*HEADER    TRANSCRIPTION REGULATION                13-MAR-98   1TAC      
*TITLE     HIV-1 TAT CYS-, NMR, 10 STRUCTURES                            
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: TAT PROTEIN;                                       
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: TRANSACTIVATING REGULATORY PROTEIN;                 
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 MUTATION: M1L, C22S, C25A, C27A, C30S, C31A, C34S, C37A      
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1;    
*SOURCE   3 ORGANISM_COMMON: HIV-1;                                      
*SOURCE   4 VARIANT: ZAIRE 2;                                            
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PET;                          
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PTK3;                              
*SOURCE   9 EXPRESSION_SYSTEM_GENE: TATCYS-                              
*KEYWDS    TRANSCRIPTION REGULATION, HIV-1, TRANSACTIVATION, RNA         
*KEYWDS   2 BINDING, NMR STRUCTURE                                       
*EXPDTA    NMR, 10 STRUCTURES                                            
*AUTHOR    P.ROESCH,M.BOEHM,H.STICHT                                     
*REVDAT   1   12-OCT-04 1TAC    0   


!intraresidual NOEs 

assign (resid 1 and name HA) (resid 1 and name HB1)  2.0 0.2 2.2
assign (resid 1 and name HA) (resid 1 and name HB2)  2.0 0.2 2.2
assign (resid 1 and name HA) (resid 1 and name HD*)  2.0 0.2 2.2
assign (resid 1 and name HA) (resid 1 and name HG)  2.0 0.2 2.2
assign (resid 1 and name HB1) (resid 1 and name HB2)  2.0 0.2 0.9
assign (resid 1 and name HB1) (resid 1 and name HD*)  2.0 0.2 3.7
assign (resid 1 and name HG) (resid 1 and name HD*)  2.0 0.2 0.9
assign (resid 10 and name HA) (resid 10 and name HB1)  2.0 0.2 0.9
assign (resid 10 and name HA) (resid 10 and name HB2)  2.0 0.2 0.9
assign (resid 10 and name HA) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 10 and name HB1) (resid 10 and name HG*)  2.0 0.2 0.9
assign (resid 10 and name HD1) (resid 10 and name HB2)  2.0 0.2 2.2
assign (resid 10 and name HD1) (resid 10 and name HD2)  2.0 0.2 2.2
assign (resid 10 and name HD2) (resid 10 and name HA)  2.0 0.2 2.2
assign (resid 10 and name HD2) (resid 10 and name HB2)  2.0 0.2 2.2
assign (resid 10 and name HG*) (resid 10 and name HB2)  2.0 0.2 3.7
assign (resid 11 and name HA) (resid 11 and name HB*)  2.0 0.2 0.9
assign (resid 11 and name HD1) (resid 11 and name HA)  2.0 0.2 3.7
assign (resid 11 and name HD1) (resid 11 and name HB*)  2.0 0.2 2.2
assign (resid 11 and name HE1) (resid 11 and name HB*)  2.0 0.2 3.7
assign (resid 11 and name HE1) (resid 11 and name HD1)  2.0 0.2 0.9
assign (resid 11 and name HE1) (resid 11 and name HZ2)  2.0 0.2 2.2
assign (resid 11 and name HE3) (resid 11 and name HA)  2.0 0.2 3.7
assign (resid 11 and name HE3) (resid 11 and name HB*)  2.0 0.2 2.2
assign (resid 11 and name HE3) (resid 11 and name HD1)  2.0 0.2 3.7
assign (resid 11 and name HE3) (resid 11 and name HH2)  2.0 0.2 2.2
assign (resid 11 and name HN) (resid 11 and name HA)  2.0 0.2 2.2
assign (resid 11 and name HN) (resid 11 and name HB*)  2.0 0.2 2.2
assign (resid 11 and name HN) (resid 11 and name HD1)  2.0 0.2 3.7
assign (resid 11 and name HZ2) (resid 11 and name HD1)  2.0 0.2 3.7
assign (resid 11 and name HZ2) (resid 11 and name HZ3)  2.0 0.2 2.2
assign (resid 11 and name HZ3) (resid 11 and name HH2)  2.0 0.2 2.2
assign (resid 12 and name HA) (resid 12 and name HB1)  2.0 0.2 2.2
assign (resid 12 and name HA) (resid 12 and name HB2)  2.0 0.2 2.2
assign (resid 12 and name HB1) (resid 12 and name HB2)  2.0 0.2 0.9
assign (resid 12 and name HD21) (resid 12 and name HA)  2.0 0.2 3.7
assign (resid 12 and name HD21) (resid 12 and name HB1)  2.0 0.2 2.2
assign (resid 12 and name HD21) (resid 12 and name HB2)  2.0 0.2 2.2
assign (resid 12 and name HD21) (resid 12 and name HD22)  2.0 0.2 0.9
assign (resid 12 and name HD22) (resid 12 and name HA)  2.0 0.2 3.7
assign (resid 12 and name HD22) (resid 12 and name HB1)  2.0 0.2 2.2
assign (resid 12 and name HD22) (resid 12 and name HB2)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 12 and name HA)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 12 and name HB1)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 12 and name HB2)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 12 and name HD21)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 12 and name HD22)  2.0 0.2 3.7
assign (resid 13 and name HA) (resid 13 and name HB1)  2.0 0.2 2.2
assign (resid 13 and name HA) (resid 13 and name HB2)  2.0 0.2 2.2
assign (resid 13 and name HD2) (resid 13 and name HB1)  2.0 0.2 3.7
assign (resid 13 and name HD2) (resid 13 and name HB2)  2.0 0.2 2.2
assign (resid 13 and name HE1) (resid 13 and name HB1)  2.0 0.2 3.7
assign (resid 13 and name HE1) (resid 13 and name HD2)  2.0 0.2 3.7
assign (resid 13 and name HN) (resid 13 and name HB1)  2.0 0.2 2.2
assign (resid 13 and name HN) (resid 13 and name HB2)  2.0 0.2 2.2
assign (resid 13 and name HN) (resid 13 and name HD2)  2.0 0.2 3.7
assign (resid 14 and name HA) (resid 14 and name HB2)  2.0 0.2 0.9
assign (resid 14 and name HA) (resid 14 and name HD*)  2.0 0.2 2.2
assign (resid 14 and name HA) (resid 14 and name HG*)  2.0 0.2 2.2
assign (resid 14 and name HB1) (resid 14 and name HB2)  2.0 0.2 0.9
assign (resid 14 and name HB1) (resid 14 and name HG*)  2.0 0.2 0.9
assign (resid 14 and name HD*) (resid 14 and name HB2)  2.0 0.2 2.2
assign (resid 14 and name HD*) (resid 14 and name HG*)  2.0 0.2 2.2
assign (resid 15 and name HA1) (resid 15 and name HA2)  2.0 0.2 0.9
assign (resid 15 and name HN) (resid 15 and name HA1)  2.0 0.2 0.9
assign (resid 15 and name HN) (resid 15 and name HA2)  2.0 0.2 2.2
assign (resid 16 and name HA) (resid 16 and name HB1)  2.0 0.2 0.9
assign (resid 16 and name HA) (resid 16 and name HB2)  2.0 0.2 3.7
assign (resid 16 and name HB1) (resid 16 and name HB2)  2.0 0.2 0.9
assign (resid 16 and name HN) (resid 16 and name HA)  2.0 0.2 2.2
assign (resid 16 and name HN) (resid 16 and name HB1)  2.0 0.2 2.2
assign (resid 17 and name HA) (resid 17 and name HB1)  2.0 0.2 2.2
assign (resid 17 and name HA) (resid 17 and name HB2)  2.0 0.2 2.2
assign (resid 17 and name HA) (resid 17 and name HG*)  2.0 0.2 2.2
assign (resid 17 and name HB1) (resid 17 and name HB2)  2.0 0.2 0.9
assign (resid 17 and name HB1) (resid 17 and name HB2)  2.0 0.2 0.9
assign (resid 17 and name HE21) (resid 17 and name HA)  2.0 0.2 3.7
assign (resid 17 and name HE21) (resid 17 and name HB1)  2.0 0.2 3.7
assign (resid 17 and name HE21) (resid 17 and name HB2)  2.0 0.2 3.7
assign (resid 17 and name HE21) (resid 17 and name HE22)  2.0 0.2 0.9
assign (resid 17 and name HE21) (resid 17 and name HG*)  2.0 0.2 0.9
assign (resid 17 and name HE22) (resid 17 and name HA)  2.0 0.2 3.7
assign (resid 17 and name HE22) (resid 17 and name HB1)  2.0 0.2 3.7
assign (resid 17 and name HE22) (resid 17 and name HG*)  2.0 0.2 2.2
assign (resid 17 and name HG*) (resid 17 and name HB1)  2.0 0.2 2.2
assign (resid 17 and name HG*) (resid 17 and name HB1)  2.0 0.2 2.2
assign (resid 17 and name HG*) (resid 17 and name HB2)  2.0 0.2 2.2
assign (resid 17 and name HG*) (resid 17 and name HB2)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 17 and name HA)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 17 and name HB1)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 17 and name HB2)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 17 and name HG*)  2.0 0.2 2.2
assign (resid 18 and name HA) (resid 18 and name HB1)  2.0 0.2 2.2
assign (resid 18 and name HA) (resid 18 and name HG*)  2.0 0.2 2.2
assign (resid 18 and name HB1) (resid 18 and name HB2)  2.0 0.2 0.9
assign (resid 18 and name HD1) (resid 18 and name HB1)  2.0 0.2 2.2
assign (resid 18 and name HD1) (resid 18 and name HB2)  2.0 0.2 2.2
assign (resid 18 and name HD1) (resid 18 and name HD2)  2.0 0.2 0.9
assign (resid 18 and name HD1) (resid 18 and name HG*)  2.0 0.2 2.2
assign (resid 18 and name HD2) (resid 18 and name HB1)  2.0 0.2 3.7
assign (resid 18 and name HD2) (resid 18 and name HB2)  2.0 0.2 2.2
assign (resid 18 and name HD2) (resid 18 and name HG*)  2.0 0.2 2.2
assign (resid 18 and name HG*) (resid 18 and name HB2)  2.0 0.2 3.7
assign (resid 19 and name HA) (resid 19 and name HB1)  2.0 0.2 0.9
assign (resid 19 and name HA) (resid 19 and name HB2)  2.0 0.2 0.9
assign (resid 19 and name HA) (resid 19 and name HD*)  2.0 0.2 3.7
assign (resid 19 and name HA) (resid 19 and name HE*)  2.0 0.2 3.7
assign (resid 19 and name HA) (resid 19 and name HG1)  2.0 0.2 3.7
assign (resid 19 and name HA) (resid 19 and name HG2)  2.0 0.2 2.2
assign (resid 19 and name HB2) (resid 19 and name HG1)  2.0 0.2 2.2
assign (resid 19 and name HB2) (resid 19 and name HG2)  2.0 0.2 2.2
assign (resid 19 and name HD*) (resid 19 and name HG1)  2.0 0.2 2.2
assign (resid 19 and name HD*) (resid 19 and name HG2)  2.0 0.2 0.9
assign (resid 19 and name HE*) (resid 19 and name HB1)  2.0 0.2 3.7
assign (resid 19 and name HE*) (resid 19 and name HD*)  2.0 0.2 2.2
assign (resid 19 and name HG1) (resid 19 and name HG2)  2.0 0.2 0.9
assign (resid 19 and name HN) (resid 19 and name HA)  2.0 0.2 2.2
assign (resid 19 and name HN) (resid 19 and name HB1)  2.0 0.2 2.2
assign (resid 19 and name HN) (resid 19 and name HB2)  2.0 0.2 2.2
assign (resid 19 and name HN) (resid 19 and name HD*)  2.0 0.2 3.7
assign (resid 19 and name HN) (resid 19 and name HG2)  2.0 0.2 3.7
assign (resid 19 and name HN) (resid 19 and name HZ*)  2.0 0.2 3.7
assign (resid 2 and name HA) (resid 2 and name HB1)  2.0 0.2 0.9
assign (resid 2 and name HA) (resid 2 and name HB2)  2.0 0.2 0.9
assign (resid 2 and name HB1) (resid 2 and name HB2)  2.0 0.2 0.9
assign (resid 2 and name HN) (resid 2 and name HA)  2.0 0.2 2.2
assign (resid 2 and name HN) (resid 2 and name HB1)  2.0 0.2 2.2
assign (resid 2 and name HN) (resid 2 and name HB2)  2.0 0.2 2.2
assign (resid 20 and name HA) (resid 20 and name HB)  2.0 0.2 2.2
assign (resid 20 and name HA) (resid 20 and name HG2*)  2.0 0.2 2.2
assign (resid 20 and name HB) (resid 20 and name HG2*)  2.0 0.2 2.2
assign (resid 20 and name HN) (resid 20 and name HA)  2.0 0.2 2.2
assign (resid 20 and name HN) (resid 20 and name HB)  2.0 0.2 2.2
assign (resid 20 and name HN) (resid 20 and name HG2*)  2.0 0.2 2.2
assign (resid 21 and name HA) (resid 21 and name HB*)  2.0 0.2 0.9
assign (resid 21 and name HN) (resid 21 and name HA)  2.0 0.2 0.9
assign (resid 21 and name HN) (resid 21 and name HB*)  2.0 0.2 2.2
assign (resid 22 and name HA) (resid 22 and name HB1)  2.0 0.2 2.2
assign (resid 22 and name HA) (resid 22 and name HB2)  2.0 0.2 0.9
assign (resid 22 and name HB1) (resid 22 and name HB2)  2.0 0.2 0.9
assign (resid 22 and name HN) (resid 22 and name HA)  2.0 0.2 2.2
assign (resid 22 and name HN) (resid 22 and name HB1)  2.0 0.2 2.2
assign (resid 22 and name HN) (resid 22 and name HB2)  2.0 0.2 2.2
assign (resid 23 and name HA) (resid 23 and name HB*)  2.0 0.2 2.2
assign (resid 23 and name HD21) (resid 23 and name HA)  2.0 0.2 3.7
assign (resid 23 and name HD21) (resid 23 and name HB*)  2.0 0.2 2.2
assign (resid 23 and name HD21) (resid 23 and name HD22)  2.0 0.2 0.9
assign (resid 23 and name HD22) (resid 23 and name HA)  2.0 0.2 3.7
assign (resid 23 and name HD22) (resid 23 and name HB*)  2.0 0.2 2.2
assign (resid 23 and name HN) (resid 23 and name HA)  2.0 0.2 2.2
assign (resid 23 and name HN) (resid 23 and name HB*)  2.0 0.2 2.2
assign (resid 24 and name HA) (resid 24 and name HB1)  2.0 0.2 2.2
assign (resid 24 and name HA) (resid 24 and name HB2)  2.0 0.2 2.2
assign (resid 24 and name HA) (resid 24 and name HD*)  2.0 0.2 2.2
assign (resid 24 and name HA) (resid 24 and name HG*)  2.0 0.2 2.2
assign (resid 24 and name HB1) (resid 24 and name HB2)  2.0 0.2 0.9
assign (resid 24 and name HB1) (resid 24 and name HG*)  2.0 0.2 2.2
assign (resid 24 and name HB2) (resid 24 and name HG*)  2.0 0.2 2.2
assign (resid 24 and name HD*) (resid 24 and name HB1)  2.0 0.2 2.2
assign (resid 24 and name HD*) (resid 24 and name HB2)  2.0 0.2 2.2
assign (resid 24 and name HD*) (resid 24 and name HG*)  2.0 0.2 0.9
assign (resid 24 and name HE) (resid 24 and name HA)  2.0 0.2 3.7
assign (resid 24 and name HE) (resid 24 and name HB1)  2.0 0.2 2.2
assign (resid 24 and name HE) (resid 24 and name HD*)  2.0 0.2 0.9
assign (resid 24 and name HE) (resid 24 and name HG*)  2.0 0.2 2.2
assign (resid 24 and name HN) (resid 24 and name HA)  2.0 0.2 2.2
assign (resid 24 and name HN) (resid 24 and name HB1)  2.0 0.2 2.2
assign (resid 24 and name HN) (resid 24 and name HB2)  2.0 0.2 3.7
assign (resid 24 and name HN) (resid 24 and name HD*)  2.0 0.2 2.2
assign (resid 24 and name HN) (resid 24 and name HG*)  2.0 0.2 3.7
assign (resid 25 and name HA) (resid 25 and name HB*)  2.0 0.2 2.2
assign (resid 25 and name HN) (resid 25 and name HA)  2.0 0.2 2.2
assign (resid 25 and name HN) (resid 25 and name HB*)  2.0 0.2 2.2
assign (resid 26 and name HA) (resid 26 and name HB1)  2.0 0.2 2.2
assign (resid 26 and name HA) (resid 26 and name HB2)  2.0 0.2 2.2
assign (resid 26 and name HB1) (resid 26 and name HB2)  2.0 0.2 0.9
assign (resid 26 and name HD2) (resid 26 and name HA)  2.0 0.2 3.7
assign (resid 26 and name HD2) (resid 26 and name HB1)  2.0 0.2 2.2
assign (resid 26 and name HD2) (resid 26 and name HB2)  2.0 0.2 2.2
assign (resid 26 and name HN) (resid 26 and name HA)  2.0 0.2 2.2
assign (resid 26 and name HN) (resid 26 and name HB1)  2.0 0.2 2.2
assign (resid 26 and name HN) (resid 26 and name HB2)  2.0 0.2 2.2
assign (resid 26 and name HN) (resid 26 and name HD2)  2.0 0.2 3.7
assign (resid 27 and name HA) (resid 27 and name HB*)  2.0 0.2 0.9
assign (resid 27 and name HN) (resid 27 and name HA)  2.0 0.2 2.2
assign (resid 27 and name HN) (resid 27 and name HB*)  2.0 0.2 2.2
assign (resid 28 and name HA) (resid 28 and name HB1)  2.0 0.2 0.9
assign (resid 28 and name HA) (resid 28 and name HB2)  2.0 0.2 0.9
assign (resid 28 and name HA) (resid 28 and name HE*)  2.0 0.2 3.7
assign (resid 28 and name HA) (resid 28 and name HG*)  2.0 0.2 2.2
assign (resid 28 and name HB1) (resid 28 and name HB2)  2.0 0.2 0.9
assign (resid 28 and name HB1) (resid 28 and name HG*)  2.0 0.2 2.2
assign (resid 28 and name HB2) (resid 28 and name HG*)  2.0 0.2 2.2
assign (resid 28 and name HD*) (resid 28 and name HG*)  2.0 0.2 2.2
assign (resid 28 and name HE*) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 28 and name HE*) (resid 28 and name HB2)  2.0 0.2 3.7
assign (resid 28 and name HE*) (resid 28 and name HD*)  2.0 0.2 0.9
assign (resid 28 and name HE*) (resid 28 and name HG*)  2.0 0.2 2.2
assign (resid 28 and name HN) (resid 28 and name HA)  2.0 0.2 0.9
assign (resid 28 and name HN) (resid 28 and name HB1)  2.0 0.2 2.2
assign (resid 28 and name HN) (resid 28 and name HB2)  2.0 0.2 2.2
assign (resid 28 and name HN) (resid 28 and name HG*)  2.0 0.2 3.7
assign (resid 28 and name HZ*) (resid 28 and name HA)  2.0 0.2 3.7
assign (resid 28 and name HZ*) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 28 and name HZ*) (resid 28 and name HE*)  2.0 0.2 2.2
assign (resid 29 and name HA) (resid 29 and name HB*)  2.0 0.2 2.2
assign (resid 29 and name HA) (resid 29 and name HD*)  2.0 0.2 2.2
assign (resid 29 and name HA) (resid 29 and name HE*)  2.0 0.2 3.7
assign (resid 29 and name HA) (resid 29 and name HG*)  2.0 0.2 3.7
assign (resid 29 and name HB*) (resid 29 and name HG*)  2.0 0.2 2.2
assign (resid 29 and name HD*) (resid 29 and name HG*)  2.0 0.2 0.9
assign (resid 29 and name HE*) (resid 29 and name HB*)  2.0 0.2 3.7
assign (resid 29 and name HE*) (resid 29 and name HD*)  2.0 0.2 0.9
assign (resid 29 and name HE*) (resid 29 and name HG*)  2.0 0.2 2.2
assign (resid 29 and name HN) (resid 29 and name HA)  2.0 0.2 0.9
assign (resid 29 and name HN) (resid 29 and name HB*)  2.0 0.2 2.2
assign (resid 29 and name HN) (resid 29 and name HD*)  2.0 0.2 3.7
assign (resid 29 and name HN) (resid 29 and name HE*)  2.0 0.2 3.7
assign (resid 29 and name HN) (resid 29 and name HG*)  2.0 0.2 3.7
assign (resid 3 and name HA) (resid 3 and name HB*)  2.0 0.2 0.9
assign (resid 3 and name HA) (resid 3 and name HD1)  2.0 0.2 3.7
assign (resid 3 and name HA) (resid 3 and name HG*)  2.0 0.2 2.2
assign (resid 3 and name HB*) (resid 3 and name HG*)  2.0 0.2 2.2
assign (resid 3 and name HD1) (resid 3 and name HB*)  2.0 0.2 2.2
assign (resid 3 and name HD1) (resid 3 and name HD2)  2.0 0.2 0.9
assign (resid 3 and name HD1) (resid 3 and name HG*)  2.0 0.2 0.9
assign (resid 3 and name HD2) (resid 3 and name HB*)  2.0 0.2 2.2
assign (resid 3 and name HD2) (resid 3 and name HG*)  2.0 0.2 0.9
assign (resid 30 and name HA) (resid 30 and name HB*)  2.0 0.2 0.9
assign (resid 30 and name HN) (resid 30 and name HA)  2.0 0.2 2.2
assign (resid 30 and name HN) (resid 30 and name HB*)  2.0 0.2 2.2
assign (resid 31 and name HA) (resid 31 and name HB*)  2.0 0.2 2.2
assign (resid 31 and name HN) (resid 31 and name HA)  2.0 0.2 2.2
assign (resid 31 and name HN) (resid 31 and name HB*)  2.0 0.2 2.2
assign (resid 32 and name HA) (resid 32 and name HB1)  2.0 0.2 2.2
assign (resid 32 and name HA) (resid 32 and name HB2)  2.0 0.2 2.2
assign (resid 32 and name HB1) (resid 32 and name HB2)  2.0 0.2 0.9
assign (resid 32 and name HD*) (resid 32 and name HA)  2.0 0.2 2.2
assign (resid 32 and name HD*) (resid 32 and name HB1)  2.0 0.2 2.2
assign (resid 32 and name HD*) (resid 32 and name HB2)  2.0 0.2 2.2
assign (resid 32 and name HD*) (resid 32 and name HE*)  2.0 0.2 0.9
assign (resid 32 and name HE*) (resid 32 and name HB1)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 32 and name HB2)  2.0 0.2 3.7
assign (resid 32 and name HN) (resid 32 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HN) (resid 32 and name HB1)  2.0 0.2 3.7
assign (resid 32 and name HN) (resid 32 and name HB2)  2.0 0.2 3.7
assign (resid 32 and name HN) (resid 32 and name HD*)  2.0 0.2 3.7
assign (resid 33 and name HA) (resid 33 and name HB1)  2.0 0.2 2.2
assign (resid 33 and name HA) (resid 33 and name HB2)  2.0 0.2 2.2
assign (resid 33 and name HB1) (resid 33 and name HB2)  2.0 0.2 0.9
assign (resid 33 and name HD2) (resid 33 and name HA)  2.0 0.2 2.2
assign (resid 33 and name HD2) (resid 33 and name HB1)  2.0 0.2 2.2
assign (resid 33 and name HD2) (resid 33 and name HB2)  2.0 0.2 2.2
assign (resid 33 and name HE1) (resid 33 and name HD2)  2.0 0.2 3.7
assign (resid 33 and name HN) (resid 33 and name HA)  2.0 0.2 2.2
assign (resid 33 and name HN) (resid 33 and name HB1)  2.0 0.2 2.2
assign (resid 33 and name HN) (resid 33 and name HB2)  2.0 0.2 2.2
assign (resid 33 and name HN) (resid 33 and name HD2)  2.0 0.2 3.7
assign (resid 34 and name HA) (resid 34 and name HB1)  2.0 0.2 0.9
assign (resid 34 and name HA) (resid 34 and name HB2)  2.0 0.2 0.9
assign (resid 34 and name HN) (resid 34 and name HA)  2.0 0.2 0.9
assign (resid 34 and name HN) (resid 34 and name HB1)  2.0 0.2 2.2
assign (resid 34 and name HN) (resid 34 and name HB2)  2.0 0.2 2.2
assign (resid 35 and name HA) (resid 35 and name HB1)  2.0 0.2 2.2
assign (resid 35 and name HA) (resid 35 and name HB2)  2.0 0.2 2.2
assign (resid 35 and name HA) (resid 35 and name HG*)  2.0 0.2 2.2
assign (resid 35 and name HB1) (resid 35 and name HB2)  2.0 0.2 0.9
assign (resid 35 and name HE21) (resid 35 and name HA)  2.0 0.2 3.7
assign (resid 35 and name HE21) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 35 and name HE21) (resid 35 and name HE22)  2.0 0.2 0.9
assign (resid 35 and name HE21) (resid 35 and name HG*)  2.0 0.2 0.9
assign (resid 35 and name HE22) (resid 35 and name HA)  2.0 0.2 3.7
assign (resid 35 and name HE22) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 35 and name HE22) (resid 35 and name HG*)  2.0 0.2 2.2
assign (resid 35 and name HG*) (resid 35 and name HB1)  2.0 0.2 2.2
assign (resid 35 and name HG*) (resid 35 and name HB2)  2.0 0.2 2.2
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assign (resid 66 and name HE22) (resid 66 and name HG*)  2.0 0.2 2.2
assign (resid 66 and name HG*) (resid 66 and name HB1)  2.0 0.2 0.9
assign (resid 66 and name HG*) (resid 66 and name HB2)  2.0 0.2 0.9
assign (resid 66 and name HN) (resid 66 and name HA)  2.0 0.2 0.9
assign (resid 66 and name HN) (resid 66 and name HB1)  2.0 0.2 3.7
assign (resid 66 and name HN) (resid 66 and name HB2)  2.0 0.2 2.2
assign (resid 66 and name HN) (resid 66 and name HG*)  2.0 0.2 2.2
assign (resid 67 and name HA) (resid 67 and name HB1)  2.0 0.2 2.2
assign (resid 67 and name HA) (resid 67 and name HB2)  2.0 0.2 2.2
assign (resid 67 and name HB1) (resid 67 and name HB2)  2.0 0.2 0.9
assign (resid 67 and name HN) (resid 67 and name HA)  2.0 0.2 3.7
assign (resid 67 and name HN) (resid 67 and name HB1)  2.0 0.2 2.2
assign (resid 67 and name HN) (resid 67 and name HB2)  2.0 0.2 2.2
assign (resid 68 and name HA) (resid 68 and name HB*)  2.0 0.2 2.2
assign (resid 68 and name HA) (resid 68 and name HG*)  2.0 0.2 2.2
