHE   6           HD1      PHE   6  61.081  12.943  -0.190
   36    HE1  PHE   6           HE2      PHE   6  56.377  12.107   0.983
   37    HE2  PHE   6           HE1      PHE   6  59.284  13.840  -1.612
   38    HZ   PHE   6           HZ       PHE   6  56.928  13.422  -1.027
   39    H    THR   7           H        THR   7  60.004   9.719   3.858
   40    HA   THR   7           HA       THR   7  58.485   7.415   2.862
   41    HB   THR   7           HB       THR   7  57.933   7.112   5.326
   42    HG1  THR   7           HG1      THR   7  59.031   8.284   6.787
   43   HG21  THR   7          HG21      THR   7  59.755   5.859   4.137
   44   HG22  THR   7          HG22      THR   7  59.950   6.026   5.882
   45   HG23  THR   7          HG23      THR   7  60.884   7.046   4.788
   46    H    SER   8           H        SER   8  56.274   7.370   2.849
   47    HA   SER   8           HA       SER   8  54.517   9.036   4.170
   48    HB2  SER   8           HB3      SER   8  55.334  10.970   3.070
   49    HB3  SER   8           HB2      SER   8  55.419  10.145   1.514
   50    HG   SER   8           HG       SER   8  53.374  11.507   2.593
   51    H    ASP   9           H        ASP   9  54.642   8.319   0.672
   52    HA   ASP   9           HA       ASP   9  52.125   6.857   0.963
   53    HB2  ASP   9           HB3      ASP   9  53.577   7.720  -1.550
   54    HB3  ASP   9           HB2      ASP   9  51.979   6.982  -1.487
   55    H    LEU  10           H        LEU  10  54.707   5.802   1.818
   56    HA   LEU  10           HA       LEU  10  54.513   3.315   0.318
   57    HB2  LEU  10           HB3      LEU  10  56.954   2.946   0.844
   58    HB3  LEU  10           HB2      LEU  10  56.574   4.090  -0.430
   59    HG   LEU  10           HG       LEU  10  58.439   4.750   1.150
   60   HD11  LEU  10          HD11      LEU  10  56.183   6.729   1.094
   61   HD12  LEU  10          HD12      LEU  10  57.092   6.282  -0.347
   62   HD13  LEU  10          HD13      LEU  10  57.915   7.034   1.018
   63   HD21  LEU  10          HD21      LEU  10  56.188   5.407   3.038
   64   HD22  LEU  10          HD22      LEU  10  57.921   5.585   3.309
   65   HD23  LEU  10          HD23      LEU  10  57.205   3.977   3.202
   66    H    SER  11           H        SER  11  53.590   4.653   2.879
   67    HA   SER  11           HA       SER  11  54.277   2.453   4.663
   68    HB2  SER  11           HB3      SER  11  55.243   4.310   5.721
   69    HB3  SER  11           HB2      SER  11  53.962   5.387   5.166
   70    H    LYS  12           H        LYS  12  51.889   4.524   3.304
   71    HA   LYS  12           HA       LYS  12  49.747   2.931   4.528
   72    HB2  LYS  12           HB3      LYS  12  50.057   5.860   4.064
   73    HB3  LYS  12           HB2      LYS  12  48.465   5.131   4.093
   74    HG2  LYS  12           HG3      LYS  12  48.507   4.837   6.314
   75    HG3  LYS  12           HG2      LYS  12  50.197   4.326   6.275
   76    HD2  LYS  12           HD3      LYS  12  50.096   6.362   7.523
   77    HD3  LYS  12           HD2      LYS  12  50.840   6.720   5.963
   78    HE2  LYS  12           HE2      LYS  12  49.329   8.464   6.251
   79    HE3  LYS  12           HE3      LYS  12  48.457   7.338   5.213
   80    HZ1  LYS  12           HZ1      LYS  12  47.561   6.439   7.449
   81    HZ2  LYS  12           HZ2      LYS  12  46.899   7.854   6.804
   82    HZ3  LYS  12           HZ3      LYS  12  48.028   7.945   8.060
   83    H    GLN  13           H        GLN  13  51.230   4.035   1.718
   84    HA   GLN  13           HA       GLN  13  48.860   3.344   0.125
   85    HB2  GLN  13           HB3      GLN  13  49.487   5.697  -0.056
   86    HB3  GLN  13           HB2      GLN  13  51.101   5.225  -0.562
   87    HG2  GLN  13           HG3      GLN  13  50.289   5.524  -2.625
   88    HG3  GLN  13           HG2      GLN  13  49.609   3.914  -2.390
   89   HE21  GLN  13          HE21      GLN  13  48.961   7.239  -2.816
   90   HE22  GLN  13          HE22      GLN  13  47.229   7.144  -2.764
   91    H    MET  14           H        MET  14  52.385   3.048   0.369
   92    HA   MET  14           HA       MET  14  52.183   0.986  -1.737
   93    HB2  MET  14           HB3      MET  14  54.135   1.684  -2.551
   94    HB3  MET  14           HB2      MET  14  54.126   2.997  -1.391
   95    HG2  MET  14           HG3      MET  14  55.385   1.714   0.172
   96    HG3  MET  14           HG2      MET  14  55.226   0.256  -0.821
   97    HE1  MET  14           HE1      MET  14  55.936   2.048  -3.880
   98    HE2  MET  14           HE2      MET  14  55.816   0.374  -3.336
   99    HE3  MET  14           HE3      MET  14  57.361   1.008  -3.904
  100    H    GLU  15           H        GLU  15  52.547   1.601   1.567
  101    HA   GLU  15           HA       GLU  15  53.595  -1.035   2.136
  102    HB2  GLU  15           HB3      GLU  15  53.624   1.398   3.511
  103    HB3  GLU  15           HB2      GLU  15  52.561   0.357   4.446
  104    HG2  GLU  15           HG3      GLU  15  54.334  -1.346   4.494
  105    HG3  GLU  15           HG2      GLU  15  55.402  -0.234   3.641
  106    H    GLU  16           H        GLU  16  50.605   0.889   2.138
  107    HA   GLU  16           HA       GLU  16  48.904  -0.818   3.522
  108    HB2  GLU  16           HB3      GLU  16  48.622   1.341   1.699
  109    HB3  GLU  16           HB2      GLU  16  47.557   0.053   1.153
  110    HG2  GLU  16           HG3      GLU  16  46.592  -0.058   3.420
  111    HG3  GLU  16           HG2      GLU  16  47.596   1.315   3.882
  112    H    GLU  17           H        GLU  17  50.230  -1.011   0.312
  113    HA   GLU  17           HA       GLU  17  48.933  -3.542  -0.291
  114    HB2  GLU  17           HB3      GLU  17  49.506  -3.154  -2.473
  115    HB3  GLU  17           HB2      GLU  17  49.476  -1.495  -1.904
  116    HG2  GLU  17           HG3      GLU  17  51.944  -1.754  -1.461
  117    HG3  GLU  17           HG2      GLU  17  51.860  -3.247  -2.366
  118    H    DAL  18           H        ALA  18  52.030  -2.116   0.503
  119    HA   DAL  18           HA       ALA  18  53.941  -3.008   1.353
  120    HB1  DAL  18           HB1      ALA  18  53.334  -4.579  -1.067
  121    HB2  DAL  18           HB2      ALA  18  54.538  -5.262   0.026
  122    HB3  DAL  18           HB3      ALA  18  54.772  -3.649  -0.647
  123    H    VAL  19           H        VAL  19  51.600  -3.617   2.739
  124    HA   VAL  19           HA       VAL  19  52.459  -5.799   4.356
  125    HB   VAL  19           HB       VAL  19  49.806  -4.340   4.339
  126   HG11  VAL  19          HG11      VAL  19  49.818  -5.136   6.769
  127   HG12  VAL  19          HG12      VAL  19  51.037  -6.299   6.248
  128   HG13  VAL  19          HG13      VAL  19  49.429  -6.321   5.523
  129   HG21  VAL  19          HG21      VAL  19  50.708  -2.717   5.613
  130   HG22  VAL  19          HG22      VAL  19  52.216  -3.237   4.855
  131   HG23  VAL  19          HG23      VAL  19  51.783  -3.835   6.456
  132    H    ARG  20           H        ARG  20  50.098  -5.333   1.802
  133    HA   ARG  20           HA       ARG  20  48.729  -7.784   2.099
  134    HB2  ARG  20           HB3      ARG  20  49.137  -6.088  -0.375
  135    HB3  ARG  20           HB2      ARG  20  47.992  -7.416  -0.241
  136    HG2  ARG  20           HG3      ARG  20  47.738  -5.364   1.840
  137    HG3  ARG  20           HG2      ARG  20  47.400  -4.811   0.199
  138    HD2  ARG  20           HD3      ARG  20  45.352  -5.648   0.487
  139    HD3  ARG  20           HD2      ARG  20  46.097  -7.238   0.334
  140    HE   ARG  20           HE       ARG  20  45.798  -7.565   2.586
  141   HH11  ARG  20          HH11      ARG  20  45.275  -4.195   1.839
  142   HH12  ARG  20          HH12      ARG  20  44.655  -3.815   3.412
  143   HH21  ARG  20          HH21      ARG  20  44.982  -7.066   4.652
  144   HH22  ARG  20          HH22      ARG  20  44.489  -5.444   5.009
  145    H    LEU  21           H        LEU  21  51.644  -6.810   0.367
  146    HA   LEU  21           HA       LEU  21  51.972  -9.510  -0.707
  147    HB2  LEU  21           HB3      LEU  21  53.854  -7.179  -0.969
  148    HB3  LEU  21           HB2      LEU  21  53.808  -8.634  -1.953
  149    HG   LEU  21           HG       LEU  21  51.648  -6.544  -1.852
  150   HD11  LEU  21          HD11      LEU  21  52.622  -6.513  -4.379
  151   HD12  LEU  21          HD12      LEU  21  54.090  -6.835  -3.456
  152   HD13  LEU  21          HD13      LEU  21  53.125  -5.400  -3.108
  153   HD21  LEU  21          HD21      LEU  21  51.276  -7.969  -4.136
  154   HD22  LEU  21          HD22      LEU  21  50.412  -8.245  -2.623
  155   HD23  LEU  21          HD23      LEU  21  51.826  -9.222  -3.023
  156    H    TYR  22           H        TYR  22  53.199  -7.446   1.810
  157    HA   TYR  22           HA       TYR  22  55.507  -8.967   2.459
  158    HB2  TYR  22           HB3      TYR  22  55.487  -6.806   3.355
  159    HB3  TYR  22           HB2      TYR  22  53.815  -6.919   3.851
  160    HD1  TYR  22           HD2      TYR  22  56.715  -9.151   4.536
  161    HD2  TYR  22           HD1      TYR  22  53.743  -6.541   6.083
  162    HE1  TYR  22           HE2      TYR  22  57.410  -9.723   6.823
  163    HE2  TYR  22           HE1      TYR  22  54.414  -7.097   8.364
  164    HH   TYR  22           HH       TYR  22  55.565  -8.830   9.585
  165    H    ILE  23           H        ILE  23  52.207  -8.781   3.634
  166    HA   ILE  23           HA       ILE  23  52.432 -10.926   5.462
  167    HB   ILE  23           HB       ILE  23  50.005  -9.783   4.057
  168   HG12  ILE  23          HG12      ILE  23  51.349  -8.292   5.620
  169   HG13  ILE  23          HG13      ILE  23  49.648  -8.494   6.022
  170   HG21  ILE  23          HG21      ILE  23  49.600 -12.063   4.780
  171   HG22  ILE  23          HG22      ILE  23  48.695 -10.922   5.775
  172   HG23  ILE  23          HG23      ILE  23  50.169 -11.662   6.400
  173   HD11  ILE  23          HD11      ILE  23  50.333 -10.226   7.679
  174   HD12  ILE  23          HD12      ILE  23  50.915  -8.599   8.032
  175   HD13  ILE  23          HD13      ILE  23  52.011  -9.798   7.344
  176    H    GLN  24           H        GLN  24  51.876 -10.595   2.021
  177    HA   GLN  24           HA       GLN  24  50.978 -13.255   1.508
  178    HB2  GLN  24           HB3      GLN  24  50.856 -11.291  -0.096
  179    HB3  GLN  24           HB2      GLN  24  52.578 -11.486  -0.355
  180    HG2  GLN  24           HG3      GLN  24  51.499 -12.570  -2.143
  181    HG3  GLN  24           HG2      GLN  24  52.106 -13.838  -1.075
  182   HE21  GLN  24          HE21      GLN  24  50.730 -15.464  -1.186
  183   HE22  GLN  24          HE22      GLN  24  49.012 -15.350  -1.043
  184    H    TRP  25           H        TRP  25  54.106 -11.621   1.450
  185    HA   TRP  25           HA       TRP  25  55.789 -13.752   0.794
  186    HB2  TRP  25           HB3      TRP  25  56.651 -11.498   0.898
  187    HB3  TRP  25           HB2      TRP  25  56.191 -11.348   2.591
  188    HD1  TRP  25           HD1      TRP  25  58.779 -13.087   0.360
  189    HE1  TRP  25           HE1      TRP  25  60.787 -13.736   1.821
  190    HE3  TRP  25           HE3      TRP  25  56.896 -11.812   4.918
  191    HZ2  TRP  25           HZ2      TRP  25  61.494 -13.692   4.565
  192    HZ3  TRP  25           HZ3      TRP  25  58.299 -12.130   6.911
  193    HH2  TRP  25           HH2      TRP  25  60.543 -13.065   6.735
  194    H    LEU  26           H        LEU  26  54.100 -12.864   3.683
  195    HA   LEU  26           HA       LEU  26  55.434 -14.818   5.353
  196    HB2  LEU  26           HB3      LEU  26  53.411 -12.666   5.742
  197    HB3  LEU  26           HB2      LEU  26  53.424 -13.984   6.890
  198    HG   LEU  26           HG       LEU  26  55.512 -11.893   6.408
  199   HD11  LEU  26          HD11      LEU  26  55.310 -11.508   8.724
  200   HD12  LEU  26          HD12      LEU  26  54.451 -13.029   8.978
  201   HD13  LEU  26          HD13      LEU  26  53.662 -11.702   8.125
  202   HD21  LEU  26          HD21      LEU  26  56.801 -13.894   6.306
  203   HD22  LEU  26          HD22      LEU  26  55.926 -14.597   7.664
  204   HD23  LEU  26          HD23      LEU  26  56.998 -13.220   7.921
  205    H    LYS  27           H        LYS  27  52.443 -14.452   3.551
  206    HA   LYS  27           HA       LYS  27  50.834 -16.367   4.710
  207    HB2  LYS  27           HB3      LYS  27  51.152 -15.360   1.920
  208    HB3  LYS  27           HB2      LYS  27  50.170 -16.796   2.171
  209    HG2  LYS  27           HG3      LYS  27  49.304 -15.002   4.112
  210    HG3  LYS  27           HG2      LYS  27  49.542 -14.025   2.663
  211    HD2  LYS  27           HD3      LYS  27  47.480 -14.721   2.109
  212    HD3  LYS  27           HD2      LYS  27  48.288 -16.221   1.644
  213    HE2  LYS  27           HE2      LYS  27  46.984 -17.269   3.111
  214    HE3  LYS  27           HE3      LYS  27  47.884 -16.455   4.388
  215    HZ1  LYS  27           HZ1      LYS  27  45.216 -15.933   3.383
  216    HZ2  LYS  27           HZ2      LYS  27  46.144 -14.556   3.706
  217    HZ3  LYS  27           HZ3      LYS  27  45.859 -15.690   4.930
  218    H    GLU  28           H        GLU  28  53.709 -16.809   2.820
  219    HA   GLU  28           HA       GLU  28  53.264 -19.695   2.658
  220    HB2  GLU  28           HB3      GLU  28  55.671 -18.277   1.558
  221    HB3  GLU  28           HB2      GLU  28  54.933 -19.779   1.018
  222    HG2  GLU  28           HG3      GLU  28  52.912 -18.023   0.590
  223    HG3  GLU  28           HG2      GLU  28  54.322 -17.003   0.298
  224    H    GLY  29           H        GLY  29  55.118 -17.307   4.377
  225    HA2  GLY  29           HA3      GLY  29  55.920 -18.122   6.579
  226    HA3  GLY  29           HA2      GLY  29  56.629 -19.477   5.692
  227    H    GLY  30           H        GLY  30  56.627 -16.337   4.280
  228    HA2  GLY  30           HA3      GLY  30  58.602 -15.429   3.300
  229    HA3  GLY  30           HA2      GLY  30  58.467 -14.725   4.894
  230    HA   PRO  31           HA       PRO  31  62.440 -16.229   5.873
  231    HB2  PRO  31           HB3      PRO  31  62.235 -16.637   8.535
  232    HB3  PRO  31           HB2      PRO  31  62.179 -15.021   7.822
  233    HG2  PRO  31           HG3      PRO  31  59.922 -16.763   8.737
  234    HG3  PRO  31           HG2      PRO  31  60.158 -15.025   8.976
  235    HD2  PRO  31           HD3      PRO  31  58.539 -16.074   7.067
  236    HD3  PRO  31           HD2      PRO  31  59.332 -14.525   6.903
  237    H    SER  32           H        SER  32  61.330 -18.278   4.598
  238    HA   SER  32           HA       SER  32  62.521 -20.555   5.708
  239    HB2  SER  32           HB3      SER  32  59.643 -20.156   6.350
  240    HB3  SER  32           HB2      SER  32  60.143 -21.779   5.874
  241    HG   SER  32           HG       SER  32  60.283 -20.973   8.227
  242    H    SER  33           H        SER  33  59.916 -19.370   3.632
  243    HA   SER  33           HA       SER  33  59.800 -21.514   1.845
  244    HB2  SER  33           HB3      SER  33  58.238 -19.480   2.030
  245    HB3  SER  33           HB2      SER  33  59.410 -18.643   1.004
  246    HG   SER  33           HG       SER  33  59.108 -20.382  -0.518
  247    H    GLY  34           H        GLY  34  61.976 -18.759   2.005
  248    HA2  GLY  34           HA3      GLY  34  64.235 -19.012   1.182
  249    HA3  GLY  34           HA2      GLY  34  63.597 -20.032  -0.106
  250    H    ARG  35           H        ARG  35  62.922 -16.756   1.140
  251    HA   ARG  35           HA       ARG  35  63.662 -15.586  -1.393
  252    HB2  ARG  35           HB3      ARG  35  61.452 -14.468  -1.693
  253    HB3  ARG  35           HB2      ARG  35  61.416 -16.206  -1.950
  254    HG2  ARG  35           HG3      ARG  35  60.832 -15.913   0.736
  255    HG3  ARG  35           HG2      ARG  35  59.987 -14.582  -0.044
  256    HD2  ARG  35           HD3      ARG  35  59.724 -17.523  -0.615
  257    HD3  ARG  35           HD2      ARG  35  58.491 -16.429   0.005
  258    HE   ARG  35           HE       ARG  35  58.254 -15.505  -2.147
  259   HH11  ARG  35          HH11      ARG  35  60.557 -18.137  -2.088
  260   HH12  ARG  35          HH12      ARG  35  60.505 -18.378  -3.801
  261   HH21  ARG  35          HH21      ARG  35  58.193 -15.828  -4.395
  262   HH22  ARG  35          HH22      ARG  35  59.168 -17.070  -5.108
  263    HA   PRO  36           HA       PRO  36  64.592 -12.220   1.305
  264    HB2  PRO  36           HB3      PRO  36  64.859 -10.210  -0.441
  265    HB3  PRO  36           HB2      PRO  36  65.990 -11.571  -0.424
  266    HG2  PRO  36           HG3      PRO  36  63.643 -11.082  -2.220
  267    HG3  PRO  36           HG2      PRO  36  65.275 -11.630  -2.643
  268    HD2  PRO  36           HD3      PRO  36  63.151 -13.321  -2.364
  269    HD3  PRO  36           HD2      PRO  36  64.832 -13.809  -2.050
  270    HA   PRO  37           HA       PRO  37  60.283 -10.923   2.105
  271    HB2  PRO  37           HB3      PRO  37  61.314  -9.292   4.218
  272    HB3  PRO  37           HB2      PRO  37  60.437 -10.820   4.349
  273    HG2  PRO  37           HG3      PRO  37  63.327 -10.293   4.514
  274    HG3  PRO  37           HG2      PRO  37  62.396 -11.660   5.139
  275    HD2  PRO  37           HD3      PRO  37  64.063 -11.855   3.008
  276    HD3  PRO  37           HD2      PRO  37  62.609 -12.856   3.183
  277    HA   PRO  38           HA       PRO  38  60.332  -6.980   0.107
  278    HB2  PRO  38           HB3      PRO  38  57.920  -6.027   0.841
  279    HB3  PRO  38           HB2      PRO  38  58.095  -7.379  -0.286
  280    HG2  PRO  38           HG3      PRO  38  57.481  -7.429   2.644
  281    HG3  PRO  38           HG2      PRO  38  56.741  -8.353   1.329
  282    HD2  PRO  38           HD3      PRO  38  58.644  -9.387   2.964
  283    HD3  PRO  38           HD2      PRO  38  58.447  -9.892   1.274
  284    H    SER  39           H        SER  39  59.328  -4.609   0.828
  285    HA   SER  39           HA       SER  39  60.410  -3.994   3.489
  286    HB2  SER  39           HB3      SER  39  60.923  -2.162   1.160
  287    HB3  SER  39           HB2      SER  39  61.751  -2.231   2.715
  288    HG   SER  39           HG       SER  39  63.054  -3.174   1.156
  Start of MODEL    3
    1    H1   HIS   1           H1       HIS   1  68.088   4.130   3.911
    2    H2   HIS   1           H2       HIS   1  67.017   3.226   2.920
    3    H3   HIS   1           H3       HIS   1  67.641   4.725   2.366
    4    HA   HIS   1           HA       HIS   1  69.372   2.459   3.046
    5    HB2  HIS   1           HB3      HIS   1  67.458   2.169   1.210
    6    HB3  HIS   1           HB2      HIS   1  68.616   3.054   0.222
    7    HD1  HIS   1           HD1      HIS   1  71.237   1.783   1.124
    8    HD2  HIS   1           HD2      HIS   1  67.777  -0.384   0.347
    9    HE1  HIS   1           HE1      HIS   1  72.009  -0.554   0.607
   10    HE2  HIS   1           HE2      HIS   1  69.892  -1.866   0.223
   11    H    GLY   2           H        GLY   2  69.652   5.309   3.519
   12    HA2  GLY   2           HA3      GLY   2  72.219   5.813   2.812
   13    HA3  GLY   2           HA2      GLY   2  71.316   6.366   1.410
   14    H    GLU   3           H        GLU   3  69.514   7.924   1.892
   15    HA   GLU   3           HA       GLU   3  70.203   9.658   4.171
   16    HB2  GLU   3           HB3      GLU   3  69.620  11.603   2.679
   17    HB3  GLU   3           HB2      GLU   3  71.101  10.756   2.257
   18    HG2  GLU   3           HG3      GLU   3  69.649   9.447   0.602
   19    HG3  GLU   3           HG2      GLU   3  68.454  10.717   0.861
   20    H    GLY   4           H        GLY   4  67.714   8.938   1.727
   21    HA2  GLY   4           HA3      GLY   4  65.426   8.851   1.888
   22    HA3  GLY   4           HA2      GLY   4  65.652   8.607   3.613
   23    H    THR   5           H        THR   5  63.621  10.167   2.184
   24    HA   THR   5           HA       THR   5  63.779  12.539   3.806
   25    HB   THR   5           HB       THR   5  63.195  13.879   1.562
   26    HG1  THR   5           HG1      THR   5  64.591  13.143  -0.091
   27   HG21  THR   5          HG21      THR   5  66.082  13.331   2.133
   28   HG22  THR   5          HG22      THR   5  65.080  14.276   3.232
   29   HG23  THR   5          HG23      THR   5  65.323  14.821   1.574
   30    H    PHE   6           H        PHE   6  62.100  10.910   1.137
   31    HA   PHE   6           HA       PHE   6  59.545  11.944   2.120
   32    HB2  PHE   6           HB3      PHE   6  58.642  10.897   0.004
   33    HB3  PHE   6           HB2      PHE   6  59.791  12.209  -0.236
   34    HD1  PHE   6           HD1      PHE   6  59.226   8.611  -0.533
   35    HD2  PHE   6           HD2      PHE   6  61.985  11.791  -1.150
   36    HE1  PHE   6           HE1      PHE   6  60.598   7.141  -1.953
   37    HE2  PHE   6           HE2      PHE   6  63.361  10.329  -2.571
   38    HZ   PHE   6           HZ       PHE   6  62.667   8.000  -2.974
   39    H    THR   7           H        THR   7  57.991  10.689   3.006
   40    HA   THR   7           HA       THR   7  57.982   7.836   2.824
   41    HB   THR   7           HB       THR   7  58.806   9.120   5.436
   42    HG1  THR   7           HG1      THR   7  60.088   7.386   3.614
   43   HG21  THR   7          HG21      THR   7  58.117   7.360   6.579
   44   HG22  THR   7          HG22      THR   7  58.915   6.259   5.456
   45   HG23  THR   7          HG23      THR   7  57.270   6.806   5.135
   46    H    SER   8           H        SER   8  55.900   8.857   2.032
   47    HA   SER   8           HA       SER   8  54.017   9.003   4.286
   48    HB2  SER   8           HB3      SER   8  54.421  10.935   2.071
   49    HB3  SER   8           HB2      SER   8  52.752  10.586   2.518
   50    HG   SER   8           HG       SER   8  53.511  11.022   4.748
   51    H    ASP   9           H        ASP   9  54.425   8.328   0.818
   52    HA   ASP   9           HA       ASP   9  51.919   6.792   0.901
   53    HB2  ASP   9           HB3      ASP   9  53.491   7.587  -1.554
   54    HB3  ASP   9           HB2      ASP   9  51.853   6.940  -1.500
   55    H    LEU  10           H        LEU  10  54.546   5.909   1.939
   56    HA   LEU  10           HA       LEU  10  54.538   3.392   0.464
   57    HB2  LEU  10           HB3      LEU  10  56.965   3.137   1.107
   58    HB3  LEU  10           HB2      LEU  10  56.585   4.235  -0.208
   59    HG   LEU  10           HG       LEU  10  58.347   5.056   1.372
   60   HD11  LEU  10          HD11      LEU  10  57.774   7.198   0.955
   61   HD12  LEU  10          HD12      LEU  10  56.149   7.005   1.610
   62   HD13  LEU  10          HD13      LEU  10  56.517   6.431  -0.015
   63   HD21  LEU  10          HD21      LEU  10  56.132   5.658   3.292
   64   HD22  LEU  10          HD22      LEU  10  57.875   5.676   3.555
   65   HD23  LEU  10          HD23      LEU  10  57.026   4.140   3.390
   66    H    SER  11           H        SER  11  53.410   4.660   2.959