assign (resid 68 and name HD1) (resid 68 and name HB*)  2.0 0.2 2.2
assign (resid 68 and name HD1) (resid 68 and name HD2)  2.0 0.2 0.9
assign (resid 68 and name HD1) (resid 68 and name HG*)  2.0 0.2 0.9
assign (resid 68 and name HD2) (resid 68 and name HB*)  2.0 0.2 2.2
assign (resid 68 and name HD2) (resid 68 and name HG*)  2.0 0.2 0.9
assign (resid 69 and name HA) (resid 69 and name HB)  2.0 0.2 2.2
assign (resid 69 and name HA) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 69 and name HA) (resid 69 and name HG11)  2.0 0.2 3.7
assign (resid 69 and name HA) (resid 69 and name HG12)  2.0 0.2 2.2
assign (resid 69 and name HA) (resid 69 and name HG2*)  2.0 0.2 2.2
assign (resid 69 and name HB) (resid 69 and name HD*)  2.0 0.2 2.2
assign (resid 69 and name HB) (resid 69 and name HG12)  2.0 0.2 2.2
assign (resid 69 and name HB) (resid 69 and name HG2*)  2.0 0.2 2.2
assign (resid 69 and name HG11) (resid 69 and name HD*)  2.0 0.2 2.2
assign (resid 69 and name HG11) (resid 69 and name HG12)  2.0 0.2 2.2
assign (resid 69 and name HG11) (resid 69 and name HG2*)  2.0 0.2 2.2
assign (resid 69 and name HG12) (resid 69 and name HD*)  2.0 0.2 2.2
assign (resid 69 and name HN) (resid 69 and name HB)  2.0 0.2 2.2
assign (resid 69 and name HN) (resid 69 and name HD*)  2.0 0.2 2.2
assign (resid 69 and name HN) (resid 69 and name HG11)  2.0 0.2 3.7
assign (resid 69 and name HN) (resid 69 and name HG12)  2.0 0.2 2.2
assign (resid 69 and name HN) (resid 69 and name HG2*)  2.0 0.2 3.7
assign (resid 7 and name HA) (resid 7 and name HB1)  2.0 0.2 2.2
assign (resid 7 and name HA) (resid 7 and name HB2)  2.0 0.2 2.2
assign (resid 7 and name HB1) (resid 7 and name HB2)  2.0 0.2 0.9
assign (resid 7 and name HD21) (resid 7 and name HA)  2.0 0.2 2.2
assign (resid 7 and name HD21) (resid 7 and name HB1)  2.0 0.2 2.2
assign (resid 7 and name HD21) (resid 7 and name HB2)  2.0 0.2 2.2
assign (resid 7 and name HD21) (resid 7 and name HD22)  2.0 0.2 0.9
assign (resid 7 and name HD22) (resid 7 and name HA)  2.0 0.2 3.7
assign (resid 7 and name HD22) (resid 7 and name HB1)  2.0 0.2 2.2
assign (resid 7 and name HD22) (resid 7 and name HB2)  2.0 0.2 2.2
assign (resid 7 and name HN) (resid 7 and name HA)  2.0 0.2 2.2
assign (resid 7 and name HN) (resid 7 and name HB1)  2.0 0.2 2.2
assign (resid 7 and name HN) (resid 7 and name HB2)  2.0 0.2 2.2
assign (resid 7 and name HN) (resid 7 and name HD21)  2.0 0.2 3.7
assign (resid 7 and name HN) (resid 7 and name HD22)  2.0 0.2 3.7
assign (resid 70 and name HA) (resid 70 and name HB1)  2.0 0.2 0.9
assign (resid 70 and name HA) (resid 70 and name HD2)  2.0 0.2 2.2
assign (resid 70 and name HA) (resid 70 and name HG*)  2.0 0.2 2.2
assign (resid 70 and name HB1) (resid 70 and name HB2)  2.0 0.2 0.9
assign (resid 70 and name HB1) (resid 70 and name HG*)  2.0 0.2 0.9
assign (resid 70 and name HD1) (resid 70 and name HB1)  2.0 0.2 2.2
assign (resid 70 and name HD1) (resid 70 and name HB2)  2.0 0.2 2.2
assign (resid 70 and name HD1) (resid 70 and name HD2)  2.0 0.2 0.9
assign (resid 70 and name HD1) (resid 70 and name HD2)  2.0 0.2 2.2
assign (resid 70 and name HD2) (resid 70 and name HB1)  2.0 0.2 2.2
assign (resid 70 and name HD2) (resid 70 and name HB2)  2.0 0.2 2.2
assign (resid 71 and name HA) (resid 71 and name HB1)  2.0 0.2 0.9
assign (resid 71 and name HA) (resid 71 and name HB2)  2.0 0.2 0.9
assign (resid 71 and name HA) (resid 71 and name HD*)  2.0 0.2 3.7
assign (resid 71 and name HA) (resid 71 and name HE*)  2.0 0.2 3.7
assign (resid 71 and name HA) (resid 71 and name HG*)  2.0 0.2 2.2
assign (resid 71 and name HB1) (resid 71 and name HB2)  2.0 0.2 0.9
assign (resid 71 and name HB1) (resid 71 and name HD*)  2.0 0.2 2.2
assign (resid 71 and name HB1) (resid 71 and name HG*)  2.0 0.2 2.2
assign (resid 71 and name HB2) (resid 71 and name HD*)  2.0 0.2 2.2
assign (resid 71 and name HB2) (resid 71 and name HG*)  2.0 0.2 0.9
assign (resid 71 and name HE*) (resid 71 and name HB1)  2.0 0.2 3.7
assign (resid 71 and name HE*) (resid 71 and name HB2)  2.0 0.2 3.7
assign (resid 71 and name HE*) (resid 71 and name HD*)  2.0 0.2 2.2
assign (resid 71 and name HN) (resid 71 and name HA)  2.0 0.2 0.9
assign (resid 71 and name HN) (resid 71 and name HB1)  2.0 0.2 2.2
assign (resid 71 and name HN) (resid 71 and name HB2)  2.0 0.2 2.2
assign (resid 71 and name HN) (resid 71 and name HD*)  2.0 0.2 3.7
assign (resid 71 and name HN) (resid 71 and name HE*)  2.0 0.2 3.7
assign (resid 71 and name HN) (resid 71 and name HG*)  2.0 0.2 2.2
assign (resid 72 and name HA) (resid 72 and name HB1)  2.0 0.2 2.2
assign (resid 72 and name HA) (resid 72 and name HB2)  2.0 0.2 2.2
assign (resid 72 and name HA) (resid 72 and name HG*)  2.0 0.2 2.2
assign (resid 72 and name HB1) (resid 72 and name HB2)  2.0 0.2 0.9
assign (resid 72 and name HE21) (resid 72 and name HA)  2.0 0.2 2.2
assign (resid 72 and name HE21) (resid 72 and name HB1)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 72 and name HB2)  2.0 0.2 2.2
assign (resid 72 and name HE21) (resid 72 and name HG*)  2.0 0.2 0.9
assign (resid 72 and name HE22) (resid 72 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 72 and name HB2)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 72 and name HG*)  2.0 0.2 2.2
assign (resid 72 and name HG*) (resid 72 and name HB1)  2.0 0.2 0.9
assign (resid 72 and name HG*) (resid 72 and name HB2)  2.0 0.2 2.2
assign (resid 72 and name HN) (resid 72 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HN) (resid 72 and name HB1)  2.0 0.2 2.2
assign (resid 72 and name HN) (resid 72 and name HB2)  2.0 0.2 3.7
assign (resid 72 and name HN) (resid 72 and name HG*)  2.0 0.2 2.2
assign (resid 73 and name HA) (resid 73 and name HB1)  2.0 0.2 0.9
assign (resid 73 and name HA) (resid 73 and name HB2)  2.0 0.2 0.9
assign (resid 73 and name HA) (resid 73 and name HD*)  2.0 0.2 2.2
assign (resid 73 and name HA) (resid 73 and name HG*)  2.0 0.2 2.2
assign (resid 73 and name HB1) (resid 73 and name HB2)  2.0 0.2 2.2
assign (resid 73 and name HB1) (resid 73 and name HG*)  2.0 0.2 0.9
assign (resid 73 and name HD*) (resid 73 and name HB1)  2.0 0.2 2.2
assign (resid 73 and name HD*) (resid 73 and name HB2)  2.0 0.2 2.2
assign (resid 73 and name HD*) (resid 73 and name HG*)  2.0 0.2 2.2
assign (resid 74 and name HA) (resid 74 and name HB1)  2.0 0.2 2.2
assign (resid 74 and name HA) (resid 74 and name HB2)  2.0 0.2 2.2
assign (resid 74 and name HN) (resid 74 and name HA)  2.0 0.2 2.2
assign (resid 74 and name HN) (resid 74 and name HB1)  2.0 0.2 2.2
assign (resid 74 and name HN) (resid 74 and name HB2)  2.0 0.2 2.2
assign (resid 75 and name HA) (resid 75 and name HB*)  2.0 0.2 2.2
assign (resid 75 and name HN) (resid 75 and name HA)  2.0 0.2 2.2
assign (resid 75 and name HN) (resid 75 and name HB*)  2.0 0.2 2.2
assign (resid 76 and name HA) (resid 76 and name HB1)  2.0 0.2 2.2
assign (resid 76 and name HA) (resid 76 and name HB2)  2.0 0.2 2.2
assign (resid 76 and name HA) (resid 76 and name HG*)  2.0 0.2 2.2
assign (resid 76 and name HB1) (resid 76 and name HB2)  2.0 0.2 2.2
assign (resid 76 and name HE21) (resid 76 and name HA)  2.0 0.2 2.2
assign (resid 76 and name HE21) (resid 76 and name HB1)  2.0 0.2 3.7
assign (resid 76 and name HE21) (resid 76 and name HB2)  2.0 0.2 2.2
assign (resid 76 and name HE21) (resid 76 and name HE22)  2.0 0.2 0.9
assign (resid 76 and name HE21) (resid 76 and name HG*)  2.0 0.2 2.2
assign (resid 76 and name HE22) (resid 76 and name HB2)  2.0 0.2 3.7
assign (resid 76 and name HE22) (resid 76 and name HG*)  2.0 0.2 2.2
assign (resid 76 and name HG*) (resid 76 and name HB1)  2.0 0.2 2.2
assign (resid 76 and name HG*) (resid 76 and name HB2)  2.0 0.2 2.2
assign (resid 76 and name HN) (resid 76 and name HA)  2.0 0.2 2.2
assign (resid 76 and name HN) (resid 76 and name HB1)  2.0 0.2 2.2
assign (resid 76 and name HN) (resid 76 and name HB2)  2.0 0.2 2.2
assign (resid 76 and name HN) (resid 76 and name HG*)  2.0 0.2 2.2
assign (resid 77 and name HA) (resid 77 and name HB1)  2.0 0.2 0.9
assign (resid 77 and name HA) (resid 77 and name HB2)  2.0 0.2 2.2
assign (resid 77 and name HA) (resid 77 and name HD1)  2.0 0.2 2.2
assign (resid 77 and name HA) (resid 77 and name HD2)  2.0 0.2 2.2
assign (resid 77 and name HB1) (resid 77 and name HB2)  2.0 0.2 0.9
assign (resid 77 and name HB1) (resid 77 and name HG*)  2.0 0.2 0.9
assign (resid 77 and name HD1) (resid 77 and name HB1)  2.0 0.2 2.2
assign (resid 77 and name HD1) (resid 77 and name HB2)  2.0 0.2 2.2
assign (resid 77 and name HD1) (resid 77 and name HD2)  2.0 0.2 0.9
assign (resid 77 and name HD1) (resid 77 and name HG*)  2.0 0.2 2.2
assign (resid 77 and name HD2) (resid 77 and name HB1)  2.0 0.2 2.2
assign (resid 77 and name HD2) (resid 77 and name HB2)  2.0 0.2 2.2
assign (resid 78 and name HA) (resid 78 and name HB1)  2.0 0.2 2.2
assign (resid 78 and name HA) (resid 78 and name HB2)  2.0 0.2 0.9
assign (resid 78 and name HA) (resid 78 and name HG*)  2.0 0.2 2.2
assign (resid 78 and name HB1) (resid 78 and name HB2)  2.0 0.2 0.9
assign (resid 78 and name HD*) (resid 78 and name HB1)  2.0 0.2 2.2
assign (resid 78 and name HD*) (resid 78 and name HG*)  2.0 0.2 2.2
assign (resid 78 and name HN) (resid 78 and name HA)  2.0 0.2 2.2
assign (resid 78 and name HN) (resid 78 and name HB1)  2.0 0.2 2.2
assign (resid 78 and name HN) (resid 78 and name HB2)  2.0 0.2 2.2
assign (resid 78 and name HN) (resid 78 and name HG*)  2.0 0.2 3.7
assign (resid 79 and name HN) (resid 79 and name HA*)  2.0 0.2 0.9
assign (resid 8 and name HA) (resid 8 and name HB)  2.0 0.2 2.2
assign (resid 8 and name HA) (resid 8 and name HD*)  2.0 0.2 2.2
assign (resid 8 and name HA) (resid 8 and name HG1*)  2.0 0.2 2.2
assign (resid 8 and name HA) (resid 8 and name HG2*)  2.0 0.2 2.2
assign (resid 8 and name HB) (resid 8 and name HD*)  2.0 0.2 2.2
assign (resid 8 and name HB) (resid 8 and name HG1*)  2.0 0.2 2.2
assign (resid 8 and name HB) (resid 8 and name HG2*)  2.0 0.2 2.2
assign (resid 8 and name HG1*) (resid 8 and name HD*)  2.0 0.2 0.9
assign (resid 8 and name HG2*) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 8 and name HN) (resid 8 and name HA)  2.0 0.2 2.2
assign (resid 8 and name HN) (resid 8 and name HB)  2.0 0.2 2.2
assign (resid 8 and name HN) (resid 8 and name HD*)  2.0 0.2 2.2
assign (resid 8 and name HN) (resid 8 and name HG1*)  2.0 0.2 2.2
assign (resid 8 and name HN) (resid 8 and name HG2*)  2.0 0.2 2.2
assign (resid 80 and name HA) (resid 80 and name HB1)  2.0 0.2 2.2
assign (resid 80 and name HA) (resid 80 and name HB2)  2.0 0.2 2.2
assign (resid 80 and name HB1) (resid 80 and name HB2)  2.0 0.2 0.9
assign (resid 80 and name HN) (resid 80 and name HA)  2.0 0.2 2.2
assign (resid 80 and name HN) (resid 80 and name HB1)  2.0 0.2 2.2
assign (resid 80 and name HN) (resid 80 and name HB2)  2.0 0.2 2.2
assign (resid 82 and name HA) (resid 82 and name HG2*)  2.0 0.2 2.2
assign (resid 82 and name HB) (resid 82 and name HG2*)  2.0 0.2 0.9
assign (resid 82 and name HN) (resid 82 and name HA)  2.0 0.2 2.2
assign (resid 82 and name HN) (resid 82 and name HB)  2.0 0.2 2.2
assign (resid 82 and name HN) (resid 82 and name HG2*)  2.0 0.2 2.2
assign (resid 83 and name HA1) (resid 83 and name HA2)  2.0 0.2 0.9
assign (resid 83 and name HN) (resid 83 and name HA1)  2.0 0.2 2.2
assign (resid 83 and name HN) (resid 83 and name HA2)  2.0 0.2 2.2
assign (resid 84 and name HA) (resid 84 and name HB*)  2.0 0.2 0.9
assign (resid 84 and name HA) (resid 84 and name HD1)  2.0 0.2 2.2
assign (resid 84 and name HA) (resid 84 and name HD2)  2.0 0.2 3.7
assign (resid 84 and name HA) (resid 84 and name HG*)  2.0 0.2 2.2
assign (resid 85 and name HA) (resid 85 and name HB1)  2.0 0.2 2.2
assign (resid 85 and name HA) (resid 85 and name HB2)  2.0 0.2 2.2
assign (resid 85 and name HB1) (resid 85 and name HB2)  2.0 0.2 0.9
assign (resid 85 and name HB1) (resid 85 and name HD*)  2.0 0.2 3.7
assign (resid 85 and name HB2) (resid 85 and name HD*)  2.0 0.2 2.2
assign (resid 85 and name HE*) (resid 85 and name HD*)  2.0 0.2 2.2
assign (resid 85 and name HE*) (resid 85 and name HG*)  2.0 0.2 2.2
assign (resid 85 and name HG*) (resid 85 and name HD*)  2.0 0.2 0.9
assign (resid 85 and name HN) (resid 85 and name HA)  2.0 0.2 2.2
assign (resid 85 and name HN) (resid 85 and name HB1)  2.0 0.2 3.7
assign (resid 85 and name HN) (resid 85 and name HB2)  2.0 0.2 3.7
assign (resid 85 and name HN) (resid 85 and name HD*)  2.0 0.2 3.7
assign (resid 85 and name HN) (resid 85 and name HG*)  2.0 0.2 3.7
assign (resid 86 and name HA) (resid 86 and name HG*)  2.0 0.2 3.7
assign (resid 86 and name HB1) (resid 86 and name HB2)  2.0 0.2 0.9
assign (resid 86 and name HN) (resid 86 and name HA)  2.0 0.2 2.2
assign (resid 86 and name HN) (resid 86 and name HB2)  2.0 0.2 2.2
assign (resid 86 and name HN) (resid 86 and name HG*)  2.0 0.2 3.7
assign (resid 9 and name HA) (resid 9 and name HG*)  2.0 0.2 2.2
assign (resid 9 and name HB*) (resid 9 and name HG*)  2.0 0.2 2.2
assign (resid 9 and name HN) (resid 9 and name HA)  2.0 0.2 2.2
assign (resid 9 and name HN) (resid 9 and name HB*)  2.0 0.2 2.2
assign (resid 9 and name HN) (resid 9 and name HG*)  2.0 0.2 2.2


!sequential (|i - j| = 1) NOEs

assign (resid 1 and name HA) (resid 2 and name HB1)  2.0 0.2 3.7
assign (resid 1 and name HA) (resid 2 and name HB2)  2.0 0.2 3.7
assign (resid 10 and name HA) (resid 11 and name HB*)  2.0 0.2 3.7
assign (resid 10 and name HD2) (resid 9 and name HA)  2.0 0.2 2.2
assign (resid 10 and name HD2) (resid 9 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HB*) (resid 10 and name HB2)  2.0 0.2 3.7
assign (resid 11 and name HB*) (resid 12 and name HB1)  2.0 0.2 3.7
assign (resid 11 and name HD1) (resid 10 and name HA)  2.0 0.2 3.7
assign (resid 11 and name HD1) (resid 10 and name HB2)  2.0 0.2 3.7
assign (resid 11 and name HD1) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HN) (resid 10 and name HA)  2.0 0.2 2.2
assign (resid 11 and name HN) (resid 10 and name HB1)  2.0 0.2 3.7
assign (resid 11 and name HN) (resid 10 and name HG*)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 11 and name HA)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 11 and name HB*)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 11 and name HD1)  2.0 0.2 3.7
assign (resid 13 and name HA) (resid 14 and name HB1)  2.0 0.2 3.7
assign (resid 13 and name HA) (resid 14 and name HD*)  2.0 0.2 3.7
assign (resid 13 and name HA) (resid 14 and name HG*)  2.0 0.2 3.7
assign (resid 13 and name HN) (resid 12 and name HA)  2.0 0.2 2.2
assign (resid 13 and name HN) (resid 12 and name HB1)  2.0 0.2 2.2
assign (resid 13 and name HN) (resid 12 and name HB2)  2.0 0.2 3.7
assign (resid 13 and name HN) (resid 12 and name HD21)  2.0 0.2 3.7
assign (resid 13 and name HN) (resid 12 and name HN)  2.0 0.2 3.7
assign (resid 15 and name HA2) (resid 16 and name HB1)  2.0 0.2 3.7
assign (resid 15 and name HN) (resid 14 and name HA)  2.0 0.2 2.2
assign (resid 15 and name HN) (resid 14 and name HB1)  2.0 0.2 2.2
assign (resid 15 and name HN) (resid 14 and name HB2)  2.0 0.2 2.2
assign (resid 15 and name HN) (resid 14 and name HD*)  2.0 0.2 3.7
assign (resid 15 and name HN) (resid 14 and name HG*)  2.0 0.2 3.7
assign (resid 15 and name HN) (resid 16 and name HN)  2.0 0.2 2.2
assign (resid 16 and name HA) (resid 17 and name HB2)  2.0 0.2 3.7
assign (resid 16 and name HB1) (resid 17 and name HB2)  2.0 0.2 3.7
assign (resid 16 and name HB1) (resid 17 and name HG*)  2.0 0.2 3.7
assign (resid 16 and name HB2) (resid 17 and name HB2)  2.0 0.2 3.7
assign (resid 16 and name HB2) (resid 17 and name HG*)  2.0 0.2 3.7
assign (resid 16 and name HN) (resid 15 and name HA1)  2.0 0.2 2.2
assign (resid 16 and name HN) (resid 15 and name HA2)  2.0 0.2 3.7
assign (resid 17 and name HA) (resid 18 and name HD1)  2.0 0.2 2.2
assign (resid 17 and name HA) (resid 18 and name HD2)  2.0 0.2 3.7
assign (resid 17 and name HN) (resid 16 and name HA)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 16 and name HB1)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 16 and name HB2)  2.0 0.2 3.7
assign (resid 17 and name HN) (resid 16 and name HN)  2.0 0.2 2.2
assign (resid 18 and name HB1) (resid 19 and name HD*)  2.0 0.2 3.7
assign (resid 18 and name HB1) (resid 19 and name HG1)  2.0 0.2 3.7
assign (resid 18 and name HD1) (resid 17 and name HG*)  2.0 0.2 3.7
assign (resid 18 and name HD2) (resid 17 and name HG*)  2.0 0.2 3.7
assign (resid 18 and name HG*) (resid 19 and name HG1)  2.0 0.2 3.7
assign (resid 19 and name HN) (resid 18 and name HB1)  2.0 0.2 2.2
assign (resid 19 and name HN) (resid 18 and name HD1)  2.0 0.2 3.7
assign (resid 19 and name HN) (resid 18 and name HD2)  2.0 0.2 3.7
assign (resid 19 and name HN) (resid 20 and name HN)  2.0 0.2 3.7
assign (resid 2 and name HA) (resid 3 and name HD1)  2.0 0.2 2.2
assign (resid 2 and name HA) (resid 3 and name HD2)  2.0 0.2 0.9
assign (resid 2 and name HA) (resid 3 and name HG*)  2.0 0.2 3.7
assign (resid 2 and name HB1) (resid 1 and name HB2)  2.0 0.2 3.7
assign (resid 2 and name HB1) (resid 1 and name HD*)  2.0 0.2 3.7
assign (resid 2 and name HB1) (resid 1 and name HG)  2.0 0.2 2.2
assign (resid 2 and name HB2) (resid 1 and name HB1)  2.0 0.2 3.7
assign (resid 2 and name HN) (resid 1 and name HA)  2.0 0.2 0.9
assign (resid 2 and name HN) (resid 1 and name HB1)  2.0 0.2 3.7
assign (resid 2 and name HN) (resid 1 and name HB2)  2.0 0.2 3.7
assign (resid 2 and name HN) (resid 1 and name HD*)  2.0 0.2 2.2
assign (resid 20 and name HA) (resid 21 and name HB*)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 19 and name HA)  2.0 0.2 2.2
assign (resid 20 and name HN) (resid 19 and name HB1)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 19 and name HB2)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 19 and name HD*)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 19 and name HG1)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 19 and name HG2)  2.0 0.2 3.7
assign (resid 21 and name HA) (resid 22 and name HB1)  2.0 0.2 3.7
assign (resid 21 and name HA) (resid 22 and name HB2)  2.0 0.2 3.7
assign (resid 21 and name HN) (resid 20 and name HA)  2.0 0.2 2.2
assign (resid 21 and name HN) (resid 20 and name HG2*)  2.0 0.2 2.2
assign (resid 21 and name HN) (resid 20 and name HN)  2.0 0.2 2.2
assign (resid 22 and name HA) (resid 23 and name HB*)  2.0 0.2 3.7
assign (resid 22 and name HB2) (resid 21 and name HB*)  2.0 0.2 3.7
assign (resid 22 and name HB2) (resid 23 and name HB*)  2.0 0.2 3.7
assign (resid 22 and name HN) (resid 21 and name HA)  2.0 0.2 2.2
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assign (resid 23 and name HN) (resid 22 and name HA)  2.0 0.2 3.7
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assign (resid 26 and name HN) (resid 25 and name HA)  2.0 0.2 2.2
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assign (resid 27 and name HA) (resid 28 and name HB1)  2.0 0.2 3.7
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assign (resid 8 and name HA) (resid 9 and name HB*)  2.0 0.2 3.7
assign (resid 8 and name HN) (resid 7 and name HA)  2.0 0.2 2.2
assign (resid 8 and name HN) (resid 7 and name HB2)  2.0 0.2 3.7
assign (resid 80 and name HA) (resid 81 and name HD*)  2.0 0.2 2.2
assign (resid 80 and name HN) (resid 79 and name HA*)  2.0 0.2 3.7
assign (resid 81 and name HA) (resid 82 and name HG2*)  2.0 0.2 3.7
assign (resid 81 and name HD*) (resid 80 and name HB1)  2.0 0.2 2.2
assign (resid 81 and name HD*) (resid 80 and name HB2)  2.0 0.2 3.7
assign (resid 82 and name HN) (resid 81 and name HA)  2.0 0.2 2.2
assign (resid 82 and name HN) (resid 81 and name HG*)  2.0 0.2 3.7
assign (resid 82 and name HN) (resid 83 and name HN)  2.0 0.2 2.2
assign (resid 83 and name HA1) (resid 84 and name HB*)  2.0 0.2 3.7
assign (resid 83 and name HA1) (resid 84 and name HD1)  2.0 0.2 3.7
assign (resid 83 and name HA1) (resid 84 and name HD2)  2.0 0.2 2.2
assign (resid 83 and name HA2) (resid 84 and name HD2)  2.0 0.2 2.2
assign (resid 83 and name HN) (resid 82 and name HA)  2.0 0.2 2.2
assign (resid 84 and name HA) (resid 85 and name HG*)  2.0 0.2 3.7
assign (resid 84 and name HD1) (resid 85 and name HB2)  2.0 0.2 3.7
assign (resid 84 and name HD1) (resid 85 and name HG*)  2.0 0.2 2.2
assign (resid 85 and name HN) (resid 84 and name HA)  2.0 0.2 2.2
assign (resid 85 and name HN) (resid 84 and name HB*)  2.0 0.2 2.2
assign (resid 85 and name HN) (resid 84 and name HD1)  2.0 0.2 3.7
assign (resid 85 and name HN) (resid 84 and name HG*)  2.0 0.2 2.2
assign (resid 85 and name HN) (resid 86 and name HN)  2.0 0.2 2.2
assign (resid 86 and name HN) (resid 85 and name HA)  2.0 0.2 2.2
assign (resid 86 and name HN) (resid 85 and name HB2)  2.0 0.2 3.7
assign (resid 86 and name HN) (resid 85 and name HE*)  2.0 0.2 3.7
assign (resid 9 and name HA) (resid 10 and name HB2)  2.0 0.2 3.7
assign (resid 9 and name HA) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 9 and name HB*) (resid 8 and name HB)  2.0 0.2 3.7
assign (resid 9 and name HB*) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 9 and name HB*) (resid 8 and name HG1*)  2.0 0.2 3.7
assign (resid 9 and name HG*) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 9 and name HN) (resid 8 and name HA)  2.0 0.2 2.2
assign (resid 9 and name HN) (resid 8 and name HB)  2.0 0.2 3.7
assign (resid 9 and name HN) (resid 8 and name HD*)  2.0 0.2 0.9
assign (resid 9 and name HN) (resid 8 and name HG2*)  2.0 0.2 2.2
assign (resid 9 and name HN) (resid 8 and name HN)  2.0 0.2 2.2


!short range interresidue (|i - j| = 2,3,4,5) NOEs

assign (resid 1 and name HA) (resid 3 and name HD2)  2.0 0.2 3.7
assign (resid 10 and name HA) (resid 12 and name HB2)  2.0 0.2 3.7
assign (resid 10 and name HA) (resid 8 and name HB)  2.0 0.2 3.7
assign (resid 10 and name HA) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 10 and name HA) (resid 8 and name HG1*)  2.0 0.2 2.2
assign (resid 10 and name HB1) (resid 8 and name HB)  2.0 0.2 3.7
assign (resid 10 and name HB1) (resid 8 and name HD*)  2.0 0.2 2.2
assign (resid 10 and name HB1) (resid 8 and name HG1*)  2.0 0.2 2.2
assign (resid 10 and name HB2) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 10 and name HD2) (resid 8 and name HD*)  2.0 0.2 2.2
assign (resid 10 and name HD2) (resid 8 and name HG1*)  2.0 0.2 2.2
assign (resid 11 and name HE1) (resid 9 and name HB*)  2.0 0.2 3.7
assign (resid 11 and name HN) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 11 and name HN) (resid 8 and name HG1*)  2.0 0.2 3.7
assign (resid 11 and name HN) (resid 9 and name HA)  2.0 0.2 3.7
assign (resid 12 and name HD21) (resid 10 and name HB1)  2.0 0.2 3.7
assign (resid 12 and name HD21) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 12 and name HD21) (resid 9 and name HG*)  2.0 0.2 3.7
assign (resid 12 and name HD22) (resid 10 and name HA)  2.0 0.2 3.7
assign (resid 12 and name HD22) (resid 10 and name HB1)  2.0 0.2 3.7
assign (resid 12 and name HD22) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 12 and name HD22) (resid 9 and name HB*)  2.0 0.2 3.7
assign (resid 12 and name HN) (resid 10 and name HA)  2.0 0.2 2.2
assign (resid 12 and name HN) (resid 10 and name HB1)  2.0 0.2 3.7
assign (resid 12 and name HN) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 13 and name HB1) (resid 18 and name HB1)  2.0 0.2 3.7
assign (resid 14 and name HB1) (resid 17 and name HB2)  2.0 0.2 3.7
assign (resid 15 and name HA1) (resid 18 and name HD1)  2.0 0.2 3.7
assign (resid 15 and name HA1) (resid 18 and name HG*)  2.0 0.2 3.7
assign (resid 15 and name HA2) (resid 18 and name HD1)  2.0 0.2 2.2
assign (resid 15 and name HN) (resid 17 and name HN)  2.0 0.2 3.7
assign (resid 15 and name HN) (resid 18 and name HG*)  2.0 0.2 3.7
assign (resid 16 and name HB1) (resid 14 and name HB1)  2.0 0.2 2.2
assign (resid 16 and name HB1) (resid 14 and name HB2)  2.0 0.2 2.2
assign (resid 16 and name HB1) (resid 14 and name HG*)  2.0 0.2 2.2
assign (resid 16 and name HB2) (resid 14 and name HB1)  2.0 0.2 3.7
assign (resid 16 and name HB2) (resid 14 and name HG*)  2.0 0.2 2.2
assign (resid 16 and name HN) (resid 14 and name HA)  2.0 0.2 3.7
assign (resid 16 and name HN) (resid 14 and name HG*)  2.0 0.2 2.2
assign (resid 16 and name HN) (resid 18 and name HG*)  2.0 0.2 2.2
assign (resid 17 and name HA) (resid 14 and name HD*)  2.0 0.2 3.7
assign (resid 17 and name HA) (resid 20 and name HA)  2.0 0.2 3.7
assign (resid 17 and name HB1) (resid 14 and name HB2)  2.0 0.2 3.7
assign (resid 17 and name HB1) (resid 21 and name HB*)  2.0 0.2 3.7
assign (resid 17 and name HE21) (resid 14 and name HG*)  2.0 0.2 3.7
assign (resid 17 and name HG*) (resid 14 and name HG*)  2.0 0.2 2.2
assign (resid 17 and name HN) (resid 19 and name HA)  2.0 0.2 3.7
assign (resid 17 and name HN) (resid 20 and name HA)  2.0 0.2 3.7
assign (resid 17 and name HN) (resid 20 and name HG2*)  2.0 0.2 3.7
assign (resid 17 and name HN) (resid 20 and name HN)  2.0 0.2 3.7
assign (resid 18 and name HD2) (resid 13 and name HB2)  2.0 0.2 3.7
assign (resid 19 and name HN) (resid 17 and name HB2)  2.0 0.2 3.7
assign (resid 20 and name HB) (resid 23 and name HB*)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 17 and name HA)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 23 and name HD21)  2.0 0.2 3.7
assign (resid 20 and name HN) (resid 23 and name HD22)  2.0 0.2 3.7
assign (resid 21 and name HA) (resid 17 and name HB1)  2.0 0.2 3.7
assign (resid 21 and name HN) (resid 16 and name HN)  2.0 0.2 3.7
assign (resid 21 and name HN) (resid 18 and name HG*)  2.0 0.2 3.7
assign (resid 21 and name HN) (resid 19 and name HA)  2.0 0.2 3.7
assign (resid 21 and name HN) (resid 19 and name HG1)  2.0 0.2 3.7
assign (resid 21 and name HN) (resid 23 and name HB*)  2.0 0.2 3.7
assign (resid 22 and name HB2) (resid 20 and name HG2*)  2.0 0.2 3.7
assign (resid 22 and name HN) (resid 20 and name HA)  2.0 0.2 2.2
assign (resid 22 and name HN) (resid 20 and name HG2*)  2.0 0.2 3.7
assign (resid 23 and name HD21) (resid 20 and name HB)  2.0 0.2 3.7
assign (resid 23 and name HD22) (resid 20 and name HB)  2.0 0.2 3.7
assign (resid 23 and name HN) (resid 20 and name HA)  2.0 0.2 3.7
assign (resid 23 and name HN) (resid 20 and name HN)  2.0 0.2 3.7
assign (resid 23 and name HN) (resid 21 and name HA)  2.0 0.2 3.7
assign (resid 23 and name HN) (resid 21 and name HB*)  2.0 0.2 3.7
assign (resid 24 and name HA) (resid 27 and name HB*)  2.0 0.2 3.7
assign (resid 24 and name HB2) (resid 27 and name HB*)  2.0 0.2 2.2
assign (resid 24 and name HD*) (resid 27 and name HB*)  2.0 0.2 3.7
assign (resid 24 and name HE) (resid 28 and name HA)  2.0 0.2 3.7
assign (resid 24 and name HE) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 24 and name HE) (resid 28 and name HB2)  2.0 0.2 2.2
assign (resid 25 and name HA) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 25 and name HA) (resid 28 and name HB2)  2.0 0.2 3.7
assign (resid 25 and name HA) (resid 28 and name HE*)  2.0 0.2 3.7
assign (resid 25 and name HA) (resid 28 and name HG*)  2.0 0.2 3.7
assign (resid 25 and name HA) (resid 29 and name HE*)  2.0 0.2 3.7
assign (resid 25 and name HN) (resid 27 and name HB*)  2.0 0.2 3.7
assign (resid 25 and name HN) (resid 28 and name HB1)  2.0 0.2 2.2
assign (resid 26 and name HA) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 26 and name HB2) (resid 29 and name HD*)  2.0 0.2 3.7
assign (resid 26 and name HB2) (resid 29 and name HE*)  2.0 0.2 2.2
assign (resid 26 and name HD2) (resid 24 and name HB2)  2.0 0.2 3.7
assign (resid 26 and name HD2) (resid 24 and name HD*)  2.0 0.2 3.7
assign (resid 26 and name HD2) (resid 24 and name HG*)  2.0 0.2 3.7
assign (resid 26 and name HD2) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 26 and name HD2) (resid 28 and name HE*)  2.0 0.2 3.7
assign (resid 26 and name HE1) (resid 24 and name HN)  2.0 0.2 3.7
assign (resid 26 and name HN) (resid 24 and name HA)  2.0 0.2 3.7
assign (resid 26 and name HN) (resid 24 and name HB1)  2.0 0.2 3.7
assign (resid 26 and name HN) (resid 24 and name HG*)  2.0 0.2 3.7
assign (resid 26 and name HN) (resid 28 and name HA)  2.0 0.2 3.7
assign (resid 26 and name HN) (resid 28 and name HE*)  2.0 0.2 3.7
assign (resid 26 and name HN) (resid 29 and name HD*)  2.0 0.2 2.2
assign (resid 26 and name HN) (resid 29 and name HE*)  2.0 0.2 3.7
assign (resid 27 and name HA) (resid 29 and name HD*)  2.0 0.2 3.7
assign (resid 27 and name HA) (resid 30 and name HB*)  2.0 0.2 2.2
assign (resid 27 and name HN) (resid 24 and name HB2)  2.0 0.2 3.7
assign (resid 27 and name HN) (resid 24 and name HD*)  2.0 0.2 3.7
assign (resid 28 and name HN) (resid 25 and name HN)  2.0 0.2 3.7
assign (resid 28 and name HN) (resid 26 and name HA)  2.0 0.2 2.2
assign (resid 28 and name HN) (resid 30 and name HB*)  2.0 0.2 3.7
assign (resid 28 and name HZ*) (resid 26 and name HD2)  2.0 0.2 3.7
assign (resid 29 and name HN) (resid 26 and name HA)  2.0 0.2 3.7
assign (resid 29 and name HN) (resid 27 and name HB*)  2.0 0.2 3.7
assign (resid 3 and name HA) (resid 1 and name HA)  2.0 0.2 3.7
assign (resid 3 and name HD1) (resid 6 and name HB2)  2.0 0.2 3.7
assign (resid 30 and name HB*) (resid 27 and name HB*)  2.0 0.2 3.7
assign (resid 30 and name HB*) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 30 and name HN) (resid 27 and name HA)  2.0 0.2 3.7
assign (resid 30 and name HN) (resid 28 and name HB1)  2.0 0.2 3.7
assign (resid 30 and name HN) (resid 28 and name HB2)  2.0 0.2 3.7
assign (resid 30 and name HN) (resid 28 and name HE*)  2.0 0.2 3.7
assign (resid 30 and name HN) (resid 32 and name HE*)  2.0 0.2 3.7
assign (resid 31 and name HN) (resid 29 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HB2) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 32 and name HB2) (resid 35 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HB*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HB*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HD*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HD*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 29 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 34 and name HA)  2.0 0.2 2.2
assign (resid 32 and name HD*) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 29 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 29 and name HB*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 29 and name HB*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 29 and name HD*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 29 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 29 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 30 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 34 and name HA)  2.0 0.2 2.2
assign (resid 32 and name HE*) (resid 34 and name HB1)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 35 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 35 and name HG*)  2.0 0.2 3.7
assign (resid 32 and name HN) (resid 29 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HN) (resid 34 and name HA)  2.0 0.2 2.2
assign (resid 32 and name HN) (resid 35 and name HE21)  2.0 0.2 3.7
assign (resid 32 and name HN) (resid 35 and name HE21)  2.0 0.2 3.7
assign (resid 33 and name HA) (resid 31 and name HA)  2.0 0.2 3.7
assign (resid 33 and name HB1) (resid 35 and name HG*)  2.0 0.2 3.7
assign (resid 33 and name HN) (resid 35 and name HE21)  2.0 0.2 3.7
assign (resid 34 and name HA) (resid 32 and name HB2)  2.0 0.2 3.7
assign (resid 34 and name HB1) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 34 and name HB2) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 34 and name HN) (resid 31 and name HN)  2.0 0.2 3.7
assign (resid 34 and name HN) (resid 36 and name HN)  2.0 0.2 3.7
assign (resid 35 and name HE21) (resid 33 and name HA)  2.0 0.2 3.7
assign (resid 35 and name HE21) (resid 33 and name HB1)  2.0 0.2 2.2
assign (resid 36 and name HA) (resid 38 and name HB1)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 35 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 35 and name HG*)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 40 and name HB)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 43 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 35 and name HB2)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 40 and name HB)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 40 and name HG2*)  2.0 0.2 2.2
assign (resid 38 and name HE*) (resid 43 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 43 and name HD2*)  2.0 0.2 3.7
assign (resid 38 and name HN) (resid 35 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HN) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 38 and name HN) (resid 36 and name HN)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 40 and name HB)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 43 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 43 and name HD2*)  2.0 0.2 3.7
assign (resid 40 and name HB) (resid 43 and name HA)  2.0 0.2 3.7
assign (resid 40 and name HN) (resid 38 and name HN)  2.0 0.2 3.7
assign (resid 40 and name HN) (resid 43 and name HN)  2.0 0.2 3.7
assign (resid 41 and name HZ*) (resid 43 and name HA)  2.0 0.2 3.7
assign (resid 41 and name HZ*) (resid 43 and name HD1*)  2.0 0.2 3.7
assign (resid 42 and name HA*) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 42 and name HA*) (resid 45 and name HB)  2.0 0.2 3.7
assign (resid 42 and name HA*) (resid 45 and name HG11)  2.0 0.2 2.2
assign (resid 42 and name HA*) (resid 45 and name HG12)  2.0 0.2 2.2
assign (resid 42 and name HA*) (resid 45 and name HG2*)  2.0 0.2 2.2
assign (resid 42 and name HN) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 42 and name HN) (resid 45 and name HG2*)  2.0 0.2 3.7
assign (resid 42 and name HN) (resid 45 and name HN)  2.0 0.2 3.7
assign (resid 43 and name HA) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 43 and name HN) (resid 40 and name HB)  2.0 0.2 3.7
assign (resid 43 and name HN) (resid 41 and name HA)  2.0 0.2 3.7
assign (resid 43 and name HN) (resid 41 and name HE*)  2.0 0.2 2.2
assign (resid 43 and name HN) (resid 41 and name HZ*)  2.0 0.2 2.2
assign (resid 43 and name HN) (resid 45 and name HN)  2.0 0.2 2.2
assign (resid 44 and name HA1) (resid 49 and name HB1)  2.0 0.2 3.7
assign (resid 44 and name HA2) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 44 and name HN) (resid 41 and name HZ*)  2.0 0.2 3.7
assign (resid 44 and name HN) (resid 47 and name HN)  2.0 0.2 3.7
assign (resid 45 and name HN) (resid 42 and name HA*)  2.0 0.2 3.7
assign (resid 45 and name HN) (resid 43 and name HG)  2.0 0.2 3.7
assign (resid 47 and name HA) (resid 45 and name HD*)  2.0 0.2 3.7
assign (resid 47 and name HB*) (resid 45 and name HD*)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 45 and name HG11)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 45 and name HG2*)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 49 and name HA)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 49 and name HB1)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 50 and name HD*)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 50 and name HD*)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 44 and name HA2)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 45 and name HG11)  2.0 0.2 2.2
assign (resid 47 and name HE*) (resid 45 and name HG2*)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 49 and name HA)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 49 and name HB1)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 50 and name HD*)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 50 and name HG2)  2.0 0.2 3.7
assign (resid 47 and name HN) (resid 44 and name HA1)  2.0 0.2 3.7
assign (resid 47 and name HN) (resid 44 and name HA2)  2.0 0.2 2.2
assign (resid 47 and name HN) (resid 45 and name HA)  2.0 0.2 3.7
assign (resid 47 and name HN) (resid 45 and name HG2*)  2.0 0.2 3.7
assign (resid 48 and name HA*) (resid 50 and name HB*)  2.0 0.2 3.7
assign (resid 48 and name HA*) (resid 50 and name HD*)  2.0 0.2 3.7
assign (resid 49 and name HE) (resid 47 and name HD*)  2.0 0.2 3.7
assign (resid 49 and name HE) (resid 47 and name HE*)  2.0 0.2 3.7
assign (resid 5 and name HA) (resid 3 and name HD2)  2.0 0.2 3.7
assign (resid 5 and name HN) (resid 3 and name HA)  2.0 0.2 3.7
assign (resid 5 and name HN) (resid 3 and name HG*)  2.0 0.2 3.7
assign (resid 5 and name HN) (resid 7 and name HA)  2.0 0.2 3.7
assign (resid 50 and name HE*) (resid 53 and name HB*)  2.0 0.2 3.7
assign (resid 50 and name HN) (resid 47 and name HE*)  2.0 0.2 3.7
assign (resid 51 and name HE*) (resid 54 and name HG*)  2.0 0.2 3.7
assign (resid 51 and name HN) (resid 49 and name HA)  2.0 0.2 2.2
assign (resid 51 and name HN) (resid 49 and name HB1)  2.0 0.2 3.7
assign (resid 51 and name HN) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 51 and name HN) (resid 49 and name HE)  2.0 0.2 3.7
assign (resid 51 and name HN) (resid 49 and name HN)  2.0 0.2 3.7
assign (resid 51 and name HN) (resid 53 and name HB*)  2.0 0.2 3.7
assign (resid 52 and name HA) (resid 55 and name HG*)  2.0 0.2 3.7
assign (resid 52 and name HD*) (resid 54 and name HG*)  2.0 0.2 3.7
assign (resid 52 and name HE) (resid 54 and name HB2)  2.0 0.2 3.7
assign (resid 52 and name HE) (resid 54 and name HE22)  2.0 0.2 3.7
assign (resid 53 and name HA) (resid 50 and name HE*)  2.0 0.2 3.7
assign (resid 53 and name HA) (resid 50 and name HG2)  2.0 0.2 3.7
assign (resid 53 and name HB*) (resid 50 and name HG1)  2.0 0.2 2.2
assign (resid 53 and name HB*) (resid 50 and name HG2)  2.0 0.2 2.2
assign (resid 53 and name HG*) (resid 51 and name HG*)  2.0 0.2 3.7
assign (resid 53 and name HN) (resid 51 and name HN)  2.0 0.2 3.7
assign (resid 53 and name HN) (resid 55 and name HN)  2.0 0.2 3.7
assign (resid 54 and name HB2) (resid 52 and name HB*)  2.0 0.2 3.7
assign (resid 54 and name HB2) (resid 56 and name HB*)  2.0 0.2 3.7
assign (resid 54 and name HB2) (resid 56 and name HG*)  2.0 0.2 3.7
assign (resid 54 and name HB2) (resid 57 and name HB*)  2.0 0.2 2.2
assign (resid 54 and name HB2) (resid 57 and name HG*)  2.0 0.2 3.7
assign (resid 54 and name HE22) (resid 51 and name HE*)  2.0 0.2 3.7
assign (resid 54 and name HN) (resid 51 and name HB*)  2.0 0.2 3.7
assign (resid 54 and name HN) (resid 52 and name HG*)  2.0 0.2 3.7
assign (resid 54 and name HN) (resid 57 and name HB*)  2.0 0.2 3.7
assign (resid 55 and name HA) (resid 52 and name HB*)  2.0 0.2 3.7
assign (resid 55 and name HN) (resid 52 and name HN)  2.0 0.2 3.7
assign (resid 55 and name HN) (resid 53 and name HA)  2.0 0.2 3.7
assign (resid 55 and name HN) (resid 57 and name HB*)  2.0 0.2 3.7
assign (resid 56 and name HA) (resid 54 and name HB2)  2.0 0.2 3.7
assign (resid 56 and name HA) (resid 58 and name HD1)  2.0 0.2 2.2
assign (resid 56 and name HA) (resid 58 and name HD2)  2.0 0.2 2.2
assign (resid 56 and name HD*) (resid 54 and name HB2)  2.0 0.2 2.2
assign (resid 56 and name HN) (resid 54 and name HA)  2.0 0.2 3.7
assign (resid 57 and name HA) (resid 54 and name HB2)  2.0 0.2 2.2
assign (resid 57 and name HA) (resid 54 and name HG*)  2.0 0.2 3.7
assign (resid 57 and name HA) (resid 59 and name HB*)  2.0 0.2 3.7
assign (resid 57 and name HD*) (resid 54 and name HB2)  2.0 0.2 2.2
assign (resid 57 and name HE) (resid 54 and name HE22)  2.0 0.2 3.7
assign (resid 57 and name HN) (resid 54 and name HB2)  2.0 0.2 2.2
assign (resid 57 and name HN) (resid 55 and name HA)  2.0 0.2 3.7
assign (resid 57 and name HN) (resid 55 and name HB*)  2.0 0.2 3.7
assign (resid 58 and name HD1) (resid 56 and name HB*)  2.0 0.2 3.7
assign (resid 58 and name HD1) (resid 56 and name HG*)  2.0 0.2 3.7
assign (resid 58 and name HD2) (resid 56 and name HB*)  2.0 0.2 3.7
assign (resid 58 and name HD2) (resid 56 and name HG*)  2.0 0.2 3.7
assign (resid 59 and name HA) (resid 56 and name HB*)  2.0 0.2 3.7
assign (resid 59 and name HB*) (resid 56 and name HB*)  2.0 0.2 3.7
assign (resid 59 and name HB*) (resid 56 and name HG*)  2.0 0.2 3.7
assign (resid 59 and name HN) (resid 56 and name HB*)  2.0 0.2 3.7
assign (resid 59 and name HN) (resid 56 and name HD*)  2.0 0.2 3.7
assign (resid 59 and name HN) (resid 56 and name HG*)  2.0 0.2 3.7
assign (resid 59 and name HN) (resid 57 and name HB*)  2.0 0.2 3.7
assign (resid 59 and name HN) (resid 57 and name HD*)  2.0 0.2 3.7
assign (resid 6 and name HA) (resid 3 and name HD1)  2.0 0.2 2.2
assign (resid 6 and name HA) (resid 3 and name HG*)  2.0 0.2 3.7
assign (resid 6 and name HD1) (resid 3 and name HG*)  2.0 0.2 3.7
assign (resid 6 and name HD1) (resid 8 and name HD*)  2.0 0.2 3.7
assign (resid 6 and name HD2) (resid 3 and name HG*)  2.0 0.2 3.7
assign (resid 60 and name HA) (resid 63 and name HB1)  2.0 0.2 3.7
assign (resid 60 and name HA) (resid 63 and name HB2)  2.0 0.2 2.2
assign (resid 60 and name HA) (resid 63 and name HG*)  2.0 0.2 3.7
assign (resid 60 and name HA) (resid 65 and name HB1)  2.0 0.2 3.7
assign (resid 60 and name HG*) (resid 63 and name HB1)  2.0 0.2 2.2
assign (resid 60 and name HG*) (resid 63 and name HB2)  2.0 0.2 2.2
assign (resid 60 and name HN) (resid 63 and name HB1)  2.0 0.2 3.7
assign (resid 60 and name HN) (resid 63 and name HB2)  2.0 0.2 3.7
assign (resid 61 and name HN) (resid 59 and name HA)  2.0 0.2 3.7
assign (resid 61 and name HN) (resid 59 and name HB*)  2.0 0.2 3.7
assign (resid 61 and name HN) (resid 63 and name HA)  2.0 0.2 3.7
assign (resid 63 and name HA) (resid 60 and name HG*)  2.0 0.2 3.7
assign (resid 63 and name HG*) (resid 60 and name HB2)  2.0 0.2 2.2
assign (resid 63 and name HN) (resid 60 and name HB1)  2.0 0.2 3.7
assign (resid 63 and name HN) (resid 60 and name HB2)  2.0 0.2 2.2
assign (resid 63 and name HN) (resid 60 and name HG*)  2.0 0.2 3.7
assign (resid 63 and name HN) (resid 61 and name HA*)  2.0 0.2 2.2
assign (resid 63 and name HN) (resid 65 and name HB1)  2.0 0.2 3.7