   67    HA   SER  11           HA       SER  11  54.102   2.470   4.756
   68    HB2  SER  11           HB3      SER  11  54.993   4.352   5.859
   69    HB3  SER  11           HB2      SER  11  53.662   5.380   5.331
   70    H    LYS  12           H        LYS  12  51.733   4.550   3.365
   71    HA   LYS  12           HA       LYS  12  49.572   2.887   4.451
   72    HB2  LYS  12           HB3      LYS  12  49.828   5.832   4.017
   73    HB3  LYS  12           HB2      LYS  12  48.260   5.052   4.025
   74    HG2  LYS  12           HG3      LYS  12  48.274   4.783   6.247
   75    HG3  LYS  12           HG2      LYS  12  49.970   4.287   6.234
   76    HD2  LYS  12           HD3      LYS  12  49.883   6.313   7.468
   77    HD3  LYS  12           HD2      LYS  12  50.565   6.710   5.886
   78    HE2  LYS  12           HE2      LYS  12  48.690   7.855   5.217
   79    HE3  LYS  12           HE3      LYS  12  47.619   6.931   6.271
   80    HZ1  LYS  12           HZ1      LYS  12  48.697   8.105   8.173
   81    HZ2  LYS  12           HZ2      LYS  12  47.789   9.105   7.156
   82    HZ3  LYS  12           HZ3      LYS  12  49.477   9.106   7.052
   83    H    GLN  13           H        GLN  13  51.177   4.008   1.727
   84    HA   GLN  13           HA       GLN  13  48.882   3.323   0.025
   85    HB2  GLN  13           HB3      GLN  13  49.475   5.690  -0.096
   86    HB3  GLN  13           HB2      GLN  13  51.114   5.254  -0.546
   87    HG2  GLN  13           HG3      GLN  13  50.566   4.896  -2.687
   88    HG3  GLN  13           HG2      GLN  13  49.053   4.094  -2.266
   89   HE21  GLN  13          HE21      GLN  13  48.888   5.610  -4.379
   90   HE22  GLN  13          HE22      GLN  13  48.102   7.124  -4.050
   91    H    MET  14           H        MET  14  52.404   3.104   0.396
   92    HA   MET  14           HA       MET  14  52.326   1.059  -1.738
   93    HB2  MET  14           HB3      MET  14  54.298   1.809  -2.459
   94    HB3  MET  14           HB2      MET  14  54.225   3.096  -1.273
   95    HG2  MET  14           HG3      MET  14  55.425   1.793   0.318
   96    HG3  MET  14           HG2      MET  14  55.335   0.359  -0.720
   97    HE1  MET  14           HE1      MET  14  57.743   0.853  -3.473
   98    HE2  MET  14           HE2      MET  14  56.292   0.079  -2.838
   99    HE3  MET  14           HE3      MET  14  57.856  -0.219  -2.076
  100    H    GLU  15           H        GLU  15  52.568   1.645   1.590
  101    HA   GLU  15           HA       GLU  15  53.631  -0.982   2.154
  102    HB2  GLU  15           HB3      GLU  15  53.584   1.435   3.561
  103    HB3  GLU  15           HB2      GLU  15  52.533   0.352   4.462
  104    HG2  GLU  15           HG3      GLU  15  54.346  -1.306   4.516
  105    HG3  GLU  15           HG2      GLU  15  55.397  -0.161   3.685
  106    H    GLU  16           H        GLU  16  50.613   0.900   2.107
  107    HA   GLU  16           HA       GLU  16  48.906  -0.842   3.433
  108    HB2  GLU  16           HB3      GLU  16  48.627   1.326   1.621
  109    HB3  GLU  16           HB2      GLU  16  47.598   0.025   1.040
  110    HG2  GLU  16           HG3      GLU  16  46.591  -0.123   3.291
  111    HG3  GLU  16           HG2      GLU  16  47.553   1.269   3.778
  112    H    GLU  17           H        GLU  17  50.289  -0.986   0.240
  113    HA   GLU  17           HA       GLU  17  49.028  -3.515  -0.424
  114    HB2  GLU  17           HB3      GLU  17  49.709  -3.117  -2.576
  115    HB3  GLU  17           HB2      GLU  17  49.638  -1.463  -1.996
  116    HG2  GLU  17           HG3      GLU  17  52.084  -1.719  -1.426
  117    HG3  GLU  17           HG2      GLU  17  52.051  -3.190  -2.366
  118    H    DAL  18           H        ALA  18  52.096  -2.116   0.511
  119    HA   DAL  18           HA       ALA  18  53.965  -3.027   1.426
  120    HB1  DAL  18           HB1      ALA  18  53.453  -4.571  -1.036
  121    HB2  DAL  18           HB2      ALA  18  54.624  -5.252   0.092
  122    HB3  DAL  18           HB3      ALA  18  54.865  -3.630  -0.557
  123    H    VAL  19           H        VAL  19  51.675  -3.602   2.808
  124    HA   VAL  19           HA       VAL  19  52.452  -5.840   4.370
  125    HB   VAL  19           HB       VAL  19  49.795  -4.389   4.354
  126   HG11  VAL  19          HG11      VAL  19  51.051  -6.392   6.172
  127   HG12  VAL  19          HG12      VAL  19  49.382  -6.268   5.615
  128   HG13  VAL  19          HG13      VAL  19  49.985  -5.159   6.847
  129   HG21  VAL  19          HG21      VAL  19  52.201  -3.244   4.841
  130   HG22  VAL  19          HG22      VAL  19  51.764  -3.807   6.453
  131   HG23  VAL  19          HG23      VAL  19  50.683  -2.723   5.574
  132    H    ARG  20           H        ARG  20  50.167  -5.320   1.758
  133    HA   ARG  20           HA       ARG  20  48.741  -7.750   2.037
  134    HB2  ARG  20           HB3      ARG  20  49.191  -6.027  -0.411
  135    HB3  ARG  20           HB2      ARG  20  48.048  -7.358  -0.318
  136    HG2  ARG  20           HG3      ARG  20  47.287  -5.884   1.822
  137    HG3  ARG  20           HG2      ARG  20  47.856  -4.624   0.727
  138    HD2  ARG  20           HD3      ARG  20  46.391  -6.231  -0.938
  139    HD3  ARG  20           HD2      ARG  20  45.483  -6.327   0.571
  140    HE   ARG  20           HE       ARG  20  45.935  -3.668   0.262
  141   HH11  ARG  20          HH11      ARG  20  44.545  -6.133  -1.781
  142   HH12  ARG  20          HH12      ARG  20  43.482  -5.034  -2.595
  143   HH21  ARG  20          HH21      ARG  20  44.537  -2.223  -0.805
  144   HH22  ARG  20          HH22      ARG  20  43.477  -2.815  -2.042
  145    H    LEU  21           H        LEU  21  51.682  -6.814   0.314
  146    HA   LEU  21           HA       LEU  21  51.961  -9.533  -0.733
  147    HB2  LEU  21           HB3      LEU  21  53.856  -7.224  -1.065
  148    HB3  LEU  21           HB2      LEU  21  53.788  -8.699  -2.020
  149    HG   LEU  21           HG       LEU  21  51.625  -6.612  -1.923
  150   HD11  LEU  21          HD11      LEU  21  52.507  -5.605  -3.752
  151   HD12  LEU  21          HD12      LEU  21  53.201  -7.104  -4.373
  152   HD13  LEU  21          HD13      LEU  21  54.009  -6.231  -3.071
  153   HD21  LEU  21          HD21      LEU  21  50.356  -7.947  -3.191
  154   HD22  LEU  21          HD22      LEU  21  51.392  -9.245  -2.601
  155   HD23  LEU  21          HD23      LEU  21  51.725  -8.491  -4.160
  156    H    TYR  22           H        TYR  22  53.196  -7.475   1.767
  157    HA   TYR  22           HA       TYR  22  55.513  -8.985   2.403
  158    HB2  TYR  22           HB3      TYR  22  55.475  -6.803   3.272
  159    HB3  TYR  22           HB2      TYR  22  53.821  -6.948   3.818
  160    HD1  TYR  22           HD1      TYR  22  56.756  -9.153   4.420
  161    HD2  TYR  22           HD2      TYR  22  53.833  -6.539   6.046
  162    HE1  TYR  22           HE1      TYR  22  57.527  -9.711   6.685
  163    HE2  TYR  22           HE2      TYR  22  54.582  -7.078   8.307
  164    HH   TYR  22           HH       TYR  22  57.474  -8.558   8.990
  165    H    ILE  23           H        ILE  23  52.231  -8.773   3.618
  166    HA   ILE  23           HA       ILE  23  52.447 -10.909   5.454
  167    HB   ILE  23           HB       ILE  23  50.030  -9.746   4.050
  168   HG12  ILE  23          HG12      ILE  23  51.385  -8.276   5.616
  169   HG13  ILE  23          HG13      ILE  23  49.684  -8.461   6.017
  170   HG21  ILE  23          HG21      ILE  23  50.334 -12.001   5.906
  171   HG22  ILE  23          HG22      ILE  23  49.077 -11.666   4.714
  172   HG23  ILE  23          HG23      ILE  23  49.042 -10.862   6.284
  173   HD11  ILE  23          HD11      ILE  23  51.933  -8.927   7.644
  174   HD12  ILE  23          HD12      ILE  23  51.166 -10.490   7.353
  175   HD13  ILE  23          HD13      ILE  23  50.229  -9.162   8.040
  176    H    GLN  24           H        GLN  24  51.867 -10.605   2.012
  177    HA   GLN  24           HA       GLN  24  50.947 -13.259   1.529
  178    HB2  GLN  24           HB3      GLN  24  50.842 -11.310  -0.092
  179    HB3  GLN  24           HB2      GLN  24  52.561 -11.533  -0.359
  180    HG2  GLN  24           HG3      GLN  24  51.441 -12.619  -2.128
  181    HG3  GLN  24           HG2      GLN  24  52.066 -13.878  -1.060
  182   HE21  GLN  24          HE21      GLN  24  50.697 -15.504  -1.069
  183   HE22  GLN  24          HE22      GLN  24  48.979 -15.392  -0.921
  184    H    TRP  25           H        TRP  25  54.089 -11.661   1.384
  185    HA   TRP  25           HA       TRP  25  55.750 -13.814   0.760
  186    HB2  TRP  25           HB3      TRP  25  56.626 -11.568   0.808
  187    HB3  TRP  25           HB2      TRP  25  56.183 -11.375   2.502
  188    HD1  TRP  25           HD1      TRP  25  58.736 -13.188   0.288
  189    HE1  TRP  25           HE1      TRP  25  60.762 -13.803   1.739
  190    HE3  TRP  25           HE3      TRP  25  56.921 -11.770   4.833
  191    HZ2  TRP  25           HZ2      TRP  25  61.506 -13.678   4.469
  192    HZ3  TRP  25           HZ3      TRP  25  58.353 -12.032   6.814
  193    HH2  TRP  25           HH2      TRP  25  60.590 -12.984   6.632
  194    H    LEU  26           H        LEU  26  54.111 -12.866   3.660
  195    HA   LEU  26           HA       LEU  26  55.467 -14.795   5.339
  196    HB2  LEU  26           HB3      LEU  26  53.439 -12.643   5.732
  197    HB3  LEU  26           HB2      LEU  26  53.506 -13.933   6.908
  198    HG   LEU  26           HG       LEU  26  55.574 -11.854   6.298
  199   HD11  LEU  26          HD11      LEU  26  53.763 -11.563   8.035
  200   HD12  LEU  26          HD12      LEU  26  55.422 -11.372   8.603
  201   HD13  LEU  26          HD13      LEU  26  54.543 -12.865   8.933
  202   HD21  LEU  26          HD21      LEU  26  56.860 -13.851   6.264
  203   HD22  LEU  26          HD22      LEU  26  55.996 -14.507   7.652
  204   HD23  LEU  26          HD23      LEU  26  57.071 -13.126   7.856
  205    H    LYS  27           H        LYS  27  52.454 -14.455   3.574
  206    HA   LYS  27           HA       LYS  27  50.843 -16.333   4.776
  207    HB2  LYS  27           HB3      LYS  27  51.009 -15.085   2.185
  208    HB3  LYS  27           HB2      LYS  27  50.535 -16.766   2.007
  209    HG2  LYS  27           HG3      LYS  27  48.528 -16.454   3.003
  210    HG3  LYS  27           HG2      LYS  27  49.140 -15.207   4.094
  211    HD2  LYS  27           HD3      LYS  27  48.673 -13.534   2.651
  212    HD3  LYS  27           HD2      LYS  27  49.136 -14.487   1.239
  213    HE2  LYS  27           HE2      LYS  27  47.041 -15.276   0.916
  214    HE3  LYS  27           HE3      LYS  27  46.688 -15.350   2.642
  215    HZ1  LYS  27           HZ1      LYS  27  46.356 -13.127   0.772
  216    HZ2  LYS  27           HZ2      LYS  27  46.757 -12.753   2.371
  217    HZ3  LYS  27           HZ3      LYS  27  45.352 -13.633   2.037
  218    H    GLU  28           H        GLU  28  53.689 -16.838   2.842
  219    HA   GLU  28           HA       GLU  28  53.257 -19.728   2.788
  220    HB2  GLU  28           HB3      GLU  28  55.672 -18.365   1.648
  221    HB3  GLU  28           HB2      GLU  28  54.900 -19.859   1.137
  222    HG2  GLU  28           HG3      GLU  28  52.949 -17.934   0.755
  223    HG3  GLU  28           HG2      GLU  28  54.444 -17.140   0.263
  224    H    GLY  29           H        GLY  29  55.125 -17.289   4.418
  225    HA2  GLY  29           HA3      GLY  29  55.928 -18.041   6.648
  226    HA3  GLY  29           HA2      GLY  29  56.638 -19.417   5.797
  227    H    GLY  30           H        GLY  30  56.632 -16.324   4.287
  228    HA2  GLY  30           HA3      GLY  30  58.595 -15.427   3.289
  229    HA3  GLY  30           HA2      GLY  30  58.481 -14.699   4.874
  230    HA   PRO  31           HA       PRO  31  62.460 -16.221   5.813
  231    HB2  PRO  31           HB3      PRO  31  62.308 -16.480   8.494
  232    HB3  PRO  31           HB2      PRO  31  62.254 -14.903   7.698
  233    HG2  PRO  31           HG3      PRO  31  60.004 -16.559   8.766
  234    HG3  PRO  31           HG2      PRO  31  60.259 -14.811   8.887
  235    HD2  PRO  31           HD3      PRO  31  58.589 -15.980   7.082
  236    HD3  PRO  31           HD2      PRO  31  59.364 -14.435   6.822
  237    H    SER  32           H        SER  32  61.131 -18.317   4.712
  238    HA   SER  32           HA       SER  32  62.299 -20.558   6.029
  239    HB2  SER  32           HB3      SER  32  59.301 -20.726   5.780
  240    HB3  SER  32           HB2      SER  32  60.392 -21.782   6.678
  241    HG   SER  32           HG       SER  32  60.302 -20.465   8.315
  242    H    SER  33           H        SER  33  59.889 -19.491   3.657
  243    HA   SER  33           HA       SER  33  59.990 -21.713   1.966
  244    HB2  SER  33           HB3      SER  33  58.547 -19.412   1.997
  245    HB3  SER  33           HB2      SER  33  59.642 -19.091   0.647
  246    HG   SER  33           HG       SER  33  58.768 -20.702  -0.469
  247    H    GLY  34           H        GLY  34  61.474 -18.548   1.235
  248    HA2  GLY  34           HA3      GLY  34  64.051 -18.961   0.914
  249    HA3  GLY  34           HA2      GLY  34  63.449 -19.936  -0.426
  250    H    ARG  35           H        ARG  35  63.016 -16.665   0.939
  251    HA   ARG  35           HA       ARG  35  63.749 -15.438  -1.541
  252    HB2  ARG  35           HB3      ARG  35  61.538 -14.231  -1.790
  253    HB3  ARG  35           HB2      ARG  35  61.549 -15.926  -2.256
  254    HG2  ARG  35           HG3      ARG  35  60.836 -16.015   0.395
  255    HG3  ARG  35           HG2      ARG  35  60.038 -14.560  -0.195
  256    HD2  ARG  35           HD3      ARG  35  59.817 -17.329  -1.364
  257    HD3  ARG  35           HD2      ARG  35  58.573 -16.476  -0.449
  258    HE   ARG  35           HE       ARG  35  59.004 -14.791  -2.481
  259   HH11  ARG  35          HH11      ARG  35  58.470 -18.241  -2.429
  260   HH12  ARG  35          HH12      ARG  35  57.721 -18.273  -3.989
  261   HH21  ARG  35          HH21      ARG  35  58.022 -14.834  -4.534
  262   HH22  ARG  35          HH22      ARG  35  57.468 -16.339  -5.185
  263    HA   PRO  36           HA       PRO  36  64.604 -12.140   1.261
  264    HB2  PRO  36           HB3      PRO  36  64.885 -10.072  -0.406
  265    HB3  PRO  36           HB2      PRO  36  66.008 -11.438  -0.444
  266    HG2  PRO  36           HG3      PRO  36  63.676 -10.856  -2.227
  267    HG3  PRO  36           HG2      PRO  36  65.300 -11.416  -2.662
  268    HD2  PRO  36           HD3      PRO  36  63.122 -13.067  -2.430
  269    HD3  PRO  36           HD2      PRO  36  64.800 -13.604  -2.189
  270    HA   PRO  37           HA       PRO  37  60.311 -10.872   2.130
  271    HB2  PRO  37           HB3      PRO  37  61.363  -9.205   4.209
  272    HB3  PRO  37           HB2      PRO  37  60.506 -10.742   4.369
  273    HG2  PRO  37           HG3      PRO  37  63.393 -10.184   4.470
  274    HG3  PRO  37           HG2      PRO  37  62.486 -11.557   5.125
  275    HD2  PRO  37           HD3      PRO  37  64.113 -11.757   2.965
  276    HD3  PRO  37           HD2      PRO  37  62.667 -12.763   3.172
  277    HA   PRO  38           HA       PRO  38  60.305  -6.946   0.082
  278    HB2  PRO  38           HB3      PRO  38  57.828  -6.095   0.690
  279    HB3  PRO  38           HB2      PRO  38  58.106  -7.466  -0.393
  280    HG2  PRO  38           HG3      PRO  38  57.381  -7.471   2.511
  281    HG3  PRO  38           HG2      PRO  38  56.724  -8.455   1.193
  282    HD2  PRO  38           HD3      PRO  38  58.614  -9.363   2.926
  283    HD3  PRO  38           HD2      PRO  38  58.482  -9.931   1.250
  284    H    SER  39           H        SER  39  59.152  -4.624   0.749
  285    HA   SER  39           HA       SER  39  60.890  -3.542   2.695
  286    HB2  SER  39           HB3      SER  39  59.726  -2.379   0.688
  287    HB3  SER  39           HB2      SER  39  58.373  -2.160   1.797
  288    HG   SER  39           HG       SER  39  59.455  -0.453   2.380
  Start of MODEL    4
    1    H1   HIS   1           H1       HIS   1  51.744  22.559  12.151
    2    H2   HIS   1           H2       HIS   1  52.672  21.170  12.545
    3    H3   HIS   1           H3       HIS   1  51.058  20.997  11.988
    4    HA   HIS   1           HA       HIS   1  51.585  21.640   9.863
    5    HB2  HIS   1           HB3      HIS   1  53.160  23.464  10.913
    6    HB3  HIS   1           HB2      HIS   1  54.416  22.264  10.624
    7    HD1  HIS   1           HD1      HIS   1  55.597  23.515   8.761
    8    HD2  HIS   1           HD2      HIS   1  51.551  22.925   8.022
    9    HE1  HIS   1           HE1      HIS   1  55.251  24.172   6.359
   10    HE2  HIS   1           HE2      HIS   1  52.812  23.724   5.911
   11    H    GLY   2           H        GLY   2  51.359  19.483   9.402
   12    HA2  GLY   2           HA3      GLY   2  53.840  17.883   9.535
   13    HA3  GLY   2           HA2      GLY   2  52.268  17.190   9.906
   14    H    GLU   3           H        GLU   3  51.473  15.991   8.325
   15    HA   GLU   3           HA       GLU   3  50.991  15.169   6.261
   16    HB2  GLU   3           HB3      GLU   3  51.379  18.073   5.526
   17    HB3  GLU   3           HB2      GLU   3  50.790  16.857   4.402
   18    HG2  GLU   3           HG3      GLU   3  48.872  16.439   5.854
   19    HG3  GLU   3           HG2      GLU   3  49.463  17.658   6.982
   20    H    GLY   4           H        GLY   4  51.896  15.163   3.859
   21    HA2  GLY   4           HA3      GLY   4  54.845  15.229   4.022
   22    HA3  GLY   4           HA2      GLY   4  53.994  13.849   3.350
   23    H    THR   5           H        THR   5  55.896  15.080   1.850
   24    HA   THR   5           HA       THR   5  54.319  16.014  -0.393
   25    HB   THR   5           HB       THR   5  55.991  17.957  -0.707
   26    HG1  THR   5           HG1      THR   5  56.770  18.764   1.299
   27   HG21  THR   5          HG21      THR   5  53.493  17.958   0.281
   28   HG22  THR   5          HG22      THR   5  54.468  19.412   0.065
   29   HG23  THR   5          HG23      THR   5  54.374  18.641   1.649
   30    H    PHE   6           H        PHE   6  56.026  13.713   0.321
   31    HA   PHE   6           HA       PHE   6  57.313  13.341  -2.137
   32    HB2  PHE   6           HB3      PHE   6  59.660  13.410  -1.510
   33    HB3  PHE   6           HB2      PHE   6  58.926  14.984  -1.222
   34    HD1  PHE   6           HD1      PHE   6  57.854  15.120   1.278
   35    HD2  PHE   6           HD2      PHE   6  61.149  12.714   0.070
   36    HE1  PHE   6           HE1      PHE   6  58.665  15.070   3.600
   37    HE2  PHE   6           HE2      PHE   6  61.966  12.659   2.390
   38    HZ   PHE   6           HZ       PHE   6  60.721  13.838   4.159
   39    H    THR   7           H        THR   7  57.273  12.517   1.292
   40    HA   THR   7           HA       THR   7  57.128   9.688   0.554
   41    HB   THR   7           HB       THR   7  58.784  10.464   2.926
   42    HG1  THR   7           HG1      THR   7  60.616  10.447   1.554
   43   HG21  THR   7          HG21      THR   7  60.038   8.418   2.276
   44   HG22  THR   7          HG22      THR   7  58.815   8.130   1.035
   45   HG23  THR   7          HG23      THR   7  58.359   8.132   2.739
   46    H    SER   8           H        SER   8  55.083   9.295   1.198
   47    HA   SER   8           HA       SER   8  54.498   9.311   4.007
   48    HB2  SER   8           HB3      SER   8  53.855  11.645   2.638
   49    HB3  SER   8           HB2      SER   8  52.329  10.763   2.717
   50    HG   SER   8           HG       SER   8  52.902  10.494   5.038
   51    H    ASP   9           H        ASP   9  53.386   8.808   0.700
   52    HA   ASP   9           HA       ASP   9  51.264   7.024   1.607
   53    HB2  ASP   9           HB3      ASP   9  51.962   8.369  -0.945
   54    HB3  ASP   9           HB2      ASP   9  51.172   6.801  -1.081
   55    H    LEU  10           H        LEU  10  53.870   6.208   2.232
   56    HA   LEU  10           HA       LEU  10  53.915   3.731   0.691
   57    HB2  LEU  10           HB3      LEU  10  56.376   3.596   1.206
   58    HB3  LEU  10           HB2      LEU  10  55.887   4.743  -0.025
   59    HG   LEU  10           HG       LEU  10  57.654   5.614   1.480
   60   HD11  LEU  10          HD11      LEU  10  55.445   6.909   0.493
   61   HD12  LEU  10          HD12      LEU  10  56.883   7.679   1.160
   62   HD13  LEU  10          HD13      LEU  10  55.472   7.406   2.184
   63   HD21  LEU  10          HD21      LEU  10  57.352   5.965   3.748
   64   HD22  LEU  10          HD22      LEU  10  56.588   4.394   3.502
   65   HD23  LEU  10          HD23      LEU  10  55.595   5.845   3.638
   66    H    SER  11           H        SER  11  52.897   4.906   3.326
   67    HA   SER  11           HA       SER  11  53.814   2.702   5.005
   68    HB2  SER  11           HB3      SER  11  54.613   4.720   6.017
   69    HB3  SER  11           HB2      SER  11  53.069   5.525   5.735
   70    H    LYS  12           H        LYS  12  51.214   4.633   3.820
   71    HA   LYS  12           HA       LYS  12  49.254   2.785   4.988
   72    HB2  LYS  12           HB3      LYS  12  49.270   5.745   4.607
   73    HB3  LYS  12           HB2      LYS  12  47.761   4.860   4.650
   74    HG2  LYS  12           HG3      LYS  12  47.896   4.486   6.863
   75    HG3  LYS  12           HG2      LYS  12  49.637   4.206   6.774
   76    HD2  LYS  12           HD3      LYS  12  49.190   6.191   8.096
   77    HD3  LYS  12           HD2      LYS  12  50.007   6.629   6.594
   78    HE2  LYS  12           HE2      LYS  12  47.780   7.168   5.620
   79    HE3  LYS  12           HE3      LYS  12  47.066   6.881   7.206
   80    HZ1  LYS  12           HZ1      LYS  12  48.824   9.069   6.332
   81    HZ2  LYS  12           HZ2      LYS  12  48.820   8.612   7.960
   82    HZ3  LYS  12           HZ3      LYS  12  47.389   9.139   7.227
   83    H    GLN  13           H        GLN  13  50.596   4.083   2.195
   84    HA   GLN  13           HA       GLN  13  48.269   3.234   0.614
   85    HB2  GLN  13           HB3      GLN  13  48.663   5.638   0.503
   86    HB3  GLN  13           HB2      GLN  13  50.304   5.346  -0.041
   87    HG2  GLN  13           HG3      GLN  13  49.343   5.722  -2.052
   88    HG3  GLN  13           HG2      GLN  13  49.034   3.990  -1.932
   89   HE21  GLN  13          HE21      GLN  13  46.931   3.423  -0.855
   90   HE22  GLN  13          HE22      GLN  13  45.550   4.385  -1.278
   91    H    MET  14           H        MET  14  51.818   3.284   0.773
   92    HA   MET  14           HA       MET  14  51.763   1.275  -1.397
   93    HB2  MET  14           HB3      MET  14  53.627   2.170  -2.221
   94    HB3  MET  14           HB2      MET  14  53.521   3.443  -1.021
   95    HG2  MET  14           HG3      MET  14  54.914   2.223   0.487
   96    HG3  MET  14           HG2      MET  14  54.887   0.801  -0.570
   97    HE1  MET  14           HE1      MET  14  57.745   0.719  -0.665
   98    HE2  MET  14           HE2      MET  14  57.403   1.859   0.636