assign (resid 64 and name HB) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 64 and name HN) (resid 61 and name HA*)  2.0 0.2 3.7
assign (resid 65 and name HA) (resid 68 and name HD1)  2.0 0.2 3.7
assign (resid 65 and name HA) (resid 68 and name HD2)  2.0 0.2 3.7
assign (resid 65 and name HB2) (resid 68 and name HG*)  2.0 0.2 3.7
assign (resid 65 and name HB2) (resid 69 and name HB)  2.0 0.2 3.7
assign (resid 65 and name HB2) (resid 69 and name HG12)  2.0 0.2 3.7
assign (resid 65 and name HB2) (resid 69 and name HG2*)  2.0 0.2 2.2
assign (resid 65 and name HD2) (resid 68 and name HD1)  2.0 0.2 3.7
assign (resid 65 and name HD2) (resid 68 and name HD2)  2.0 0.2 3.7
assign (resid 65 and name HE1) (resid 63 and name HN)  2.0 0.2 3.7
assign (resid 65 and name HN) (resid 63 and name HB1)  2.0 0.2 3.7
assign (resid 65 and name HN) (resid 63 and name HB2)  2.0 0.2 3.7
assign (resid 65 and name HN) (resid 63 and name HG*)  2.0 0.2 3.7
assign (resid 65 and name HN) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 66 and name HE21) (resid 69 and name HG2*)  2.0 0.2 3.7
assign (resid 66 and name HE22) (resid 64 and name HB)  2.0 0.2 3.7
assign (resid 66 and name HE22) (resid 68 and name HG*)  2.0 0.2 3.7
assign (resid 66 and name HN) (resid 64 and name HG2*)  2.0 0.2 3.7
assign (resid 66 and name HN) (resid 69 and name HN)  2.0 0.2 2.2
assign (resid 67 and name HA) (resid 70 and name HB2)  2.0 0.2 2.2
assign (resid 67 and name HB2) (resid 70 and name HG*)  2.0 0.2 3.7
assign (resid 67 and name HN) (resid 70 and name HB2)  2.0 0.2 3.7
assign (resid 67 and name HN) (resid 70 and name HD1)  2.0 0.2 2.2
assign (resid 68 and name HA) (resid 70 and name HD2)  2.0 0.2 3.7
assign (resid 68 and name HA) (resid 70 and name HG*)  2.0 0.2 3.7
assign (resid 68 and name HD1) (resid 66 and name HB2)  2.0 0.2 3.7
assign (resid 68 and name HD2) (resid 70 and name HG*)  2.0 0.2 3.7
assign (resid 69 and name HA) (resid 71 and name HD*)  2.0 0.2 3.7
assign (resid 69 and name HN) (resid 66 and name HE21)  2.0 0.2 3.7
assign (resid 69 and name HN) (resid 72 and name HE21)  2.0 0.2 3.7
assign (resid 7 and name HA) (resid 4 and name HB)  2.0 0.2 3.7
assign (resid 7 and name HB2) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 7 and name HD21) (resid 10 and name HD2)  2.0 0.2 3.7
assign (resid 7 and name HD21) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 7 and name HN) (resid 10 and name HD2)  2.0 0.2 2.2
assign (resid 7 and name HN) (resid 10 and name HG*)  2.0 0.2 3.7
assign (resid 71 and name HE*) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 71 and name HG*) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 71 and name HN) (resid 69 and name HD*)  2.0 0.2 2.2
assign (resid 71 and name HN) (resid 69 and name HG12)  2.0 0.2 3.7
assign (resid 72 and name HA) (resid 74 and name HB1)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 69 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 69 and name HG2*)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 70 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 74 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HE21) (resid 74 and name HB2)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 69 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 69 and name HG2*)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 74 and name HA)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 74 and name HB2)  2.0 0.2 3.7
assign (resid 72 and name HE22) (resid 75 and name HB*)  2.0 0.2 3.7
assign (resid 72 and name HN) (resid 69 and name HB)  2.0 0.2 3.7
assign (resid 72 and name HN) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 72 and name HN) (resid 69 and name HG12)  2.0 0.2 2.2
assign (resid 72 and name HN) (resid 70 and name HD2)  2.0 0.2 3.7
assign (resid 72 and name HN) (resid 74 and name HB1)  2.0 0.2 2.2
assign (resid 72 and name HN) (resid 74 and name HB2)  2.0 0.2 3.7
assign (resid 74 and name HA) (resid 77 and name HD1)  2.0 0.2 2.2
assign (resid 74 and name HB1) (resid 71 and name HG*)  2.0 0.2 3.7
assign (resid 74 and name HB2) (resid 71 and name HD*)  2.0 0.2 3.7
assign (resid 74 and name HB2) (resid 71 and name HG*)  2.0 0.2 3.7
assign (resid 74 and name HB2) (resid 72 and name HG*)  2.0 0.2 3.7
assign (resid 74 and name HN) (resid 72 and name HA)  2.0 0.2 3.7
assign (resid 74 and name HN) (resid 72 and name HB2)  2.0 0.2 3.7
assign (resid 74 and name HN) (resid 77 and name HB1)  2.0 0.2 3.7
assign (resid 74 and name HN) (resid 77 and name HB2)  2.0 0.2 3.7
assign (resid 74 and name HN) (resid 77 and name HD2)  2.0 0.2 3.7
assign (resid 74 and name HN) (resid 77 and name HG*)  2.0 0.2 2.2
assign (resid 75 and name HA) (resid 77 and name HD2)  2.0 0.2 3.7
assign (resid 75 and name HB*) (resid 77 and name HD2)  2.0 0.2 3.7
assign (resid 75 and name HN) (resid 77 and name HD1)  2.0 0.2 2.2
assign (resid 75 and name HN) (resid 78 and name HB2)  2.0 0.2 3.7
assign (resid 75 and name HN) (resid 78 and name HG*)  2.0 0.2 3.7
assign (resid 76 and name HE21) (resid 73 and name HB2)  2.0 0.2 3.7
assign (resid 76 and name HE21) (resid 74 and name HB2)  2.0 0.2 3.7
assign (resid 76 and name HE21) (resid 79 and name HA*)  2.0 0.2 3.7
assign (resid 76 and name HE22) (resid 73 and name HB2)  2.0 0.2 2.2
assign (resid 76 and name HE22) (resid 74 and name HA)  2.0 0.2 3.7
assign (resid 76 and name HN) (resid 74 and name HB2)  2.0 0.2 3.7
assign (resid 76 and name HN) (resid 78 and name HG*)  2.0 0.2 2.2
assign (resid 78 and name HN) (resid 75 and name HN)  2.0 0.2 3.7
assign (resid 78 and name HN) (resid 76 and name HN)  2.0 0.2 3.7
assign (resid 78 and name HN) (resid 80 and name HN)  2.0 0.2 3.7
assign (resid 79 and name HN) (resid 76 and name HA)  2.0 0.2 3.7
assign (resid 79 and name HN) (resid 76 and name HB1)  2.0 0.2 3.7
assign (resid 79 and name HN) (resid 77 and name HD1)  2.0 0.2 3.7
assign (resid 8 and name HA) (resid 6 and name HG*)  2.0 0.2 3.7
assign (resid 8 and name HN) (resid 10 and name HB1)  2.0 0.2 3.7
assign (resid 8 and name HN) (resid 10 and name HD2)  2.0 0.2 2.2
assign (resid 8 and name HN) (resid 6 and name HA)  2.0 0.2 3.7
assign (resid 80 and name HB1) (resid 82 and name HG2*)  2.0 0.2 3.7
assign (resid 82 and name HA) (resid 80 and name HB1)  2.0 0.2 3.7
assign (resid 82 and name HB) (resid 84 and name HD1)  2.0 0.2 2.2
assign (resid 82 and name HB) (resid 84 and name HD2)  2.0 0.2 2.2
assign (resid 82 and name HB) (resid 84 and name HG*)  2.0 0.2 3.7
assign (resid 82 and name HB) (resid 85 and name HB1)  2.0 0.2 3.7
assign (resid 82 and name HB) (resid 85 and name HB2)  2.0 0.2 2.2
assign (resid 83 and name HA1) (resid 85 and name HD*)  2.0 0.2 3.7
assign (resid 83 and name HN) (resid 85 and name HB1)  2.0 0.2 3.7
assign (resid 83 and name HN) (resid 85 and name HB2)  2.0 0.2 2.2
assign (resid 84 and name HA) (resid 86 and name HB2)  2.0 0.2 2.2
assign (resid 84 and name HA) (resid 86 and name HG*)  2.0 0.2 2.2
assign (resid 84 and name HD2) (resid 86 and name HG*)  2.0 0.2 3.7
assign (resid 86 and name HN) (resid 84 and name HA)  2.0 0.2 3.7
assign (resid 9 and name HA) (resid 6 and name HB1)  2.0 0.2 2.2
assign (resid 9 and name HA) (resid 6 and name HD2)  2.0 0.2 2.2
assign (resid 9 and name HA) (resid 6 and name HG*)  2.0 0.2 2.2
assign (resid 9 and name HN) (resid 11 and name HD1)  2.0 0.2 3.7
assign (resid 9 and name HN) (resid 11 and name HN)  2.0 0.2 3.7
assign (resid 9 and name HN) (resid 4 and name HB)  2.0 0.2 3.7
assign (resid 9 and name HN) (resid 6 and name HD1)  2.0 0.2 3.7


!long range interresidue (|i - j| > 5) NOEs

assign (resid 1 and name HB2) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 11 and name HD1) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HE1) (resid 36 and name HB)  2.0 0.2 3.7
assign (resid 11 and name HE1) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HE3) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HH2) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HZ2) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 11 and name HZ3) (resid 36 and name HG*)  2.0 0.2 3.7
assign (resid 12 and name HB2) (resid 63 and name HB1)  2.0 0.2 3.7
assign (resid 12 and name HD21) (resid 63 and name HB2)  2.0 0.2 3.7
assign (resid 12 and name HD21) (resid 63 and name HE22)  2.0 0.2 2.2
assign (resid 13 and name HB2) (resid 19 and name HD*)  2.0 0.2 3.7
assign (resid 13 and name HB2) (resid 19 and name HG1)  2.0 0.2 3.7
assign (resid 13 and name HB2) (resid 19 and name HG2)  2.0 0.2 2.2
assign (resid 13 and name HE1) (resid 28 and name HB*)  2.0 0.2 3.7
assign (resid 13 and name HE1) (resid 28 and name HD*)  2.0 0.2 3.7
assign (resid 13 and name HE1) (resid 28 and name HG*)  2.0 0.2 3.7
assign (resid 16 and name HA) (resid 83 and name HA2)  2.0 0.2 3.7
assign (resid 16 and name HB1) (resid 84 and name HG*)  2.0 0.2 3.7
assign (resid 16 and name HB2) (resid 84 and name HD2)  2.0 0.2 2.2
assign (resid 16 and name HB2) (resid 84 and name HG*)  2.0 0.2 2.2
assign (resid 17 and name HE21) (resid 83 and name HA1)  2.0 0.2 3.7
assign (resid 19 and name HG2) (resid 64 and name HG2*)  2.0 0.2 2.2
assign (resid 23 and name HN) (resid 17 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HB1) (resid 45 and name HB)  2.0 0.2 3.7
assign (resid 32 and name HB2) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 32 and name HB2) (resid 43 and name HD1*)  2.0 0.2 2.2
assign (resid 32 and name HB2) (resid 43 and name HD2*)  2.0 0.2 3.7
assign (resid 32 and name HB2) (resid 45 and name HB)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 43 and name HB*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 43 and name HD1*)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 43 and name HD2*)  2.0 0.2 2.2
assign (resid 32 and name HD*) (resid 45 and name HA)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 45 and name HB)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 45 and name HG11)  2.0 0.2 3.7
assign (resid 32 and name HD*) (resid 45 and name HG2*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 43 and name HD1*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 43 and name HD2*)  2.0 0.2 3.7
assign (resid 32 and name HE*) (resid 45 and name HG2*)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 44 and name HA2)  2.0 0.2 3.7
assign (resid 38 and name HD*) (resid 50 and name HD*)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 44 and name HA2)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 49 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 38 and name HE*) (resid 50 and name HG2)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 47 and name HB*)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 47 and name HD*)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 49 and name HA)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 49 and name HB1)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 38 and name HZ) (resid 49 and name HB2)  2.0 0.2 3.7
assign (resid 40 and name HA) (resid 1 and name HA)  2.0 0.2 3.7
assign (resid 40 and name HB) (resid 47 and name HB*)  2.0 0.2 3.7
assign (resid 40 and name HN) (resid 1 and name HB2)  2.0 0.2 3.7
assign (resid 40 and name HN) (resid 47 and name HD*)  2.0 0.2 3.7
assign (resid 40 and name HN) (resid 47 and name HE*)  2.0 0.2 3.7
assign (resid 45 and name HA) (resid 32 and name HB1)  2.0 0.2 3.7
assign (resid 47 and name HA) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 47 and name HB*) (resid 40 and name HG2*)  2.0 0.2 2.2
assign (resid 47 and name HD*) (resid 40 and name HA)  2.0 0.2 3.7
assign (resid 47 and name HD*) (resid 40 and name HB)  2.0 0.2 2.2
assign (resid 47 and name HD*) (resid 40 and name HG2*)  2.0 0.2 2.2
assign (resid 47 and name HE*) (resid 40 and name HA)  2.0 0.2 3.7
assign (resid 47 and name HE*) (resid 40 and name HB)  2.0 0.2 2.2
assign (resid 47 and name HE*) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 47 and name HN) (resid 40 and name HB)  2.0 0.2 3.7
assign (resid 47 and name HN) (resid 40 and name HG2*)  2.0 0.2 2.2
assign (resid 49 and name HE) (resid 35 and name HE22)  2.0 0.2 2.2
assign (resid 5 and name HB1) (resid 55 and name HG*)  2.0 0.2 3.7
assign (resid 50 and name HG2) (resid 39 and name HG2*)  2.0 0.2 3.7
assign (resid 55 and name HD*) (resid 5 and name HB1)  2.0 0.2 3.7
assign (resid 56 and name HD*) (resid 9 and name HG*)  2.0 0.2 3.7
assign (resid 56 and name HE) (resid 9 and name HG*)  2.0 0.2 3.7
assign (resid 57 and name HD*) (resid 68 and name HB*)  2.0 0.2 3.7
assign (resid 57 and name HD*) (resid 68 and name HG*)  2.0 0.2 3.7
assign (resid 60 and name HA) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 60 and name HB1) (resid 69 and name HG11)  2.0 0.2 3.7
assign (resid 60 and name HB2) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 60 and name HE21) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 60 and name HG*) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 63 and name HG*) (resid 12 and name HB1)  2.0 0.2 3.7
assign (resid 63 and name HG*) (resid 69 and name HD*)  2.0 0.2 3.7
assign (resid 63 and name HG*) (resid 69 and name HG11)  2.0 0.2 3.7
assign (resid 64 and name HN) (resid 13 and name HB1)  2.0 0.2 3.7
assign (resid 65 and name HD2) (resid 12 and name HD22)  2.0 0.2 3.7
assign (resid 66 and name HE22) (resid 10 and name HB2)  2.0 0.2 3.7
assign (resid 68 and name HA) (resid 57 and name HG*)  2.0 0.2 3.7
assign (resid 68 and name HG*) (resid 57 and name HG*)  2.0 0.2 3.7
assign (resid 7 and name HD22) (resid 40 and name HA)  2.0 0.2 3.7
assign (resid 7 and name HD22) (resid 40 and name HG2*)  2.0 0.2 3.7
assign (resid 76 and name HA) (resid 82 and name HA)  2.0 0.2 3.7
assign (resid 76 and name HA) (resid 86 and name HA)  2.0 0.2 3.7
assign (resid 76 and name HN) (resid 85 and name HB2)  2.0 0.2 3.7
assign (resid 78 and name HA) (resid 86 and name HG*)  2.0 0.2 3.7
assign (resid 78 and name HN) (resid 86 and name HA)  2.0 0.2 3.7
assign (resid 78 and name HN) (resid 86 and name HG*)  2.0 0.2 3.7
assign (resid 82 and name HB) (resid 14 and name HD*)  2.0 0.2 3.7
assign (resid 82 and name HB) (resid 14 and name HG*)  2.0 0.2 3.7
assign (resid 82 and name HB) (resid 16 and name HB1)  2.0 0.2 3.7
assign (resid 9 and name HG*) (resid 56 and name HG*)  2.0 0.2 3.7
        

!dihedral angle restraints for the phi angles
                                            
assign (resid   1 and name C ) (resid   2 and name N )
       (resid   2 and name CA) (resid   2 and name C ) 1   60 40   2 !  5.9 ASP    2
assign (resid   3 and name C ) (resid   4 and name N )
       (resid   4 and name CA) (resid   4 and name C ) 1  -72 20   2 !  5.8 VAL    4
assign (resid   6 and name C ) (resid   7 and name N )
       (resid   7 and name CA) (resid   7 and name C ) 1  -76 20   2 !  6.2 ASN    7
assign (resid   7 and name C ) (resid   8 and name N )
       (resid   8 and name CA) (resid   8 and name C ) 1 -120 40   2 !  10.4 ILE   8
assign (resid  10 and name C ) (resid  11 and name N )
       (resid  11 and name CA) (resid  11 and name C ) 1 -120 40   2 !  11.7 TRP  11
assign (resid  11 and name C ) (resid  12 and name N )
       (resid  12 and name CA) (resid  12 and name C ) 1 -120 40   2 !  9.4 ASN   12
assign (resid  12 and name C ) (resid  13 and name N )
       (resid  13 and name CA) (resid  13 and name C ) 1 -120 40   2 !  9.6 HIS   13
assign (resid  15 and name C ) (resid  16 and name N )
       (resid  16 and name CA) (resid  16 and name C ) 1 -150 30   2 !  7.4 SER   16
assign (resid  16 and name C ) (resid  17 and name N )
       (resid  17 and name CA) (resid  17 and name C ) 1 -120 40   2 !  10.4 GLN   17
assign (resid  22 and name C ) (resid  23 and name N )
       (resid  23 and name CA) (resid  23 and name C ) 1  -76 20   2 !  6.2 ASN   23
assign (resid  25 and name C ) (resid  26 and name N )
       (resid  26 and name CA) (resid  26 and name C ) 1 -160 30   2 !  6.2 HIS   26
assign (resid  31 and name C ) (resid  32 and name N )
       (resid  32 and name CA) (resid  32 and name C ) 1 -150 30   2 !  7.5 TYR   32
assign (resid  37 and name C ) (resid  38 and name N )
       (resid  38 and name CA) (resid  38 and name C ) 1 -120 40   2 !  8.6 PHE   38
assign (resid  38 and name C ) (resid  39 and name N )
       (resid  39 and name CA) (resid  39 and name C ) 1  -67 20   2 !  5.0 ILE   39
assign (resid  40 and name C ) (resid  41 and name N )
       (resid  41 and name CA) (resid  41 and name C ) 1  -71 20   2 !  5.6 LYS   41
assign (resid  46 and name C ) (resid  47 and name N )
       (resid  47 and name CA) (resid  47 and name C ) 1  -78 20   2 !  6.5 TYR   47
assign (resid  62 and name C ) (resid  63 and name N )
       (resid  63 and name CA) (resid  63 and name C ) 1  -75 20   2 !  6.1 GLN   63
assign (resid  63 and name C ) (resid  64 and name N )
       (resid  64 and name CA) (resid  64 and name C ) 1   40 30   2 !  5.4 THR   64
assign (resid  64 and name C ) (resid  65 and name N )
       (resid  65 and name CA) (resid  65 and name C ) 1  -76 20   2 !  6.3 HIS   65
assign (resid  66 and name C ) (resid  67 and name N )
       (resid  67 and name CA) (resid  67 and name C ) 1  -80 40   2 !  6.7 ASP   67
assign (resid  79 and name C ) (resid  80 and name N )
       (resid  80 and name CA) (resid  80 and name C ) 1  -77 20   2 !  6.4 ASP   80
assign (resid  84 and name C ) (resid  85 and name N )
       (resid  85 and name CA) (resid  85 and name C ) 1 -120 40   2 !  8.1 LYS   85
assign (resid  85 and name C ) (resid  86 and name N )
       (resid  86 and name CA) (resid  86 and name C ) 1  -76 20   2 !  6.3 GLU   86


! coupling constant restraints

 assign (resid  1  and name c ) (resid  2  and name n ) 
        (resid  2  and name ca) (resid  2  and name c )  5.9  1.0
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c )  5.8  1.0
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )  6.2  1.0
 assign (resid  7  and name c ) (resid  8  and name n ) 
        (resid  8  and name ca) (resid  8  and name c )  10.4  1.0
 assign (resid 10  and name c ) (resid 11  and name n ) 
        (resid 11  and name ca) (resid 11  and name c )  11.7  1.0
 assign (resid 11  and name c ) (resid 12  and name n ) 
        (resid 12  and name ca) (resid 12  and name c )  9.4  1.0
 assign (resid 12  and name c ) (resid 13  and name n ) 
        (resid 13  and name ca) (resid 13  and name c )  9.6  1.0
 assign (resid 15  and name c ) (resid 16  and name n ) 
        (resid 16  and name ca) (resid 16  and name c )  7.4  1.0
 assign (resid 16  and name c ) (resid 17  and name n ) 
        (resid 17  and name ca) (resid 17  and name c )  10.4  1.0
 assign (resid 22  and name c ) (resid 23  and name n ) 
        (resid 23  and name ca) (resid 23  and name c )  6.2  1.0
 assign (resid 25  and name c ) (resid 26  and name n ) 
        (resid 26  and name ca) (resid 26  and name c )  6.2  1.0
 assign (resid 31  and name c ) (resid 32  and name n ) 
        (resid 32  and name ca) (resid 32  and name c )  7.5  1.0
 assign (resid 37  and name c ) (resid 38  and name n ) 
        (resid 38  and name ca) (resid 38  and name c )  8.6  1.0
 assign (resid 38  and name c ) (resid 39  and name n ) 
        (resid 39  and name ca) (resid 39  and name c )  5.0  1.0
 assign (resid 40  and name c ) (resid 41  and name n ) 
        (resid 41  and name ca) (resid 41  and name c )  5.6  1.0
 assign (resid 46  and name c ) (resid 47  and name n ) 
        (resid 47  and name ca) (resid 47  and name c )  6.5  1.0
 assign (resid 62  and name c ) (resid 63  and name n ) 
        (resid 63  and name ca) (resid 63  and name c )  6.1  1.0
 assign (resid 63  and name c ) (resid 64  and name n ) 
        (resid 64  and name ca) (resid 64  and name c )  5.4  1.0
 assign (resid 64  and name c ) (resid 65  and name n ) 
        (resid 65  and name ca) (resid 65  and name c )  6.3  1.0
 assign (resid 66  and name c ) (resid 67  and name n ) 
        (resid 67  and name ca) (resid 67  and name c )  6.7  1.0
 assign (resid 79  and name c ) (resid 80  and name n ) 
        (resid 80  and name ca) (resid 80  and name c )  6.4  1.0
 assign (resid 84  and name c ) (resid 85  and name n ) 
        (resid 85  and name ca) (resid 85  and name c )  8.1  1.0
 assign (resid 85  and name c ) (resid 86  and name n ) 
        (resid 86  and name ca) (resid 86  and name c )  6.3  1.0

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    LEU   1           HT1      LEU   1 -25.401  20.321  20.321
    2   2H    LEU   1           HT3      LEU   1 -24.137  20.942  20.942
    3   3H    LEU   1           HT2      LEU   1 -25.645  20.615  20.615
    4    HA   LEU   1           HA       LEU   1 -24.340  18.808  18.808
    5   1HB   LEU   1           HB2      LEU   1 -22.781  17.744  17.744
    6   2HB   LEU   1           HB1      LEU   1 -22.506  19.491  19.491
    7    HG   LEU   1           HG       LEU   1 -24.382  19.234  19.234
    8   1HD1  LEU   1          HD12      LEU   1 -23.380  16.621  16.621
    9   2HD1  LEU   1          HD11      LEU   1 -22.683  17.256  17.256
   10   3HD1  LEU   1          HD13      LEU   1 -24.433  17.232  17.232
   11   1HD2  LEU   1          HD23      LEU   1 -21.978  20.349  20.349
   12   2HD2  LEU   1          HD22      LEU   1 -22.794  20.150  20.150
   13   3HD2  LEU   1          HD21      LEU   1 -21.552  19.001  19.001
   14    H    ASP   2           HN       ASP   2 -24.689  16.454  16.454
   15    HA   ASP   2           HA       ASP   2 -26.249  14.725  14.725
   16   1HB   ASP   2           HB2      ASP   2 -25.058  15.450  15.450
   17   2HB   ASP   2           HB1      ASP   2 -26.739  15.836  15.836
   18    HA   PRO   3           HA       PRO   3 -29.967  17.520  17.520
   19   1HB   PRO   3           HB2      PRO   3 -30.184  17.979  17.979
   20   2HB   PRO   3           HB1      PRO   3 -29.230  18.993  18.993
   21   1HG   PRO   3           HG2      PRO   3 -28.301  17.067  17.067
   22   2HG   PRO   3           HG1      PRO   3 -27.465  18.430  18.430
   23   1HD   PRO   3           HD2      PRO   3 -27.342  15.633  15.633
   24   2HD   PRO   3           HD1      PRO   3 -26.326  16.962  16.962
   25    H    VAL   4           HN       VAL   4 -29.901  15.939  15.939
   26    HA   VAL   4           HA       VAL   4 -32.197  14.234  14.234
   27    HB   VAL   4           HB       VAL   4 -30.232  14.639  14.639
   28   1HG1  VAL   4          HG11      VAL   4 -32.473  12.596  12.596
   29   2HG1  VAL   4          HG13      VAL   4 -31.557  13.105  13.105
   30   3HG1  VAL   4          HG12      VAL   4 -30.748  12.244  12.244
   31   1HG2  VAL   4          HG21      VAL   4 -32.934  15.528  15.528
   32   2HG2  VAL   4          HG23      VAL   4 -31.711  16.261  16.261
   33   3HG2  VAL   4          HG22      VAL   4 -32.745  14.977  14.977
   34    H    ASP   5           HN       ASP   5 -28.819  13.675  13.675
   35    HA   ASP   5           HA       ASP   5 -28.425  11.617  11.617
   36   1HB   ASP   5           HB2      ASP   5 -29.124  10.969  10.969
   37   2HB   ASP   5           HB1      ASP   5 -27.503  10.337  10.337
   38    HA   PRO   6           HA       PRO   6 -24.392  13.212  13.212
   39   1HB   PRO   6           HB2      PRO   6 -23.954  13.370  13.370
   40   2HB   PRO   6           HB1      PRO   6 -23.894  11.832  11.832
   41   1HG   PRO   6           HG2      PRO   6 -25.905  12.782  12.782
   42   2HG   PRO   6           HG1      PRO   6 -25.624  11.131  11.131
   43   1HD   PRO   6           HD2      PRO   6 -27.474  13.197  13.197
   44   2HD   PRO   6           HD1      PRO   6 -27.525  11.432  11.432
   45    H    ASN   7           HN       ASN   7 -23.479  15.251  15.251
   46    HA   ASN   7           HA       ASN   7 -25.212  17.479  17.479
   47   1HB   ASN   7           HB2      ASN   7 -22.714  17.197  17.197
   48   2HB   ASN   7           HB1      ASN   7 -23.483  18.761  18.761
   49   1HD2  ASN   7          HD22      ASN   7 -21.015  17.188  17.188
   50   2HD2  ASN   7          HD21      ASN   7 -21.085  16.670  16.670
   51    H    ILE   8           HN       ILE   8 -24.179  16.184  16.184
   52    HA   ILE   8           HA       ILE   8 -26.792  17.100  17.100
   53    HB   ILE   8           HB       ILE   8 -25.650  18.011  18.011
   54   1HG1  ILE   8          HG12      ILE   8 -23.852  16.205  16.205
   55   2HG1  ILE   8          HG11      ILE   8 -23.297  17.826  17.826
   56   1HG2  ILE   8          HG22      ILE   8 -25.001  18.918  18.918
   57   2HG2  ILE   8          HG21      ILE   8 -23.741  19.360  19.360
   58   3HG2  ILE   8          HG23      ILE   8 -25.407  19.858  19.858
   59   1HD1  ILE   8          HD12      ILE   8 -22.903  17.819  17.819
   60   2HD1  ILE   8          HD11      ILE   8 -22.719  16.096  16.096
   61   3HD1  ILE   8          HD13      ILE   8 -21.686  17.265  17.265
   62    H    GLU   9           HN       GLU   9 -25.234  14.439  14.439
   63    HA   GLU   9           HA       GLU   9 -25.151  12.227  12.227
   64   1HB   GLU   9           HB2      GLU   9 -27.458  13.510  13.510
   65   2HB   GLU   9           HB1      GLU   9 -26.932  11.857  11.857
   66   1HG   GLU   9           HG2      GLU   9 -27.177  11.244  11.244
   67   2HG   GLU   9           HG1      GLU   9 -27.772  12.877  12.877
   68    HA   PRO  10           HA       PRO  10 -22.759  13.603  13.603
   69   1HB   PRO  10           HB2      PRO  10 -20.304  13.761  13.761
   70   2HB   PRO  10           HB1      PRO  10 -21.509  15.103  15.103
   71   1HG   PRO  10           HG2      PRO  10 -20.733  13.236  13.236
   72   2HG   PRO  10           HG1      PRO  10 -21.035  14.994  14.994
   73   1HD   PRO  10           HD2      PRO  10 -22.680  12.798  12.798
   74   2HD   PRO  10           HD1      PRO  10 -23.252  14.451  14.451
   75    H    TRP  11           HN       TRP  11 -23.455  10.903  10.903
   76    HA   TRP  11           HA       TRP  11 -20.884   9.427   9.427
   77   1HB   TRP  11           HB2      TRP  11 -23.658   8.511   8.511
   78   2HB   TRP  11           HB1      TRP  11 -22.136   7.575   7.575
   79    HD1  TRP  11           HD1      TRP  11 -23.313  10.786  10.786
   80    HE1  TRP  11           HE1      TRP  11 -22.047  10.905  10.905
   81    HE3  TRP  11           HE3      TRP  11 -20.369   6.641   6.641
   82    HZ2  TRP  11           HZ2      TRP  11 -20.042   9.409   9.409
   83    HZ3  TRP  11           HZ3      TRP  11 -18.802   6.022   6.022
   84    HH2  TRP  11           HH2      TRP  11 -18.635   7.395   7.395
   85    H    ASN  12           HN       ASN  12 -21.668  10.590  10.590
   86    HA   ASN  12           HA       ASN  12 -22.713   8.295   8.295
   87   1HB   ASN  12           HB2      ASN  12 -23.759  10.399  10.399
   88   2HB   ASN  12           HB1      ASN  12 -24.599   9.535   9.535
   89   1HD2  ASN  12          HD22      ASN  12 -24.237  12.139  12.139
   90   2HD2  ASN  12          HD21      ASN  12 -24.350  10.454  10.454
   91    H    HIS  13           HN       HIS  13 -21.054   7.750   7.750
   92    HA   HIS  13           HA       HIS  13 -19.141   9.828   9.828
   93   1HB   HIS  13           HB2      HIS  13 -19.223   6.857   6.857
   94   2HB   HIS  13           HB1      HIS  13 -17.945   7.567   7.567
   95    HD1  HIS  13           HD1      HIS  13 -16.496   6.477   6.477
   96    HD2  HIS  13           HD2      HIS  13 -18.711   9.924   9.924
   97    HE1  HIS  13           HE1      HIS  13 -15.531   7.498   7.498
   98    HA   PRO  14           HA       PRO  14 -20.699   9.591   9.591
   99   1HB   PRO  14           HB2      PRO  14 -18.415  10.336  10.336
  100   2HB   PRO  14           HB1      PRO  14 -19.465  11.438  11.438
  101   1HG   PRO  14           HG2      PRO  14 -16.869  10.160  10.160
  102   2HG   PRO  14           HG1      PRO  14 -17.415  11.796  11.796
  103   1HD   PRO  14           HD2      PRO  14 -17.471   9.676   9.676
  104   2HD   PRO  14           HD1      PRO  14 -18.489  11.155  11.155
  105    H    GLY  15           HN       GLY  15 -18.175   7.627   7.627
  106   1HA   GLY  15           HA2      GLY  15 -17.397   5.530   5.530
  107   2HA   GLY  15           HA1      GLY  15 -18.695   5.445   5.445
  108    H    SER  16           HN       SER  16 -16.663   8.234   8.234
  109    HA   SER  16           HA       SER  16 -14.896   7.040   7.040
  110   1HB   SER  16           HB2      SER  16 -17.053   9.060   9.060
  111   2HB   SER  16           HB1      SER  16 -15.527   9.361   9.361
  112    HG   SER  16           HG       SER  16 -16.271   8.132   8.132
  113    H    GLN  17           HN       GLN  17 -14.981   8.648   8.648
  114    HA   GLN  17           HA       GLN  17 -12.546  10.243  10.243
  115   1HB   GLN  17           HB2      GLN  17 -15.116  11.143  11.143
  116   2HB   GLN  17           HB1      GLN  17 -13.470  11.717  11.717
  117   1HG   GLN  17           HG2      GLN  17 -13.631  13.138  13.138
  118   2HG   GLN  17           HG1      GLN  17 -13.637  11.736  11.736
  119   1HE2  GLN  17          HE21      GLN  17 -15.745  10.971  10.971
  120   2HE2  GLN  17          HE22      GLN  17 -17.139  11.944  11.944
  121    HA   PRO  18           HA       PRO  18 -12.284   9.054   9.054
  122   1HB   PRO  18           HB2      PRO  18 -14.397   7.770   7.770
  123   2HB   PRO  18           HB1      PRO  18 -14.234   9.545   9.545
  124   1HG   PRO  18           HG2      PRO  18 -15.881   7.756   7.756
  125   2HG   PRO  18           HG1      PRO  18 -16.281   9.333   9.333
  126   1HD   PRO  18           HD2      PRO  18 -15.645   9.033   9.033
  127   2HD   PRO  18           HD1      PRO  18 -15.236  10.507  10.507
  128    H    LYS  19           HN       LYS  19 -14.165   6.949   6.949
  129    HA   LYS  19           HA       LYS  19 -12.908   4.472   4.472
  130   1HB   LYS  19           HB2      LYS  19 -14.741   5.126   5.126
  131   2HB   LYS  19           HB1      LYS  19 -14.403   3.467   3.467
  132   1HG   LYS  19           HG2      LYS  19 -15.571   5.616   5.616
  133   2HG   LYS  19           HG1      LYS  19 -16.579   4.421   4.421
  134   1HD   LYS  19           HD2      LYS  19 -15.207   2.621   2.621
  135   2HD   LYS  19           HD1      LYS  19 -14.491   3.900   3.900
  136   1HE   LYS  19           HE2      LYS  19 -16.864   4.568   4.568
  137   2HE   LYS  19           HE1      LYS  19 -17.409   3.067   3.067
  138   1HZ   LYS  19           HZ2      LYS  19 -15.288   3.260   3.260
  139   2HZ   LYS  19           HZ1      LYS  19 -16.879   2.736   2.736
  140   3HZ   LYS  19           HZ3      LYS  19 -15.854   1.828   1.828
  141    H    THR  20           HN       THR  20 -12.924   6.463   6.463
  142    HA   THR  20           HA       THR  20 -10.885   4.872   4.872
  143    HB   THR  20           HB       THR  20 -11.930   7.683   7.683
  144    HG1  THR  20           HG1      THR  20 -13.183   6.553   6.553
  145   1HG2  THR  20          HG23      THR  20 -10.024   5.927   5.927
  146   2HG2  THR  20          HG22      THR  20 -11.195   6.819   6.819
  147   3HG2  THR  20          HG21      THR  20 -10.090   7.687   7.687
  148    H    ALA  21           HN       ALA  21 -10.991   7.930   7.930
  149    HA   ALA  21           HA       ALA  21  -9.329   9.190   9.190
  150   1HB   ALA  21           HB2      ALA  21  -9.087   6.928   6.928
  151   2HB   ALA  21           HB1      ALA  21  -7.804   6.581   6.581
  152   3HB   ALA  21           HB3      ALA  21  -7.605   7.882   7.882
  153    H    SER  22           HN       SER  22  -8.992   8.205   8.205
  154    HA   SER  22           HA       SER  22  -6.206   8.885   8.885
  155   1HB   SER  22           HB2      SER  22  -7.750   7.428   7.428
  156   2HB   SER  22           HB1      SER  22  -8.593   8.919   8.919
  157    HG   SER  22           HG       SER  22  -7.118   8.756   8.756
  158    H    ASN  23           HN       ASN  23  -9.283  10.550  10.550
  159    HA   ASN  23           HA       ASN  23  -8.373  13.054  13.054
  160   1HB   ASN  23           HB2      ASN  23 -10.563  13.747  13.747
  161   2HB   ASN  23           HB1      ASN  23 -10.773  12.008  12.008
  162   1HD2  ASN  23          HD22      ASN  23 -11.343  11.692  11.692
  163   2HD2  ASN  23          HD21      ASN  23 -10.672  10.855  10.855
  164    H    ARG  24           HN       ARG  24  -8.146  11.694  11.694
  165    HA   ARG  24           HA       ARG  24  -6.701  14.118  14.118
  166   1HB   ARG  24           HB2      ARG  24  -8.185  14.222  14.222
  167   2HB   ARG  24           HB1      ARG  24  -8.939  14.652  14.652
  168   1HG   ARG  24           HG2      ARG  24  -9.662  12.104  12.104
  169   2HG   ARG  24           HG1      ARG  24  -9.322  12.249  12.249
  170   1HD   ARG  24           HD2      ARG  24 -10.913  14.480  14.480
  171   2HD   ARG  24           HD1      ARG  24 -11.739  12.907  12.907
  172    HE   ARG  24           HE       ARG  24 -10.299  13.075  13.075
  173   1HH1  ARG  24          HH21      ARG  24 -10.456  15.913  15.913
  174   2HH1  ARG  24          HH22      ARG  24 -12.040  16.224  16.224
  175   1HH2  ARG  24          HH11      ARG  24 -13.281  13.092  13.092
  176   2HH2  ARG  24          HH12      ARG  24 -13.643  14.623  14.623
  177    H    ALA  25           HN       ALA  25  -8.011  11.217  11.217
  178    HA   ALA  25           HA       ALA  25  -6.909   9.520   9.520
  179   1HB   ALA  25           HB1      ALA  25  -5.269  10.282  10.282
  180   2HB   ALA  25           HB3      ALA  25  -4.281   9.675   9.675
  181   3HB   ALA  25           HB2      ALA  25  -5.576   8.679   8.679
  182    H    HIS  26           HN       HIS  26  -7.083  11.919  11.919
  183    HA   HIS  26           HA       HIS  26  -4.852  11.570  11.570
  184   1HB   HIS  26           HB2      HIS  26  -4.356  14.204  14.204
  185   2HB   HIS  26           HB1      HIS  26  -3.486  12.955  12.955
  186    HD1  HIS  26           HD1      HIS  26  -3.038  14.735  14.735
  187    HD2  HIS  26           HD2      HIS  26  -7.051  13.783  13.783
  188    HE1  HIS  26           HE1      HIS  26  -4.291  15.665  15.665
  189    H    ALA  27           HN       ALA  27  -7.107  14.273  14.273
  190    HA   ALA  27           HA       ALA  27  -7.697  14.811  14.811
  191   1HB   ALA  27           HB2      ALA  27  -9.076  15.544  15.544
  192   2HB   ALA  27           HB1      ALA  27  -9.424  16.288  16.288
  193   3HB   ALA  27           HB3      ALA  27  -7.835  16.488  16.488
  194    H    LYS  28           HN       LYS  28  -8.965  12.531  12.531
  195    HA   LYS  28           HA       LYS  28 -11.620  12.173  12.173
  196   1HB   LYS  28           HB2      LYS  28 -11.157  11.268  11.268
  197   2HB   LYS  28           HB1      LYS  28  -9.595  10.630  10.630
  198   1HG   LYS  28           HG2      LYS  28 -11.756   9.368   9.368
  199   2HG   LYS  28           HG1      LYS  28 -12.138   9.320   9.320
  200   1HD   LYS  28           HD2      LYS  28  -9.608   8.289   8.289
  201   2HD   LYS  28           HD1      LYS  28 -10.898   7.336   7.336
  202   1HE   LYS  28           HE2      LYS  28 -10.375   8.215   8.215
  203   2HE   LYS  28           HE1      LYS  28  -9.150   9.299   9.299
  204   1HZ   LYS  28           HZ2      LYS  28  -8.151   7.266   7.266
  205   2HZ   LYS  28           HZ1      LYS  28  -9.149   6.345   6.345
  206   3HZ   LYS  28           HZ3      LYS  28  -7.991   7.390   7.390
  207    H    LYS  29           HN       LYS  29  -8.824   9.973   9.973
  208    HA   LYS  29           HA       LYS  29 -10.073   8.806   8.806
  209   1HB   LYS  29           HB2      LYS  29  -8.257   7.286   7.286
  210   2HB   LYS  29           HB1      LYS  29  -8.592   7.661   7.661
  211   1HG   LYS  29           HG2      LYS  29  -6.490   9.276   9.276
  212   2HG   LYS  29           HG1      LYS  29  -6.138   7.689   7.689
  213   1HD   LYS  29           HD2      LYS  29  -7.353   8.774   8.774
  214   2HD   LYS  29           HD1      LYS  29  -6.703  10.218  10.218
  215   1HE   LYS  29           HE2      LYS  29  -5.024   9.419   9.419
  216   2HE   LYS  29           HE1      LYS  29  -4.452   8.973   8.973
  217   1HZ   LYS  29           HZ3      LYS  29  -6.162   7.209   7.209
  218   2HZ   LYS  29           HZ2      LYS  29  -4.467   7.117   7.117
  219   3HZ   LYS  29           HZ1      LYS  29  -5.305   6.775   6.775
  220    H    SER  30           HN       SER  30  -7.702  11.296  11.296
  221    HA   SER  30           HA       SER  30  -6.204  12.485  12.485
  222   1HB   SER  30           HB2      SER  30  -8.987  12.998  12.998
  223   2HB   SER  30           HB1      SER  30  -8.328  13.269  13.269
  224    HG   SER  30           HG       SER  30  -7.897  15.113  15.113
  225    H    ALA  31           HN       ALA  31  -6.222   9.686   9.686
  226    HA   ALA  31           HA       ALA  31  -5.713   8.384   8.384
  227   1HB   ALA  31           HB3      ALA  31  -3.747   9.825   9.825
  228   2HB   ALA  31           HB2      ALA  31  -4.404  11.029  11.029
  229   3HB   ALA  31           HB1      ALA  31  -3.913   9.448   9.448
  230    H    TYR  32           HN       TYR  32  -8.351   9.185   9.185
  231    HA   TYR  32           HA       TYR  32  -8.300   9.426   9.426
  232   1HB   TYR  32           HB2      TYR  32 -10.099  11.083  11.083
  233   2HB   TYR  32           HB1      TYR  32  -8.540  11.843  11.843
  234    HD1  TYR  32           HD1      TYR  32  -8.689  11.110  11.110
  235    HD2  TYR  32           HD2      TYR  32 -11.913  11.898  11.898
  236    HE1  TYR  32           HE1      TYR  32 -10.142  11.673  11.673
  237    HE2  TYR  32           HE2      TYR  32 -13.381  12.463  12.463
  238    HH   TYR  32           HH       TYR  32 -13.105  11.612  11.612
  239    H    HIS  33           HN       HIS  33  -8.911   7.263   7.263
  240    HA   HIS  33           HA       HIS  33 -10.548   5.616   5.616
  241   1HB   HIS  33           HB2      HIS  33 -11.618   7.050   7.050
  242   2HB   HIS  33           HB1      HIS  33 -12.249   5.509   5.509
  243    HD1  HIS  33           HD1      HIS  33 -10.672   3.444   3.444
  244    HD2  HIS  33           HD2      HIS  33  -9.121   6.949   6.949
  245    HE1  HIS  33           HE1      HIS  33  -8.679   2.757   2.757
  246    H    SER  34           HN       SER  34 -10.890   8.541   8.541
  247    HA   SER  34           HA       SER  34 -12.403   9.705   9.705
  248   1HB   SER  34           HB2      SER  34 -12.340   7.336   7.336
  249   2HB   SER  34           HB1      SER  34 -13.843   7.091   7.091
  250    HG   SER  34           HG       SER  34 -13.367   8.489   8.489
  251    H    GLN  35           HN       GLN  35 -15.351   8.312   8.312
  252    HA   GLN  35           HA       GLN  35 -17.285   8.547   8.547
  253   1HB   GLN  35           HB2      GLN  35 -15.516   9.875   9.875
  254   2HB   GLN  35           HB1      GLN  35 -17.114   9.150   9.150
  255   1HG   GLN  35           HG2      GLN  35 -16.379   6.903   6.903
  256   2HG   GLN  35           HG1      GLN  35 -14.844   7.568   7.568
  257   1HE2  GLN  35          HE22      GLN  35 -13.045   8.278   8.278
  258   2HE2  GLN  35          HE21      GLN  35 -13.286   8.633   8.633
  259    H    VAL  36           HN       VAL  36 -15.240  11.218  11.218
  260    HA   VAL  36           HA       VAL  36 -15.701  13.483  13.483
  261    HB   VAL  36           HB       VAL  36 -17.963  13.759  13.759
  262   1HG1  VAL  36          HG12      VAL  36 -16.203  11.484  11.484
  263   2HG1  VAL  36          HG11      VAL  36 -17.411  12.274  12.274
  264   3HG1  VAL  36          HG13      VAL  36 -16.029  13.189  13.189
  265   1HG2  VAL  36          HG21      VAL  36 -19.335  12.090  12.090
  266   2HG2  VAL  36          HG23      VAL  36 -19.421  12.203  12.203
  267   3HG2  VAL  36          HG22      VAL  36 -18.522  10.889  10.889
  268    H    ALA  37           HN       ALA  37 -18.023  15.028  15.028
  269    HA   ALA  37           HA       ALA  37 -17.979  15.423  15.423
  270   1HB   ALA  37           HB1      ALA  37 -19.324  16.815  16.815
  271   2HB   ALA  37           HB3      ALA  37 -19.449  17.383  17.383
  272   3HB   ALA  37           HB2      ALA  37 -17.879  17.341  17.341
  273    H    PHE  38           HN       PHE  38 -19.066  13.395  13.395
  274    HA   PHE  38           HA       PHE  38 -21.894  13.133  13.133
  275   1HB   PHE  38           HB2      PHE  38 -21.612  10.808  10.808
  276   2HB   PHE  38           HB1      PHE  38 -20.306  11.333  11.333
  277    HD1  PHE  38           HD1      PHE  38 -18.097  11.535  11.535
  278    HD2  PHE  38           HD2      PHE  38 -21.100  10.694  10.694
  279    HE1  PHE  38           HE1      PHE  38 -16.339  10.965  10.965
  280    HE2  PHE  38           HE2      PHE  38 -19.351  10.130  10.130
  281    HZ   PHE  38           HZ       PHE  38 -16.967  10.260  10.260
  282    H    ILE  39           HN       ILE  39 -22.354  11.619  11.619
  283    HA   ILE  39           HA       ILE  39 -23.873  13.580  13.580
  284    HB   ILE  39           HB       ILE  39 -24.087  11.909  11.909
  285   1HG1  ILE  39          HG12      ILE  39 -22.202   9.952   9.952
  286   2HG1  ILE  39          HG11      ILE  39 -21.336  11.373  11.373
  287   1HG2  ILE  39          HG22      ILE  39 -24.460  11.387  11.387
  288   2HG2  ILE  39          HG21      ILE  39 -23.785   9.911   9.911
  289   3HG2  ILE  39          HG23      ILE  39 -25.265  10.598  10.598
  290   1HD1  ILE  39          HD12      ILE  39 -22.577  11.366  11.366
  291   2HD1  ILE  39          HD11      ILE  39 -23.292   9.825   9.825
  292   3HD1  ILE  39          HD13      ILE  39 -21.548   9.955   9.955
  293    H    THR  40           HN       THR  40 -20.408  12.883  12.883
  294    HA   THR  40           HA       THR  40 -20.402  15.024  15.024
  295    HB   THR  40           HB       THR  40 -18.759  12.469  12.469
  296    HG1  THR  40           HG1      THR  40 -20.275  11.670  11.670