   99    HE3  MET  14           HE3      MET  14  58.580   2.272  -0.613
  100    H    GLU  15           H        GLU  15  52.107   1.794   1.918
  101    HA   GLU  15           HA       GLU  15  53.415  -0.749   2.361
  102    HB2  GLU  15           HB3      GLU  15  53.247   1.629   3.832
  103    HB3  GLU  15           HB2      GLU  15  52.348   0.437   4.756
  104    HG2  GLU  15           HG3      GLU  15  54.292  -1.056   4.673
  105    HG3  GLU  15           HG2      GLU  15  55.194   0.186   3.806
  106    H    GLU  16           H        GLU  16  50.268   0.901   2.520
  107    HA   GLU  16           HA       GLU  16  48.767  -0.994   3.890
  108    HB2  GLU  16           HB3      GLU  16  48.234   1.182   2.137
  109    HB3  GLU  16           HB2      GLU  16  47.265  -0.184   1.599
  110    HG2  GLU  16           HG3      GLU  16  46.404  -0.430   3.897
  111    HG3  GLU  16           HG2      GLU  16  47.304   1.012   4.359
  112    H    GLU  17           H        GLU  17  49.995  -0.969   0.629
  113    HA   GLU  17           HA       GLU  17  48.874  -3.560  -0.041
  114    HB2  GLU  17           HB3      GLU  17  49.454  -3.084  -2.209
  115    HB3  GLU  17           HB2      GLU  17  49.275  -1.453  -1.590
  116    HG2  GLU  17           HG3      GLU  17  51.744  -1.504  -1.120
  117    HG3  GLU  17           HG2      GLU  17  51.806  -2.977  -2.056
  118    H    DAL  18           H        ALA  18  51.891  -1.996   0.798
  119    HA   DAL  18           HA       ALA  18  53.843  -2.815   1.631
  120    HB1  DAL  18           HB1      ALA  18  53.330  -4.315  -0.855
  121    HB2  DAL  18           HB2      ALA  18  54.566  -4.978   0.216
  122    HB3  DAL  18           HB3      ALA  18  54.717  -3.328  -0.389
  123    H    VAL  19           H        VAL  19  51.652  -3.536   3.075
  124    HA   VAL  19           HA       VAL  19  52.579  -5.799   4.531
  125    HB   VAL  19           HB       VAL  19  49.895  -4.409   4.708
  126   HG11  VAL  19          HG11      VAL  19  49.687  -6.425   5.873
  127   HG12  VAL  19          HG12      VAL  19  50.108  -5.249   7.118
  128   HG13  VAL  19          HG13      VAL  19  51.338  -6.345   6.488
  129   HG21  VAL  19          HG21      VAL  19  52.308  -3.228   5.107
  130   HG22  VAL  19          HG22      VAL  19  51.947  -3.837   6.724
  131   HG23  VAL  19          HG23      VAL  19  50.811  -2.753   5.914
  132    H    ARG  20           H        ARG  20  50.116  -5.209   2.098
  133    HA   ARG  20           HA       ARG  20  48.753  -7.670   2.333
  134    HB2  ARG  20           HB3      ARG  20  49.067  -5.841  -0.059
  135    HB3  ARG  20           HB2      ARG  20  47.946  -7.193   0.028
  136    HG2  ARG  20           HG3      ARG  20  47.798  -5.151   2.170
  137    HG3  ARG  20           HG2      ARG  20  47.213  -4.708   0.564
  138    HD2  ARG  20           HD3      ARG  20  45.302  -5.572   1.504
  139    HD3  ARG  20           HD2      ARG  20  45.964  -7.000   0.715
  140    HE   ARG  20           HE       ARG  20  47.009  -7.065   3.238
  141   HH11  ARG  20          HH11      ARG  20  43.781  -6.924   1.914
  142   HH12  ARG  20          HH12      ARG  20  43.066  -7.778   3.240
  143   HH21  ARG  20          HH21      ARG  20  46.068  -8.188   4.982
  144   HH22  ARG  20          HH22      ARG  20  44.363  -8.495   4.981
  145    H    LEU  21           H        LEU  21  51.615  -6.637   0.526
  146    HA   LEU  21           HA       LEU  21  51.856  -9.309  -0.643
  147    HB2  LEU  21           HB3      LEU  21  53.656  -6.919  -0.977
  148    HB3  LEU  21           HB2      LEU  21  53.706  -8.405  -1.914
  149    HG   LEU  21           HG       LEU  21  51.452  -6.416  -1.870
  150   HD11  LEU  21          HD11      LEU  21  53.807  -6.151  -3.160
  151   HD12  LEU  21          HD12      LEU  21  52.276  -5.519  -3.772
  152   HD13  LEU  21          HD13      LEU  21  52.889  -7.067  -4.356
  153   HD21  LEU  21          HD21      LEU  21  50.863  -7.944  -3.948
  154   HD22  LEU  21          HD22      LEU  21  50.304  -8.326  -2.321
  155   HD23  LEU  21          HD23      LEU  21  51.713  -9.152  -2.985
  156    H    TYR  22           H        TYR  22  53.231  -7.326   1.856
  157    HA   TYR  22           HA       TYR  22  55.556  -8.886   2.331
  158    HB2  TYR  22           HB3      TYR  22  55.614  -6.744   3.274
  159    HB3  TYR  22           HB2      TYR  22  53.977  -6.858   3.875
  160    HD1  TYR  22           HD2      TYR  22  56.855  -9.172   4.305
  161    HD2  TYR  22           HD1      TYR  22  54.087  -6.505   6.111
  162    HE1  TYR  22           HE2      TYR  22  57.690  -9.818   6.524
  163    HE2  TYR  22           HE1      TYR  22  54.899  -7.136   8.329
  164    HH   TYR  22           HH       TYR  22  56.147  -9.404   9.266
  165    H    ILE  23           H        ILE  23  52.316  -8.707   3.650
  166    HA   ILE  23           HA       ILE  23  52.632 -10.903   5.417
  167    HB   ILE  23           HB       ILE  23  50.129  -9.673   4.239
  168   HG12  ILE  23          HG12      ILE  23  51.630  -8.258   5.739
  169   HG13  ILE  23          HG13      ILE  23  49.956  -8.421   6.247
  170   HG21  ILE  23          HG21      ILE  23  49.300 -10.836   6.503
  171   HG22  ILE  23          HG22      ILE  23  50.572 -11.962   6.031
  172   HG23  ILE  23          HG23      ILE  23  49.240 -11.622   4.926
  173   HD11  ILE  23          HD11      ILE  23  50.682 -10.205   7.820
  174   HD12  ILE  23          HD12      ILE  23  51.363  -8.615   8.162
  175   HD13  ILE  23          HD13      ILE  23  52.350  -9.847   7.375
  176    H    GLN  24           H        GLN  24  51.837 -10.447   2.035
  177    HA   GLN  24           HA       GLN  24  50.831 -13.061   1.510
  178    HB2  GLN  24           HB3      GLN  24  50.562 -11.195  -0.079
  179    HB3  GLN  24           HB2      GLN  24  52.298 -11.148  -0.323
  180    HG2  GLN  24           HG3      GLN  24  50.807 -13.670  -0.856
  181    HG3  GLN  24           HG2      GLN  24  50.766 -12.356  -2.034
  182   HE21  GLN  24          HE21      GLN  24  52.601 -14.898  -0.664
  183   HE22  GLN  24          HE22      GLN  24  54.012 -14.714  -1.645
  184    H    TRP  25           H        TRP  25  53.987 -11.518   1.311
  185    HA   TRP  25           HA       TRP  25  55.578 -13.654   0.484
  186    HB2  TRP  25           HB3      TRP  25  56.528 -11.456   0.606
  187    HB3  TRP  25           HB2      TRP  25  56.106 -11.303   2.310
  188    HD1  TRP  25           HD1      TRP  25  58.540 -13.202   0.033
  189    HE1  TRP  25           HE1      TRP  25  60.587 -13.869   1.429
  190    HE3  TRP  25           HE3      TRP  25  56.925 -11.657   4.613
  191    HZ2  TRP  25           HZ2      TRP  25  61.423 -13.732   4.130
  192    HZ3  TRP  25           HZ3      TRP  25  58.409 -11.935   6.546
  193    HH2  TRP  25           HH2      TRP  25  60.601 -12.974   6.312
  194    H    LEU  26           H        LEU  26  54.160 -12.796   3.539
  195    HA   LEU  26           HA       LEU  26  55.530 -14.852   5.026
  196    HB2  LEU  26           HB3      LEU  26  53.630 -12.651   5.614
  197    HB3  LEU  26           HB2      LEU  26  53.577 -14.029   6.683
  198    HG   LEU  26           HG       LEU  26  55.682 -11.962   6.373
  199   HD11  LEU  26          HD11      LEU  26  54.790 -13.545   8.769
  200   HD12  LEU  26          HD12      LEU  26  53.986 -12.070   8.225
  201   HD13  LEU  26          HD13      LEU  26  55.672 -12.017   8.743
  202   HD21  LEU  26          HD21      LEU  26  56.957 -13.924   5.834
  203   HD22  LEU  26          HD22      LEU  26  56.242 -14.810   7.177
  204   HD23  LEU  26          HD23      LEU  26  57.318 -13.451   7.492
  205    H    LYS  27           H        LYS  27  52.451 -14.381   3.417
  206    HA   LYS  27           HA       LYS  27  50.875 -16.311   4.594
  207    HB2  LYS  27           HB3      LYS  27  50.910 -14.886   2.098
  208    HB3  LYS  27           HB2      LYS  27  50.435 -16.554   1.810
  209    HG2  LYS  27           HG3      LYS  27  48.401 -15.608   2.215
  210    HG3  LYS  27           HG2      LYS  27  48.839 -16.121   3.847
  211    HD2  LYS  27           HD3      LYS  27  49.637 -13.879   4.356
  212    HD3  LYS  27           HD2      LYS  27  49.268 -13.358   2.710
  213    HE2  LYS  27           HE2      LYS  27  47.166 -14.509   4.518
  214    HE3  LYS  27           HE3      LYS  27  47.577 -12.795   4.548
  215    HZ1  LYS  27           HZ1      LYS  27  46.590 -12.433   2.575
  216    HZ2  LYS  27           HZ2      LYS  27  45.716 -13.829   2.960
  217    HZ3  LYS  27           HZ3      LYS  27  47.051 -13.925   1.926
  218    H    GLU  28           H        GLU  28  53.513 -16.726   2.328
  219    HA   GLU  28           HA       GLU  28  53.054 -19.584   2.113
  220    HB2  GLU  28           HB3      GLU  28  55.168 -19.489   0.716
  221    HB3  GLU  28           HB2      GLU  28  53.793 -18.585   0.098
  222    HG2  GLU  28           HG3      GLU  28  54.737 -16.527   0.680
  223    HG3  GLU  28           HG2      GLU  28  55.918 -17.276   1.755
  224    H    GLY  29           H        GLY  29  55.077 -17.356   3.885
  225    HA2  GLY  29           HA3      GLY  29  55.785 -18.555   6.045
  226    HA3  GLY  29           HA2      GLY  29  56.671 -19.598   4.928
  227    H    GLY  30           H        GLY  30  56.730 -16.699   3.473
  228    HA2  GLY  30           HA3      GLY  30  58.541 -15.336   3.037
  229    HA3  GLY  30           HA2      GLY  30  58.237 -14.877   4.693
  230    HA   PRO  31           HA       PRO  31  62.333 -16.232   5.518
  231    HB2  PRO  31           HB3      PRO  31  62.280 -16.026   8.194
  232    HB3  PRO  31           HB2      PRO  31  62.192 -14.602   7.151
  233    HG2  PRO  31           HG3      PRO  31  60.011 -16.009   8.625
  234    HG3  PRO  31           HG2      PRO  31  60.243 -14.276   8.350
  235    HD2  PRO  31           HD3      PRO  31  58.535 -15.896   6.903
  236    HD3  PRO  31           HD2      PRO  31  59.140 -14.353   6.368
  237    H    SER  32           H        SER  32  60.702 -18.428   4.913
  238    HA   SER  32           HA       SER  32  61.937 -20.453   6.541
  239    HB2  SER  32           HB3      SER  32  59.025 -19.841   6.760
  240    HB3  SER  32           HB2      SER  32  59.517 -21.535   6.776
  241    HG   SER  32           HG       SER  32  59.534 -20.811   8.875
  242    H    SER  33           H        SER  33  61.813 -19.525   3.730
  243    HA   SER  33           HA       SER  33  61.688 -22.093   2.493
  244    HB2  SER  33           HB3      SER  33  59.262 -20.691   2.573
  245    HB3  SER  33           HB2      SER  33  59.887 -20.430   0.941
  246    HG   SER  33           HG       SER  33  60.153 -22.745   0.824
  247    H    GLY  34           H        GLY  34  63.536 -19.840   2.854
  248    HA2  GLY  34           HA3      GLY  34  65.059 -18.603   1.655
  249    HA3  GLY  34           HA2      GLY  34  64.853 -19.848   0.424
  250    H    ARG  35           H        ARG  35  63.199 -16.951   1.686
  251    HA   ARG  35           HA       ARG  35  62.820 -16.051  -1.067
  252    HB2  ARG  35           HB3      ARG  35  60.776 -17.317   0.022
  253    HB3  ARG  35           HB2      ARG  35  60.519 -15.770   0.816
  254    HG2  ARG  35           HG3      ARG  35  59.338 -15.228  -0.989
  255    HG3  ARG  35           HG2      ARG  35  60.894 -15.040  -1.799
  256    HD2  ARG  35           HD3      ARG  35  60.736 -17.082  -2.861
  257    HD3  ARG  35           HD2      ARG  35  59.630 -17.740  -1.657
  258    HE   ARG  35           HE       ARG  35  57.869 -16.881  -2.847
  259   HH11  ARG  35          HH11      ARG  35  60.833 -15.444  -4.002
  260   HH12  ARG  35          HH12      ARG  35  60.079 -14.674  -5.358
  261   HH21  ARG  35          HH21      ARG  35  56.876 -15.868  -4.629
  262   HH22  ARG  35          HH22      ARG  35  57.832 -14.914  -5.714
  263    HA   PRO  36           HA       PRO  36  64.425 -12.398   1.034
  264    HB2  PRO  36           HB3      PRO  36  63.787 -11.173  -1.590
  265    HB3  PRO  36           HB2      PRO  36  65.305 -11.171  -0.687
  266    HG2  PRO  36           HG3      PRO  36  65.011 -12.682  -2.864
  267    HG3  PRO  36           HG2      PRO  36  65.920 -13.268  -1.459
  268    HD2  PRO  36           HD3      PRO  36  63.134 -13.931  -2.324
  269    HD3  PRO  36           HD2      PRO  36  64.390 -15.000  -1.663
  270    HA   PRO  37           HA       PRO  37  60.317 -10.848   1.993
  271    HB2  PRO  37           HB3      PRO  37  61.548  -9.099   3.935
  272    HB3  PRO  37           HB2      PRO  37  60.541 -10.523   4.210
  273    HG2  PRO  37           HG3      PRO  37  63.258 -10.345   4.738
  274    HG3  PRO  37           HG2      PRO  37  62.339 -11.847   4.579
  275    HD2  PRO  37           HD3      PRO  37  64.209 -10.572   2.683
  276    HD3  PRO  37           HD2      PRO  37  63.749 -12.276   2.846
  277    HA   PRO  38           HA       PRO  38  60.250  -7.098  -0.359
  278    HB2  PRO  38           HB3      PRO  38  57.925  -6.026   0.584
  279    HB3  PRO  38           HB2      PRO  38  57.987  -7.356  -0.578
  280    HG2  PRO  38           HG3      PRO  38  57.562  -7.443   2.383
  281    HG3  PRO  38           HG2      PRO  38  56.738  -8.351   1.103
  282    HD2  PRO  38           HD3      PRO  38  58.685  -9.447   2.607
  283    HD3  PRO  38           HD2      PRO  38  58.455  -9.878   0.901
  284    H    SER  39           H        SER  39  59.336  -4.656   0.293
  285    HA   SER  39           HA       SER  39  60.503  -3.868   2.848
  286    HB2  SER  39           HB3      SER  39  62.387  -3.721   1.307
  287    HB3  SER  39           HB2      SER  39  61.428  -2.751   0.190
  288    HG   SER  39           HG       SER  39  61.843  -1.053   1.351
  Start of MODEL    5
    1    H1   HIS   1           H1       HIS   1  58.143  15.879  12.933
    2    H2   HIS   1           H2       HIS   1  56.852  16.020  14.054
    3    H3   HIS   1           H3       HIS   1  56.522  15.878  12.376
    4    HA   HIS   1           HA       HIS   1  57.514  13.861  14.252
    5    HB2  HIS   1           HB3      HIS   1  55.067  14.471  12.763
    6    HB3  HIS   1           HB2      HIS   1  55.596  12.804  12.564
    7    HD1  HIS   1           HD1      HIS   1  56.715  12.469  15.497
    8    HD2  HIS   1           HD2      HIS   1  52.972  13.956  14.474
    9    HE1  HIS   1           HE1      HIS   1  55.268  12.095  17.519
   10    HE2  HIS   1           HE2      HIS   1  52.985  12.921  16.845
   11    H    GLY   2           H        GLY   2  56.851  14.323  10.769
   12    HA2  GLY   2           HA3      GLY   2  59.377  13.082  10.087
   13    HA3  GLY   2           HA2      GLY   2  57.962  12.122   9.675
   14    H    GLU   3           H        GLU   3  59.756  15.041   9.001
   15    HA   GLU   3           HA       GLU   3  57.972  15.812   6.846
   16    HB2  GLU   3           HB3      GLU   3  60.362  17.006   8.167
   17    HB3  GLU   3           HB2      GLU   3  59.997  17.503   6.520
   18    HG2  GLU   3           HG3      GLU   3  58.681  19.031   7.455
   19    HG3  GLU   3           HG2      GLU   3  57.559  17.701   7.740
   20    H    GLY   4           H        GLY   4  58.575  15.927   4.649
   21    HA2  GLY   4           HA3      GLY   4  60.911  15.337   3.408
   22    HA3  GLY   4           HA2      GLY   4  60.280  13.749   3.820
   23    H    THR   5           H        THR   5  60.365  16.107   1.485
   24    HA   THR   5           HA       THR   5  57.775  15.384   0.329
   25    HB   THR   5           HB       THR   5  58.766  17.172  -1.423
   26    HG1  THR   5           HG1      THR   5  60.550  17.925  -0.607
   27   HG21  THR   5          HG21      THR   5  57.861  18.890   0.507
   28   HG22  THR   5          HG22      THR   5  57.062  17.373   0.920
   29   HG23  THR   5          HG23      THR   5  56.869  18.062  -0.692
   30    H    PHE   6           H        PHE   6  58.680  13.179  -0.026
   31    HA   PHE   6           HA       PHE   6  59.297  12.781  -2.733
   32    HB2  PHE   6           HB3      PHE   6  61.613  11.740  -2.327
   33    HB3  PHE   6           HB2      PHE   6  61.512  13.496  -2.400
   34    HD1  PHE   6           HD1      PHE   6  61.987  10.601  -0.201
   35    HD2  PHE   6           HD2      PHE   6  61.938  14.846  -0.470
   36    HE1  PHE   6           HE1      PHE   6  63.061  10.748   2.007
   37    HE2  PHE   6           HE2      PHE   6  63.013  15.003   1.738
   38    HZ   PHE   6           HZ       PHE   6  63.577  12.952   2.980
   39    H    THR   7           H        THR   7  59.588  11.501   0.543
   40    HA   THR   7           HA       THR   7  58.476   8.958  -0.436
   41    HB   THR   7           HB       THR   7  59.824   7.911   1.499
   42    HG1  THR   7           HG1      THR   7  61.214   9.129   2.474
   43   HG21  THR   7          HG21      THR   7  61.915   7.782   0.154
   44   HG22  THR   7          HG22      THR   7  61.194   8.934  -0.970
   45   HG23  THR   7          HG23      THR   7  60.446   7.356  -0.721
   46    H    SER   8           H        SER   8  56.575   8.552   0.452
   47    HA   SER   8           HA       SER   8  56.084   8.773   3.242
   48    HB2  SER   8           HB3      SER   8  54.462  10.538   3.286
   49    HB3  SER   8           HB2      SER   8  55.906  11.179   2.503
   50    HG   SER   8           HG       SER   8  54.349  11.765   1.139
   51    H    ASP   9           H        ASP   9  54.864   8.320  -0.012
   52    HA   ASP   9           HA       ASP   9  52.508   6.905   0.968
   53    HB2  ASP   9           HB3      ASP   9  52.036   6.665  -1.528
   54    HB3  ASP   9           HB2      ASP   9  52.025   8.305  -0.890
   55    H    LEU  10           H        LEU  10  55.021   5.772   1.581
   56    HA   LEU  10           HA       LEU  10  54.687   3.252   0.145
   57    HB2  LEU  10           HB3      LEU  10  57.107   2.791   0.617
   58    HB3  LEU  10           HB2      LEU  10  56.769   3.983  -0.624
   59    HG   LEU  10           HG       LEU  10  58.669   4.586   0.867
   60   HD11  LEU  10          HD11      LEU  10  56.738   6.186  -0.198
   61   HD12  LEU  10          HD12      LEU  10  58.243   6.750   0.528
   62   HD13  LEU  10          HD13      LEU  10  56.763   6.710   1.486
   63   HD21  LEU  10          HD21      LEU  10  57.641   3.619   2.932
   64   HD22  LEU  10          HD22      LEU  10  56.569   5.019   2.979
   65   HD23  LEU  10          HD23      LEU  10  58.311   5.238   3.129
   66    H    SER  11           H        SER  11  53.892   4.651   2.761
   67    HA   SER  11           HA       SER  11  54.543   2.396   4.500
   68    HB2  SER  11           HB3      SER  11  55.609   4.302   5.448
   69    HB3  SER  11           HB2      SER  11  54.210   5.319   5.114
   70    H    LYS  12           H        LYS  12  52.173   4.559   3.252
   71    HA   LYS  12           HA       LYS  12  50.034   3.033   4.569
   72    HB2  LYS  12           HB3      LYS  12  50.424   5.940   4.053
   73    HB3  LYS  12           HB2      LYS  12  48.806   5.274   4.110
   74    HG2  LYS  12           HG3      LYS  12  48.869   4.988   6.335
   75    HG3  LYS  12           HG2      LYS  12  50.545   4.433   6.276
   76    HD2  LYS  12           HD3      LYS  12  50.460   6.497   7.517
   77    HD3  LYS  12           HD2      LYS  12  51.273   6.780   5.975
   78    HE2  LYS  12           HE2      LYS  12  49.150   7.646   5.056
   79    HE3  LYS  12           HE3      LYS  12  48.404   7.433   6.638
   80    HZ1  LYS  12           HZ1      LYS  12  49.735   9.097   7.564
   81    HZ2  LYS  12           HZ2      LYS  12  49.265   9.730   6.068
   82    HZ3  LYS  12           HZ3      LYS  12  50.820   9.097   6.267
   83    H    GLN  13           H        GLN  13  51.419   4.091   1.682
   84    HA   GLN  13           HA       GLN  13  48.978   3.417   0.195
   85    HB2  GLN  13           HB3      GLN  13  49.656   5.746  -0.047
   86    HB3  GLN  13           HB2      GLN  13  51.235   5.227  -0.604
   87    HG2  GLN  13           HG3      GLN  13  50.519   5.020  -2.689
   88    HG3  GLN  13           HG2      GLN  13  49.159   4.019  -2.182
   89   HE21  GLN  13          HE21      GLN  13  50.247   7.376  -2.370
   90   HE22  GLN  13          HE22      GLN  13  48.675   8.055  -2.661
   91    H    MET  14           H        MET  14  52.507   3.043   0.298
   92    HA   MET  14           HA       MET  14  52.167   0.968  -1.779
   93    HB2  MET  14           HB3      MET  14  54.113   1.586  -2.664
   94    HB3  MET  14           HB2      MET  14  54.183   2.914  -1.522
   95    HG2  MET  14           HG3      MET  14  55.438   1.595   0.025
   96    HG3  MET  14           HG2      MET  14  55.224   0.146  -0.973
   97    HE1  MET  14           HE1      MET  14  56.369  -0.472  -2.909
   98    HE2  MET  14           HE2      MET  14  57.732   0.331  -3.688
   99    HE3  MET  14           HE3      MET  14  56.087   0.878  -4.008
  100    H    GLU  15           H        GLU  15  52.691   1.586   1.512
  101    HA   GLU  15           HA       GLU  15  53.672  -1.081   2.043
  102    HB2  GLU  15           HB3      GLU  15  53.790   1.350   3.428
  103    HB3  GLU  15           HB2      GLU  15  52.755   0.309   4.395
  104    HG2  GLU  15           HG3      GLU  15  54.508  -1.405   4.376
  105    HG3  GLU  15           HG2      GLU  15  55.549  -0.319   3.461
  106    H    GLU  16           H        GLU  16  50.733   0.922   2.142
  107    HA   GLU  16           HA       GLU  16  49.035  -0.753   3.572
  108    HB2  GLU  16           HB3      GLU  16  48.748   1.429   1.770
  109    HB3  GLU  16           HB2      GLU  16  47.628   0.172   1.261
  110    HG2  GLU  16           HG3      GLU  16  46.749   0.080   3.564
  111    HG3  GLU  16           HG2      GLU  16  47.808   1.423   3.989
  112    H    GLU  17           H        GLU  17  50.259  -0.947   0.320
  113    HA   GLU  17           HA       GLU  17  48.868  -3.429  -0.278
  114    HB2  GLU  17           HB3      GLU  17  49.383  -3.020  -2.464
  115    HB3  GLU  17           HB2      GLU  17  49.471  -1.372  -1.874
  116    HG2  GLU  17           HG3      GLU  17  51.938  -1.802  -1.512
  117    HG3  GLU  17           HG2      GLU  17  51.723  -3.256  -2.459
  118    H    DAL  18           H        ALA  18  52.028  -2.124   0.471
  119    HA   DAL  18           HA       ALA  18  53.931  -3.082   1.255
  120    HB1  DAL  18           HB1      ALA  18  54.414  -5.353  -0.086
  121    HB2  DAL  18           HB2      ALA  18  54.680  -3.749  -0.767
  122    HB3  DAL  18           HB3      ALA  18  53.201  -4.632  -1.145
  123    H    VAL  19           H        VAL  19  51.635  -3.604   2.736
  124    HA   VAL  19           HA       VAL  19  52.473  -5.788   4.340
  125    HB   VAL  19           HB       VAL  19  49.860  -4.259   4.339
  126   HG11  VAL  19          HG11      VAL  19  50.918  -6.429   6.071
  127   HG12  VAL  19          HG12      VAL  19  49.261  -6.083   5.575
  128   HG13  VAL  19          HG13      VAL  19  50.025  -5.113   6.835
  129   HG21  VAL  19          HG21      VAL  19  51.230  -3.499   6.559
  130   HG22  VAL  19          HG22      VAL  19  51.216  -2.611   5.034
  131   HG23  VAL  19          HG23      VAL  19  52.538  -3.723   5.400
  132    H    ARG  20           H        ARG  20  50.126  -5.362   1.773
  133    HA   ARG  20           HA       ARG  20  48.724  -7.794   2.156
  134    HB2  ARG  20           HB3      ARG  20  49.091  -6.199  -0.390
  135    HB3  ARG  20           HB2      ARG  20  47.880  -7.444  -0.120
  136    HG2  ARG  20           HG3      ARG  20  47.134  -5.939   1.852
  137    HG3  ARG  20           HG2      ARG  20  48.034  -4.682   1.002
  138    HD2  ARG  20           HD3      ARG  20  46.613  -5.710  -1.040
  139    HD3  ARG  20           HD2      ARG  20  45.501  -6.019   0.294
  140    HE   ARG  20           HE       ARG  20  46.048  -3.512  -0.911
  141   HH11  ARG  20          HH11      ARG  20  45.358  -4.987   2.175
  142   HH12  ARG  20          HH12      ARG  20  44.651  -3.554   2.843
  143   HH21  ARG  20          HH21      ARG  20  45.117  -1.627  -0.037
  144   HH22  ARG  20          HH22      ARG  20  44.513  -1.647   1.588
  145    H    LEU  21           H        LEU  21  51.579  -6.858   0.299
  146    HA   LEU  21           HA       LEU  21  51.878  -9.576  -0.729
  147    HB2  LEU  21           HB3      LEU  21  53.806  -7.297  -1.056
  148    HB3  LEU  21           HB2      LEU  21  53.638  -8.726  -2.065
  149    HG   LEU  21           HG       LEU  21  51.599  -6.532  -1.809
  150   HD11  LEU  21          HD11      LEU  21  52.448  -5.549  -3.673
  151   HD12  LEU  21          HD12      LEU  21  53.039  -7.072  -4.336
  152   HD13  LEU  21          HD13      LEU  21  53.941  -6.258  -3.058
  153   HD21  LEU  21          HD21      LEU  21  51.677  -9.115  -3.304
  154   HD22  LEU  21          HD22      LEU  21  50.798  -7.738  -3.970
  155   HD23  LEU  21          HD23      LEU  21  50.357  -8.385  -2.388
  156    H    TYR  22           H        TYR  22  53.140  -7.492   1.742
  157    HA   TYR  22           HA       TYR  22  55.470  -8.977   2.371
  158    HB2  TYR  22           HB3      TYR  22  55.392  -6.782   3.216
  159    HB3  TYR  22           HB2      TYR  22  53.755  -6.967   3.799
  160    HD1  TYR  22           HD2      TYR  22  56.750  -9.098   4.343
  161    HD2  TYR  22           HD1      TYR  22  53.813  -6.537   6.022
  162    HE1  TYR  22           HE2      TYR  22  57.590  -9.623   6.590
  163    HE2  TYR  22           HE1      TYR  22  54.628  -7.045   8.267
  164    HH   TYR  22           HH       TYR  22  56.563  -9.602   8.993
  165    H    ILE  23           H        ILE  23  52.192  -8.810   3.612
  166    HA   ILE  23           HA       ILE  23  52.472 -10.946   5.445
  167    HB   ILE  23           HB       ILE  23  50.013  -9.810   4.096
  168   HG12  ILE  23          HG12      ILE  23  51.370  -8.324   5.639
  169   HG13  ILE  23          HG13      ILE  23  49.685  -8.552   6.089
  170   HG21  ILE  23          HG21      ILE  23  49.114 -11.759   4.764
  171   HG22  ILE  23          HG22      ILE  23  49.078 -10.953   6.333
  172   HG23  ILE  23          HG23      ILE  23  50.390 -12.065   5.941
  173   HD11  ILE  23          HD11      ILE  23  50.975  -8.672   8.068
  174   HD12  ILE  23          HD12      ILE  23  52.112  -9.804   7.334
  175   HD13  ILE  23          HD13      ILE  23  50.461 -10.317   7.690
  176    H    GLN  24           H        GLN  24  51.832 -10.630   2.020
  177    HA   GLN  24           HA       GLN  24  50.932 -13.289   1.536
  178    HB2  GLN  24           HB3      GLN  24  50.794 -11.340  -0.077
  179    HB3  GLN  24           HB2      GLN  24  52.512 -11.543  -0.361
  180    HG2  GLN  24           HG3      GLN  24  51.392 -12.636  -2.124
  181    HG3  GLN  24           HG2      GLN  24  52.031 -13.893  -1.063
  182   HE21  GLN  24          HE21      GLN  24  50.691 -15.458  -0.540
  183   HE22  GLN  24          HE22      GLN  24  48.966 -15.382  -0.588
  184    H    TRP  25           H        TRP  25  54.060 -11.668   1.412
  185    HA   TRP  25           HA       TRP  25  55.729 -13.806   0.749
  186    HB2  TRP  25           HB3      TRP  25  56.597 -11.553   0.808
  187    HB3  TRP  25           HB2      TRP  25  56.168 -11.382   2.510
  188    HD1  TRP  25           HD1      TRP  25  58.701 -13.174   0.250
  189    HE1  TRP  25           HE1      TRP  25  60.742 -13.799   1.675
  190    HE3  TRP  25           HE3      TRP  25  56.938 -11.786   4.827
  191    HZ2  TRP  25           HZ2      TRP  25  61.517 -13.696   4.396
  192    HZ3  TRP  25           HZ3      TRP  25  58.390 -12.068   6.790
  193    HH2  TRP  25           HH2      TRP  25  60.622 -13.020   6.578
  194    H    LEU  26           H        LEU  26  54.129 -12.866   3.677
  195    HA   LEU  26           HA       LEU  26  55.498 -14.799   5.336
  196    HB2  LEU  26           HB3      LEU  26  53.441 -12.674   5.741
  197    HB3  LEU  26           HB2      LEU  26  53.535 -13.966   6.915
  198    HG   LEU  26           HG       LEU  26  55.582 -11.867   6.286
  199   HD11  LEU  26          HD11      LEU  26  55.402 -11.328   8.570
  200   HD12  LEU  26          HD12      LEU  26  54.563 -12.837   8.940
  201   HD13  LEU  26          HD13      LEU  26  53.746 -11.577   8.013
  202   HD21  LEU  26          HD21      LEU  26  57.082 -13.105   7.867
  203   HD22  LEU  26          HD22      LEU  26  56.876 -13.864   6.290
  204   HD23  LEU  26          HD23      LEU  26  56.011 -14.493   7.690
  205    H    LYS  27           H        LYS  27  52.495 -14.491   3.555
  206    HA   LYS  27           HA       LYS  27  50.869 -16.354   4.743
  207    HB2  LYS  27           HB3      LYS  27  50.950 -15.027   2.279
  208    HB3  LYS  27           HB2      LYS  27  50.831 -16.733   1.873
  209    HG2  LYS  27           HG3      LYS  27  48.671 -16.723   2.338
  210    HG3  LYS  27           HG2      LYS  27  48.999 -16.170   3.981
  211    HD2  LYS  27           HD3      LYS  27  48.540 -14.001   3.484
  212    HD3  LYS  27           HD2      LYS  27  49.155 -14.137   1.834
  213    HE2  LYS  27           HE2      LYS  27  47.156 -14.832   1.000
  214    HE3  LYS  27           HE3      LYS  27  46.696 -15.653   2.491
  215    HZ1  LYS  27           HZ1      LYS  27  45.274 -13.842   2.379
  216    HZ2  LYS  27           HZ2      LYS  27  46.473 -12.787   1.825
  217    HZ3  LYS  27           HZ3      LYS  27  46.482 -13.303   3.435
  218    H    GLU  28           H        GLU  28  53.700 -16.918   2.768
  219    HA   GLU  28           HA       GLU  28  53.280 -19.806   2.829
  220    HB2  GLU  28           HB3      GLU  28  55.742 -18.575   1.672
  221    HB3  GLU  28           HB2      GLU  28  54.840 -19.986   1.137
  222    HG2  GLU  28           HG3      GLU  28  53.054 -17.932   0.757
  223    HG3  GLU  28           HG2      GLU  28  54.603 -17.198   0.347
  224    H    GLY  29           H        GLY  29  55.143 -17.323   4.394
  225    HA2  GLY  29           HA3      GLY  29  55.953 -18.004   6.639
  226    HA3  GLY  29           HA2      GLY  29  56.654 -19.412   5.833
  227    H    GLY  30           H        GLY  30  56.621 -16.308   4.310
  228    HA2  GLY  30           HA3      GLY  30  58.569 -15.440   3.243
  229    HA3  GLY  30           HA2      GLY  30  58.498 -14.701   4.827
  230    HA   PRO  31           HA       PRO  31  62.481 -16.255   5.696
  231    HB2  PRO  31           HB3      PRO  31  62.367 -16.557   8.376
  232    HB3  PRO  31           HB2      PRO  31  62.313 -14.967   7.602
  233    HG2  PRO  31           HG3      PRO  31  60.068 -16.618   8.687
  234    HG3  PRO  31           HG2      PRO  31  60.337 -14.873   8.818
  235    HD2  PRO  31           HD3      PRO  31  58.631 -16.020   7.030
  236    HD3  PRO  31           HD2      PRO  31  59.407 -14.476   6.774
  237    H    SER  32           H        SER  32  60.977 -18.334   4.644
  238    HA   SER  32           HA       SER  32  62.309 -20.604   5.559
  239    HB2  SER  32           HB3      SER  32  60.794 -20.362   7.525
  240    HB3  SER  32           HB2      SER  32  59.412 -20.535   6.443
  241    HG   SER  32           HG       SER  32  60.152 -22.615   5.922
  242    H    SER  33           H        SER  33  61.602 -19.304   3.115
  243    HA   SER  33           HA       SER  33  60.264 -21.546   1.771
  244    HB2  SER  33           HB3      SER  33  58.576 -19.822   1.905
  245    HB3  SER  33           HB2      SER  33  59.711 -18.606   1.307
  246    HG   SER  33           HG       SER  33  58.100 -19.799  -0.183
  247    H    GLY  34           H        GLY  34  62.336 -18.688   1.444
  248    HA2  GLY  34           HA3      GLY  34  64.532 -19.465   0.330
  249    HA3  GLY  34           HA2      GLY  34  63.460 -19.845  -1.018
  250    H    ARG  35           H        ARG  35  62.072 -17.206   0.283
  251    HA   ARG  35           HA       ARG  35  63.693 -15.365  -1.347
  252    HB2  ARG  35           HB3      ARG  35  61.590 -14.116  -1.779
  253    HB3  ARG  35           HB2      ARG  35  61.564 -15.748  -2.430
  254    HG2  ARG  35           HG3      ARG  35  60.435 -16.221  -0.056
  255    HG3  ARG  35           HG2      ARG  35  59.967 -14.537  -0.268
  256    HD2  ARG  35           HD3      ARG  35  58.215 -15.788  -1.212
  257    HD3  ARG  35           HD2      ARG  35  59.160 -15.201  -2.579
  258    HE   ARG  35           HE       ARG  35  59.990 -17.796  -1.721
  259   HH11  ARG  35          HH11      ARG  35  57.611 -16.086  -3.618
  260   HH12  ARG  35          HH12      ARG  35  57.283 -17.435  -4.653
  261   HH21  ARG  35          HH21      ARG  35  59.561 -19.572  -3.082
  262   HH22  ARG  35          HH22      ARG  35  58.389 -19.415  -4.348
  263    HA   PRO  36           HA       PRO  36  63.884 -12.794   2.243
  264    HB2  PRO  36           HB3      PRO  36  64.517 -10.436   1.155
  265    HB3  PRO  36           HB2      PRO  36  65.617 -11.816   1.052
  266    HG2  PRO  36           HG3      PRO  36  63.822 -10.662  -1.024
  267    HG3  PRO  36           HG2      PRO  36  65.424 -11.397  -1.203
  268    HD2  PRO  36           HD3      PRO  36  62.957 -12.651  -1.676
  269    HD3  PRO  36           HD2      PRO  36  64.531 -13.459  -1.523
  270    HA   PRO  37           HA       PRO  37  60.143 -10.507   2.800
  271    HB2  PRO  37           HB3      PRO  37  61.198  -8.605   4.631
  272    HB3  PRO  37           HB2      PRO  37  60.432 -10.152   5.009
  273    HG2  PRO  37           HG3      PRO  37  63.120  -9.516   5.425
  274    HG3  PRO  37           HG2      PRO  37  62.425 -11.143   5.424
  275    HD2  PRO  37           HD3      PRO  37  63.930  -9.722   3.281
  276    HD3  PRO  37           HD2      PRO  37  63.893 -11.452   3.684
  277    HA   PRO  38           HA       PRO  38  60.242  -6.976   0.090
  278    HB2  PRO  38           HB3      PRO  38  57.716  -6.076   0.530
  279    HB3  PRO  38           HB2      PRO  38  58.077  -7.494  -0.463
  280    HG2  PRO  38           HG3      PRO  38  57.178  -7.361   2.389
  281    HG3  PRO  38           HG2      PRO  38  56.639  -8.443   1.094
  282    HD2  PRO  38           HD3      PRO  38  58.402  -9.220   2.984
  283    HD3  PRO  38           HD2      PRO  38  58.465  -9.831   1.318
  284    H    SER  39           H        SER  39  59.059  -4.595   0.389
  285    HA   SER  39           HA       SER  39  59.338  -2.541   1.326
  286    HB2  SER  39           HB3      SER  39  58.636  -2.283   3.554
  287    HB3  SER  39           HB2      SER  39  57.824  -3.757   3.030
  288    HG   SER  39           HG       SER  39  59.090  -3.672   5.144
  Start of MODEL    6
    1    H1   HIS   1           H1       HIS   1  68.316   6.165   5.777
    2    H2   HIS   1           H2       HIS   1  68.560   6.692   4.162
    3    H3   HIS   1           H3       HIS   1  67.724   7.693   5.279
    4    HA   HIS   1           HA       HIS   1  69.809   7.640   6.636
    5    HB2  HIS   1           HB3      HIS   1  70.684   5.714   5.204
    6    HB3  HIS   1           HB2      HIS   1  71.007   6.918   3.961
    7    HD1  HIS   1           HD1      HIS   1  71.695   7.059   7.702
    8    HD2  HIS   1           HD2      HIS   1  73.690   7.263   4.062
    9    HE1  HIS   1           HE1      HIS   1  74.089   7.574   8.274
   10    HE2  HIS   1           HE2      HIS   1  75.258   7.779   6.053
   11    H    GLY   2           H        GLY   2  68.151   9.540   5.912
   12    HA2  GLY   2           HA3      GLY   2  69.788  11.419   4.323
   13    HA3  GLY   2           HA2      GLY   2  68.033  11.397   4.250
   14    H    GLU   3           H        GLU   3  67.378  13.261   5.115
   15    HA   GLU   3           HA       GLU   3  68.645  14.178   7.602
   16    HB2  GLU   3           HB3      GLU   3  67.332  15.544   5.319
   17    HB3  GLU   3           HB2      GLU   3  67.080  16.255   6.906
   18    HG2  GLU   3           HG3      GLU   3  69.730  15.910   7.004
   19    HG3  GLU   3           HG2      GLU   3  69.524  16.096   5.264
   20    H    GLY   4           H        GLY   4  65.446  13.740   6.108
   21    HA2  GLY   4           HA3      GLY   4  64.347  12.871   8.628
   22    HA3  GLY   4           HA2      GLY   4  63.755  14.443   8.111
   23    H    THR   5           H        THR   5  61.641  13.495   8.026
   24    HA   THR   5           HA       THR   5  61.220  11.618   5.807
   25    HB   THR   5           HB       THR   5  58.826  11.616   6.873
   26    HG1  THR   5           HG1      THR   5  59.319  13.347   8.323
   27   HG21  THR   5          HG21      THR   5  60.258   9.665   6.932
   28   HG22  THR   5          HG22      THR   5  59.450   9.894   8.482
   29   HG23  THR   5          HG23      THR   5  61.147  10.339   8.297
   30    H    PHE   6           H        PHE   6  60.012  12.141   4.051
   31    HA   PHE   6           HA       PHE   6  58.834  14.840   3.976
   32    HB2  PHE   6           HB3      PHE   6  59.466  14.726   1.463
   33    HB3  PHE   6           HB2      PHE   6  60.721  15.114   2.633
   34    HD1  PHE   6           HD2      PHE   6  62.163  13.148   3.477
   35    HD2  PHE   6           HD1      PHE   6  59.781  13.003  -0.047
   36    HE1  PHE   6           HE2      PHE   6  63.527  11.279   2.637
   37    HE2  PHE   6           HE1      PHE   6  61.139  11.133  -0.892
   38    HZ   PHE   6           HZ       PHE   6  63.015  10.270   0.451
   39    H    THR   7           H        THR   7  58.890  11.751   2.186
   40    HA   THR   7           HA       THR   7  56.327  12.122   1.032
   41    HB   THR   7           HB       THR   7  57.315   9.357   1.425
   42    HG1  THR   7           HG1      THR   7  58.722  11.175  -0.229
   43   HG21  THR   7          HG21      THR   7  56.104   9.020  -0.387
   44   HG22  THR   7          HG22      THR   7  57.136  10.127  -1.293
   45   HG23  THR   7          HG23      THR   7  55.713  10.740  -0.452
   46    H    SER   8           H        SER   8  54.820   9.951   1.408
   47    HA   SER   8           HA       SER   8  54.482   9.047   4.041
   48    HB2  SER   8           HB3      SER   8  53.142  11.617   3.358
   49    HB3  SER   8           HB2      SER   8  52.212  10.438   4.283
   50    HG   SER   8           HG       SER   8  53.254  11.313   5.898
   51    H    ASP   9           H        ASP   9  54.338   8.086   1.329
   52    HA   ASP   9           HA       ASP   9  51.642   6.927   1.431
   53    HB2  ASP   9           HB3      ASP   9  53.037   7.775  -1.119
   54    HB3  ASP   9           HB2      ASP   9  51.450   7.021  -1.001
   55    H    LEU  10           H        LEU  10  54.229   6.019   2.349
   56    HA   LEU  10           HA       LEU  10  54.270   3.544   0.807
   57    HB2  LEU  10           HB3      LEU  10  56.675   3.298   1.502
   58    HB3  LEU  10           HB2      LEU  10  56.329   4.478   0.252
   59    HG   LEU  10           HG       LEU  10  58.020   5.226   1.931
   60   HD11  LEU  10          HD11      LEU  10  57.426   7.349   1.565
   61   HD12  LEU  10          HD12      LEU  10  55.859   7.153   2.350
   62   HD13  LEU  10          HD13      LEU  10  56.076   6.656   0.669
   63   HD21  LEU  10          HD21      LEU  10  56.771   4.125   3.857
   64   HD22  LEU  10          HD22      LEU  10  55.717   5.539   3.832
   65   HD23  LEU  10          HD23      LEU  10  57.443   5.729   4.147
   66    H    SER  11           H        SER  11  53.083   4.746   3.342
   67    HA   SER  11           HA       SER  11  53.769   2.509   5.086
   68    HB2  SER  11           HB3      SER  11  54.572   4.504   6.152
   69    HB3  SER  11           HB2      SER  11  53.079   5.357   5.770
   70    H    LYS  12           H        LYS  12  51.360   4.552   3.704
   71    HA   LYS  12           HA       LYS  12  49.234   2.801   4.721
   72    HB2  LYS  12           HB3      LYS  12  49.413   5.751   4.323
   73    HB3  LYS  12           HB2      LYS  12  47.866   4.935   4.247
   74    HG2  LYS  12           HG3      LYS  12  47.799   4.585   6.465
   75    HG3  LYS  12           HG2      LYS  12  49.525   4.212   6.522
   76    HD2  LYS  12           HD3      LYS  12  49.119   6.227   7.789
   77    HD3  LYS  12           HD2      LYS  12  50.022   6.627   6.325
   78    HE2  LYS  12           HE2      LYS  12  48.340   7.856   5.475
   79    HE3  LYS  12           HE3      LYS  12  47.101   6.738   6.041
   80    HZ1  LYS  12           HZ1      LYS  12  48.225   9.082   7.352
   81    HZ2  LYS  12           HZ2      LYS  12  47.871   7.763   8.349
   82    HZ3  LYS  12           HZ3      LYS  12  46.652   8.461   7.407
   83    H    GLN  13           H        GLN  13  50.817   4.094   2.034
   84    HA   GLN  13           HA       GLN  13  48.591   3.314   0.284
   85    HB2  GLN  13           HB3      GLN  13  50.809   5.154  -0.498
   86    HB3  GLN  13           HB2      GLN  13  49.256   4.935  -1.281
   87    HG2  GLN  13           HG3      GLN  13  49.473   6.022   1.501
   88    HG3  GLN  13           HG2      GLN  13  49.632   7.062   0.086
   89   HE21  GLN  13          HE21      GLN  13  47.850   7.894  -0.738
   90   HE22  GLN  13          HE22      GLN  13  46.232   7.355  -0.409
   91    H    MET  14           H        MET  14  52.115   3.191   0.706
   92    HA   MET  14           HA       MET  14  52.128   1.182  -1.463
   93    HB2  MET  14           HB3      MET  14  54.098   1.984  -2.124
   94    HB3  MET  14           HB2      MET  14  53.958   3.254  -0.925
   95    HG2  MET  14           HG3      MET  14  55.146   1.945   0.685
   96    HG3  MET  14           HG2      MET  14  55.147   0.543  -0.398
   97    HE1  MET  14           HE1      MET  14  56.200   1.029  -3.068
   98    HE2  MET  14           HE2      MET  14  56.991  -0.031  -1.899
   99    HE3  MET  14           HE3      MET  14  57.945   1.126  -2.827
  100    H    GLU  15           H        GLU  15  52.308   1.703   1.882
  101    HA   GLU  15           HA       GLU  15  53.423  -0.909   2.407
  102    HB2  GLU  15           HB3      GLU  15  53.271   1.469   3.866
  103    HB3  GLU  15           HB2      GLU  15  52.218   0.346   4.710
  104    HG2  GLU  15           HG3      GLU  15  54.057  -1.272   4.804
  105    HG3  GLU  15           HG2      GLU  15  55.111  -0.101   4.015
  106    H    GLU  16           H        GLU  16  50.351   0.871   2.264
  107    HA   GLU  16           HA       GLU  16  48.670  -0.965   3.524
  108    HB2  GLU  16           HB3      GLU  16  48.362   1.247   1.766
  109    HB3  GLU  16           HB2      GLU  16  47.383  -0.069   1.135
  110    HG2  GLU  16           HG3      GLU  16  46.346  -0.306   3.365
  111    HG3  GLU  16           HG2      GLU  16  47.253   1.105   3.900
  112    H    GLU  17           H        GLU  17  50.139  -0.957   0.365
  113    HA   GLU  17           HA       GLU  17  48.980  -3.499  -0.414
  114    HB2  GLU  17           HB3      GLU  17  49.698  -3.009  -2.531
  115    HB3  GLU  17           HB2      GLU  17  49.580  -1.376  -1.898
  116    HG2  GLU  17           HG3      GLU  17  52.019  -1.608  -1.275
  117    HG3  GLU  17           HG2      GLU  17  52.035  -3.046  -2.268
  118    H    DAL  18           H        ALA  18  51.967  -2.045   0.672
  119    HA   DAL  18           HA       ALA  18  53.838  -2.925   1.613
  120    HB1  DAL  18           HB1      ALA  18  54.821  -3.435  -0.357
  121    HB2  DAL  18           HB2      ALA  18  53.452  -4.396  -0.916
  122    HB3  DAL  18           HB3      ALA  18  54.605  -5.085   0.228
  123    H    VAL  19           H        VAL  19  51.607  -3.580   2.975
  124    HA   VAL  19           HA       VAL  19  52.385  -5.865   4.445
  125    HB   VAL  19           HB       VAL  19  49.685  -4.501   4.446
  126   HG11  VAL  19          HG11      VAL  19  51.027  -6.467   6.250
  127   HG12  VAL  19          HG12      VAL  19  49.369  -6.443   5.650
  128   HG13  VAL  19          HG13      VAL  19  49.866  -5.314   6.910
  129   HG21  VAL  19          HG21      VAL  19  52.296  -3.639   5.418
  130   HG22  VAL  19          HG22      VAL  19  51.042  -3.614   6.657
  131   HG23  VAL  19          HG23      VAL  19  50.819  -2.709   5.158
  132    H    ARG  20           H        ARG  20  50.169  -5.319   1.788
  133    HA   ARG  20           HA       ARG  20  48.768  -7.776   1.984
  134    HB2  ARG  20           HB3      ARG  20  49.246  -6.075  -0.475
  135    HB3  ARG  20           HB2      ARG  20  48.021  -7.322  -0.298
  136    HG2  ARG  20           HG3      ARG  20  47.992  -5.140   1.693
  137    HG3  ARG  20           HG2      ARG  20  47.513  -4.732   0.045
  138    HD2  ARG  20           HD3      ARG  20  46.055  -6.902   0.272
  139    HD3  ARG  20           HD2      ARG  20  46.230  -6.586   1.997
  140    HE   ARG  20           HE       ARG  20  44.682  -4.940   1.762
  141   HH11  ARG  20          HH11      ARG  20  46.230  -5.409  -1.332
  142   HH12  ARG  20          HH12      ARG  20  45.240  -4.245  -2.145
  143   HH21  ARG  20          HH21      ARG  20  43.378  -3.409   0.693
  144   HH22  ARG  20          HH22      ARG  20  43.620  -3.110  -0.996
  145    H    LEU  21           H        LEU  21  51.717  -6.753   0.316
  146    HA   LEU  21           HA       LEU  21  52.049  -9.450  -0.777
  147    HB2  LEU  21           HB3      LEU  21  53.896  -7.093  -1.066
  148    HB3  LEU  21           HB2      LEU  21  53.869  -8.556  -2.041
  149    HG   LEU  21           HG       LEU  21  51.654  -6.523  -1.926
  150   HD11  LEU  21          HD11      LEU  21  52.514  -5.475  -3.741
  151   HD12  LEU  21          HD12      LEU  21  53.244  -6.950  -4.379
  152   HD13  LEU  21          HD13      LEU  21  54.030  -6.071  -3.068
  153   HD21  LEU  21          HD21      LEU  21  51.502  -9.159  -2.647
  154   HD22  LEU  21          HD22      LEU  21  51.788  -8.356  -4.191
  155   HD23  LEU  21          HD23      LEU  21  50.414  -7.882  -3.190
  156    H    TYR  22           H        TYR  22  53.237  -7.408   1.756
  157    HA   TYR  22           HA       TYR  22  55.577  -8.882   2.392
  158    HB2  TYR  22           HB3      TYR  22  55.459  -6.696   3.267
  159    HB3  TYR  22           HB2      TYR  22  53.820  -6.916   3.836
  160    HD1  TYR  22           HD1      TYR  22  56.845  -9.015   4.357
  161    HD2  TYR  22           HD2      TYR  22  53.856  -6.533   6.067