  297   1HG2  THR  40          HG22      THR  40 -18.538  14.951  14.951
  298   2HG2  THR  40          HG21      THR  40 -18.434  13.455  13.455
  299   3HG2  THR  40          HG23      THR  40 -17.309  13.750  13.750
  300    H    LYS  41           HN       LYS  41 -18.587  16.408  16.408
  301    HA   LYS  41           HA       LYS  41 -17.287  16.810  16.810
  302   1HB   LYS  41           HB2      LYS  41 -17.067  18.007  18.007
  303   2HB   LYS  41           HB1      LYS  41 -16.065  18.570  18.570
  304   1HG   LYS  41           HG2      LYS  41 -19.020  18.311  18.311
  305   2HG   LYS  41           HG1      LYS  41 -18.414  19.710  19.710
  306   1HD   LYS  41           HD2      LYS  41 -18.419  20.479  20.479
  307   2HD   LYS  41           HD1      LYS  41 -16.760  19.942  19.942
  308   1HE   LYS  41           HE2      LYS  41 -18.360  17.650  17.650
  309   2HE   LYS  41           HE1      LYS  41 -18.653  19.034  19.034
  310   1HZ   LYS  41           HZ2      LYS  41 -15.946  18.317  18.317
  311   2HZ   LYS  41           HZ1      LYS  41 -16.632  17.545  17.545
  312   3HZ   LYS  41           HZ3      LYS  41 -16.383  19.221  19.221
  313    H    GLY  42           HN       GLY  42 -14.810  16.986  16.986
  314   1HA   GLY  42           HA2      GLY  42 -12.654  16.151  16.151
  315   2HA   GLY  42           HA1      GLY  42 -13.383  15.069  15.069
  316    H    LEU  43           HN       LEU  43 -15.426  14.399  14.399
  317    HA   LEU  43           HA       LEU  43 -15.641  12.867  12.867
  318   1HB   LEU  43           HB2      LEU  43 -12.664  13.555  13.555
  319   2HB   LEU  43           HB1      LEU  43 -13.756  12.629  12.629
  320    HG   LEU  43           HG       LEU  43 -15.190  14.430  14.430
  321   1HD1  LEU  43          HD11      LEU  43 -13.648  16.096  16.096
  322   2HD1  LEU  43          HD13      LEU  43 -14.713  16.757  16.757
  323   3HD1  LEU  43          HD12      LEU  43 -15.370  15.714  15.714
  324   1HD2  LEU  43          HD22      LEU  43 -12.173  14.865  14.865
  325   2HD2  LEU  43          HD21      LEU  43 -13.220  14.563  14.563
  326   3HD2  LEU  43          HD23      LEU  43 -13.189  16.157  16.157
  327    H    GLY  44           HN       GLY  44 -15.346  11.759  11.759
  328   1HA   GLY  44           HA2      GLY  44 -14.920   9.612   9.612
  329   2HA   GLY  44           HA1      GLY  44 -14.469   9.091   9.091
  330    H    ILE  45           HN       ILE  45 -12.622  11.789  11.789
  331    HA   ILE  45           HA       ILE  45 -10.163  10.395  10.395
  332    HB   ILE  45           HB       ILE  45  -9.396  12.484  12.484
  333   1HG1  ILE  45          HG12      ILE  45 -11.498  14.183  14.183
  334   2HG1  ILE  45          HG11      ILE  45 -12.314  12.809  12.809
  335   1HG2  ILE  45          HG21      ILE  45 -10.693  12.419  12.419
  336   2HG2  ILE  45          HG23      ILE  45 -10.057  13.943  13.943
  337   3HG2  ILE  45          HG22      ILE  45  -8.985  12.558  12.558
  338   1HD1  ILE  45          HD13      ILE  45 -10.195  13.189  13.189
  339   2HD1  ILE  45          HD12      ILE  45 -10.292  14.811  14.811
  340   3HD1  ILE  45          HD11      ILE  45 -11.677  14.131  14.131
  341    H    SER  46           HN       SER  46 -11.898  11.591  11.591
  342    HA   SER  46           HA       SER  46 -11.447   9.181   9.181
  343   1HB   SER  46           HB2      SER  46  -9.056  10.327  10.327
  344   2HB   SER  46           HB1      SER  46  -9.592  11.380  11.380
  345    HG   SER  46           HG       SER  46  -8.790   9.802   9.802
  346    H    TYR  47           HN       TYR  47 -13.539  11.317  11.317
  347    HA   TYR  47           HA       TYR  47 -13.593  12.805  12.805
  348   1HB   TYR  47           HB2      TYR  47 -15.771  13.572  13.572
  349   2HB   TYR  47           HB1      TYR  47 -14.580  13.585  13.585
  350    HD1  TYR  47           HD1      TYR  47 -17.361  11.587  11.587
  351    HD2  TYR  47           HD2      TYR  47 -14.802  12.262  12.262
  352    HE1  TYR  47           HE1      TYR  47 -18.737  10.041  10.041
  353    HE2  TYR  47           HE2      TYR  47 -16.166  10.728  10.728
  354    HH   TYR  47           HH       TYR  47 -19.216   9.466   9.466
  355    H    GLY  48           HN       GLY  48 -14.663   9.658   9.658
  356   1HA   GLY  48           HA2      GLY  48 -15.189   8.067   8.067
  357   2HA   GLY  48           HA1      GLY  48 -16.284   9.308   9.308
  358    H    ARG  49           HN       ARG  49 -15.618   7.532   7.532
  359    HA   ARG  49           HA       ARG  49 -18.211   7.957   7.957
  360   1HB   ARG  49           HB2      ARG  49 -16.103   5.851   5.851
  361   2HB   ARG  49           HB1      ARG  49 -17.372   6.351   6.351
  362   1HG   ARG  49           HG2      ARG  49 -16.265   8.334   8.334
  363   2HG   ARG  49           HG1      ARG  49 -15.423   8.404   8.404
  364   1HD   ARG  49           HD2      ARG  49 -13.812   7.829   7.829
  365   2HD   ARG  49           HD1      ARG  49 -14.160   6.318   6.318
  366    HE   ARG  49           HE       ARG  49 -15.979   6.835   6.835
  367   1HH1  ARG  49          HH21      ARG  49 -15.993   4.178   4.178
  368   2HH1  ARG  49          HH22      ARG  49 -14.624   3.558   3.558
  369   1HH2  ARG  49          HH11      ARG  49 -12.909   6.579   6.579
  370   2HH2  ARG  49          HH12      ARG  49 -12.874   4.920   4.920
  371    H    LYS  50           HN       LYS  50 -19.788   6.225   6.225
  372    HA   LYS  50           HA       LYS  50 -19.930   4.138   4.138
  373   1HB   LYS  50           HB2      LYS  50 -22.399   4.555   4.555
  374   2HB   LYS  50           HB1      LYS  50 -21.464   5.921   5.921
  375   1HG   LYS  50           HG2      LYS  50 -21.939   5.847   5.847
  376   2HG   LYS  50           HG1      LYS  50 -23.381   6.038   6.038
  377   1HD   LYS  50           HD2      LYS  50 -20.902   7.794   7.794
  378   2HD   LYS  50           HD1      LYS  50 -22.417   8.217   8.217
  379   1HE   LYS  50           HE2      LYS  50 -23.455   7.611   7.611
  380   2HE   LYS  50           HE1      LYS  50 -21.790   7.965   7.965
  381   1HZ   LYS  50           HZ3      LYS  50 -21.899  10.034  10.034
  382   2HZ   LYS  50           HZ2      LYS  50 -23.527   9.715   9.715
  383   3HZ   LYS  50           HZ1      LYS  50 -23.061  10.007  10.007
  384    H    LYS  51           HN       LYS  51 -19.662   4.597   4.597
  385    HA   LYS  51           HA       LYS  51 -19.787   3.079   3.079
  386   1HB   LYS  51           HB2      LYS  51 -20.818   1.101   1.101
  387   2HB   LYS  51           HB1      LYS  51 -20.276   0.765   0.765
  388   1HG   LYS  51           HG2      LYS  51 -18.281   2.379   2.379
  389   2HG   LYS  51           HG1      LYS  51 -18.626   0.821   0.821
  390   1HD   LYS  51           HD2      LYS  51 -16.851   0.450   0.450
  391   2HD   LYS  51           HD1      LYS  51 -18.290  -0.210  -0.210
  392   1HE   LYS  51           HE2      LYS  51 -18.402   1.546   1.546
  393   2HE   LYS  51           HE1      LYS  51 -17.486   2.662   2.662
  394   1HZ   LYS  51           HZ1      LYS  51 -16.404   0.154   0.154
  395   2HZ   LYS  51           HZ3      LYS  51 -16.126   1.709   1.709
  396   3HZ   LYS  51           HZ2      LYS  51 -15.532   1.288   1.288
  397    H    ARG  52           HN       ARG  52 -22.681   2.719   2.719
  398    HA   ARG  52           HA       ARG  52 -24.414   2.277   2.277
  399   1HB   ARG  52           HB2      ARG  52 -25.316   2.831   2.831
  400   2HB   ARG  52           HB1      ARG  52 -26.070   1.811   1.811
  401   1HG   ARG  52           HG2      ARG  52 -23.625   1.304   1.304
  402   2HG   ARG  52           HG1      ARG  52 -25.080   0.303   0.303
  403   1HD   ARG  52           HD2      ARG  52 -22.892   0.594   0.594
  404   2HD   ARG  52           HD1      ARG  52 -23.341  -0.840  -0.840
  405    HE   ARG  52           HE       ARG  52 -24.863   0.321   0.321
  406   1HH1  ARG  52          HH21      ARG  52 -27.137   0.064   0.064
  407   2HH1  ARG  52          HH22      ARG  52 -27.513  -1.625  -1.625
  408   1HH2  ARG  52          HH11      ARG  52 -24.359  -2.633  -2.633
  409   2HH2  ARG  52          HH12      ARG  52 -25.939  -3.155  -3.155
  410    H    ARG  53           HN       ARG  53 -22.956   4.999   4.999
  411    HA   ARG  53           HA       ARG  53 -24.958   6.977   6.977
  412   1HB   ARG  53           HB2      ARG  53 -23.170   8.479   8.479
  413   2HB   ARG  53           HB1      ARG  53 -22.606   7.312   7.312
  414   1HG   ARG  53           HG2      ARG  53 -21.208   6.294   6.294
  415   2HG   ARG  53           HG1      ARG  53 -22.414   6.145   6.145
  416   1HD   ARG  53           HD2      ARG  53 -21.994   8.620   8.620
  417   2HD   ARG  53           HD1      ARG  53 -20.556   8.446   8.446
  418    HE   ARG  53           HE       ARG  53 -20.969   7.159   7.159
  419   1HH1  ARG  53          HH11      ARG  53 -20.238   4.877   4.877
  420   2HH1  ARG  53          HH12      ARG  53 -18.507   4.930   4.930
  421   1HH2  ARG  53          HH21      ARG  53 -18.326   8.218   8.218
  422   2HH2  ARG  53          HH22      ARG  53 -17.422   6.828   6.828
  423    H    GLN  54           HN       GLN  54 -24.211   5.129   5.129
  424    HA   GLN  54           HA       GLN  54 -25.242   7.062   7.062
  425   1HB   GLN  54           HB2      GLN  54 -24.821   4.055   4.055
  426   2HB   GLN  54           HB1      GLN  54 -24.902   5.246   5.246
  427   1HG   GLN  54           HG2      GLN  54 -22.863   6.313   6.313
  428   2HG   GLN  54           HG1      GLN  54 -22.755   5.314   5.314
  429   1HE2  GLN  54          HE22      GLN  54 -21.885   2.315   2.315
  430   2HE2  GLN  54          HE21      GLN  54 -22.906   2.792   2.792
  431    H    ARG  55           HN       ARG  55 -26.508   4.226   4.226
  432    HA   ARG  55           HA       ARG  55 -28.708   3.413   3.413
  433   1HB   ARG  55           HB2      ARG  55 -29.109   6.379   6.379
  434   2HB   ARG  55           HB1      ARG  55 -30.438   5.297   5.297
  435   1HG   ARG  55           HG2      ARG  55 -29.192   4.601   4.601
  436   2HG   ARG  55           HG1      ARG  55 -28.036   5.880   5.880
  437   1HD   ARG  55           HD2      ARG  55 -29.570   6.929   6.929
  438   2HD   ARG  55           HD1      ARG  55 -30.111   7.454   7.454
  439    HE   ARG  55           HE       ARG  55 -31.337   4.931   4.931
  440   1HH1  ARG  55          HH11      ARG  55 -32.543   7.586   7.586
  441   2HH1  ARG  55          HH12      ARG  55 -33.705   7.926   7.926
  442   1HH2  ARG  55          HH21      ARG  55 -32.344   5.667   5.667
  443   2HH2  ARG  55          HH22      ARG  55 -33.593   6.836   6.836
  444    H    ARG  56           HN       ARG  56 -27.407   3.442   3.442
  445    HA   ARG  56           HA       ARG  56 -29.771   2.546   2.546
  446   1HB   ARG  56           HB2      ARG  56 -29.705   4.237   4.237
  447   2HB   ARG  56           HB1      ARG  56 -29.616   5.094   5.094
  448   1HG   ARG  56           HG2      ARG  56 -26.939   4.642   4.642
  449   2HG   ARG  56           HG1      ARG  56 -27.585   4.829   4.829
  450   1HD   ARG  56           HD2      ARG  56 -28.310   6.716   6.716
  451   2HD   ARG  56           HD1      ARG  56 -26.784   6.910   6.910
  452    HE   ARG  56           HE       ARG  56 -29.576   7.177   7.177
  453   1HH1  ARG  56          HH21      ARG  56 -28.926   5.940   5.940
  454   2HH1  ARG  56          HH22      ARG  56 -27.835   6.943   6.943
  455   1HH2  ARG  56          HH11      ARG  56 -26.978   8.910   8.910
  456   2HH2  ARG  56          HH12      ARG  56 -26.727   8.628   8.628
  457    H    ARG  57           HN       ARG  57 -27.391   1.242   1.242
  458    HA   ARG  57           HA       ARG  57 -25.248   1.063   1.063
  459   1HB   ARG  57           HB2      ARG  57 -25.527   0.083   0.083
  460   2HB   ARG  57           HB1      ARG  57 -26.480  -1.231  -1.231
  461   1HG   ARG  57           HG2      ARG  57 -24.432  -2.222  -2.222
  462   2HG   ARG  57           HG1      ARG  57 -24.352  -1.344  -1.344
  463   1HD   ARG  57           HD2      ARG  57 -23.235   0.501   0.501
  464   2HD   ARG  57           HD1      ARG  57 -23.282  -0.311  -0.311
  465    HE   ARG  57           HE       ARG  57 -21.963  -1.605  -1.605
  466   1HH1  ARG  57          HH21      ARG  57 -21.560  -3.534  -3.534
  467   2HH1  ARG  57          HH22      ARG  57 -20.261  -3.046  -3.046
  468   1HH2  ARG  57          HH11      ARG  57 -20.452   0.307   0.307
  469   2HH2  ARG  57          HH12      ARG  57 -19.632  -0.865  -0.865
  470    HA   PRO  58           HA       PRO  58 -27.622  -2.200  -2.200
  471   1HB   PRO  58           HB2      PRO  58 -30.227  -2.796  -2.796
  472   2HB   PRO  58           HB1      PRO  58 -28.843  -3.555  -3.555
  473   1HG   PRO  58           HG2      PRO  58 -30.682  -1.484  -1.484
  474   2HG   PRO  58           HG1      PRO  58 -29.767  -2.711  -2.711
  475   1HD   PRO  58           HD2      PRO  58 -29.171   0.021   0.021
  476   2HD   PRO  58           HD1      PRO  58 -28.162  -1.223  -1.223
  477    H    SER  59           HN       SER  59 -28.445   0.949   0.949
  478    HA   SER  59           HA       SER  59 -30.419   0.932   0.932
  479   1HB   SER  59           HB2      SER  59 -29.972   2.752   2.752
  480   2HB   SER  59           HB1      SER  59 -30.994   3.226   3.226
  481    HG   SER  59           HG       SER  59 -31.463   1.418   1.418
  482    H    GLN  60           HN       GLN  60 -29.715   1.833   1.833
  483    HA   GLN  60           HA       GLN  60 -27.493   3.829   3.829
  484   1HB   GLN  60           HB2      GLN  60 -27.790   1.330   1.330
  485   2HB   GLN  60           HB1      GLN  60 -26.698   2.698   2.698
  486   1HG   GLN  60           HG2      GLN  60 -25.285   2.275   2.275
  487   2HG   GLN  60           HG1      GLN  60 -26.469   1.625   1.625
  488   1HE2  GLN  60          HE22      GLN  60 -25.896  -1.738  -1.738
  489   2HE2  GLN  60          HE21      GLN  60 -26.701  -0.675  -0.675
  490    H    GLY  61           HN       GLY  61 -29.056   2.392   2.392
  491   1HA   GLY  61           HA2      GLY  61 -30.792   3.282   3.282
  492   2HA   GLY  61           HA1      GLY  61 -30.740   4.783   4.783
  493    H    GLY  62           HN       GLY  62 -28.291   2.889   2.889
  494   1HA   GLY  62           HA2      GLY  62 -26.652   3.618   3.618
  495   2HA   GLY  62           HA1      GLY  62 -27.825   4.843   4.843
  496    H    GLN  63           HN       GLN  63 -26.813   4.554   4.554
  497    HA   GLN  63           HA       GLN  63 -25.981   7.321   7.321
  498   1HB   GLN  63           HB2      GLN  63 -27.196   6.103   6.103
  499   2HB   GLN  63           HB1      GLN  63 -25.695   5.141   5.141
  500   1HG   GLN  63           HG2      GLN  63 -25.145   6.442   6.442
  501   2HG   GLN  63           HG1      GLN  63 -24.539   7.479   7.479
  502   1HE2  GLN  63          HE22      GLN  63 -27.423   9.754   9.754
  503   2HE2  GLN  63          HE21      GLN  63 -26.489   8.950   8.950
  504    H    THR  64           HN       THR  64 -24.339   4.183   4.183
  505    HA   THR  64           HA       THR  64 -22.060   3.640   3.640
  506    HB   THR  64           HB       THR  64 -21.708   6.574   6.574
  507    HG1  THR  64           HG1      THR  64 -22.865   6.251   6.251
  508   1HG2  THR  64          HG23      THR  64 -19.725   4.976   4.976
  509   2HG2  THR  64          HG22      THR  64 -20.232   4.234   4.234
  510   3HG2  THR  64          HG21      THR  64 -19.744   5.928   5.928
  511    H    HIS  65           HN       HIS  65 -22.707   3.662   3.662
  512    HA   HIS  65           HA       HIS  65 -21.646   5.699   5.699
  513   1HB   HIS  65           HB2      HIS  65 -22.920   3.069   3.069
  514   2HB   HIS  65           HB1      HIS  65 -21.840   3.378   3.378
  515    HD1  HIS  65           HD1      HIS  65 -25.139   3.148   3.148
  516    HD2  HIS  65           HD2      HIS  65 -22.949   6.627   6.627
  517    HE1  HIS  65           HE1      HIS  65 -26.790   4.897   4.897
  518    H    GLN  66           HN       GLN  66 -20.040   4.642   4.642
  519    HA   GLN  66           HA       GLN  66 -17.740   3.384   3.384
  520   1HB   GLN  66           HB2      GLN  66 -16.286   5.091   5.091
  521   2HB   GLN  66           HB1      GLN  66 -17.395   5.699   5.699
  522   1HG   GLN  66           HG2      GLN  66 -18.949   5.894   5.894
  523   2HG   GLN  66           HG1      GLN  66 -17.347   6.529   6.529
  524   1HE2  GLN  66          HE22      GLN  66 -19.912   8.233   8.233
  525   2HE2  GLN  66          HE21      GLN  66 -20.178   6.644   6.644
  526    H    ASP  67           HN       ASP  67 -18.733   4.420   4.420
  527    HA   ASP  67           HA       ASP  67 -17.214   2.256   2.256
  528   1HB   ASP  67           HB2      ASP  67 -17.415   4.480   4.480
  529   2HB   ASP  67           HB1      ASP  67 -19.178   4.298   4.298
  530    HA   PRO  68           HA       PRO  68 -21.640   0.703   0.703
  531   1HB   PRO  68           HB2      PRO  68 -23.695   1.500   1.500
  532   2HB   PRO  68           HB1      PRO  68 -23.212   2.353   2.353
  533   1HG   PRO  68           HG2      PRO  68 -22.696   2.988   2.988
  534   2HG   PRO  68           HG1      PRO  68 -22.936   4.099   4.099
  535   1HD   PRO  68           HD2      PRO  68 -20.494   3.456   3.456
  536   2HD   PRO  68           HD1      PRO  68 -20.710   4.185   4.185
  537    H    ILE  69           HN       ILE  69 -20.846   1.114   1.114
  538    HA   ILE  69           HA       ILE  69 -21.458  -1.800  -1.800
  539    HB   ILE  69           HB       ILE  69 -22.884  -1.446  -1.446
  540   1HG1  ILE  69          HG12      ILE  69 -21.582  -0.357  -0.357
  541   2HG1  ILE  69          HG11      ILE  69 -22.869   0.788   0.788
  542   1HG2  ILE  69          HG22      ILE  69 -23.750  -0.223  -0.223
  543   2HG2  ILE  69          HG21      ILE  69 -23.101   1.268   1.268
  544   3HG2  ILE  69          HG23      ILE  69 -24.376   0.392   0.392
  545   1HD1  ILE  69          HD11      ILE  69 -21.312   1.804   1.804
  546   2HD1  ILE  69          HD13      ILE  69 -20.024   1.002   1.002
  547   3HD1  ILE  69          HD12      ILE  69 -21.064   2.174   2.174
  548    HA   PRO  70           HA       PRO  70 -17.302  -0.345  -0.345
  549   1HB   PRO  70           HB2      PRO  70 -15.686  -1.582  -1.582
  550   2HB   PRO  70           HB1      PRO  70 -16.121   0.150   0.150
  551   1HG   PRO  70           HG2      PRO  70 -17.250  -2.276  -2.276
  552   2HG   PRO  70           HG1      PRO  70 -16.928  -0.665  -0.665
  553   1HD   PRO  70           HD2      PRO  70 -19.408  -1.433  -1.433
  554   2HD   PRO  70           HD1      PRO  70 -18.856   0.251   0.251
  555    H    LYS  71           HN       LYS  71 -18.848  -3.186  -3.186
  556    HA   LYS  71           HA       LYS  71 -17.057  -5.223  -5.223
  557   1HB   LYS  71           HB2      LYS  71 -19.182  -6.600  -6.600
  558   2HB   LYS  71           HB1      LYS  71 -18.790  -5.712  -5.712
  559   1HG   LYS  71           HG2      LYS  71 -20.438  -3.929  -3.929
  560   2HG   LYS  71           HG1      LYS  71 -21.130  -5.538  -5.538
  561   1HD   LYS  71           HD2      LYS  71 -22.084  -4.382  -4.382
  562   2HD   LYS  71           HD1      LYS  71 -21.266  -5.837  -5.837
  563   1HE   LYS  71           HE2      LYS  71 -19.312  -4.400  -4.400
  564   2HE   LYS  71           HE1      LYS  71 -20.151  -2.980  -2.980
  565   1HZ   LYS  71           HZ1      LYS  71 -21.225  -4.827  -4.827
  566   2HZ   LYS  71           HZ3      LYS  71 -20.574  -3.290  -3.290
  567   3HZ   LYS  71           HZ2      LYS  71 -22.006  -3.442  -3.442
  568    H    GLN  72           HN       GLN  72 -19.772  -3.484  -3.484
  569    HA   GLN  72           HA       GLN  72 -18.697  -4.081  -4.081
  570   1HB   GLN  72           HB2      GLN  72 -21.258  -5.006  -5.006
  571   2HB   GLN  72           HB1      GLN  72 -19.855  -6.041  -6.041
  572   1HG   GLN  72           HG2      GLN  72 -21.379  -6.816  -6.816
  573   2HG   GLN  72           HG1      GLN  72 -20.496  -5.783  -5.783
  574   1HE2  GLN  72          HE22      GLN  72 -23.379  -3.439  -3.439
  575   2HE2  GLN  72          HE21      GLN  72 -21.685  -3.435  -3.435
  576    HA   PRO  73           HA       PRO  73 -20.804  -0.333  -0.333
  577   1HB   PRO  73           HB2      PRO  73 -21.860  -0.779  -0.779
  578   2HB   PRO  73           HB1      PRO  73 -20.117  -0.486  -0.486
  579   1HG   PRO  73           HG2      PRO  73 -21.538  -3.121  -3.121
  580   2HG   PRO  73           HG1      PRO  73 -20.038  -2.586  -2.586
  581   1HD   PRO  73           HD2      PRO  73 -20.046  -4.197  -4.197
  582   2HD   PRO  73           HD1      PRO  73 -18.812  -2.926  -2.926
  583    H    SER  74           HN       SER  74 -22.730  -3.180  -3.180