  162    HE1  TYR  22           HE1      TYR  22  57.677  -9.572   6.599
  163    HE2  TYR  22           HE2      TYR  22  54.664  -7.072   8.308
  164    HH   TYR  22           HH       TYR  22  57.406  -8.078   9.092
  165    H    ILE  23           H        ILE  23  52.278  -8.753   3.586
  166    HA   ILE  23           HA       ILE  23  52.535 -10.913   5.392
  167    HB   ILE  23           HB       ILE  23  50.098  -9.771   4.009
  168   HG12  ILE  23          HG12      ILE  23  51.417  -8.309   5.609
  169   HG13  ILE  23          HG13      ILE  23  49.722  -8.547   6.014
  170   HG21  ILE  23          HG21      ILE  23  49.161 -10.970   6.243
  171   HG22  ILE  23          HG22      ILE  23  50.439 -12.085   5.760
  172   HG23  ILE  23          HG23      ILE  23  49.141 -11.689   4.633
  173   HD11  ILE  23          HD11      ILE  23  51.234 -10.575   7.295
  174   HD12  ILE  23          HD12      ILE  23  50.308  -9.260   8.020
  175   HD13  ILE  23          HD13      ILE  23  52.005  -9.019   7.605
  176    H    GLN  24           H        GLN  24  51.951 -10.563   1.956
  177    HA   GLN  24           HA       GLN  24  51.078 -13.221   1.425
  178    HB2  GLN  24           HB3      GLN  24  50.952 -11.253  -0.168
  179    HB3  GLN  24           HB2      GLN  24  52.675 -11.439  -0.424
  180    HG2  GLN  24           HG3      GLN  24  51.602 -12.523  -2.218
  181    HG3  GLN  24           HG2      GLN  24  52.214 -13.790  -1.155
  182   HE21  GLN  24          HE21      GLN  24  50.860 -15.418  -1.048
  183   HE22  GLN  24          HE22      GLN  24  49.136 -15.316  -0.990
  184    H    TRP  25           H        TRP  25  54.198 -11.578   1.353
  185    HA   TRP  25           HA       TRP  25  55.886 -13.701   0.696
  186    HB2  TRP  25           HB3      TRP  25  56.740 -11.445   0.796
  187    HB3  TRP  25           HB2      TRP  25  56.289 -11.297   2.494
  188    HD1  TRP  25           HD1      TRP  25  58.861 -13.045   0.248
  189    HE1  TRP  25           HE1      TRP  25  60.887 -13.675   1.694
  190    HE3  TRP  25           HE3      TRP  25  57.027 -11.727   4.815
  191    HZ2  TRP  25           HZ2      TRP  25  61.623 -13.601   4.425
  192    HZ3  TRP  25           HZ3      TRP  25  58.452 -12.023   6.795
  193    HH2  TRP  25           HH2      TRP  25  60.695 -12.958   6.602
  194    H    LEU  26           H        LEU  26  54.230 -12.807   3.608
  195    HA   LEU  26           HA       LEU  26  55.582 -14.759   5.261
  196    HB2  LEU  26           HB3      LEU  26  53.532 -12.634   5.674
  197    HB3  LEU  26           HB2      LEU  26  53.600 -13.943   6.827
  198    HG   LEU  26           HG       LEU  26  55.652 -11.831   6.272
  199   HD11  LEU  26          HD11      LEU  26  53.821 -11.602   8.003
  200   HD12  LEU  26          HD12      LEU  26  55.473 -11.393   8.583
  201   HD13  LEU  26          HD13      LEU  26  54.619 -12.906   8.881
  202   HD21  LEU  26          HD21      LEU  26  57.156 -13.115   7.811
  203   HD22  LEU  26          HD22      LEU  26  56.957 -13.818   6.207
  204   HD23  LEU  26          HD23      LEU  26  56.094 -14.503   7.583
  205    H    LYS  27           H        LYS  27  52.591 -14.427   3.461
  206    HA   LYS  27           HA       LYS  27  50.985 -16.336   4.631
  207    HB2  LYS  27           HB3      LYS  27  51.167 -15.056   2.048
  208    HB3  LYS  27           HB2      LYS  27  50.676 -16.734   1.866
  209    HG2  LYS  27           HG3      LYS  27  48.696 -16.420   2.967
  210    HG3  LYS  27           HG2      LYS  27  49.313 -15.067   3.918
  211    HD2  LYS  27           HD3      LYS  27  49.208 -13.608   2.016
  212    HD3  LYS  27           HD2      LYS  27  48.799 -14.954   0.949
  213    HE2  LYS  27           HE2      LYS  27  46.636 -15.052   1.679
  214    HE3  LYS  27           HE3      LYS  27  47.038 -14.447   3.285
  215    HZ1  LYS  27           HZ1      LYS  27  47.591 -12.312   1.801
  216    HZ2  LYS  27           HZ2      LYS  27  46.073 -12.591   2.493
  217    HZ3  LYS  27           HZ3      LYS  27  46.349 -12.987   0.871
  218    H    GLU  28           H        GLU  28  53.848 -16.784   2.709
  219    HA   GLU  28           HA       GLU  28  53.437 -19.676   2.603
  220    HB2  GLU  28           HB3      GLU  28  55.843 -18.269   1.493
  221    HB3  GLU  28           HB2      GLU  28  55.094 -19.766   0.958
  222    HG2  GLU  28           HG3      GLU  28  53.092 -17.970   0.539
  223    HG3  GLU  28           HG2      GLU  28  54.525 -16.998   0.208
  224    H    GLY  29           H        GLY  29  55.263 -17.251   4.295
  225    HA2  GLY  29           HA3      GLY  29  56.070 -18.027   6.508
  226    HA3  GLY  29           HA2      GLY  29  56.788 -19.391   5.645
  227    H    GLY  30           H        GLY  30  56.765 -16.268   4.191
  228    HA2  GLY  30           HA3      GLY  30  58.726 -15.348   3.203
  229    HA3  GLY  30           HA2      GLY  30  58.606 -14.645   4.797
  230    HA   PRO  31           HA       PRO  31  62.591 -16.151   5.731
  231    HB2  PRO  31           HB3      PRO  31  62.423 -16.495   8.403
  232    HB3  PRO  31           HB2      PRO  31  62.360 -14.894   7.654
  233    HG2  PRO  31           HG3      PRO  31  60.116 -16.604   8.651
  234    HG3  PRO  31           HG2      PRO  31  60.355 -14.857   8.831
  235    HD2  PRO  31           HD3      PRO  31  58.709 -15.974   6.978
  236    HD3  PRO  31           HD2      PRO  31  59.483 -14.422   6.768
  237    H    SER  32           H        SER  32  61.408 -18.224   4.527
  238    HA   SER  32           HA       SER  32  62.639 -20.481   5.592
  239    HB2  SER  32           HB3      SER  32  61.073 -20.621   7.355
  240    HB3  SER  32           HB2      SER  32  59.723 -20.202   6.300
  241    HG   SER  32           HG       SER  32  59.569 -22.357   6.513
  242    H    SER  33           H        SER  33  59.933 -19.268   3.693
  243    HA   SER  33           HA       SER  33  59.528 -21.453   2.016
  244    HB2  SER  33           HB3      SER  33  58.137 -19.318   2.194
  245    HB3  SER  33           HB2      SER  33  59.318 -18.583   1.101
  246    HG   SER  33           HG       SER  33  57.256 -20.201   0.519
  247    H    GLY  34           H        GLY  34  62.025 -19.014   1.991
  248    HA2  GLY  34           HA3      GLY  34  64.155 -19.702   0.982
  249    HA3  GLY  34           HA2      GLY  34  63.217 -20.366  -0.353
  250    H    ARG  35           H        ARG  35  62.163 -17.350   0.927
  251    HA   ARG  35           HA       ARG  35  63.561 -15.886  -1.191
  252    HB2  ARG  35           HB3      ARG  35  61.485 -14.652  -1.684
  253    HB3  ARG  35           HB2      ARG  35  61.327 -16.368  -2.026
  254    HG2  ARG  35           HG3      ARG  35  60.472 -16.148   0.588
  255    HG3  ARG  35           HG2      ARG  35  59.852 -14.691  -0.186
  256    HD2  ARG  35           HD3      ARG  35  59.530 -17.195  -1.706
  257    HD3  ARG  35           HD2      ARG  35  58.579 -17.065  -0.225
  258    HE   ARG  35           HE       ARG  35  58.112 -14.707  -1.460
  259   HH11  ARG  35          HH11      ARG  35  57.898 -18.029  -2.511
  260   HH12  ARG  35          HH12      ARG  35  56.620 -17.721  -3.638
  261   HH21  ARG  35          HH21      ARG  35  56.432 -14.301  -2.944
  262   HH22  ARG  35          HH22      ARG  35  55.788 -15.604  -3.884
  263    HA   PRO  36           HA       PRO  36  64.022 -12.826   1.969
  264    HB2  PRO  36           HB3      PRO  36  64.536 -10.637   0.519
  265    HB3  PRO  36           HB2      PRO  36  65.630 -12.024   0.509
  266    HG2  PRO  36           HG3      PRO  36  63.702 -11.120  -1.555
  267    HG3  PRO  36           HG2      PRO  36  65.241 -11.975  -1.748
  268    HD2  PRO  36           HD3      PRO  36  62.637 -13.099  -1.765
  269    HD3  PRO  36           HD2      PRO  36  64.180 -13.976  -1.777
  270    HA   PRO  37           HA       PRO  37  60.242 -10.608   2.578
  271    HB2  PRO  37           HB3      PRO  37  61.410  -8.747   4.409
  272    HB3  PRO  37           HB2      PRO  37  60.533 -10.235   4.783
  273    HG2  PRO  37           HG3      PRO  37  63.240  -9.808   5.235
  274    HG3  PRO  37           HG2      PRO  37  62.450 -11.391   5.159
  275    HD2  PRO  37           HD3      PRO  37  64.055  -9.968   3.084
  276    HD3  PRO  37           HD2      PRO  37  63.944 -11.704   3.435
  277    HA   PRO  38           HA       PRO  38  60.368  -7.038  -0.067
  278    HB2  PRO  38           HB3      PRO  38  57.926  -6.000   0.525
  279    HB3  PRO  38           HB2      PRO  38  58.148  -7.421  -0.502
  280    HG2  PRO  38           HG3      PRO  38  57.414  -7.274   2.395
  281    HG3  PRO  38           HG2      PRO  38  56.750  -8.312   1.124
  282    HD2  PRO  38           HD3      PRO  38  58.568  -9.197   2.914
  283    HD3  PRO  38           HD2      PRO  38  58.504  -9.800   1.245
  284    H    SER  39           H        SER  39  59.310  -4.600   0.326
  285    HA   SER  39           HA       SER  39  60.942  -3.553   2.504
  286    HB2  SER  39           HB3      SER  39  59.459  -1.777   0.612
  287    HB3  SER  39           HB2      SER  39  61.050  -1.561   1.339
  288    HG   SER  39           HG       SER  39  61.579  -2.134  -0.655
  Start of MODEL    7
    1    H1   HIS   1           H1       HIS   1  65.227  18.472  -9.739
    2    H2   HIS   1           H2       HIS   1  65.607  18.684  -8.078
    3    H3   HIS   1           H3       HIS   1  64.080  18.050  -8.537
    4    HA   HIS   1           HA       HIS   1  64.949  16.061  -9.207
    5    HB2  HIS   1           HB3      HIS   1  67.387  15.716  -9.452
    6    HB3  HIS   1           HB2      HIS   1  66.790  16.983 -10.519
    7    HD1  HIS   1           HD1      HIS   1  69.386  17.703 -10.520
    8    HD2  HIS   1           HD2      HIS   1  67.318  18.269  -6.961
    9    HE1  HIS   1           HE1      HIS   1  70.786  19.304  -9.177
   10    HE2  HIS   1           HE2      HIS   1  69.556  19.565  -6.994
   11    H    GLY   2           H        GLY   2  64.308  17.373  -6.669
   12    HA2  GLY   2           HA3      GLY   2  65.477  15.367  -4.923
   13    HA3  GLY   2           HA2      GLY   2  65.859  17.033  -4.513
   14    H    GLU   3           H        GLU   3  63.445  18.272  -5.109
   15    HA   GLU   3           HA       GLU   3  61.376  18.720  -4.276
   16    HB2  GLU   3           HB3      GLU   3  61.242  16.066  -4.877
   17    HB3  GLU   3           HB2      GLU   3  60.877  16.037  -3.157
   18    HG2  GLU   3           HG3      GLU   3  58.784  16.261  -4.021
   19    HG3  GLU   3           HG2      GLU   3  59.214  17.955  -3.794
   20    H    GLY   4           H        GLY   4  62.526  16.185  -2.042
   21    HA2  GLY   4           HA3      GLY   4  63.470  16.626   0.103
   22    HA3  GLY   4           HA2      GLY   4  62.742  18.224   0.062
   23    H    THR   5           H        THR   5  60.129  17.304  -0.767
   24    HA   THR   5           HA       THR   5  59.139  16.543   1.838
   25    HB   THR   5           HB       THR   5  57.986  18.271   0.532
   26    HG1  THR   5           HG1      THR   5  56.822  16.761   1.955
   27   HG21  THR   5          HG21      THR   5  57.256  18.073  -1.563
   28   HG22  THR   5          HG22      THR   5  56.678  16.426  -1.309
   29   HG23  THR   5          HG23      THR   5  58.381  16.718  -1.664
   30    H    PHE   6           H        PHE   6  58.492  14.579   2.462
   31    HA   PHE   6           HA       PHE   6  59.102  12.284   0.980
   32    HB2  PHE   6           HB3      PHE   6  57.689  11.099   2.719
   33    HB3  PHE   6           HB2      PHE   6  59.000  12.093   3.350
   34    HD1  PHE   6           HD2      PHE   6  55.382  12.381   2.479
   35    HD2  PHE   6           HD1      PHE   6  58.541  13.491   5.109
   36    HE1  PHE   6           HE2      PHE   6  53.775  13.595   3.892
   37    HE2  PHE   6           HE1      PHE   6  56.938  14.706   6.525
   38    HZ   PHE   6           HZ       PHE   6  54.552  14.760   5.918
   39    H    THR   7           H        THR   7  57.446  10.523   0.518
   40    HA   THR   7           HA       THR   7  55.459  11.643  -1.273
   41    HB   THR   7           HB       THR   7  55.143   8.961  -1.510
   42    HG1  THR   7           HG1      THR   7  56.977   7.911  -1.069
   43   HG21  THR   7          HG21      THR   7  56.007   9.248  -3.534
   44   HG22  THR   7          HG22      THR   7  57.559   9.781  -2.892
   45   HG23  THR   7          HG23      THR   7  56.234  10.932  -3.068
   46    H    SER   8           H        SER   8  55.598   9.829   1.724
   47    HA   SER   8           HA       SER   8  54.021   9.292   3.270
   48    HB2  SER   8           HB3      SER   8  53.528  11.775   2.955
   49    HB3  SER   8           HB2      SER   8  52.195  11.277   1.912
   50    HG   SER   8           HG       SER   8  51.097  10.663   3.609
   51    H    ASP   9           H        ASP   9  54.009   8.100   0.450
   52    HA   ASP   9           HA       ASP   9  51.380   6.805   0.708
   53    HB2  ASP   9           HB3      ASP   9  51.346   6.581  -1.787
   54    HB3  ASP   9           HB2      ASP   9  51.226   8.245  -1.229
   55    H    LEU  10           H        LEU  10  53.986   6.086   1.729
   56    HA   LEU  10           HA       LEU  10  54.162   3.489   0.409
   57    HB2  LEU  10           HB3      LEU  10  56.539   3.390   1.203
   58    HB3  LEU  10           HB2      LEU  10  56.205   4.470  -0.138
   59    HG   LEU  10           HG       LEU  10  57.798   5.392   1.551
   60   HD11  LEU  10          HD11      LEU  10  57.155   7.450   0.985
   61   HD12  LEU  10          HD12      LEU  10  55.583   7.276   1.769
   62   HD13  LEU  10          HD13      LEU  10  55.827   6.658   0.136
   63   HD21  LEU  10          HD21      LEU  10  56.457   4.370   3.488
   64   HD22  LEU  10          HD22      LEU  10  55.431   5.797   3.343
   65   HD23  LEU  10          HD23      LEU  10  57.147   5.979   3.708
   66    H    SER  11           H        SER  11  52.850   4.854   2.814
   67    HA   SER  11           HA       SER  11  53.540   2.767   4.736
   68    HB2  SER  11           HB3      SER  11  54.244   4.883   5.652
   69    HB3  SER  11           HB2      SER  11  52.710   5.626   5.201
   70    H    LYS  12           H        LYS  12  51.109   4.634   3.148
   71    HA   LYS  12           HA       LYS  12  49.014   2.871   4.208
   72    HB2  LYS  12           HB3      LYS  12  49.096   5.798   3.624
   73    HB3  LYS  12           HB2      LYS  12  47.585   4.914   3.582
   74    HG2  LYS  12           HG3      LYS  12  47.494   4.717   5.820
   75    HG3  LYS  12           HG2      LYS  12  49.234   4.417   5.924
   76    HD2  LYS  12           HD3      LYS  12  48.745   6.492   7.046
   77    HD3  LYS  12           HD2      LYS  12  49.627   6.838   5.556
   78    HE2  LYS  12           HE2      LYS  12  47.414   7.263   4.457
   79    HE3  LYS  12           HE3      LYS  12  46.667   7.128   6.049
   80    HZ1  LYS  12           HZ1      LYS  12  47.383   9.435   5.098
   81    HZ2  LYS  12           HZ2      LYS  12  48.902   8.995   5.695
   82    HZ3  LYS  12           HZ3      LYS  12  47.578   9.089   6.743
   83    H    GLN  13           H        GLN  13  50.680   3.934   1.502
   84    HA   GLN  13           HA       GLN  13  48.525   2.992  -0.260
   85    HB2  GLN  13           HB3      GLN  13  48.922   5.382  -0.498
   86    HB3  GLN  13           HB2      GLN  13  50.617   5.073  -0.821
   87    HG2  GLN  13           HG3      GLN  13  50.213   4.804  -2.979
   88    HG3  GLN  13           HG2      GLN  13  49.020   3.553  -2.635
   89   HE21  GLN  13          HE21      GLN  13  46.971   4.713  -1.527
   90   HE22  GLN  13          HE22      GLN  13  46.312   5.983  -2.512
   91    H    MET  14           H        MET  14  52.035   3.063   0.278
   92    HA   MET  14           HA       MET  14  52.206   0.923  -1.754
   93    HB2  MET  14           HB3      MET  14  54.161   1.759  -2.415
   94    HB3  MET  14           HB2      MET  14  53.935   3.102  -1.312
   95    HG2  MET  14           HG3      MET  14  55.133   1.963   0.415
   96    HG3  MET  14           HG2      MET  14  55.215   0.487  -0.559
   97    HE1  MET  14           HE1      MET  14  56.338   2.321  -3.640
   98    HE2  MET  14           HE2      MET  14  55.856   0.746  -3.011
   99    HE3  MET  14           HE3      MET  14  57.560   1.096  -3.300
  100    H    GLU  15           H        GLU  15  52.211   1.658   1.547
  101    HA   GLU  15           HA       GLU  15  53.420  -0.862   2.287
  102    HB2  GLU  15           HB3      GLU  15  53.087   1.607   3.589
  103    HB3  GLU  15           HB2      GLU  15  52.109   0.452   4.480
  104    HG2  GLU  15           HG3      GLU  15  54.057  -1.005   4.700
  105    HG3  GLU  15           HG2      GLU  15  55.036   0.170   3.828
  106    H    GLU  16           H        GLU  16  50.288   0.810   2.009
  107    HA   GLU  16           HA       GLU  16  48.642  -1.034   3.293
  108    HB2  GLU  16           HB3      GLU  16  48.300   1.083   1.418
  109    HB3  GLU  16           HB2      GLU  16  47.369  -0.296   0.852
  110    HG2  GLU  16           HG3      GLU  16  46.295  -0.440   3.060
  111    HG3  GLU  16           HG2      GLU  16  47.174   1.001   3.558
  112    H    GLU  17           H        GLU  17  50.171  -1.105   0.160
  113    HA   GLU  17           HA       GLU  17  49.120  -3.724  -0.517
  114    HB2  GLU  17           HB3      GLU  17  49.860  -3.310  -2.643
  115    HB3  GLU  17           HB2      GLU  17  49.670  -1.655  -2.094
  116    HG2  GLU  17           HG3      GLU  17  52.087  -1.701  -1.459
  117    HG3  GLU  17           HG2      GLU  17  52.206  -3.243  -2.277
  118    H    DAL  18           H        ALA  18  52.030  -2.114   0.560
  119    HA   DAL  18           HA       ALA  18  53.898  -2.894   1.597
  120    HB1  DAL  18           HB1      ALA  18  54.972  -3.444  -0.313
  121    HB2  DAL  18           HB2      ALA  18  53.645  -4.452  -0.893
  122    HB3  DAL  18           HB3      ALA  18  54.770  -5.083   0.310
  123    H    VAL  19           H        VAL  19  51.632  -3.577   2.888
  124    HA   VAL  19           HA       VAL  19  52.420  -5.812   4.452
  125    HB   VAL  19           HB       VAL  19  49.715  -4.455   4.375
  126   HG11  VAL  19          HG11      VAL  19  49.405  -6.379   5.621
  127   HG12  VAL  19          HG12      VAL  19  49.844  -5.198   6.856
  128   HG13  VAL  19          HG13      VAL  19  51.045  -6.347   6.268
  129   HG21  VAL  19          HG21      VAL  19  50.828  -2.640   5.055
  130   HG22  VAL  19          HG22      VAL  19  52.307  -3.556   5.359
  131   HG23  VAL  19          HG23      VAL  19  51.036  -3.503   6.580
  132    H    ARG  20           H        ARG  20  50.164  -5.287   1.813
  133    HA   ARG  20           HA       ARG  20  48.789  -7.744   1.991
  134    HB2  ARG  20           HB3      ARG  20  49.295  -5.940  -0.384
  135    HB3  ARG  20           HB2      ARG  20  48.212  -7.323  -0.410
  136    HG2  ARG  20           HG3      ARG  20  47.596  -5.595   1.807
  137    HG3  ARG  20           HG2      ARG  20  47.591  -4.699   0.287
  138    HD2  ARG  20           HD3      ARG  20  46.036  -6.287  -0.677
  139    HD3  ARG  20           HD2      ARG  20  46.095  -7.268   0.786
  140    HE   ARG  20           HE       ARG  20  44.531  -4.920   0.355
  141   HH11  ARG  20          HH11      ARG  20  46.191  -6.779   2.798
  142   HH12  ARG  20          HH12      ARG  20  45.190  -6.209   4.091
  143   HH21  ARG  20          HH21      ARG  20  43.214  -4.166   2.055
  144   HH22  ARG  20          HH22      ARG  20  43.500  -4.726   3.668
  145    H    LEU  21           H        LEU  21  51.786  -6.751   0.394
  146    HA   LEU  21           HA       LEU  21  52.123  -9.457  -0.668
  147    HB2  LEU  21           HB3      LEU  21  53.918  -7.059  -0.971
  148    HB3  LEU  21           HB2      LEU  21  54.047  -8.579  -1.845
  149    HG   LEU  21           HG       LEU  21  51.774  -6.621  -2.026
  150   HD11  LEU  21          HD11      LEU  21  53.380  -7.359  -4.382
  151   HD12  LEU  21          HD12      LEU  21  54.195  -6.364  -3.173
  152   HD13  LEU  21          HD13      LEU  21  52.700  -5.801  -3.918
  153   HD21  LEU  21          HD21      LEU  21  50.775  -8.692  -2.362
  154   HD22  LEU  21          HD22      LEU  21  52.190  -9.348  -3.188
  155   HD23  LEU  21          HD23      LEU  21  51.172  -8.156  -3.995
  156    H    TYR  22           H        TYR  22  53.258  -7.409   1.878
  157    HA   TYR  22           HA       TYR  22  55.576  -8.912   2.564
  158    HB2  TYR  22           HB3      TYR  22  55.516  -6.729   3.427
  159    HB3  TYR  22           HB2      TYR  22  53.850  -6.871   3.933
  160    HD1  TYR  22           HD1      TYR  22  56.804  -9.035   4.605
  161    HD2  TYR  22           HD2      TYR  22  53.773  -6.502   6.163
  162    HE1  TYR  22           HE1      TYR  22  57.522  -9.590   6.888
  163    HE2  TYR  22           HE2      TYR  22  54.469  -7.039   8.440
  164    HH   TYR  22           HH       TYR  22  57.115  -8.037   9.379
  165    H    ILE  23           H        ILE  23  52.249  -8.719   3.648
  166    HA   ILE  23           HA       ILE  23  52.431 -10.864   5.491
  167    HB   ILE  23           HB       ILE  23  50.031  -9.695   4.061
  168   HG12  ILE  23          HG12      ILE  23  51.363  -8.215   5.642
  169   HG13  ILE  23          HG13      ILE  23  49.657  -8.409   6.024
  170   HG21  ILE  23          HG21      ILE  23  49.093 -11.629   4.716
  171   HG22  ILE  23          HG22      ILE  23  49.018 -10.812   6.277
  172   HG23  ILE  23          HG23      ILE  23  50.329 -11.939   5.934
  173   HD11  ILE  23          HD11      ILE  23  50.898  -8.527   8.048
  174   HD12  ILE  23          HD12      ILE  23  51.999  -9.725   7.371
  175   HD13  ILE  23          HD13      ILE  23  50.316 -10.151   7.684
  176    H    GLN  24           H        GLN  24  51.903 -10.512   2.041
  177    HA   GLN  24           HA       GLN  24  50.995 -13.163   1.518
  178    HB2  GLN  24           HB3      GLN  24  50.796 -11.352  -0.146
  179    HB3  GLN  24           HB2      GLN  24  52.544 -11.256  -0.253
  180    HG2  GLN  24           HG3      GLN  24  51.228 -13.860  -0.806
  181    HG3  GLN  24           HG2      GLN  24  51.140 -12.583  -2.022
  182   HE21  GLN  24          HE21      GLN  24  53.077 -14.975  -0.551
  183   HE22  GLN  24          HE22      GLN  24  54.517 -14.702  -1.465
  184    H    TRP  25           H        TRP  25  54.123 -11.547   1.504
  185    HA   TRP  25           HA       TRP  25  55.808 -13.680   0.854
  186    HB2  TRP  25           HB3      TRP  25  56.672 -11.419   0.985
  187    HB3  TRP  25           HB2      TRP  25  56.214 -11.297   2.681
  188    HD1  TRP  25           HD1      TRP  25  58.789 -13.006   0.415
  189    HE1  TRP  25           HE1      TRP  25  60.798 -13.699   1.862
  190    HE3  TRP  25           HE3      TRP  25  56.920 -11.804   4.998
  191    HZ2  TRP  25           HZ2      TRP  25  61.505 -13.710   4.607
  192    HZ3  TRP  25           HZ3      TRP  25  58.324 -12.167   6.984
  193    HH2  TRP  25           HH2      TRP  25  60.564 -13.114   6.787
  194    H    LEU  26           H        LEU  26  54.102 -12.796   3.737
  195    HA   LEU  26           HA       LEU  26  55.417 -14.760   5.407
  196    HB2  LEU  26           HB3      LEU  26  53.390 -12.613   5.787
  197    HB3  LEU  26           HB2      LEU  26  53.402 -13.930   6.933
  198    HG   LEU  26           HG       LEU  26  55.499 -11.846   6.450
  199   HD11  LEU  26          HD11      LEU  26  55.279 -11.438   8.765
  200   HD12  LEU  26          HD12      LEU  26  54.385 -12.937   9.019
  201   HD13  LEU  26          HD13      LEU  26  53.638 -11.604   8.141
  202   HD21  LEU  26          HD21      LEU  26  56.954 -13.164   8.001
  203   HD22  LEU  26          HD22      LEU  26  56.776 -13.856   6.391
  204   HD23  LEU  26          HD23      LEU  26  55.878 -14.537   7.745
  205    H    LYS  27           H        LYS  27  52.454 -14.394   3.569
  206    HA   LYS  27           HA       LYS  27  50.804 -16.281   4.691
  207    HB2  LYS  27           HB3      LYS  27  51.076 -15.025   2.104
  208    HB3  LYS  27           HB2      LYS  27  50.561 -16.696   1.924
  209    HG2  LYS  27           HG3      LYS  27  48.491 -16.061   2.373
  210    HG3  LYS  27           HG2      LYS  27  49.010 -15.629   4.004
  211    HD2  LYS  27           HD3      LYS  27  49.583 -13.383   3.237
  212    HD3  LYS  27           HD2      LYS  27  49.103 -13.814   1.594
  213    HE2  LYS  27           HE2      LYS  27  47.277 -12.636   2.521
  214    HE3  LYS  27           HE3      LYS  27  46.818 -14.338   2.532
  215    HZ1  LYS  27           HZ1      LYS  27  46.284 -13.875   4.651
  216    HZ2  LYS  27           HZ2      LYS  27  47.318 -12.541   4.753
  217    HZ3  LYS  27           HZ3      LYS  27  47.936 -14.106   4.936
  218    H    GLU  28           H        GLU  28  53.642 -16.795   2.709
  219    HA   GLU  28           HA       GLU  28  53.211 -19.679   2.671
  220    HB2  GLU  28           HB3      GLU  28  55.728 -18.494   1.622
  221    HB3  GLU  28           HB2      GLU  28  54.746 -19.800   0.974
  222    HG2  GLU  28           HG3      GLU  28  53.079 -17.684   0.656
  223    HG3  GLU  28           HG2      GLU  28  54.655 -16.921   0.443
  224    H    GLY  29           H        GLY  29  55.103 -17.267   4.332
  225    HA2  GLY  29           HA3      GLY  29  55.853 -18.026   6.577
  226    HA3  GLY  29           HA2      GLY  29  56.541 -19.425   5.745
  227    H    GLY  30           H        GLY  30  56.592 -16.270   4.326
  228    HA2  GLY  30           HA3      GLY  30  58.574 -15.410   3.311
  229    HA3  GLY  30           HA2      GLY  30  58.486 -14.717   4.913
  230    HA   PRO  31           HA       PRO  31  62.423 -16.357   5.817
  231    HB2  PRO  31           HB3      PRO  31  62.241 -16.787   8.478
  232    HB3  PRO  31           HB2      PRO  31  62.227 -15.161   7.782
  233    HG2  PRO  31           HG3      PRO  31  59.933 -16.831   8.724
  234    HG3  PRO  31           HG2      PRO  31  60.222 -15.101   8.955
  235    HD2  PRO  31           HD3      PRO  31  58.547 -16.117   7.070
  236    HD3  PRO  31           HD2      PRO  31  59.362 -14.580   6.907
  237    H    SER  32           H        SER  32  61.476 -18.344   4.500
  238    HA   SER  32           HA       SER  32  62.475 -20.675   5.667
  239    HB2  SER  32           HB3      SER  32  60.095 -20.196   6.828
  240    HB3  SER  32           HB2      SER  32  59.545 -21.090   5.409
  241    HG   SER  32           HG       SER  32  60.537 -22.855   6.112
  242    H    SER  33           H        SER  33  60.341 -19.211   3.303
  243    HA   SER  33           HA       SER  33  60.612 -21.465   1.488
  244    HB2  SER  33           HB3      SER  33  58.591 -19.660   1.888
  245    HB3  SER  33           HB2      SER  33  59.380 -19.004   0.447
  246    HG   SER  33           HG       SER  33  58.580 -21.712   0.728
  247    H    GLY  34           H        GLY  34  62.933 -19.692   2.280
  248    HA2  GLY  34           HA3      GLY  34  64.762 -18.726   1.287
  249    HA3  GLY  34           HA2      GLY  34  64.347 -19.730  -0.101
  250    H    ARG  35           H        ARG  35  62.128 -17.319   1.073
  251    HA   ARG  35           HA       ARG  35  62.569 -15.796  -1.397
  252    HB2  ARG  35           HB3      ARG  35  60.244 -16.790  -0.293
  253    HB3  ARG  35           HB2      ARG  35  60.211 -15.102   0.198
  254    HG2  ARG  35           HG3      ARG  35  59.039 -15.267  -1.853
  255    HG3  ARG  35           HG2      ARG  35  60.584 -14.489  -2.201
  256    HD2  ARG  35           HD3      ARG  35  60.518 -17.434  -2.422
  257    HD3  ARG  35           HD2      ARG  35  59.596 -16.540  -3.631
  258    HE   ARG  35           HE       ARG  35  61.990 -15.288  -3.640
  259   HH11  ARG  35          HH11      ARG  35  61.058 -18.639  -3.925
  260   HH12  ARG  35          HH12      ARG  35  62.409 -19.060  -4.920
  261   HH21  ARG  35          HH21      ARG  35  63.768 -15.840  -4.952
  262   HH22  ARG  35          HH22      ARG  35  63.948 -17.471  -5.504
  263    HA   PRO  36           HA       PRO  36  64.263 -12.525   1.114
  264    HB2  PRO  36           HB3      PRO  36  64.429 -10.607  -0.757
  265    HB3  PRO  36           HB2      PRO  36  65.489 -12.023  -0.784
  266    HG2  PRO  36           HG3      PRO  36  62.980 -11.511  -2.339
  267    HG3  PRO  36           HG2      PRO  36  64.533 -12.148  -2.910
  268    HD2  PRO  36           HD3      PRO  36  62.412 -13.743  -2.335
  269    HD3  PRO  36           HD2      PRO  36  64.096 -14.269  -2.122
  270    HA   PRO  37           HA       PRO  37  60.150 -10.913   2.285
  271    HB2  PRO  37           HB3      PRO  37  61.462  -9.359   4.292
  272    HB3  PRO  37           HB2      PRO  37  60.501 -10.827   4.506
  273    HG2  PRO  37           HG3      PRO  37  63.416 -10.488   4.451
  274    HG3  PRO  37           HG2      PRO  37  62.450 -11.803   5.130
  275    HD2  PRO  37           HD3      PRO  37  63.953 -12.043   2.867
  276    HD3  PRO  37           HD2      PRO  37  62.495 -13.002   3.179
  277    HA   PRO  38           HA       PRO  38  60.398  -7.022   0.180
  278    HB2  PRO  38           HB3      PRO  38  58.029  -5.960   0.912
  279    HB3  PRO  38           HB2      PRO  38  58.148  -7.319  -0.215
  280    HG2  PRO  38           HG3      PRO  38  57.530  -7.342   2.715
  281    HG3  PRO  38           HG2      PRO  38  56.750  -8.233   1.399
  282    HD2  PRO  38           HD3      PRO  38  58.600  -9.351   3.036
  283    HD3  PRO  38           HD2      PRO  38  58.390  -9.841   1.343
  284    H    SER  39           H        SER  39  59.477  -4.607   0.902
  285    HA   SER  39           HA       SER  39  60.349  -3.987   3.605
  286    HB2  SER  39           HB3      SER  39  62.065  -2.448   2.972
  287    HB3  SER  39           HB2      SER  39  62.395  -3.948   2.109
  288    HG   SER  39           HG       SER  39  61.327  -2.991   0.287
  Start of MODEL    8
    1    H1   HIS   1           H1       HIS   1  65.338  16.610   9.670
    2    H2   HIS   1           H2       HIS   1  65.586  16.005  11.255
    3    H3   HIS   1           H3       HIS   1  66.863  16.797  10.427
    4    HA   HIS   1           HA       HIS   1  65.668  18.079  12.184
    5    HB2  HIS   1           HB3      HIS   1  65.836  20.122  10.832
    6    HB3  HIS   1           HB2      HIS   1  67.184  19.039  10.500
    7    HD1  HIS   1           HD1      HIS   1  64.013  20.353   8.958
    8    HD2  HIS   1           HD2      HIS   1  67.363  18.140   7.888
    9    HE1  HIS   1           HE1      HIS   1  63.920  20.158   6.453
   10    HE2  HIS   1           HE2      HIS   1  66.000  18.887   5.822
   11    H    GLY   2           H        GLY   2  63.612  16.244  11.152
   12    HA2  GLY   2           HA3      GLY   2  61.287  17.111  11.933
   13    HA3  GLY   2           HA2      GLY   2  61.432  18.095  10.485
   14    H    GLU   3           H        GLU   3  60.941  17.229   8.533
   15    HA   GLU   3           HA       GLU   3  60.421  14.338   8.414
   16    HB2  GLU   3           HB3      GLU   3  58.389  16.109   8.596
   17    HB3  GLU   3           HB2      GLU   3  58.612  16.085   6.853
   18    HG2  GLU   3           HG3      GLU   3  57.740  14.039   6.646
   19    HG3  GLU   3           HG2      GLU   3  58.559  13.435   8.084
   20    H    GLY   4           H        GLY   4  62.112  13.774   7.138
   21    HA2  GLY   4           HA3      GLY   4  62.549  15.297   4.660
   22    HA3  GLY   4           HA2      GLY   4  63.703  14.194   5.397
   23    H    THR   5           H        THR   5  63.318  11.914   5.233
   24    HA   THR   5           HA       THR   5  63.022  10.088   3.895
   25    HB   THR   5           HB       THR   5  60.911  10.200   5.197
   26    HG1  THR   5           HG1      THR   5  61.297   8.476   3.725
   27   HG21  THR   5          HG21      THR   5  58.843  10.794   3.853
   28   HG22  THR   5          HG22      THR   5  59.927  11.700   2.799
   29   HG23  THR   5          HG23      THR   5  59.792  12.131   4.504
   30    H    PHE   6           H        PHE   6  61.340   9.479   1.808
   31    HA   PHE   6           HA       PHE   6  62.062  11.456  -0.254
   32    HB2  PHE   6           HB3      PHE   6  62.343   9.466  -1.798
   33    HB3  PHE   6           HB2      PHE   6  63.578   9.649  -0.559
   34    HD1  PHE   6           HD2      PHE   6  63.280   8.274   1.594
   35    HD2  PHE   6           HD1      PHE   6  61.219   7.457  -2.038
   36    HE1  PHE   6           HE2      PHE   6  62.858   5.973   2.355
   37    HE2  PHE   6           HE1      PHE   6  60.791   5.154  -1.283
   38    HZ   PHE   6           HZ       PHE   6  61.612   4.409   0.916
   39    H    THR   7           H        THR   7  59.898   8.789   0.619
   40    HA   THR   7           HA       THR   7  57.792  10.093  -0.964
   41    HB   THR   7           HB       THR   7  58.032   7.097  -0.763
   42    HG1  THR   7           HG1      THR   7  59.172   7.073  -2.611
   43   HG21  THR   7          HG21      THR   7  56.275   8.971  -2.184
   44   HG22  THR   7          HG22      THR   7  55.986   7.313  -1.649
   45   HG23  THR   7          HG23      THR   7  56.878   7.618  -3.140
   46    H    SER   8           H        SER   8  55.650   9.767  -0.208
   47    HA   SER   8           HA       SER   8  55.526   8.950   2.620
   48    HB2  SER   8           HB3      SER   8  53.984  10.643   3.051
   49    HB3  SER   8           HB2      SER   8  55.063  11.412   1.887
   50    HG   SER   8           HG       SER   8  53.555  11.012   0.276
   51    H    ASP   9           H        ASP   9  54.476   8.177  -0.503
   52    HA   ASP   9           HA       ASP   9  52.060   6.820   0.441
   53    HB2  ASP   9           HB3      ASP   9  53.045   7.773  -2.178
   54    HB3  ASP   9           HB2      ASP   9  52.198   6.229  -2.215
   55    H    LEU  10           H        LEU  10  54.571   5.930   1.344
   56    HA   LEU  10           HA       LEU  10  54.564   3.268   0.142
   57    HB2  LEU  10           HB3      LEU  10  56.905   3.049   1.032
   58    HB3  LEU  10           HB2      LEU  10  56.685   4.095  -0.357
   59    HG   LEU  10           HG       LEU  10  57.000   6.060   0.931
   60   HD11  LEU  10          HD11      LEU  10  55.722   5.673   2.879
   61   HD12  LEU  10          HD12      LEU  10  57.383   5.897   3.424
   62   HD13  LEU  10          HD13      LEU  10  56.698   4.276   3.331
   63   HD21  LEU  10          HD21      LEU  10  59.064   4.956   0.394
   64   HD22  LEU  10          HD22      LEU  10  58.930   3.927   1.821
   65   HD23  LEU  10          HD23      LEU  10  59.195   5.663   2.006
   66    H    SER  11           H        SER  11  53.380   4.873   2.546
   67    HA   SER  11           HA       SER  11  53.867   2.774   4.516
   68    HB2  SER  11           HB3      SER  11  54.709   4.844   5.386
   69    HB3  SER  11           HB2      SER  11  53.259   5.699   4.859
   70    H    LYS  12           H        LYS  12  51.570   4.732   2.840
   71    HA   LYS  12           HA       LYS  12  49.367   3.158   3.979
   72    HB2  LYS  12           HB3      LYS  12  49.629   6.040   3.241
   73    HB3  LYS  12           HB2      LYS  12  48.068   5.247   3.243
   74    HG2  LYS  12           HG3      LYS  12  47.971   5.160   5.493
   75    HG3  LYS  12           HG2      LYS  12  49.696   4.791   5.613
   76    HD2  LYS  12           HD3      LYS  12  49.154   6.969   6.620
   77    HD3  LYS  12           HD2      LYS  12  50.251   7.126   5.246
   78    HE2  LYS  12           HE2      LYS  12  48.746   8.262   4.013
   79    HE3  LYS  12           HE3      LYS  12  47.390   7.293   4.588
   80    HZ1  LYS  12           HZ1      LYS  12  47.827   9.842   5.278
   81    HZ2  LYS  12           HZ2      LYS  12  48.569   9.040   6.569
   82    HZ3  LYS  12           HZ3      LYS  12  46.941   8.745   6.215
   83    H    GLN  13           H        GLN  13  51.102   3.933   1.228
   84    HA   GLN  13           HA       GLN  13  48.888   3.029  -0.477
   85    HB2  GLN  13           HB3      GLN  13  49.372   5.378  -0.849
   86    HB3  GLN  13           HB2      GLN  13  51.057   4.994  -1.153
   87    HG2  GLN  13           HG3      GLN  13  50.670   4.427  -3.272
   88    HG3  GLN  13           HG2      GLN  13  49.221   3.514  -2.857
   89   HE21  GLN  13          HE21      GLN  13  49.698   5.326  -5.084
   90   HE22  GLN  13          HE22      GLN  13  48.490   6.568  -4.963
   91    H    MET  14           H        MET  14  52.397   2.949   0.050
   92    HA   MET  14           HA       MET  14  52.450   0.718  -1.892
   93    HB2  MET  14           HB3      MET  14  54.442   1.422  -2.594
   94    HB3  MET  14           HB2      MET  14  54.290   2.823  -1.555
   95    HG2  MET  14           HG3      MET  14  55.441   1.704   0.220
   96    HG3  MET  14           HG2      MET  14  55.445   0.184  -0.688
   97    HE1  MET  14           HE1      MET  14  58.871   0.201  -1.901
   98    HE2  MET  14           HE2      MET  14  57.405  -0.639  -1.397
   99    HE3  MET  14           HE3      MET  14  58.384   0.220  -0.206
  100    H    GLU  15           H        GLU  15  52.500   1.587   1.372
  101    HA   GLU  15           HA       GLU  15  53.567  -0.976   2.201
  102    HB2  GLU  15           HB3      GLU  15  53.276   1.585   3.448
  103    HB3  GLU  15           HB2      GLU  15  52.473   0.367   4.426
  104    HG2  GLU  15           HG3      GLU  15  54.526  -0.958   4.451
  105    HG3  GLU  15           HG2      GLU  15  55.333   0.274   3.481
  106    H    GLU  16           H        GLU  16  50.538   0.890   1.895
  107    HA   GLU  16           HA       GLU  16  48.812  -0.821   3.272
  108    HB2  GLU  16           HB3      GLU  16  48.554   1.254   1.324
  109    HB3  GLU  16           HB2      GLU  16  47.527  -0.089   0.842
  110    HG2  GLU  16           HG3      GLU  16  46.497  -0.081   3.067
  111    HG3  GLU  16           HG2      GLU  16  47.492   1.303   3.508
  112    H    GLU  17           H        GLU  17  50.263  -1.044   0.107
  113    HA   GLU  17           HA       GLU  17  49.078  -3.627  -0.480
  114    HB2  GLU  17           HB3      GLU  17  49.785  -3.295  -2.633
  115    HB3  GLU  17           HB2      GLU  17  49.690  -1.621  -2.119
  116    HG2  GLU  17           HG3      GLU  17  52.113  -1.752  -1.550
  117    HG3  GLU  17           HG2      GLU  17  52.146  -3.333  -2.301
  118    H    DAL  18           H        ALA  18  52.077  -2.126   0.501
  119    HA   DAL  18           HA       ALA  18  53.932  -2.963   1.517
  120    HB1  DAL  18           HB1      ALA  18  54.955  -3.592  -0.392
  121    HB2  DAL  18           HB2      ALA  18  53.568  -4.526  -0.951
  122    HB3  DAL  18           HB3      ALA  18  54.673  -5.216   0.237
  123    H    VAL  19           H        VAL  19  51.657  -3.548   2.863
  124    HA   VAL  19           HA       VAL  19  52.404  -5.769   4.459
  125    HB   VAL  19           HB       VAL  19  49.734  -4.345   4.360
  126   HG11  VAL  19          HG11      VAL  19  49.713  -5.083   6.799
  127   HG12  VAL  19          HG12      VAL  19  51.008  -6.194   6.353
  128   HG13  VAL  19          HG13      VAL  19  49.428  -6.326   5.581
  129   HG21  VAL  19          HG21      VAL  19  50.609  -2.616   5.467
  130   HG22  VAL  19          HG22      VAL  19  52.181  -3.236   4.963
  131   HG23  VAL  19          HG23      VAL  19  51.531  -3.669   6.543
  132    H    ARG  20           H        ARG  20  50.112  -5.258   1.845
  133    HA   ARG  20           HA       ARG  20  48.719  -7.699   2.077
  134    HB2  ARG  20           HB3      ARG  20  49.216  -6.010  -0.385
  135    HB3  ARG  20           HB2      ARG  20  48.030  -7.301  -0.260
  136    HG2  ARG  20           HG3      ARG  20  47.784  -5.265   1.821
  137    HG3  ARG  20           HG2      ARG  20  47.540  -4.658   0.183
  138    HD2  ARG  20           HD3      ARG  20  45.813  -6.268  -0.223
  139    HD3  ARG  20           HD2      ARG  20  46.145  -7.080   1.306
  140    HE   ARG  20           HE       ARG  20  45.514  -4.585   2.095
  141   HH11  ARG  20          HH11      ARG  20  43.928  -6.842  -0.046
  142   HH12  ARG  20          HH12      ARG  20  42.339  -6.253   0.312
  143   HH21  ARG  20          HH21      ARG  20  43.425  -3.812   2.564
  144   HH22  ARG  20          HH22      ARG  20  42.053  -4.535   1.792
  145    H    LEU  21           H        LEU  21  51.685  -6.759   0.393
  146    HA   LEU  21           HA       LEU  21  51.981  -9.481  -0.634
  147    HB2  LEU  21           HB3      LEU  21  53.801  -7.111  -0.992
  148    HB3  LEU  21           HB2      LEU  21  53.882  -8.635  -1.863
  149    HG   LEU  21           HG       LEU  21  51.641  -6.637  -1.994
  150   HD11  LEU  21          HD11      LEU  21  54.040  -6.417  -3.192
  151   HD12  LEU  21          HD12      LEU  21  52.538  -5.834  -3.910
  152   HD13  LEU  21          HD13      LEU  21  53.190  -7.404  -4.382
  153   HD21  LEU  21          HD21      LEU  21  51.963  -9.392  -3.086
  154   HD22  LEU  21          HD22      LEU  21  51.041  -8.192  -3.994
  155   HD23  LEU  21          HD23      LEU  21  50.550  -8.627  -2.356
  156    H    TYR  22           H        TYR  22  53.179  -7.417   1.872
  157    HA   TYR  22           HA       TYR  22  55.503  -8.924   2.525
  158    HB2  TYR  22           HB3      TYR  22  55.469  -6.735   3.379
  159    HB3  TYR  22           HB2      TYR  22  53.810  -6.868   3.914
  160    HD1  TYR  22           HD1      TYR  22  56.748  -9.064   4.550
  161    HD2  TYR  22           HD2      TYR  22  53.788  -6.467   6.139
  162    HE1  TYR  22           HE1      TYR  22  57.498  -9.610   6.826
  163    HE2  TYR  22           HE2      TYR  22  54.517  -6.995   8.410
  164    HH   TYR  22           HH       TYR  22  55.769  -9.102   9.509
  165    H    ILE  23           H        ILE  23  52.199  -8.702   3.671
  166    HA   ILE  23           HA       ILE  23  52.394 -10.829   5.530
  167    HB   ILE  23           HB       ILE  23  49.991  -9.647   4.119
  168   HG12  ILE  23          HG12      ILE  23  51.340  -8.175   5.683
  169   HG13  ILE  23          HG13      ILE  23  49.642  -8.366   6.098
  170   HG21  ILE  23          HG21      ILE  23  48.777 -10.726   6.087
  171   HG22  ILE  23          HG22      ILE  23  50.224 -11.719   6.261
  172   HG23  ILE  23          HG23      ILE  23  49.294 -11.770   4.764
  173   HD11  ILE  23          HD11      ILE  23  50.909  -8.494   8.100
  174   HD12  ILE  23          HD12      ILE  23  52.010  -9.679   7.400
  175   HD13  ILE  23          HD13      ILE  23  50.336 -10.121   7.735
  176    H    GLN  24           H        GLN  24  51.802 -10.511   2.086
  177    HA   GLN  24           HA       GLN  24  50.878 -13.164   1.606
  178    HB2  GLN  24           HB3      GLN  24  50.665 -11.355  -0.062
  179    HB3  GLN  24           HB2      GLN  24  52.412 -11.291  -0.215
  180    HG2  GLN  24           HG3      GLN  24  51.021 -13.870  -0.715
  181    HG3  GLN  24           HG2      GLN  24  50.958 -12.603  -1.944
  182   HE21  GLN  24          HE21      GLN  24  52.628 -15.240  -0.892
  183   HE22  GLN  24          HE22      GLN  24  54.148 -14.941  -1.659
  184    H    TRP  25           H        TRP  25  54.015 -11.566   1.495
  185    HA   TRP  25           HA       TRP  25  55.678 -13.708   0.840
  186    HB2  TRP  25           HB3      TRP  25  56.549 -11.449   0.931
  187    HB3  TRP  25           HB2      TRP  25  56.120 -11.307   2.635
  188    HD1  TRP  25           HD1      TRP  25  58.653 -13.051   0.345
  189    HE1  TRP  25           HE1      TRP  25  60.691 -13.712   1.762
  190    HE3  TRP  25           HE3      TRP  25  56.873 -11.779   4.947
  191    HZ2  TRP  25           HZ2      TRP  25  61.456 -13.675   4.488
  192    HZ3  TRP  25           HZ3      TRP  25  58.321 -12.103   6.907
  193    HH2  TRP  25           HH2      TRP  25  60.557 -13.047   6.678
  194    H    LEU  26           H        LEU  26  54.038 -12.792   3.753
  195    HA   LEU  26           HA       LEU  26  55.383 -14.740   5.413
  196    HB2  LEU  26           HB3      LEU  26  53.370 -12.583   5.806
  197    HB3  LEU  26           HB2      LEU  26  53.375 -13.897   6.956
  198    HG   LEU  26           HG       LEU  26  55.457 -11.806   6.484
  199   HD11  LEU  26          HD11      LEU  26  53.630 -11.646   8.220
  200   HD12  LEU  26          HD12      LEU  26  55.280 -11.471   8.813
  201   HD13  LEU  26          HD13      LEU  26  54.418 -12.994   9.040
  202   HD21  LEU  26          HD21      LEU  26  55.911 -14.518   7.707
  203   HD22  LEU  26          HD22      LEU  26  56.978 -13.134   7.946
  204   HD23  LEU  26          HD23      LEU  26  56.751 -13.806   6.332
  205    H    LYS  27           H        LYS  27  52.371 -14.380   3.647
  206    HA   LYS  27           HA       LYS  27  50.768 -16.286   4.814
  207    HB2  LYS  27           HB3      LYS  27  50.949 -15.012   2.221
  208    HB3  LYS  27           HB2      LYS  27  50.416 -16.678   2.060
  209    HG2  LYS  27           HG3      LYS  27  48.591 -16.272   3.604
  210    HG3  LYS  27           HG2      LYS  27  49.147 -14.616   3.850
  211    HD2  LYS  27           HD3      LYS  27  48.736 -15.344   1.041
  212    HD3  LYS  27           HD2      LYS  27  47.271 -15.391   2.023
  213    HE2  LYS  27           HE2      LYS  27  48.430 -13.052   2.832
  214    HE3  LYS  27           HE3      LYS  27  48.872 -13.108   1.125
  215    HZ1  LYS  27           HZ1      LYS  27  46.855 -12.164   0.899
  216    HZ2  LYS  27           HZ2      LYS  27  46.260 -12.780   2.356
  217    HZ3  LYS  27           HZ3      LYS  27  46.304 -13.763   0.980
  218    H    GLU  28           H        GLU  28  53.558 -16.750   2.765
  219    HA   GLU  28           HA       GLU  28  53.143 -19.636   2.682
  220    HB2  GLU  28           HB3      GLU  28  55.266 -19.577   1.299
  221    HB3  GLU  28           HB2      GLU  28  53.875 -18.751   0.611
  222    HG2  GLU  28           HG3      GLU  28  54.812 -16.692   0.828
  223    HG3  GLU  28           HG2      GLU  28  55.747 -17.146   2.252
  224    H    GLY  29           H        GLY  29  55.046 -17.247   4.358
  225    HA2  GLY  29           HA3      GLY  29  55.850 -18.064   6.567