  584    HA   SER  74           HA       SER  74 -25.019  -3.684  -3.684
  585   1HB   SER  74           HB2      SER  74 -23.663  -3.430  -3.430
  586   2HB   SER  74           HB1      SER  74 -24.848  -2.268  -2.268
  587    HG   SER  74           HG       SER  74 -25.753  -4.156  -4.156
  588    H    SER  75           HN       SER  75 -24.717  -1.314  -1.314
  589    HA   SER  75           HA       SER  75 -27.258  -0.116  -0.116
  590   1HB   SER  75           HB2      SER  75 -25.506   0.789   0.789
  591   2HB   SER  75           HB1      SER  75 -25.952   2.133   2.133
  592    HG   SER  75           HG       SER  75 -27.571   0.497   0.497
  593    H    GLN  76           HN       GLN  76 -23.783   0.491   0.491
  594    HA   GLN  76           HA       GLN  76 -24.138   2.558   2.558
  595   1HB   GLN  76           HB2      GLN  76 -21.783   0.887   0.887
  596   2HB   GLN  76           HB1      GLN  76 -21.669   2.156   2.156
  597   1HG   GLN  76           HG2      GLN  76 -21.274   3.505   3.505
  598   2HG   GLN  76           HG1      GLN  76 -23.030   3.501   3.501
  599   1HE2  GLN  76          HE22      GLN  76 -23.054   1.646   1.646
  600   2HE2  GLN  76          HE21      GLN  76 -23.983   2.382   2.382
  601    HA   PRO  77           HA       PRO  77 -22.914  -1.008  -1.008
  602   1HB   PRO  77           HB2      PRO  77 -23.111  -3.596  -3.596
  603   2HB   PRO  77           HB1      PRO  77 -21.606  -2.647  -2.647
  604   1HG   PRO  77           HG2      PRO  77 -23.702  -3.191  -3.191
  605   2HG   PRO  77           HG1      PRO  77 -21.945  -3.115  -3.115
  606   1HD   PRO  77           HD2      PRO  77 -23.617  -1.165  -1.165
  607   2HD   PRO  77           HD1      PRO  77 -21.931  -0.858  -0.858
  608    H    ARG  78           HN       ARG  78 -25.580  -1.080  -1.080
  609    HA   ARG  78           HA       ARG  78 -27.342  -2.087  -2.087
  610   1HB   ARG  78           HB2      ARG  78 -28.359  -3.676  -3.676
  611   2HB   ARG  78           HB1      ARG  78 -26.559  -3.788  -3.788
  612   1HG   ARG  78           HG2      ARG  78 -26.496  -2.293  -2.293
  613   2HG   ARG  78           HG1      ARG  78 -28.249  -2.337  -2.337
  614   1HD   ARG  78           HD2      ARG  78 -26.709  -4.930  -4.930
  615   2HD   ARG  78           HD1      ARG  78 -26.819  -4.029  -4.029
  616    HE   ARG  78           HE       ARG  78 -29.404  -3.974  -3.974
  617   1HH1  ARG  78          HH21      ARG  78 -29.729  -5.949  -5.949
  618   2HH1  ARG  78          HH22      ARG  78 -29.745  -7.462  -7.462
  619   1HH2  ARG  78          HH11      ARG  78 -28.290  -6.178  -6.178
  620   2HH2  ARG  78          HH12      ARG  78 -28.929  -7.592  -7.592
  621    H    GLY  79           HN       GLY  79 -26.916   0.670   0.670
  622   1HA   GLY  79           HA2      GLY  79 -29.728   1.337   1.337
  623   2HA   GLY  79           HA1      GLY  79 -28.665   1.670   1.670
  624    H    ASP  80           HN       ASP  80 -27.657   3.628   3.628
  625    HA   ASP  80           HA       ASP  80 -28.100   5.496   5.496
  626   1HB   ASP  80           HB2      ASP  80 -28.084   6.122   6.122
  627   2HB   ASP  80           HB1      ASP  80 -26.378   5.633   5.633
  628    HA   PRO  81           HA       PRO  81 -24.411   4.433   4.433
  629   1HB   PRO  81           HB2      PRO  81 -24.369   6.594   6.594
  630   2HB   PRO  81           HB1      PRO  81 -25.489   5.235   5.235
  631   1HG   PRO  81           HG2      PRO  81 -25.965   7.918   7.918
  632   2HG   PRO  81           HG1      PRO  81 -27.002   6.960   6.960
  633   1HD   PRO  81           HD2      PRO  81 -27.364   7.110   7.110
  634   2HD   PRO  81           HD1      PRO  81 -27.824   5.691   5.691
  635    H    THR  82           HN       THR  82 -23.025   4.792   4.792
  636    HA   THR  82           HA       THR  82 -22.134   7.403   7.403
  637    HB   THR  82           HB       THR  82 -20.220   5.872   5.872
  638    HG1  THR  82           HG1      THR  82 -20.304   3.997   3.997
  639   1HG2  THR  82          HG23      THR  82 -22.565   6.680   6.680
  640   2HG2  THR  82          HG22      THR  82 -22.910   4.953   4.953
  641   3HG2  THR  82          HG21      THR  82 -21.540   5.534   5.534
  642    H    GLY  83           HN       GLY  83 -20.455   4.877   4.877
  643   1HA   GLY  83           HA2      GLY  83 -19.368   6.675   6.675
  644   2HA   GLY  83           HA1      GLY  83 -18.256   6.526   6.526
  645    HA   PRO  84           HA       PRO  84 -17.226   2.659   2.659
  646   1HB   PRO  84           HB2      PRO  84 -14.940   2.258   2.258
  647   2HB   PRO  84           HB1      PRO  84 -15.064   3.483   3.483
  648   1HG   PRO  84           HG2      PRO  84 -14.844   3.875   3.875
  649   2HG   PRO  84           HG1      PRO  84 -14.850   5.140   5.140
  650   1HD   PRO  84           HD2      PRO  84 -17.036   4.093   4.093
  651   2HD   PRO  84           HD1      PRO  84 -16.917   5.702   5.702
  652    H    LYS  85           HN       LYS  85 -18.704   2.816   2.816
  653    HA   LYS  85           HA       LYS  85 -17.903   0.178   0.178
  654   1HB   LYS  85           HB2      LYS  85 -20.087   2.118   2.118
  655   2HB   LYS  85           HB1      LYS  85 -19.486   0.773   0.773
  656   1HG   LYS  85           HG2      LYS  85 -17.861   3.194   3.194
  657   2HG   LYS  85           HG1      LYS  85 -18.467   2.885   2.885
  658   1HD   LYS  85           HD2      LYS  85 -16.535   1.085   1.085
  659   2HD   LYS  85           HD1      LYS  85 -16.076   2.261   2.261
  660   1HE   LYS  85           HE2      LYS  85 -17.379   1.090   1.090
  661   2HE   LYS  85           HE1      LYS  85 -17.981  -0.059  -0.059
  662   1HZ   LYS  85           HZ2      LYS  85 -15.699  -0.673  -0.673
  663   2HZ   LYS  85           HZ1      LYS  85 -15.119   0.398   0.398
  664   3HZ   LYS  85           HZ3      LYS  85 -16.032  -0.956  -0.956
  665    H    GLU  86           HN       GLU  86 -19.840   1.101   1.101
  666    HA   GLU  86           HA       GLU  86 -22.207  -0.519  -0.519
  667   1HB   GLU  86           HB2      GLU  86 -20.948   0.717   0.717
  668   2HB   GLU  86           HB1      GLU  86 -22.590   0.022   0.022
  669   1HG   GLU  86           HG2      GLU  86 -23.087   1.638   1.638
  670   2HG   GLU  86           HG1      GLU  86 -21.470   2.353   2.353

  Start of MODEL    2
    1   1H    LEU   1           HT2      LEU   1 -22.010  21.188  21.188
    2   2H    LEU   1           HT1      LEU   1 -20.851  21.683  21.683
    3   3H    LEU   1           HT3      LEU   1 -22.498  21.720  21.720
    4    HA   LEU   1           HA       LEU   1 -21.629  19.809  19.809
    5   1HB   LEU   1           HB2      LEU   1 -20.195  18.262  18.262
    6   2HB   LEU   1           HB1      LEU   1 -19.555  19.903  19.903
    7    HG   LEU   1           HG       LEU   1 -21.421  19.446  19.446
    8   1HD1  LEU   1          HD11      LEU   1 -20.957  17.025  17.025
    9   2HD1  LEU   1          HD13      LEU   1 -19.279  17.324  17.324
   10   3HD1  LEU   1          HD12      LEU   1 -20.559  17.524  17.524
   11   1HD2  LEU   1          HD23      LEU   1 -19.065  20.744  20.744
   12   2HD2  LEU   1          HD22      LEU   1 -19.800  20.398  20.398
   13   3HD2  LEU   1          HD21      LEU   1 -18.541  19.339  19.339
   14    H    ASP   2           HN       ASP   2 -22.366  17.471  17.471
   15    HA   ASP   2           HA       ASP   2 -24.197  16.041  16.041
   16   1HB   ASP   2           HB2      ASP   2 -22.805  16.318  16.318
   17   2HB   ASP   2           HB1      ASP   2 -24.254  17.205  17.205
   18    HA   PRO   3           HA       PRO   3 -27.332  19.473  19.473
   19   1HB   PRO   3           HB2      PRO   3 -27.692  19.826  19.826
   20   2HB   PRO   3           HB1      PRO   3 -26.467  20.694  20.694
   21   1HG   PRO   3           HG2      PRO   3 -26.121  18.472  18.472
   22   2HG   PRO   3           HG1      PRO   3 -24.989  19.727  19.727
   23   1HD   PRO   3           HD2      PRO   3 -25.214  17.016  17.016
   24   2HD   PRO   3           HD1      PRO   3 -24.005  18.215  18.215
   25    H    VAL   4           HN       VAL   4 -27.875  17.802  17.802
   26    HA   VAL   4           HA       VAL   4 -30.382  16.602  16.602
   27    HB   VAL   4           HB       VAL   4 -28.580  16.561  16.561
   28   1HG1  VAL   4          HG13      VAL   4 -31.033  14.820  14.820
   29   2HG1  VAL   4          HG12      VAL   4 -30.335  15.229  15.229
   30   3HG1  VAL   4          HG11      VAL   4 -29.400  14.293  14.293
   31   1HG2  VAL   4          HG22      VAL   4 -31.323  17.577  17.577
   32   2HG2  VAL   4          HG21      VAL   4 -29.962  18.451  18.451
   33   3HG2  VAL   4          HG23      VAL   4 -30.885  17.320  17.320
   34    H    ASP   5           HN       ASP   5 -27.231  15.388  15.388
   35    HA   ASP   5           HA       ASP   5 -27.074  13.377  13.377
   36   1HB   ASP   5           HB2      ASP   5 -27.948  12.757  12.757
   37   2HB   ASP   5           HB1      ASP   5 -26.686  11.681  11.681
   38    HA   PRO   6           HA       PRO   6 -22.986  13.952  13.952
   39   1HB   PRO   6           HB2      PRO   6 -22.763  13.841  13.841
   40   2HB   PRO   6           HB1      PRO   6 -22.930  12.386  12.386
   41   1HG   PRO   6           HG2      PRO   6 -24.859  13.576  13.576
   42   2HG   PRO   6           HG1      PRO   6 -24.865  11.965  11.965
   43   1HD   PRO   6           HD2      PRO   6 -26.265  14.382  14.382
   44   2HD   PRO   6           HD1      PRO   6 -26.518  12.665  12.665
   45    H    ASN   7           HN       ASN   7 -21.817  15.629  15.629
   46    HA   ASN   7           HA       ASN   7 -22.983  18.218  18.218
   47   1HB   ASN   7           HB2      ASN   7 -20.700  17.309  17.309
   48   2HB   ASN   7           HB1      ASN   7 -21.080  19.016  19.016
   49   1HD2  ASN   7          HD22      ASN   7 -18.867  17.077  17.077
   50   2HD2  ASN   7          HD21      ASN   7 -19.121  16.534  16.534
   51    H    ILE   8           HN       ILE   8 -22.515  16.488  16.488
   52    HA   ILE   8           HA       ILE   8 -24.885  17.971  17.971
   53    HB   ILE   8           HB       ILE   8 -23.709  18.540  18.540
   54   1HG1  ILE   8          HG12      ILE   8 -22.509  16.320  16.320
   55   2HG1  ILE   8          HG11      ILE   8 -21.522  17.718  17.718
   56   1HG2  ILE   8          HG23      ILE   8 -21.946  18.953  18.953
   57   2HG2  ILE   8          HG22      ILE   8 -21.631  19.710  19.710
   58   3HG2  ILE   8          HG21      ILE   8 -23.119  20.072  20.072
   59   1HD1  ILE   8          HD13      ILE   8 -20.874  17.533  17.533
   60   2HD1  ILE   8          HD12      ILE   8 -21.380  15.860  15.860
   61   3HD1  ILE   8          HD11      ILE   8 -20.082  16.530  16.530
   62    H    GLU   9           HN       GLU   9 -24.060  15.047  15.047
   63    HA   GLU   9           HA       GLU   9 -24.518  12.841  12.841
   64   1HB   GLU   9           HB2      GLU   9 -26.614  14.572  14.572
   65   2HB   GLU   9           HB1      GLU   9 -26.588  12.809  12.809
   66   1HG   GLU   9           HG2      GLU   9 -26.963  12.456  12.456
   67   2HG   GLU   9           HG1      GLU   9 -26.498  14.119  14.119
   68    HA   PRO  10           HA       PRO  10 -22.487  13.327  13.327
   69   1HB   PRO  10           HB2      PRO  10 -19.878  13.076  13.076
   70   2HB   PRO  10           HB1      PRO  10 -20.944  14.539  14.539
   71   1HG   PRO  10           HG2      PRO  10 -20.029  12.740  12.740
   72   2HG   PRO  10           HG1      PRO  10 -20.089  14.529  14.529
   73   1HD   PRO  10           HD2      PRO  10 -21.875  12.462  12.462
   74   2HD   PRO  10           HD1      PRO  10 -22.213  14.209  14.209
   75    H    TRP  11           HN       TRP  11 -23.542  10.922  10.922
   76    HA   TRP  11           HA       TRP  11 -21.476   8.864   8.864
   77   1HB   TRP  11           HB2      TRP  11 -24.102   8.724   8.724
   78   2HB   TRP  11           HB1      TRP  11 -22.867   7.442   7.442
   79    HD1  TRP  11           HD1      TRP  11 -23.191  10.933  10.933
   80    HE1  TRP  11           HE1      TRP  11 -21.463  11.101  11.101
   81    HE3  TRP  11           HE3      TRP  11 -20.827   6.442   6.442
   82    HZ2  TRP  11           HZ2      TRP  11 -19.355   9.521   9.521
   83    HZ3  TRP  11           HZ3      TRP  11 -18.975   5.808   5.808
   84    HH2  TRP  11           HH2      TRP  11 -18.239   7.334   7.334
   85    H    ASN  12           HN       ASN  12 -22.704  10.168  10.168
   86    HA   ASN  12           HA       ASN  12 -24.263   7.960   7.960
   87   1HB   ASN  12           HB2      ASN  12 -25.790   9.952   9.952
   88   2HB   ASN  12           HB1      ASN  12 -26.045   9.229   9.229
   89   1HD2  ASN  12          HD22      ASN  12 -24.753  11.989  11.989
   90   2HD2  ASN  12          HD21      ASN  12 -24.948  10.315  10.315
   91    H    HIS  13           HN       HIS  13 -22.171   7.805   7.805
   92    HA   HIS  13           HA       HIS  13 -21.698  10.005  10.005
   93   1HB   HIS  13           HB2      HIS  13 -20.011   7.907   7.907
   94   2HB   HIS  13           HB1      HIS  13 -19.368   8.881   8.881
   95    HD1  HIS  13           HD1      HIS  13 -17.957   9.190   9.190
   96    HD2  HIS  13           HD2      HIS  13 -21.286  11.499  11.499
   97    HE1  HIS  13           HE1      HIS  13 -17.843  11.260  11.260
   98    HA   PRO  14           HA       PRO  14 -22.331   7.027   7.027
   99   1HB   PRO  14           HB2      PRO  14 -20.643   8.203   8.203
  100   2HB   PRO  14           HB1      PRO  14 -22.250   8.825   8.825
  101   1HG   PRO  14           HG2      PRO  14 -19.480   9.580   9.580
  102   2HG   PRO  14           HG1      PRO  14 -20.914  10.605  10.605
  103   1HD   PRO  14           HD2      PRO  14 -19.676   9.665   9.665
  104   2HD   PRO  14           HD1      PRO  14 -21.244  10.536  10.536
  105    H    GLY  15           HN       GLY  15 -19.220   7.606   7.606
  106   1HA   GLY  15           HA2      GLY  15 -17.391   6.285   6.285
  107   2HA   GLY  15           HA1      GLY  15 -18.255   4.902   4.902
  108    H    SER  16           HN       SER  16 -17.973   8.052   8.052
  109    HA   SER  16           HA       SER  16 -15.750   7.202   7.202
  110   1HB   SER  16           HB2      SER  16 -18.574   7.792   7.792
  111   2HB   SER  16           HB1      SER  16 -17.421   7.759   7.759
  112    HG   SER  16           HG       SER  16 -18.795   5.779   5.779
  113    H    GLN  17           HN       GLN  17 -17.110   9.652   9.652
  114    HA   GLN  17           HA       GLN  17 -15.801  11.736  11.736
  115   1HB   GLN  17           HB2      GLN  17 -18.655  11.751  11.751
  116   2HB   GLN  17           HB1      GLN  17 -17.713  13.188  13.188
  117   1HG   GLN  17           HG2      GLN  17 -18.183  12.868  12.868
  118   2HG   GLN  17           HG1      GLN  17 -17.476  11.265  11.265
  119   1HE2  GLN  17          HE22      GLN  17 -20.627   9.721   9.721
  120   2HE2  GLN  17          HE21      GLN  17 -18.942   9.627   9.627
  121    HA   PRO  18           HA       PRO  18 -15.918  13.475  13.475
  122   1HB   PRO  18           HB2      PRO  18 -17.144  11.992  11.992
  123   2HB   PRO  18           HB1      PRO  18 -17.984  13.225  13.225
  124   1HG   PRO  18           HG2      PRO  18 -17.887  10.254  10.254
  125   2HG   PRO  18           HG1      PRO  18 -19.285  11.349  11.349
  126   1HD   PRO  18           HD2      PRO  18 -18.095  10.351  10.351
  127   2HD   PRO  18           HD1      PRO  18 -18.785  12.010  12.010
  128    H    LYS  19           HN       LYS  19 -15.337  10.185  10.185
  129    HA   LYS  19           HA       LYS  19 -12.987  10.124  10.124
  130   1HB   LYS  19           HB2      LYS  19 -13.536   7.804   7.804
  131   2HB   LYS  19           HB1      LYS  19 -14.901   8.835   8.835
  132   1HG   LYS  19           HG2      LYS  19 -16.235   8.021   8.021
  133   2HG   LYS  19           HG1      LYS  19 -14.885   7.670   7.670
  134   1HD   LYS  19           HD2      LYS  19 -14.760   6.052   6.052
  135   2HD   LYS  19           HD1      LYS  19 -16.278   5.840   5.840
  136   1HE   LYS  19           HE2      LYS  19 -14.991   5.388   5.388
  137   2HE   LYS  19           HE1      LYS  19 -13.490   5.517   5.517
  138   1HZ   LYS  19           HZ3      LYS  19 -15.753   3.705   3.705
  139   2HZ   LYS  19           HZ2      LYS  19 -14.359   3.211   3.211
  140   3HZ   LYS  19           HZ1      LYS  19 -14.239   3.769   3.769
  141    H    THR  20           HN       THR  20 -13.641  10.468  10.468
  142    HA   THR  20           HA       THR  20 -11.436   8.731   8.731
  143    HB   THR  20           HB       THR  20 -14.333   8.541   8.541
  144    HG1  THR  20           HG1      THR  20 -14.047   6.802   6.802
  145   1HG2  THR  20          HG22      THR  20 -12.995   8.873   8.873
  146   2HG2  THR  20          HG21      THR  20 -11.968   7.520   7.520
  147   3HG2  THR  20          HG23      THR  20 -13.670   7.246   7.246
  148    H    ALA  21           HN       ALA  21 -13.879  11.218  11.218
  149    HA   ALA  21           HA       ALA  21 -12.572  12.025  12.025
  150   1HB   ALA  21           HB3      ALA  21 -14.650  13.300  13.300
  151   2HB   ALA  21           HB2      ALA  21 -14.198  13.941  13.941
  152   3HB   ALA  21           HB1      ALA  21 -14.940  12.346  12.346
  153    H    SER  22           HN       SER  22 -10.401  12.102  12.102
  154    HA   SER  22           HA       SER  22  -8.706  13.459  13.459
  155   1HB   SER  22           HB2      SER  22  -9.721  14.270  14.270
  156   2HB   SER  22           HB1      SER  22  -9.643  15.832  15.832
  157    HG   SER  22           HG       SER  22  -7.657  15.248  15.248
  158    H    ASN  23           HN       ASN  23 -11.089  13.359  13.359
  159    HA   ASN  23           HA       ASN  23 -11.858  16.018  16.018
  160   1HB   ASN  23           HB2      ASN  23 -13.266  14.740  14.740
  161   2HB   ASN  23           HB1      ASN  23 -13.185  13.837  13.837
  162   1HD2  ASN  23          HD22      ASN  23 -11.385  11.094  11.094
  163   2HD2  ASN  23          HD21      ASN  23 -11.884  11.860  11.860
  164    H    ARG  24           HN       ARG  24 -11.817  15.381  15.381
  165    HA   ARG  24           HA       ARG  24  -9.660  16.669  16.669
  166   1HB   ARG  24           HB2      ARG  24 -11.227  14.266  14.266
  167   2HB   ARG  24           HB1      ARG  24 -10.190  15.120  15.120
  168   1HG   ARG  24           HG2      ARG  24 -11.620  16.844  16.844
  169   2HG   ARG  24           HG1      ARG  24 -12.023  16.873  16.873
  170   1HD   ARG  24           HD2      ARG  24 -13.960  16.172  16.172
  171   2HD   ARG  24           HD1      ARG  24 -13.498  14.971  14.971
  172    HE   ARG  24           HE       ARG  24 -12.373  13.658  13.658
  173   1HH1  ARG  24          HH11      ARG  24 -12.771  16.631  16.631
  174   2HH1  ARG  24          HH12      ARG  24 -13.348  15.999  15.999
  175   1HH2  ARG  24          HH21      ARG  24 -13.664  12.744  12.744
  176   2HH2  ARG  24          HH22      ARG  24 -13.851  13.796  13.796
  177    H    ALA  25           HN       ALA  25  -9.729  13.100  13.100
  178    HA   ALA  25           HA       ALA  25  -8.030  11.486  11.486
  179   1HB   ALA  25           HB2      ALA  25  -7.823  13.170  13.170
  180   2HB   ALA  25           HB1      ALA  25  -6.244  13.427  13.427
  181   3HB   ALA  25           HB3      ALA  25  -6.730  11.808  11.808
  182    H    HIS  26           HN       HIS  26  -8.051  12.841  12.841
  183    HA   HIS  26           HA       HIS  26  -5.296  12.490  12.490
  184   1HB   HIS  26           HB2      HIS  26  -5.286  14.969  14.969
  185   2HB   HIS  26           HB1      HIS  26  -4.779  14.574  14.574
  186    HD1  HIS  26           HD1      HIS  26  -5.383  17.207  17.207
  187    HD2  HIS  26           HD2      HIS  26  -8.601  14.634  14.634
  188    HE1  HIS  26           HE1      HIS  26  -7.456  18.427  18.427
  189    H    ALA  27           HN       ALA  27  -8.281  14.190  14.190
  190    HA   ALA  27           HA       ALA  27  -7.873  13.038  13.038
  191   1HB   ALA  27           HB1      ALA  27  -9.731  15.114  15.114
  192   2HB   ALA  27           HB3      ALA  27  -9.786  14.625  14.625
  193   3HB   ALA  27           HB2      ALA  27  -8.341  15.406  15.406
  194    H    LYS  28           HN       LYS  28  -9.446  12.171  12.171
  195    HA   LYS  28           HA       LYS  28 -11.932  11.118  11.118
  196   1HB   LYS  28           HB2      LYS  28 -11.947  11.803  11.803
  197   2HB   LYS  28           HB1      LYS  28 -10.394  10.974  10.974
  198   1HG   LYS  28           HG2      LYS  28 -11.831   8.780   8.780
  199   2HG   LYS  28           HG1      LYS  28 -13.205   9.839   9.839
  200   1HD   LYS  28           HD2      LYS  28 -12.853   8.956   8.956