  226    HA3  GLY  29           HA2      GLY  29  56.541 -19.425   5.680
  227    H    GLY  30           H        GLY  30  56.567 -16.299   4.241
  228    HA2  GLY  30           HA3      GLY  30  58.532 -15.388   3.267
  229    HA3  GLY  30           HA2      GLY  30  58.438 -14.709   4.873
  230    HA   PRO  31           HA       PRO  31  62.408 -16.303   5.721
  231    HB2  PRO  31           HB3      PRO  31  62.290 -16.603   8.399
  232    HB3  PRO  31           HB2      PRO  31  62.241 -15.012   7.629
  233    HG2  PRO  31           HG3      PRO  31  59.989 -16.660   8.706
  234    HG3  PRO  31           HG2      PRO  31  60.264 -14.916   8.844
  235    HD2  PRO  31           HD3      PRO  31  58.558 -16.057   7.048
  236    HD3  PRO  31           HD2      PRO  31  59.332 -14.508   6.804
  237    H    SER  32           H        SER  32  61.059 -18.366   4.599
  238    HA   SER  32           HA       SER  32  62.288 -20.638   5.681
  239    HB2  SER  32           HB3      SER  32  60.477 -20.331   7.405
  240    HB3  SER  32           HB2      SER  32  59.297 -20.627   6.130
  241    HG   SER  32           HG       SER  32  60.364 -22.673   5.806
  242    H    SER  33           H        SER  33  61.953 -19.373   3.155
  243    HA   SER  33           HA       SER  33  61.280 -21.663   1.579
  244    HB2  SER  33           HB3      SER  33  59.076 -20.274   2.149
  245    HB3  SER  33           HB2      SER  33  59.648 -19.291   0.796
  246    HG   SER  33           HG       SER  33  58.721 -21.918   0.832
  247    H    GLY  34           H        GLY  34  63.518 -19.812   2.050
  248    HA2  GLY  34           HA3      GLY  34  65.114 -18.640   0.876
  249    HA3  GLY  34           HA2      GLY  34  64.630 -19.676  -0.466
  250    H    ARG  35           H        ARG  35  62.673 -17.222   1.157
  251    HA   ARG  35           HA       ARG  35  62.587 -15.735  -1.387
  252    HB2  ARG  35           HB3      ARG  35  60.482 -16.955  -0.198
  253    HB3  ARG  35           HB2      ARG  35  60.383 -15.368   0.551
  254    HG2  ARG  35           HG3      ARG  35  59.126 -14.903  -1.252
  255    HG3  ARG  35           HG2      ARG  35  60.696 -14.646  -2.018
  256    HD2  ARG  35           HD3      ARG  35  60.606 -17.131  -2.613
  257    HD3  ARG  35           HD2      ARG  35  58.899 -17.048  -2.177
  258    HE   ARG  35           HE       ARG  35  59.716 -15.043  -4.070
  259   HH11  ARG  35          HH11      ARG  35  58.580 -18.319  -3.679
  260   HH12  ARG  35          HH12      ARG  35  57.919 -18.413  -5.278
  261   HH21  ARG  35          HH21      ARG  35  58.850 -15.164  -6.173
  262   HH22  ARG  35          HH22      ARG  35  58.073 -16.621  -6.694
  263    HA   PRO  36           HA       PRO  36  64.295 -12.431   1.100
  264    HB2  PRO  36           HB3      PRO  36  64.424 -10.544  -0.797
  265    HB3  PRO  36           HB2      PRO  36  65.504 -11.946  -0.817
  266    HG2  PRO  36           HG3      PRO  36  62.977 -11.485  -2.359
  267    HG3  PRO  36           HG2      PRO  36  64.533 -12.111  -2.934
  268    HD2  PRO  36           HD3      PRO  36  62.423 -13.716  -2.312
  269    HD3  PRO  36           HD2      PRO  36  64.117 -14.229  -2.135
  270    HA   PRO  37           HA       PRO  37  60.144 -10.895   2.231
  271    HB2  PRO  37           HB3      PRO  37  61.392  -9.281   4.226
  272    HB3  PRO  37           HB2      PRO  37  60.483 -10.780   4.453
  273    HG2  PRO  37           HG3      PRO  37  63.386 -10.336   4.405
  274    HG3  PRO  37           HG2      PRO  37  62.463 -11.672   5.105
  275    HD2  PRO  37           HD3      PRO  37  63.980 -11.900   2.848
  276    HD3  PRO  37           HD2      PRO  37  62.560 -12.905   3.176
  277    HA   PRO  38           HA       PRO  38  60.296  -7.027   0.073
  278    HB2  PRO  38           HB3      PRO  38  57.912  -6.000   0.817
  279    HB3  PRO  38           HB2      PRO  38  58.047  -7.368  -0.296
  280    HG2  PRO  38           HG3      PRO  38  57.458  -7.373   2.639
  281    HG3  PRO  38           HG2      PRO  38  56.682  -8.292   1.340
  282    HD2  PRO  38           HD3      PRO  38  58.566  -9.364   2.966
  283    HD3  PRO  38           HD2      PRO  38  58.357  -9.868   1.276
  284    H    SER  39           H        SER  39  59.347  -4.620   0.760
  285    HA   SER  39           HA       SER  39  61.132  -3.823   2.899
  286    HB2  SER  39           HB3      SER  39  60.046  -1.492   2.126
  287    HB3  SER  39           HB2      SER  39  61.363  -2.261   1.242
  288    HG   SER  39           HG       SER  39  58.734  -1.890   0.524
  Start of MODEL    9
    1    H1   HIS   1           H1       HIS   1  65.553  14.598   7.990
    2    H2   HIS   1           H2       HIS   1  66.761  14.332   9.179
    3    H3   HIS   1           H3       HIS   1  65.157  14.717   9.653
    4    HA   HIS   1           HA       HIS   1  66.157  12.257   8.398
    5    HB2  HIS   1           HB3      HIS   1  65.298  13.153  11.077
    6    HB3  HIS   1           HB2      HIS   1  64.647  11.596  10.572
    7    HD1  HIS   1           HD1      HIS   1  68.127  12.926   9.873
    8    HD2  HIS   1           HD2      HIS   1  66.235   9.901  12.000
    9    HE1  HIS   1           HE1      HIS   1  69.976  11.472  10.762
   10    HE2  HIS   1           HE2      HIS   1  68.811   9.693  12.112
   11    H    GLY   2           H        GLY   2  63.146  13.438   9.907
   12    HA2  GLY   2           HA3      GLY   2  61.448  11.733   8.479
   13    HA3  GLY   2           HA2      GLY   2  60.953  13.219   9.277
   14    H    GLU   3           H        GLU   3  59.560  12.712   7.134
   15    HA   GLU   3           HA       GLU   3  58.832  13.638   5.188
   16    HB2  GLU   3           HB3      GLU   3  60.155  15.683   6.381
   17    HB3  GLU   3           HB2      GLU   3  61.074  15.535   4.889
   18    HG2  GLU   3           HG3      GLU   3  59.121  15.900   3.569
   19    HG3  GLU   3           HG2      GLU   3  58.082  15.819   4.991
   20    H    GLY   4           H        GLY   4  62.368  14.027   4.897
   21    HA2  GLY   4           HA3      GLY   4  63.866  12.911   3.529
   22    HA3  GLY   4           HA2      GLY   4  62.569  11.826   3.052
   23    H    THR   5           H        THR   5  62.390  11.858   0.914
   24    HA   THR   5           HA       THR   5  61.805  14.335  -0.433
   25    HB   THR   5           HB       THR   5  63.799  13.181  -2.088
   26    HG1  THR   5           HG1      THR   5  64.817  12.249  -0.379
   27   HG21  THR   5          HG21      THR   5  64.355  15.610  -0.467
   28   HG22  THR   5          HG22      THR   5  63.057  15.643  -1.662
   29   HG23  THR   5          HG23      THR   5  64.707  15.274  -2.162
   30    H    PHE   6           H        PHE   6  62.682  10.920  -0.890
   31    HA   PHE   6           HA       PHE   6  60.406  10.686  -2.747
   32    HB2  PHE   6           HB3      PHE   6  61.743   8.852  -3.866
   33    HB3  PHE   6           HB2      PHE   6  62.353  10.485  -4.103
   34    HD1  PHE   6           HD2      PHE   6  64.345  11.244  -2.820
   35    HD2  PHE   6           HD1      PHE   6  63.034   7.196  -2.794
   36    HE1  PHE   6           HE2      PHE   6  66.549  10.541  -1.981
   37    HE2  PHE   6           HE1      PHE   6  65.233   6.485  -1.953
   38    HZ   PHE   6           HZ       PHE   6  66.995   8.158  -1.545
   39    H    THR   7           H        THR   7  60.406  10.262   0.100
   40    HA   THR   7           HA       THR   7  59.466   7.501   0.105
   41    HB   THR   7           HB       THR   7  61.446   8.567   2.127
   42    HG1  THR   7           HG1      THR   7  62.530   7.915   0.320
   43   HG21  THR   7          HG21      THR   7  61.332   5.906   2.567
   44   HG22  THR   7          HG22      THR   7  59.642   6.260   2.202
   45   HG23  THR   7          HG23      THR   7  60.462   7.113   3.512
   46    H    SER   8           H        SER   8  57.451   7.581   0.804
   47    HA   SER   8           HA       SER   8  56.681   8.602   3.298
   48    HB2  SER   8           HB3      SER   8  57.047  10.763   1.953
   49    HB3  SER   8           HB2      SER   8  55.602  10.305   1.053
   50    HG   SER   8           HG       SER   8  54.550  10.183   3.165
   51    H    ASP   9           H        ASP   9  55.675   7.853  -0.001
   52    HA   ASP   9           HA       ASP   9  53.133   6.788   1.002
   53    HB2  ASP   9           HB3      ASP   9  54.128   7.645  -1.687
   54    HB3  ASP   9           HB2      ASP   9  52.848   6.439  -1.608
   55    H    LEU  10           H        LEU  10  55.628   5.501   1.569
   56    HA   LEU  10           HA       LEU  10  55.062   2.967   0.232
   57    HB2  LEU  10           HB3      LEU  10  57.434   2.337   0.731
   58    HB3  LEU  10           HB2      LEU  10  57.201   3.540  -0.521
   59    HG   LEU  10           HG       LEU  10  58.015   5.291   0.846
   60   HD11  LEU  10          HD11      LEU  10  56.938   4.913   2.921
   61   HD12  LEU  10          HD12      LEU  10  58.672   4.850   3.239
   62   HD13  LEU  10          HD13      LEU  10  57.740   3.356   3.135
   63   HD21  LEU  10          HD21      LEU  10  60.223   4.388   1.631
   64   HD22  LEU  10          HD22      LEU  10  59.805   4.011  -0.040
   65   HD23  LEU  10          HD23      LEU  10  59.631   2.781   1.212
   66    H    SER  11           H        SER  11  54.380   4.500   2.823
   67    HA   SER  11           HA       SER  11  54.828   2.236   4.611
   68    HB2  SER  11           HB3      SER  11  56.031   4.129   5.473
   69    HB3  SER  11           HB2      SER  11  54.645   5.182   5.195
   70    H    LYS  12           H        LYS  12  52.625   4.536   3.295
   71    HA   LYS  12           HA       LYS  12  50.381   3.183   4.623
   72    HB2  LYS  12           HB3      LYS  12  50.961   6.054   4.069
   73    HB3  LYS  12           HB2      LYS  12  49.305   5.488   4.142
   74    HG2  LYS  12           HG3      LYS  12  49.359   5.228   6.374
   75    HG3  LYS  12           HG2      LYS  12  51.002   4.577   6.315
   76    HD2  LYS  12           HD3      LYS  12  51.027   6.664   7.531
   77    HD3  LYS  12           HD2      LYS  12  51.865   6.871   5.991
   78    HE2  LYS  12           HE2      LYS  12  50.276   8.265   5.157
   79    HE3  LYS  12           HE3      LYS  12  48.966   7.470   6.033
   80    HZ1  LYS  12           HZ1      LYS  12  49.162   9.524   7.061
   81    HZ2  LYS  12           HZ2      LYS  12  50.852   9.521   7.006
   82    HZ3  LYS  12           HZ3      LYS  12  50.042   8.508   8.091
   83    H    GLN  13           H        GLN  13  51.864   4.036   1.733
   84    HA   GLN  13           HA       GLN  13  49.382   3.513   0.249
   85    HB2  GLN  13           HB3      GLN  13  50.132   5.800  -0.038
   86    HB3  GLN  13           HB2      GLN  13  51.717   5.234  -0.532
   87    HG2  GLN  13           HG3      GLN  13  50.980   5.392  -2.620
   88    HG3  GLN  13           HG2      GLN  13  50.020   3.953  -2.279
   89   HE21  GLN  13          HE21      GLN  13  49.979   7.466  -2.303
   90   HE22  GLN  13          HE22      GLN  13  48.261   7.629  -2.503
   91    H    MET  14           H        MET  14  52.882   2.937   0.376
   92    HA   MET  14           HA       MET  14  52.426   0.869  -1.690
   93    HB2  MET  14           HB3      MET  14  54.390   1.389  -2.596
   94    HB3  MET  14           HB2      MET  14  54.555   2.703  -1.448
   95    HG2  MET  14           HG3      MET  14  55.754   1.310   0.073
   96    HG3  MET  14           HG2      MET  14  55.424  -0.125  -0.909
   97    HE1  MET  14           HE1      MET  14  59.274   0.325  -1.310
   98    HE2  MET  14           HE2      MET  14  58.032  -0.925  -1.380
   99    HE3  MET  14           HE3      MET  14  58.126   0.146   0.016
  100    H    GLU  15           H        GLU  15  52.906   1.477   1.584
  101    HA   GLU  15           HA       GLU  15  53.744  -1.243   2.140
  102    HB2  GLU  15           HB3      GLU  15  53.946   1.233   3.534
  103    HB3  GLU  15           HB2      GLU  15  53.044   0.107   4.535
  104    HG2  GLU  15           HG3      GLU  15  54.875  -1.531   4.255
  105    HG3  GLU  15           HG2      GLU  15  55.790  -0.313   3.364
  106    H    GLU  16           H        GLU  16  50.963   0.976   2.253
  107    HA   GLU  16           HA       GLU  16  49.175  -0.571   3.729
  108    HB2  GLU  16           HB3      GLU  16  49.004   1.606   1.896
  109    HB3  GLU  16           HB2      GLU  16  47.787   0.421   1.440
  110    HG2  GLU  16           HG3      GLU  16  46.952   0.433   3.756
  111    HG3  GLU  16           HG2      GLU  16  48.123   1.688   4.148
  112    H    GLU  17           H        GLU  17  50.356  -0.873   0.475
  113    HA   GLU  17           HA       GLU  17  48.820  -3.283  -0.077
  114    HB2  GLU  17           HB3      GLU  17  49.298  -2.913  -2.281
  115    HB3  GLU  17           HB2      GLU  17  49.451  -1.265  -1.705
  116    HG2  GLU  17           HG3      GLU  17  51.909  -1.755  -1.400
  117    HG3  GLU  17           HG2      GLU  17  51.633  -3.221  -2.315
  118    H    DAL  18           H        ALA  18  52.045  -2.096   0.559
  119    HA   DAL  18           HA       ALA  18  53.932  -3.120   1.308
  120    HB1  DAL  18           HB1      ALA  18  53.098  -4.600  -1.098
  121    HB2  DAL  18           HB2      ALA  18  54.280  -5.409  -0.071
  122    HB3  DAL  18           HB3      ALA  18  54.629  -3.809  -0.724
  123    H    VAL  19           H        VAL  19  51.587  -3.618   2.791
  124    HA   VAL  19           HA       VAL  19  52.421  -5.818   4.384
  125    HB   VAL  19           HB       VAL  19  49.810  -4.283   4.401
  126   HG11  VAL  19          HG11      VAL  19  49.193  -6.085   5.643
  127   HG12  VAL  19          HG12      VAL  19  50.025  -5.171   6.901
  128   HG13  VAL  19          HG13      VAL  19  50.853  -6.491   6.079
  129   HG21  VAL  19          HG21      VAL  19  52.258  -3.294   4.941
  130   HG22  VAL  19          HG22      VAL  19  51.812  -3.921   6.527
  131   HG23  VAL  19          HG23      VAL  19  50.778  -2.735   5.723
  132    H    ARG  20           H        ARG  20  50.089  -5.363   1.813
  133    HA   ARG  20           HA       ARG  20  48.673  -7.795   2.169
  134    HB2  ARG  20           HB3      ARG  20  49.062  -6.274  -0.415
  135    HB3  ARG  20           HB2      ARG  20  47.764  -7.396  -0.030
  136    HG2  ARG  20           HG3      ARG  20  48.059  -5.068   1.762
  137    HG3  ARG  20           HG2      ARG  20  47.510  -4.739   0.117
  138    HD2  ARG  20           HD3      ARG  20  46.151  -7.026   1.257
  139    HD3  ARG  20           HD2      ARG  20  45.958  -5.591   2.264
  140    HE   ARG  20           HE       ARG  20  45.478  -5.134  -0.538
  141   HH11  ARG  20          HH11      ARG  20  44.059  -6.121   2.494
  142   HH12  ARG  20          HH12      ARG  20  42.448  -5.696   2.023
  143   HH21  ARG  20          HH21      ARG  20  43.360  -4.573  -1.159
  144   HH22  ARG  20          HH22      ARG  20  42.051  -4.817  -0.051
  145    H    LEU  21           H        LEU  21  51.529  -6.836   0.339
  146    HA   LEU  21           HA       LEU  21  51.849  -9.538  -0.719
  147    HB2  LEU  21           HB3      LEU  21  53.779  -7.265  -1.034
  148    HB3  LEU  21           HB2      LEU  21  53.562  -8.662  -2.078
  149    HG   LEU  21           HG       LEU  21  51.550  -6.456  -1.711
  150   HD11  LEU  21          HD11      LEU  21  52.393  -5.381  -3.517
  151   HD12  LEU  21          HD12      LEU  21  52.933  -6.874  -4.285
  152   HD13  LEU  21          HD13      LEU  21  53.885  -6.158  -2.985
  153   HD21  LEU  21          HD21      LEU  21  50.133  -7.586  -3.038
  154   HD22  LEU  21          HD22      LEU  21  51.052  -8.993  -2.500
  155   HD23  LEU  21          HD23      LEU  21  51.428  -8.233  -4.047
  156    H    TYR  22           H        TYR  22  53.077  -7.491   1.795
  157    HA   TYR  22           HA       TYR  22  55.434  -8.958   2.387
  158    HB2  TYR  22           HB3      TYR  22  55.360  -6.792   3.289
  159    HB3  TYR  22           HB2      TYR  22  53.712  -6.976   3.840
  160    HD1  TYR  22           HD1      TYR  22  56.700  -9.119   4.403
  161    HD2  TYR  22           HD2      TYR  22  53.716  -6.603   6.073
  162    HE1  TYR  22           HE1      TYR  22  57.493  -9.686   6.657
  163    HE2  TYR  22           HE2      TYR  22  54.489  -7.152   8.325
  164    HH   TYR  22           HH       TYR  22  56.561  -7.969   9.425
  165    H    ILE  23           H        ILE  23  52.162  -8.830   3.643
  166    HA   ILE  23           HA       ILE  23  52.444 -10.995   5.437
  167    HB   ILE  23           HB       ILE  23  49.988  -9.848   4.086
  168   HG12  ILE  23          HG12      ILE  23  51.335  -8.389   5.668
  169   HG13  ILE  23          HG13      ILE  23  49.642  -8.617   6.088
  170   HG21  ILE  23          HG21      ILE  23  49.043 -11.031   6.299
  171   HG22  ILE  23          HG22      ILE  23  50.355 -12.136   5.890
  172   HG23  ILE  23          HG23      ILE  23  49.082 -11.803   4.715
  173   HD11  ILE  23          HD11      ILE  23  51.188 -10.645   7.351
  174   HD12  ILE  23          HD12      ILE  23  50.229  -9.358   8.085
  175   HD13  ILE  23          HD13      ILE  23  51.922  -9.074   7.672
  176    H    GLN  24           H        GLN  24  51.835 -10.629   2.014
  177    HA   GLN  24           HA       GLN  24  50.954 -13.284   1.468
  178    HB2  GLN  24           HB3      GLN  24  50.808 -11.294  -0.098
  179    HB3  GLN  24           HB2      GLN  24  52.528 -11.485  -0.383
  180    HG2  GLN  24           HG3      GLN  24  51.405 -12.536  -2.173
  181    HG3  GLN  24           HG2      GLN  24  52.061 -13.814  -1.147
  182   HE21  GLN  24          HE21      GLN  24  50.724 -15.304  -0.346
  183   HE22  GLN  24          HE22      GLN  24  49.003 -15.283  -0.503
  184    H    TRP  25           H        TRP  25  54.069 -11.630   1.388
  185    HA   TRP  25           HA       TRP  25  55.762 -13.740   0.692
  186    HB2  TRP  25           HB3      TRP  25  56.612 -11.483   0.802
  187    HB3  TRP  25           HB2      TRP  25  56.165 -11.344   2.499
  188    HD1  TRP  25           HD1      TRP  25  58.734 -13.075   0.239
  189    HE1  TRP  25           HE1      TRP  25  60.768 -13.703   1.673
  190    HE3  TRP  25           HE3      TRP  25  56.915 -11.778   4.818
  191    HZ2  TRP  25           HZ2      TRP  25  61.517 -13.633   4.402
  192    HZ3  TRP  25           HZ3      TRP  25  58.351 -12.073   6.791
  193    HH2  TRP  25           HH2      TRP  25  60.595 -12.999   6.586
  194    H    LEU  26           H        LEU  26  54.126 -12.881   3.623
  195    HA   LEU  26           HA       LEU  26  55.505 -14.832   5.253
  196    HB2  LEU  26           HB3      LEU  26  53.442 -12.726   5.689
  197    HB3  LEU  26           HB2      LEU  26  53.520 -14.044   6.831
  198    HG   LEU  26           HG       LEU  26  55.556 -11.914   6.291
  199   HD11  LEU  26          HD11      LEU  26  54.527 -13.021   8.889
  200   HD12  LEU  26          HD12      LEU  26  53.735 -11.702   8.028
  201   HD13  LEU  26          HD13      LEU  26  55.388 -11.507   8.613
  202   HD21  LEU  26          HD21      LEU  26  56.875 -13.891   6.203
  203   HD22  LEU  26          HD22      LEU  26  56.023 -14.595   7.575
  204   HD23  LEU  26          HD23      LEU  26  57.075 -13.200   7.812
  205    H    LYS  27           H        LYS  27  52.500 -14.503   3.476
  206    HA   LYS  27           HA       LYS  27  50.905 -16.431   4.617
  207    HB2  LYS  27           HB3      LYS  27  51.050 -15.088   2.095
  208    HB3  LYS  27           HB2      LYS  27  50.698 -16.786   1.804
  209    HG2  LYS  27           HG3      LYS  27  48.583 -16.442   2.337
  210    HG3  LYS  27           HG2      LYS  27  49.065 -15.923   3.952
  211    HD2  LYS  27           HD3      LYS  27  49.327 -13.644   3.179
  212    HD3  LYS  27           HD2      LYS  27  48.970 -14.137   1.522
  213    HE2  LYS  27           HE2      LYS  27  46.949 -13.261   2.271
  214    HE3  LYS  27           HE3      LYS  27  46.745 -15.000   2.481
  215    HZ1  LYS  27           HZ1      LYS  27  46.775 -14.825   4.726
  216    HZ2  LYS  27           HZ2      LYS  27  46.182 -13.279   4.385
  217    HZ3  LYS  27           HZ3      LYS  27  47.821 -13.494   4.740
  218    H    GLU  28           H        GLU  28  53.755 -16.859   2.654
  219    HA   GLU  28           HA       GLU  28  53.372 -19.753   2.560
  220    HB2  GLU  28           HB3      GLU  28  55.775 -18.332   1.462
  221    HB3  GLU  28           HB2      GLU  28  55.029 -19.829   0.916
  222    HG2  GLU  28           HG3      GLU  28  53.015 -18.113   0.450
  223    HG3  GLU  28           HG2      GLU  28  54.394 -17.034   0.242
  224    H    GLY  29           H        GLY  29  55.188 -17.324   4.259
  225    HA2  GLY  29           HA3      GLY  29  55.992 -18.114   6.474
  226    HA3  GLY  29           HA2      GLY  29  56.728 -19.461   5.597
  227    H    GLY  30           H        GLY  30  56.683 -16.339   4.149
  228    HA2  GLY  30           HA3      GLY  30  58.634 -15.384   3.188
  229    HA3  GLY  30           HA2      GLY  30  58.503 -14.698   4.788
  230    HA   PRO  31           HA       PRO  31  62.504 -16.176   5.699
  231    HB2  PRO  31           HB3      PRO  31  62.349 -16.499   8.375
  232    HB3  PRO  31           HB2      PRO  31  62.277 -14.905   7.613
  233    HG2  PRO  31           HG3      PRO  31  60.046 -16.609   8.644
  234    HG3  PRO  31           HG2      PRO  31  60.278 -14.862   8.796
  235    HD2  PRO  31           HD3      PRO  31  58.628 -16.025   6.966
  236    HD3  PRO  31           HD2      PRO  31  59.376 -14.463   6.739
  237    H    SER  32           H        SER  32  61.411 -18.254   4.498
  238    HA   SER  32           HA       SER  32  62.586 -20.500   5.699
  239    HB2  SER  32           HB3      SER  32  60.222 -20.006   6.940
  240    HB3  SER  32           HB2      SER  32  59.682 -21.057   5.631
  241    HG   SER  32           HG       SER  32  60.336 -22.165   7.584
  242    H    SER  33           H        SER  33  60.066 -19.345   3.513
  243    HA   SER  33           HA       SER  33  59.965 -21.547   1.792
  244    HB2  SER  33           HB3      SER  33  58.470 -19.414   1.898
  245    HB3  SER  33           HB2      SER  33  59.653 -18.736   0.772
  246    HG   SER  33           HG       SER  33  57.623 -20.178   0.127
  247    H    GLY  34           H        GLY  34  62.181 -18.826   1.938
  248    HA2  GLY  34           HA3      GLY  34  64.478 -19.479   1.140
  249    HA3  GLY  34           HA2      GLY  34  63.666 -19.995  -0.338
  250    H    ARG  35           H        ARG  35  61.907 -17.430   0.367
  251    HA   ARG  35           HA       ARG  35  63.600 -15.645  -1.217
  252    HB2  ARG  35           HB3      ARG  35  61.513 -14.418  -1.689
  253    HB3  ARG  35           HB2      ARG  35  61.411 -16.108  -2.169
  254    HG2  ARG  35           HG3      ARG  35  60.449 -16.128   0.410
  255    HG3  ARG  35           HG2      ARG  35  59.835 -14.614  -0.248
  256    HD2  ARG  35           HD3      ARG  35  58.247 -16.405  -0.638
  257    HD3  ARG  35           HD2      ARG  35  58.912 -15.831  -2.166
  258    HE   ARG  35           HE       ARG  35  60.335 -18.078  -1.102
  259   HH11  ARG  35          HH11      ARG  35  57.545 -17.112  -2.964
  260   HH12  ARG  35          HH12      ARG  35  57.436 -18.616  -3.813
  261   HH21  ARG  35          HH21      ARG  35  60.191 -20.058  -2.218
  262   HH22  ARG  35          HH22      ARG  35  58.937 -20.290  -3.390
  263    HA   PRO  36           HA       PRO  36  63.893 -12.825   2.176
  264    HB2  PRO  36           HB3      PRO  36  64.502 -10.554   0.908
  265    HB3  PRO  36           HB2      PRO  36  65.587 -11.949   0.856
  266    HG2  PRO  36           HG3      PRO  36  63.750 -10.900  -1.231
  267    HG3  PRO  36           HG2      PRO  36  65.311 -11.716  -1.412
  268    HD2  PRO  36           HD3      PRO  36  62.744 -12.878  -1.657
  269    HD3  PRO  36           HD2      PRO  36  64.298 -13.734  -1.608
  270    HA   PRO  37           HA       PRO  37  60.117 -10.593   2.726
  271    HB2  PRO  37           HB3      PRO  37  61.253  -8.713   4.569
  272    HB3  PRO  37           HB2      PRO  37  60.349 -10.187   4.932
  273    HG2  PRO  37           HG3      PRO  37  63.039  -9.803   5.464
  274    HG3  PRO  37           HG2      PRO  37  62.240 -11.378   5.337
  275    HD2  PRO  37           HD3      PRO  37  63.912  -9.932   3.331
  276    HD3  PRO  37           HD2      PRO  37  63.796 -11.672   3.662
  277    HA   PRO  38           HA       PRO  38  60.222  -7.077   0.005
  278    HB2  PRO  38           HB3      PRO  38  57.796  -5.998   0.693
  279    HB3  PRO  38           HB2      PRO  38  57.993  -7.369  -0.405
  280    HG2  PRO  38           HG3      PRO  38  57.288  -7.354   2.501
  281    HG3  PRO  38           HG2      PRO  38  56.624  -8.343   1.190
  282    HD2  PRO  38           HD3      PRO  38  58.433  -9.315   2.924
  283    HD3  PRO  38           HD2      PRO  38  58.407  -9.810   1.217
  284    H    SER  39           H        SER  39  59.191  -4.617   0.410
  285    HA   SER  39           HA       SER  39  59.724  -3.511   2.970
  286    HB2  SER  39           HB3      SER  39  62.042  -4.073   1.689
  287    HB3  SER  39           HB2      SER  39  61.733  -2.449   1.071
  288    HG   SER  39           HG       SER  39  62.866  -2.209   2.951
  Start of MODEL   10
    1    H1   HIS   1           H1       HIS   1  50.390  17.864   8.856
    2    H2   HIS   1           H2       HIS   1  51.238  17.600   7.389
    3    H3   HIS   1           H3       HIS   1  50.728  19.181   7.814
    4    HA   HIS   1           HA       HIS   1  52.838  19.347   8.425
    5    HB2  HIS   1           HB3      HIS   1  52.985  19.103  10.828
    6    HB3  HIS   1           HB2      HIS   1  51.347  19.593  10.409
    7    HD1  HIS   1           HD1      HIS   1  51.208  16.231   9.561
    8    HD2  HIS   1           HD2      HIS   1  51.463  18.201  13.211
    9    HE1  HIS   1           HE1      HIS   1  50.362  14.593  11.269
   10    HE2  HIS   1           HE2      HIS   1  50.446  15.836  13.458
   11    H    GLY   2           H        GLY   2  53.168  17.370   6.747
   12    HA2  GLY   2           HA3      GLY   2  55.289  15.826   7.908
   13    HA3  GLY   2           HA2      GLY   2  53.886  14.841   7.518
   14    H    GLU   3           H        GLU   3  55.315  17.611   5.810
   15    HA   GLU   3           HA       GLU   3  55.583  15.877   3.445
   16    HB2  GLU   3           HB3      GLU   3  55.334  18.887   3.485
   17    HB3  GLU   3           HB2      GLU   3  55.293  17.841   2.072
   18    HG2  GLU   3           HG3      GLU   3  53.274  17.464   4.229
   19    HG3  GLU   3           HG2      GLU   3  53.091  18.793   3.086
   20    H    GLY   4           H        GLY   4  57.432  16.089   2.121
   21    HA2  GLY   4           HA3      GLY   4  59.530  17.722   2.118
   22    HA3  GLY   4           HA2      GLY   4  59.809  16.857   3.623
   23    H    THR   5           H        THR   5  61.197  15.245   3.433
   24    HA   THR   5           HA       THR   5  61.998  14.215   0.903
   25    HB   THR   5           HB       THR   5  62.639  12.741   3.413
   26    HG1  THR   5           HG1      THR   5  63.750  15.277   2.813
   27   HG21  THR   5          HG21      THR   5  64.939  13.571   2.042
   28   HG22  THR   5          HG22      THR   5  63.788  13.036   0.818
   29   HG23  THR   5          HG23      THR   5  64.249  11.951   2.129
   30    H    PHE   6           H        PHE   6  62.222  11.675   0.786
   31    HA   PHE   6           HA       PHE   6  59.666  10.650   0.300
   32    HB2  PHE   6           HB3      PHE   6  60.800   8.495  -0.058
   33    HB3  PHE   6           HB2      PHE   6  61.666   9.815  -0.834
   34    HD1  PHE   6           HD2      PHE   6  63.787  10.621   0.088
   35    HD2  PHE   6           HD1      PHE   6  61.771   7.256   1.737
   36    HE1  PHE   6           HE2      PHE   6  65.849   9.964   1.261
   37    HE2  PHE   6           HE1      PHE   6  63.828   6.594   2.913
   38    HZ   PHE   6           HZ       PHE   6  65.870   7.950   2.675
   39    H    THR   7           H        THR   7  59.574   8.092   1.314
   40    HA   THR   7           HA       THR   7  59.077   6.813   3.143
   41    HB   THR   7           HB       THR   7  59.939   9.037   4.973
   42    HG1  THR   7           HG1      THR   7  61.654   7.115   3.796
   43   HG21  THR   7          HG21      THR   7  59.716   7.525   6.561
   44   HG22  THR   7          HG22      THR   7  60.875   6.479   5.739
   45   HG23  THR   7          HG23      THR   7  59.154   6.349   5.373
   46    H    SER   8           H        SER   8  57.129   8.287   1.867
   47    HA   SER   8           HA       SER   8  55.339   8.917   4.113
   48    HB2  SER   8           HB3      SER   8  55.456  10.430   1.494
   49    HB3  SER   8           HB2      SER   8  54.335  10.739   2.820
   50    HG   SER   8           HG       SER   8  57.154  10.858   3.093
   51    H    ASP   9           H        ASP   9  55.575   7.900   0.715
   52    HA   ASP   9           HA       ASP   9  52.872   6.755   0.954
   53    HB2  ASP   9           HB3      ASP   9  54.025   8.308  -1.078
   54    HB3  ASP   9           HB2      ASP   9  53.953   6.676  -1.733
   55    H    LEU  10           H        LEU  10  55.291   5.550   2.019
   56    HA   LEU  10           HA       LEU  10  55.007   3.023   0.590
   57    HB2  LEU  10           HB3      LEU  10  57.346   2.457   1.317
   58    HB3  LEU  10           HB2      LEU  10  57.186   3.620   0.014
   59    HG   LEU  10           HG       LEU  10  58.963   4.186   1.663
   60   HD11  LEU  10          HD11      LEU  10  58.663   6.373   1.271
   61   HD12  LEU  10          HD12      LEU  10  57.050   6.386   1.980
   62   HD13  LEU  10          HD13      LEU  10  57.279   5.822   0.328
   63   HD21  LEU  10          HD21      LEU  10  57.569   3.343   3.627
   64   HD22  LEU  10          HD22      LEU  10  56.742   4.900   3.554
   65   HD23  LEU  10          HD23      LEU  10  58.477   4.838   3.861
   66    H    SER  11           H        SER  11  53.915   4.463   2.989
   67    HA   SER  11           HA       SER  11  54.277   2.271   4.883
   68    HB2  SER  11           HB3      SER  11  55.299   4.215   5.860
   69    HB3  SER  11           HB2      SER  11  53.931   5.219   5.390
   70    H    LYS  12           H        LYS  12  52.191   4.500   3.284
   71    HA   LYS  12           HA       LYS  12  49.827   3.105   4.326
   72    HB2  LYS  12           HB3      LYS  12  50.404   5.979   3.768
   73    HB3  LYS  12           HB2      LYS  12  48.765   5.367   3.679
   74    HG2  LYS  12           HG3      LYS  12  48.590   5.149   5.912
   75    HG3  LYS  12           HG2      LYS  12  50.259   4.591   6.054
   76    HD2  LYS  12           HD3      LYS  12  49.991   6.730   7.182
   77    HD3  LYS  12           HD2      LYS  12  51.052   6.894   5.779
   78    HE2  LYS  12           HE2      LYS  12  49.481   8.070   4.563
   79    HE3  LYS  12           HE3      LYS  12  48.126   7.417   5.485
   80    HZ1  LYS  12           HZ1      LYS  12  49.817   9.711   6.046
   81    HZ2  LYS  12           HZ2      LYS  12  49.406   8.762   7.385
   82    HZ3  LYS  12           HZ3      LYS  12  48.190   9.445   6.428
   83    H    GLN  13           H        GLN  13  51.651   3.977   1.630
   84    HA   GLN  13           HA       GLN  13  49.399   3.360  -0.151
   85    HB2  GLN  13           HB3      GLN  13  50.148   5.668  -0.353
   86    HB3  GLN  13           HB2      GLN  13  51.781   5.113  -0.678
   87    HG2  GLN  13           HG3      GLN  13  51.333   5.026  -2.839
   88    HG3  GLN  13           HG2      GLN  13  50.064   3.842  -2.531
   89   HE21  GLN  13          HE21      GLN  13  48.111   5.124  -1.348
   90   HE22  GLN  13          HE22      GLN  13  47.525   6.451  -2.302
   91    H    MET  14           H        MET  14  52.873   2.905   0.415
   92    HA   MET  14           HA       MET  14  52.750   0.800  -1.660
   93    HB2  MET  14           HB3      MET  14  54.810   1.370  -2.289
   94    HB3  MET  14           HB2      MET  14  54.773   2.698  -1.145
   95    HG2  MET  14           HG3      MET  14  55.801   1.371   0.539
   96    HG3  MET  14           HG2      MET  14  55.628  -0.096  -0.437
   97    HE1  MET  14           HE1      MET  14  56.283   0.065  -2.899
   98    HE2  MET  14           HE2      MET  14  58.017   0.140  -3.208
   99    HE3  MET  14           HE3      MET  14  57.004   1.548  -3.520
  100    H    GLU  15           H        GLU  15  52.756   1.455   1.636
  101    HA   GLU  15           HA       GLU  15  53.599  -1.220   2.361
  102    HB2  GLU  15           HB3      GLU  15  53.684   1.236   3.676
  103    HB3  GLU  15           HB2      GLU  15  52.450   0.318   4.526
  104    HG2  GLU  15           HG3      GLU  15  54.074  -1.530   4.766
  105    HG3  GLU  15           HG2      GLU  15  55.304  -0.501   4.041
  106    H    GLU  16           H        GLU  16  50.743   0.893   2.072
  107    HA   GLU  16           HA       GLU  16  48.839  -0.720   3.310
  108    HB2  GLU  16           HB3      GLU  16  48.825   1.458   1.477
  109    HB3  GLU  16           HB2      GLU  16  47.715   0.238   0.873
  110    HG2  GLU  16           HG3      GLU  16  46.579   0.211   3.037
  111    HG3  GLU  16           HG2      GLU  16  47.677   1.456   3.623
  112    H    GLU  17           H        GLU  17  50.431  -0.976   0.232
  113    HA   GLU  17           HA       GLU  17  49.050  -3.435  -0.499
  114    HB2  GLU  17           HB3      GLU  17  49.784  -3.046  -2.630
  115    HB3  GLU  17           HB2      GLU  17  49.800  -1.393  -2.044
  116    HG2  GLU  17           HG3      GLU  17  52.213  -1.767  -1.440
  117    HG3  GLU  17           HG2      GLU  17  52.122  -3.259  -2.347
  118    H    DAL  18           H        ALA  18  52.124  -2.135   0.534
  119    HA   DAL  18           HA       ALA  18  53.942  -3.093   1.500
  120    HB1  DAL  18           HB1      ALA  18  54.889  -3.707  -0.456
  121    HB2  DAL  18           HB2      ALA  18  53.467  -4.605  -0.987
  122    HB3  DAL  18           HB3      ALA  18  54.585  -5.326   0.169
  123    H    VAL  19           H        VAL  19  51.648  -3.611   2.858
  124    HA   VAL  19           HA       VAL  19  52.323  -5.864   4.417
  125    HB   VAL  19           HB       VAL  19  49.671  -4.409   4.297
  126   HG11  VAL  19          HG11      VAL  19  49.184  -6.262   5.552
  127   HG12  VAL  19          HG12      VAL  19  49.792  -5.181   6.806
  128   HG13  VAL  19          HG13      VAL  19  50.838  -6.435   6.139
  129   HG21  VAL  19          HG21      VAL  19  52.122  -3.337   4.942
  130   HG22  VAL  19          HG22      VAL  19  51.456  -3.790   6.510
  131   HG23  VAL  19          HG23      VAL  19  50.552  -2.709   5.447
  132    H    ARG  20           H        ARG  20  50.117  -5.349   1.737
  133    HA   ARG  20           HA       ARG  20  48.694  -7.786   1.979
  134    HB2  ARG  20           HB3      ARG  20  49.195  -6.075  -0.468
  135    HB3  ARG  20           HB2      ARG  20  48.026  -7.385  -0.371
  136    HG2  ARG  20           HG3      ARG  20  47.541  -5.607   1.790
  137    HG3  ARG  20           HG2      ARG  20  47.686  -4.659   0.309
  138    HD2  ARG  20           HD3      ARG  20  46.110  -6.449  -0.699
  139    HD3  ARG  20           HD2      ARG  20  45.741  -6.835   0.982
  140    HE   ARG  20           HE       ARG  20  44.537  -4.895   1.131
  141   HH11  ARG  20          HH11      ARG  20  46.519  -4.778  -1.738
  142   HH12  ARG  20          HH12      ARG  20  45.781  -3.332  -2.341
  143   HH21  ARG  20          HH21      ARG  20  43.563  -2.992   0.339
  144   HH22  ARG  20          HH22      ARG  20  44.104  -2.318  -1.161
  145    H    LEU  21           H        LEU  21  51.658  -6.833   0.307
  146    HA   LEU  21           HA       LEU  21  51.973  -9.549  -0.736
  147    HB2  LEU  21           HB3      LEU  21  53.853  -7.226  -1.053
  148    HB3  LEU  21           HB2      LEU  21  53.787  -8.693  -2.020
  149    HG   LEU  21           HG       LEU  21  51.622  -6.609  -1.906
  150   HD11  LEU  21          HD11      LEU  21  53.215  -7.094  -4.352
  151   HD12  LEU  21          HD12      LEU  21  53.995  -6.201  -3.047
  152   HD13  LEU  21          HD13      LEU  21  52.490  -5.604  -3.750
  153   HD21  LEU  21          HD21      LEU  21  50.357  -7.920  -3.211
  154   HD22  LEU  21          HD22      LEU  21  51.364  -9.227  -2.588
  155   HD23  LEU  21          HD23      LEU  21  51.736  -8.492  -4.147
  156    H    TYR  22           H        TYR  22  53.160  -7.484   1.779
  157    HA   TYR  22           HA       TYR  22  55.493  -8.965   2.433
  158    HB2  TYR  22           HB3      TYR  22  55.422  -6.785   3.308
  159    HB3  TYR  22           HB2      TYR  22  53.763  -6.949   3.836
  160    HD1  TYR  22           HD2      TYR  22  56.718  -9.118   4.464
  161    HD2  TYR  22           HD1      TYR  22  53.739  -6.552   6.067
  162    HE1  TYR  22           HE2      TYR  22  57.470  -9.676   6.737
  163    HE2  TYR  22           HE1      TYR  22  54.466  -7.093   8.335
  164    HH   TYR  22           HH       TYR  22  56.738  -7.932   9.400
  165    H    ILE  23           H        ILE  23  52.198  -8.785   3.623
  166    HA   ILE  23           HA       ILE  23  52.416 -10.920   5.456
  167    HB   ILE  23           HB       ILE  23  50.007  -9.776   4.024
  168   HG12  ILE  23          HG12      ILE  23  51.310  -8.302   5.621
  169   HG13  ILE  23          HG13      ILE  23  49.612  -8.528   6.014
  170   HG21  ILE  23          HG21      ILE  23  49.010 -10.932   6.246
  171   HG22  ILE  23          HG22      ILE  23  50.300 -12.062   5.832
  172   HG23  ILE  23          HG23      ILE  23  49.041 -11.693   4.656
  173   HD11  ILE  23          HD11      ILE  23  51.883  -8.996   7.627
  174   HD12  ILE  23          HD12      ILE  23  51.101 -10.550   7.332
  175   HD13  ILE  23          HD13      ILE  23  50.181  -9.218   8.034
  176    H    GLN  24           H        GLN  24  51.857 -10.620   2.011
  177    HA   GLN  24           HA       GLN  24  50.984 -13.286   1.512
  178    HB2  GLN  24           HB3      GLN  24  50.866 -11.323  -0.099
  179    HB3  GLN  24           HB2      GLN  24  52.587 -11.539  -0.363
  180    HG2  GLN  24           HG3      GLN  24  51.498 -12.630  -2.137
  181    HG3  GLN  24           HG2      GLN  24  52.080 -13.896  -1.055
  182   HE21  GLN  24          HE21      GLN  24  50.685 -15.394  -0.455
  183   HE22  GLN  24          HE22      GLN  24  48.966 -15.290  -0.587
  184    H    TRP  25           H        TRP  25  54.102 -11.640   1.418
  185    HA   TRP  25           HA       TRP  25  55.795 -13.770   0.787
  186    HB2  TRP  25           HB3      TRP  25  56.642 -11.508   0.861
  187    HB3  TRP  25           HB2      TRP  25  56.196 -11.345   2.559
  188    HD1  TRP  25           HD1      TRP  25  58.770 -13.091   0.318
  189    HE1  TRP  25           HE1      TRP  25  60.800 -13.713   1.761
  190    HE3  TRP  25           HE3      TRP  25  56.930 -11.779   4.884
  191    HZ2  TRP  25           HZ2      TRP  25  61.537 -13.632   4.496
  192    HZ3  TRP  25           HZ3      TRP  25  58.360 -12.064   6.863
  193    HH2  TRP  25           HH2      TRP  25  60.608 -12.987   6.671
  194    H    LEU  26           H        LEU  26  54.114 -12.861   3.673
  195    HA   LEU  26           HA       LEU  26  55.471 -14.784   5.358
  196    HB2  LEU  26           HB3      LEU  26  53.426 -12.650   5.734
  197    HB3  LEU  26           HB2      LEU  26  53.477 -13.948   6.903
  198    HG   LEU  26           HG       LEU  26  55.533 -11.842   6.351
  199   HD11  LEU  26          HD11      LEU  26  53.699 -11.614   8.076
  200   HD12  LEU  26          HD12      LEU  26  55.351 -11.405   8.661
  201   HD13  LEU  26          HD13      LEU  26  54.495 -12.920   8.957
  202   HD21  LEU  26          HD21      LEU  26  56.842 -13.829   6.289
  203   HD22  LEU  26          HD22      LEU  26  55.980 -14.512   7.666
  204   HD23  LEU  26          HD23      LEU  26  57.038 -13.118   7.892
  205    H    LYS  27           H        LYS  27  52.471 -14.459   3.569
  206    HA   LYS  27           HA       LYS  27  50.875 -16.365   4.753
  207    HB2  LYS  27           HB3      LYS  27  51.102 -15.187   2.083
  208    HB3  LYS  27           HB2      LYS  27  50.425 -16.809   2.065
  209    HG2  LYS  27           HG3      LYS  27  48.986 -15.757   4.062
  210    HG3  LYS  27           HG2      LYS  27  49.305 -14.296   3.126
  211    HD2  LYS  27           HD3      LYS  27  47.985 -14.949   1.416
  212    HD3  LYS  27           HD2      LYS  27  48.475 -16.640   1.552
  213    HE2  LYS  27           HE2      LYS  27  46.683 -15.351   3.586
  214    HE3  LYS  27           HE3      LYS  27  46.040 -16.038   2.096
  215    HZ1  LYS  27           HZ1      LYS  27  47.280 -18.131   2.769
  216    HZ2  LYS  27           HZ2      LYS  27  45.901 -17.741   3.667
  217    HZ3  LYS  27           HZ3      LYS  27  47.437 -17.427   4.301
  218    H    GLU  28           H        GLU  28  53.744 -16.820   2.849
  219    HA   GLU  28           HA       GLU  28  53.322 -19.713   2.741
  220    HB2  GLU  28           HB3      GLU  28  55.722 -18.307   1.616
  221    HB3  GLU  28           HB2      GLU  28  54.978 -19.810   1.094
  222    HG2  GLU  28           HG3      GLU  28  52.971 -18.003   0.680
  223    HG3  GLU  28           HG2      GLU  28  54.412 -17.059   0.308
  224    H    GLY  29           H        GLY  29  55.168 -17.281   4.408
  225    HA2  GLY  29           HA3      GLY  29  55.982 -18.045   6.624
  226    HA3  GLY  29           HA2      GLY  29  56.691 -19.418   5.764
  227    H    GLY  30           H        GLY  30  56.676 -16.307   4.288
  228    HA2  GLY  30           HA3      GLY  30  58.636 -15.403   3.286
  229    HA3  GLY  30           HA2      GLY  30  58.524 -14.684   4.874
  230    HA   PRO  31           HA       PRO  31  62.509 -16.193   5.801
  231    HB2  PRO  31           HB3      PRO  31  62.358 -16.500   8.475
  232    HB3  PRO  31           HB2      PRO  31  62.292 -14.909   7.707
  233    HG2  PRO  31           HG3      PRO  31  60.054 -16.603   8.745
  234    HG3  PRO  31           HG2      PRO  31  60.295 -14.856   8.897
  235    HD2  PRO  31           HD3      PRO  31  58.637 -16.003   7.071
  236    HD3  PRO  31           HD2      PRO  31  59.403 -14.449   6.838
  237    H    SER  32           H        SER  32  61.348 -18.273   4.623
  238    HA   SER  32           HA       SER  32  62.539 -20.521   5.803
  239    HB2  SER  32           HB3      SER  32  60.127 -19.964   7.030
  240    HB3  SER  32           HB2      SER  32  59.686 -21.176   5.829
  241    HG   SER  32           HG       SER  32  61.373 -21.386   8.043
  242    H    SER  33           H        SER  33  59.854 -19.458   3.745
  243    HA   SER  33           HA       SER  33  59.778 -21.656   2.024
  244    HB2  SER  33           HB3      SER  33  58.610 -19.042   2.141
  245    HB3  SER  33           HB2      SER  33  59.194 -19.328   0.497
  246    HG   SER  33           HG       SER  33  57.632 -20.697   0.224
  247    H    GLY  34           H        GLY  34  61.659 -18.652   1.817
  248    HA2  GLY  34           HA3      GLY  34  63.985 -18.937   1.018
  249    HA3  GLY  34           HA2      GLY  34  63.319 -19.965  -0.250
  250    H    ARG  35           H        ARG  35  63.270 -16.652   1.016
  251    HA   ARG  35           HA       ARG  35  63.687 -15.479  -1.502
  252    HB2  ARG  35           HB3      ARG  35  61.459 -14.376  -1.767
  253    HB3  ARG  35           HB2      ARG  35  61.451 -16.110  -2.061
  254    HG2  ARG  35           HG3      ARG  35  60.874 -15.888   0.631
  255    HG3  ARG  35           HG2      ARG  35  60.009 -14.547  -0.110
  256    HD2  ARG  35           HD3      ARG  35  59.837 -17.212  -1.411
  257    HD3  ARG  35           HD2      ARG  35  58.941 -16.961   0.084
  258    HE   ARG  35           HE       ARG  35  57.607 -15.367  -0.997
  259   HH11  ARG  35          HH11      ARG  35  59.987 -16.737  -3.163
  260   HH12  ARG  35          HH12      ARG  35  59.187 -16.173  -4.589
  261   HH21  ARG  35          HH21      ARG  35  56.564 -14.630  -2.877
  262   HH22  ARG  35          HH22      ARG  35  57.248 -14.979  -4.429
  263    HA   PRO  36           HA       PRO  36  64.594 -12.121   1.215
  264    HB2  PRO  36           HB3      PRO  36  64.829 -10.096  -0.519
  265    HB3  PRO  36           HB2      PRO  36  65.970 -11.447  -0.524
  266    HG2  PRO  36           HG3      PRO  36  63.602 -10.964  -2.291
  267    HG3  PRO  36           HG2      PRO  36  65.235 -11.493  -2.738
  268    HD2  PRO  36           HD3      PRO  36  63.125 -13.203  -2.447
  269    HD3  PRO  36           HD2      PRO  36  64.814 -13.679  -2.163
  270    HA   PRO  37           HA       PRO  37  60.285 -10.868   2.070
  271    HB2  PRO  37           HB3      PRO  37  61.322  -9.225   4.171
  272    HB3  PRO  37           HB2      PRO  37  60.471 -10.767   4.312
  273    HG2  PRO  37           HG3      PRO  37  63.357 -10.197   4.427
  274    HG3  PRO  37           HG2      PRO  37  62.454 -11.574   5.076
  275    HD2  PRO  37           HD3      PRO  37  64.087 -11.764   2.920
  276    HD3  PRO  37           HD2      PRO  37  62.642 -12.775   3.119
  277    HA   PRO  38           HA       PRO  38  60.295  -6.914   0.088
  278    HB2  PRO  38           HB3      PRO  38  57.843  -6.031   0.744
  279    HB3  PRO  38           HB2      PRO  38  58.078  -7.398  -0.351
  280    HG2  PRO  38           HG3      PRO  38  57.401  -7.409   2.565
  281    HG3  PRO  38           HG2      PRO  38  56.712  -8.378   1.251
  282    HD2  PRO  38           HD3      PRO  38  58.620  -9.318   2.952
  283    HD3  PRO  38           HD2      PRO  38  58.444  -9.882   1.279
  284    H    SER  39           H        SER  39  59.202  -4.577   0.791
  285    HA   SER  39           HA       SER  39  60.968  -3.603   2.802
  286    HB2  SER  39           HB3      SER  39  59.319  -1.511   2.425
  287    HB3  SER  39           HB2      SER  39  60.605  -1.927   1.292
  288    HG   SER  39           HG       SER  39  57.865  -2.128   1.015