  201   2HD   LYS  28           HD1      LYS  28 -11.944  10.458  10.458
  202   1HE   LYS  28           HE2      LYS  28  -9.896   9.029   9.029
  203   2HE   LYS  28           HE1      LYS  28 -10.898   7.640   7.640
  204   1HZ   LYS  28           HZ2      LYS  28 -11.228   9.429   9.429
  205   2HZ   LYS  28           HZ1      LYS  28  -9.579   9.567   9.567
  206   3HZ   LYS  28           HZ3      LYS  28 -10.228   8.057   8.057
  207    H    LYS  29           HN       LYS  29  -8.721   9.858   9.858
  208    HA   LYS  29           HA       LYS  29  -9.499   7.230   7.230
  209   1HB   LYS  29           HB2      LYS  29  -8.258   6.171   6.171
  210   2HB   LYS  29           HB1      LYS  29  -8.938   7.521   7.521
  211   1HG   LYS  29           HG2      LYS  29  -6.147   7.510   7.510
  212   2HG   LYS  29           HG1      LYS  29  -6.509   7.149   7.149
  213   1HD   LYS  29           HD2      LYS  29  -7.667   9.484   9.484
  214   2HD   LYS  29           HD1      LYS  29  -6.816   9.739   9.739
  215   1HE   LYS  29           HE2      LYS  29  -5.158   8.711   8.711
  216   2HE   LYS  29           HE1      LYS  29  -5.698  10.404  10.404
  217   1HZ   LYS  29           HZ1      LYS  29  -4.925  10.721  10.721
  218   2HZ   LYS  29           HZ3      LYS  29  -4.369   9.119   9.119
  219   3HZ   LYS  29           HZ2      LYS  29  -3.653  10.227  10.227
  220    H    SER  30           HN       SER  30  -8.345   9.686   9.686
  221    HA   SER  30           HA       SER  30  -5.532   9.202   9.202
  222   1HB   SER  30           HB2      SER  30  -7.098  11.314  11.314
  223   2HB   SER  30           HB1      SER  30  -7.383  10.734  10.734
  224    HG   SER  30           HG       SER  30  -5.611  12.135  12.135
  225    H    ALA  31           HN       ALA  31  -6.797   6.726   6.726
  226    HA   ALA  31           HA       ALA  31  -7.261   5.074   5.074
  227   1HB   ALA  31           HB2      ALA  31  -4.776   5.447   5.447
  228   2HB   ALA  31           HB1      ALA  31  -4.851   6.486   6.486
  229   3HB   ALA  31           HB3      ALA  31  -5.250   4.774   4.774
  230    H    TYR  32           HN       TYR  32  -9.278   6.400   6.400
  231    HA   TYR  32           HA       TYR  32  -9.102   6.757   6.757
  232   1HB   TYR  32           HB2      TYR  32  -9.854   9.102   9.102
  233   2HB   TYR  32           HB1      TYR  32  -8.374   8.930   8.930
  234    HD1  TYR  32           HD1      TYR  32  -9.165   8.165   8.165
  235    HD2  TYR  32           HD2      TYR  32 -11.434  10.411  10.411
  236    HE1  TYR  32           HE1      TYR  32 -10.530   9.127   9.127
  237    HE2  TYR  32           HE2      TYR  32 -12.797  11.378  11.378
  238    HH   TYR  32           HH       TYR  32 -12.098  11.663  11.663
  239    H    HIS  33           HN       HIS  33 -10.418   4.839   4.839
  240    HA   HIS  33           HA       HIS  33 -12.486   3.744   3.744
  241   1HB   HIS  33           HB2      HIS  33 -13.349   6.046   6.046
  242   2HB   HIS  33           HB1      HIS  33 -14.258   4.584   4.584
  243    HD1  HIS  33           HD1      HIS  33 -13.561   2.380   2.380
  244    HD2  HIS  33           HD2      HIS  33 -11.063   5.553   5.553
  245    HE1  HIS  33           HE1      HIS  33 -12.084   1.546   1.546
  246    H    SER  34           HN       SER  34 -11.807   6.611   6.611
  247    HA   SER  34           HA       SER  34 -12.772   7.859   7.859
  248   1HB   SER  34           HB2      SER  34 -13.352   5.040   5.040
  249   2HB   SER  34           HB1      SER  34 -14.664   5.976   5.976
  250    HG   SER  34           HG       SER  34 -12.341   5.543   5.543
  251    H    GLN  35           HN       GLN  35 -13.857   9.212   9.212
  252    HA   GLN  35           HA       GLN  35 -16.768   8.775   8.775
  253   1HB   GLN  35           HB2      GLN  35 -14.789  10.844  10.844
  254   2HB   GLN  35           HB1      GLN  35 -16.493  10.737  10.737
  255   1HG   GLN  35           HG2      GLN  35 -14.218   8.807   8.807
  256   2HG   GLN  35           HG1      GLN  35 -15.311   9.592   9.592
  257   1HE2  GLN  35          HE22      GLN  35 -16.329   6.012   6.012
  258   2HE2  GLN  35          HE21      GLN  35 -14.783   6.695   6.695
  259    H    VAL  36           HN       VAL  36 -14.547  11.211  11.211
  260    HA   VAL  36           HA       VAL  36 -14.902  12.925  12.925
  261    HB   VAL  36           HB       VAL  36 -17.225  11.147  11.147
  262   1HG1  VAL  36          HG11      VAL  36 -15.841  13.430  13.430
  263   2HG1  VAL  36          HG13      VAL  36 -16.232  12.066  12.066
  264   3HG1  VAL  36          HG12      VAL  36 -17.510  12.885  12.885
  265   1HG2  VAL  36          HG21      VAL  36 -14.348  10.931  10.931
  266   2HG2  VAL  36          HG23      VAL  36 -15.223   9.752   9.752
  267   3HG2  VAL  36          HG22      VAL  36 -15.713  10.051  10.051
  268    H    ALA  37           HN       ALA  37 -15.669  13.997  13.997
  269    HA   ALA  37           HA       ALA  37 -17.124  15.525  15.525
  270   1HB   ALA  37           HB2      ALA  37 -17.042  16.015  16.015
  271   2HB   ALA  37           HB1      ALA  37 -18.777  15.824  15.824
  272   3HB   ALA  37           HB3      ALA  37 -17.878  17.042  17.042
  273    H    PHE  38           HN       PHE  38 -18.227  14.119  14.119
  274    HA   PHE  38           HA       PHE  38 -20.973  13.381  13.381
  275   1HB   PHE  38           HB2      PHE  38 -20.670  11.087  11.087
  276   2HB   PHE  38           HB1      PHE  38 -19.205  11.554  11.554
  277    HD1  PHE  38           HD1      PHE  38 -17.361  12.714  12.714
  278    HD2  PHE  38           HD2      PHE  38 -20.367   9.865   9.865
  279    HE1  PHE  38           HE1      PHE  38 -15.990  12.034  12.034
  280    HE2  PHE  38           HE2      PHE  38 -18.991   9.181   9.181
  281    HZ   PHE  38           HZ       PHE  38 -16.803  10.268  10.268
  282    H    ILE  39           HN       ILE  39 -21.215  12.011  12.011
  283    HA   ILE  39           HA       ILE  39 -22.425  14.215  14.215
  284    HB   ILE  39           HB       ILE  39 -22.497  12.674  12.674
  285   1HG1  ILE  39          HG12      ILE  39 -21.413  10.331  10.331
  286   2HG1  ILE  39          HG11      ILE  39 -20.166  11.549  11.549
  287   1HG2  ILE  39          HG23      ILE  39 -23.351  12.012  12.012
  288   2HG2  ILE  39          HG22      ILE  39 -23.386  10.669  10.669
  289   3HG2  ILE  39          HG21      ILE  39 -24.300  12.132  12.132
  290   1HD1  ILE  39          HD12      ILE  39 -21.642  11.518  11.518
  291   2HD1  ILE  39          HD11      ILE  39 -21.145   9.876   9.876
  292   3HD1  ILE  39          HD13      ILE  39 -19.938  11.154  11.154
  293    H    THR  40           HN       THR  40 -19.080  12.973  12.973
  294    HA   THR  40           HA       THR  40 -18.637  15.271  15.271
  295    HB   THR  40           HB       THR  40 -17.295  12.549  12.549
  296    HG1  THR  40           HG1      THR  40 -18.306  12.647  12.647
  297   1HG2  THR  40          HG23      THR  40 -16.395  15.019  15.019
  298   2HG2  THR  40          HG22      THR  40 -16.716  13.840  13.840
  299   3HG2  THR  40          HG21      THR  40 -15.588  13.451  13.451
  300    H    LYS  41           HN       LYS  41 -16.926  16.656  16.656
  301    HA   LYS  41           HA       LYS  41 -15.863  16.741  16.741
  302   1HB   LYS  41           HB2      LYS  41 -14.730  18.711  18.711
  303   2HB   LYS  41           HB1      LYS  41 -16.351  18.671  18.671
  304   1HG   LYS  41           HG2      LYS  41 -15.502  18.713  18.713
  305   2HG   LYS  41           HG1      LYS  41 -14.594  17.246  17.246
  306   1HD   LYS  41           HD2      LYS  41 -13.697  20.054  20.054
  307   2HD   LYS  41           HD1      LYS  41 -13.110  19.103  19.103
  308   1HE   LYS  41           HE2      LYS  41 -12.925  17.869  17.869
  309   2HE   LYS  41           HE1      LYS  41 -11.759  19.132  19.132
  310   1HZ   LYS  41           HZ3      LYS  41 -12.444  16.851  16.851
  311   2HZ   LYS  41           HZ2      LYS  41 -11.176  16.778  16.778
  312   3HZ   LYS  41           HZ1      LYS  41 -11.128  17.913  17.913
  313    H    GLY  42           HN       GLY  42 -14.778  15.166  15.166
  314   1HA   GLY  42           HA2      GLY  42 -11.941  15.055  15.055
  315   2HA   GLY  42           HA1      GLY  42 -12.889  13.900  13.900
  316    H    LEU  43           HN       LEU  43 -14.412  13.762  13.762
  317    HA   LEU  43           HA       LEU  43 -14.345  12.352  12.352
  318   1HB   LEU  43           HB2      LEU  43 -11.315  12.308  12.308
  319   2HB   LEU  43           HB1      LEU  43 -12.256  12.050  12.050
  320    HG   LEU  43           HG       LEU  43 -12.199  14.674  14.674
  321   1HD1  LEU  43          HD11      LEU  43 -10.415  13.338  13.338
  322   2HD1  LEU  43          HD13      LEU  43 -11.084  14.788  14.788
  323   3HD1  LEU  43          HD12      LEU  43 -10.253  14.902  14.902
  324   1HD2  LEU  43          HD22      LEU  43 -14.343  14.093  14.093
  325   2HD2  LEU  43          HD21      LEU  43 -13.484  15.458  15.458
  326   3HD2  LEU  43          HD23      LEU  43 -13.404  13.866  13.866
  327    H    GLY  44           HN       GLY  44 -14.781  11.198  11.198
  328   1HA   GLY  44           HA2      GLY  44 -14.845   9.050   9.050
  329   2HA   GLY  44           HA1      GLY  44 -14.653   8.442   8.442
  330    H    ILE  45           HN       ILE  45 -12.217  10.495  10.495
  331    HA   ILE  45           HA       ILE  45 -10.171   8.493   8.493
  332    HB   ILE  45           HB       ILE  45  -8.784  10.203  10.203
  333   1HG1  ILE  45          HG12      ILE  45 -10.304  12.460  12.460
  334   2HG1  ILE  45          HG11      ILE  45 -11.494  11.293  11.293
  335   1HG2  ILE  45          HG23      ILE  45 -10.412  10.867  10.867
  336   2HG2  ILE  45          HG22      ILE  45  -9.207  11.996  11.996
  337   3HG2  ILE  45          HG21      ILE  45  -8.719  10.383  10.383
  338   1HD1  ILE  45          HD12      ILE  45  -9.006  10.865  10.865
  339   2HD1  ILE  45          HD11      ILE  45  -9.242  12.611  12.611
  340   3HD1  ILE  45          HD13      ILE  45 -10.465  11.584  11.584
  341    H    SER  46           HN       SER  46 -11.593   9.832   9.832
  342    HA   SER  46           HA       SER  46 -11.601   7.267   7.267
  343   1HB   SER  46           HB2      SER  46  -9.678   7.650   7.650
  344   2HB   SER  46           HB1      SER  46  -9.124   7.588   7.588
  345    HG   SER  46           HG       SER  46  -8.213   9.367   9.367
  346    H    TYR  47           HN       TYR  47 -13.188   9.917   9.917
  347    HA   TYR  47           HA       TYR  47 -13.118  11.001  11.001
  348   1HB   TYR  47           HB2      TYR  47 -14.992  12.374  12.374
  349   2HB   TYR  47           HB1      TYR  47 -13.732  12.286  12.286
  350    HD1  TYR  47           HD1      TYR  47 -16.986  10.761  10.761
  351    HD2  TYR  47           HD2      TYR  47 -14.123  11.441  11.441
  352    HE1  TYR  47           HE1      TYR  47 -18.577   9.846   9.846
  353    HE2  TYR  47           HE2      TYR  47 -15.700  10.525  10.525
  354    HH   TYR  47           HH       TYR  47 -18.863   9.212   9.212
  355    H    GLY  48           HN       GLY  48 -14.879   8.447   8.447
  356   1HA   GLY  48           HA2      GLY  48 -15.796   6.696   6.696
  357   2HA   GLY  48           HA1      GLY  48 -16.555   8.014   8.014
  358    H    ARG  49           HN       ARG  49 -16.427   6.636   6.636
  359    HA   ARG  49           HA       ARG  49 -18.903   7.867   7.867
  360   1HB   ARG  49           HB2      ARG  49 -17.008   7.122   7.122
  361   2HB   ARG  49           HB1      ARG  49 -17.405   5.444   5.444
  362   1HG   ARG  49           HG2      ARG  49 -19.760   6.110   6.110
  363   2HG   ARG  49           HG1      ARG  49 -19.000   7.601   7.601
  364   1HD   ARG  49           HD2      ARG  49 -18.236   4.785   4.785
  365   2HD   ARG  49           HD1      ARG  49 -18.955   6.040   6.040
  366    HE   ARG  49           HE       ARG  49 -16.832   7.406   7.406
  367   1HH1  ARG  49          HH21      ARG  49 -14.827   6.310   6.310
  368   2HH1  ARG  49          HH22      ARG  49 -14.099   5.094   5.094
  369   1HH2  ARG  49          HH11      ARG  49 -16.839   4.818   4.818
  370   2HH2  ARG  49          HH12      ARG  49 -15.246   4.241   4.241
  371    H    LYS  50           HN       LYS  50 -20.893   6.598   6.598
  372    HA   LYS  50           HA       LYS  50 -21.340   4.355   4.355
  373   1HB   LYS  50           HB2      LYS  50 -23.675   5.257   5.257
  374   2HB   LYS  50           HB1      LYS  50 -22.453   6.376   6.376
  375   1HG   LYS  50           HG2      LYS  50 -23.003   6.596   6.596
  376   2HG   LYS  50           HG1      LYS  50 -24.402   6.949   6.949
  377   1HD   LYS  50           HD2      LYS  50 -21.635   8.220   8.220
  378   2HD   LYS  50           HD1      LYS  50 -23.052   8.955   8.955
  379   1HE   LYS  50           HE2      LYS  50 -24.102   8.359   8.359
  380   2HE   LYS  50           HE1      LYS  50 -22.384   8.491   8.491
  381   1HZ   LYS  50           HZ1      LYS  50 -22.304  10.601  10.601
  382   2HZ   LYS  50           HZ3      LYS  50 -23.973  10.496  10.496
  383   3HZ   LYS  50           HZ2      LYS  50 -23.397  10.671  10.671
  384    H    LYS  51           HN       LYS  51 -21.222   5.070   5.070
  385    HA   LYS  51           HA       LYS  51 -21.737   3.744   3.744
  386   1HB   LYS  51           HB2      LYS  51 -21.789   1.943   1.943
  387   2HB   LYS  51           HB1      LYS  51 -23.217   1.633   1.633
  388   1HG   LYS  51           HG2      LYS  51 -21.754   0.359   0.359
  389   2HG   LYS  51           HG1      LYS  51 -21.332   1.880   1.880
  390   1HD   LYS  51           HD2      LYS  51 -19.963   0.912   0.912
  391   2HD   LYS  51           HD1      LYS  51 -19.398   0.452   0.452
  392   1HE   LYS  51           HE2      LYS  51 -19.188   2.886   2.886
  393   2HE   LYS  51           HE1      LYS  51 -19.633   3.288   3.288
  394   1HZ   LYS  51           HZ1      LYS  51 -17.826   1.834   1.834
  395   2HZ   LYS  51           HZ3      LYS  51 -17.351   1.581   1.581
  396   3HZ   LYS  51           HZ2      LYS  51 -17.251   3.134   3.134
  397    H    ARG  52           HN       ARG  52 -24.430   3.666   3.666
  398    HA   ARG  52           HA       ARG  52 -26.511   3.565   3.565
  399   1HB   ARG  52           HB2      ARG  52 -26.708   4.630   4.630
  400   2HB   ARG  52           HB1      ARG  52 -27.971   3.855   3.855
  401   1HG   ARG  52           HG2      ARG  52 -25.597   2.651   2.651
  402   2HG   ARG  52           HG1      ARG  52 -27.283   2.133   2.133
  403   1HD   ARG  52           HD2      ARG  52 -25.346   1.745   1.745
  404   2HD   ARG  52           HD1      ARG  52 -26.006   0.511   0.511
  405    HE   ARG  52           HE       ARG  52 -27.461   1.803   1.803
  406   1HH1  ARG  52          HH21      ARG  52 -29.481   2.549   2.549
  407   2HH1  ARG  52          HH22      ARG  52 -30.341   1.105   1.105
  408   1HH2  ARG  52          HH11      ARG  52 -27.802  -1.028  -1.028
  409   2HH2  ARG  52          HH12      ARG  52 -29.390  -0.922  -0.922
  410    H    ARG  53           HN       ARG  53 -24.426   6.097   6.097
  411    HA   ARG  53           HA       ARG  53 -26.051   8.415   8.415
  412   1HB   ARG  53           HB2      ARG  53 -23.954   9.531   9.531
  413   2HB   ARG  53           HB1      ARG  53 -23.651   8.272   8.272
  414   1HG   ARG  53           HG2      ARG  53 -21.997   7.664   7.664
  415   2HG   ARG  53           HG1      ARG  53 -23.295   6.749   6.749
  416   1HD   ARG  53           HD2      ARG  53 -23.650   8.500   8.500
  417   2HD   ARG  53           HD1      ARG  53 -22.474   9.561   9.561
  418    HE   ARG  53           HE       ARG  53 -20.856   7.542   7.542
  419   1HH1  ARG  53          HH11      ARG  53 -22.619   9.424   9.424
  420   2HH1  ARG  53          HH12      ARG  53 -22.224   8.482   8.482
  421   1HH2  ARG  53          HH21      ARG  53 -20.652   5.962   5.962
  422   2HH2  ARG  53          HH22      ARG  53 -21.098   6.526   6.526
  423    H    GLN  54           HN       GLN  54 -25.251   6.239   6.239
  424    HA   GLN  54           HA       GLN  54 -25.618   8.059   8.059
  425   1HB   GLN  54           HB2      GLN  54 -26.028   5.047   5.047
  426   2HB   GLN  54           HB1      GLN  54 -25.833   5.976   5.976
  427   1HG   GLN  54           HG2      GLN  54 -23.627   6.580   6.580
  428   2HG   GLN  54           HG1      GLN  54 -23.689   6.015   6.015
  429   1HE2  GLN  54          HE22      GLN  54 -23.483   2.522   2.522
  430   2HE2  GLN  54          HE21      GLN  54 -24.244   3.525   3.525
  431    H    ARG  55           HN       ARG  55 -27.820   5.969   5.969
  432    HA   ARG  55           HA       ARG  55 -30.176   5.866   5.866
  433   1HB   ARG  55           HB2      ARG  55 -29.710   8.704   8.704
  434   2HB   ARG  55           HB1      ARG  55 -31.272   8.066   8.066
  435   1HG   ARG  55           HG2      ARG  55 -29.907   7.361   7.361
  436   2HG   ARG  55           HG1      ARG  55 -28.949   8.750   8.750
  437   1HD   ARG  55           HD2      ARG  55 -31.067  10.106  10.106
  438   2HD   ARG  55           HD1      ARG  55 -31.941   8.707   8.707
  439    HE   ARG  55           HE       ARG  55 -30.111   8.841   8.841
  440   1HH1  ARG  55          HH21      ARG  55 -28.724  11.242  11.242
  441   2HH1  ARG  55          HH22      ARG  55 -29.707  12.487  12.487
  442   1HH2  ARG  55          HH11      ARG  55 -32.589  10.550  10.550
  443   2HH2  ARG  55          HH12      ARG  55 -31.899  12.094  12.094
  444    H    ARG  56           HN       ARG  56 -28.658   5.080   5.080
  445    HA   ARG  56           HA       ARG  56 -31.008   4.624   4.624
  446   1HB   ARG  56           HB2      ARG  56 -30.262   5.936   5.936
  447   2HB   ARG  56           HB1      ARG  56 -30.223   6.991   6.991
  448   1HG   ARG  56           HG2      ARG  56 -27.713   5.905   5.905
  449   2HG   ARG  56           HG1      ARG  56 -27.994   5.903   5.903
  450   1HD   ARG  56           HD2      ARG  56 -28.881   8.382   8.382
  451   2HD   ARG  56           HD1      ARG  56 -27.158   8.028   8.028
  452    HE   ARG  56           HE       ARG  56 -27.682   7.489   7.489
  453   1HH1  ARG  56          HH11      ARG  56 -25.371   9.143   9.143
  454   2HH1  ARG  56          HH12      ARG  56 -25.823  10.723  10.723
  455   1HH2  ARG  56          HH21      ARG  56 -29.209   9.964   9.964
  456   2HH2  ARG  56          HH22      ARG  56 -28.003  11.190  11.190
  457    H    ARG  57           HN       ARG  57 -29.110   2.917   2.917
  458    HA   ARG  57           HA       ARG  57 -26.953   1.956   1.956
  459   1HB   ARG  57           HB2      ARG  57 -27.618   1.377   1.377
  460   2HB   ARG  57           HB1      ARG  57 -28.864   0.298   0.298
  461   1HG   ARG  57           HG2      ARG  57 -27.014  -1.091  -1.091
  462   2HG   ARG  57           HG1      ARG  57 -26.892  -0.758  -0.758
  463   1HD   ARG  57           HD2      ARG  57 -25.328   1.129   1.129
  464   2HD   ARG  57           HD1      ARG  57 -25.331   0.599   0.599
  465    HE   ARG  57           HE       ARG  57 -24.206  -0.887  -0.887
  466   1HH1  ARG  57          HH21      ARG  57 -25.289  -3.143  -3.143
  467   2HH1  ARG  57          HH22      ARG  57 -24.299  -3.526  -3.526
  468   1HH2  ARG  57          HH11      ARG  57 -22.843  -0.373  -0.373
  469   2HH2  ARG  57          HH12      ARG  57 -22.910  -1.953  -1.953
  470    HA   PRO  58           HA       PRO  58 -30.038  -1.066  -1.066
  471   1HB   PRO  58           HB2      PRO  58 -32.667  -0.283  -0.283
  472   2HB   PRO  58           HB1      PRO  58 -32.016  -1.314  -1.314
  473   1HG   PRO  58           HG2      PRO  58 -32.551   1.626   1.626
  474   2HG   PRO  58           HG1      PRO  58 -32.850   0.413   0.413
  475   1HD   PRO  58           HD2      PRO  58 -30.832   2.112   2.112
  476   2HD   PRO  58           HD1      PRO  58 -30.653   0.530   0.530
  477    H    SER  59           HN       SER  59 -30.188   2.428   2.428
  478    HA   SER  59           HA       SER  59 -31.119   2.479   2.479
  479   1HB   SER  59           HB2      SER  59 -29.868   4.558   4.558
  480   2HB   SER  59           HB1      SER  59 -30.572   4.903   4.903
  481    HG   SER  59           HG       SER  59 -32.484   4.785   4.785
  482    H    GLN  60           HN       GLN  60 -29.682   1.453   1.453
  483    HA   GLN  60           HA       GLN  60 -26.970   2.624   2.624
  484   1HB   GLN  60           HB2      GLN  60 -27.521  -0.363  -0.363
  485   2HB   GLN  60           HB1      GLN  60 -25.991   0.437   0.437
  486   1HG   GLN  60           HG2      GLN  60 -25.999   1.564   1.564
  487   2HG   GLN  60           HG1      GLN  60 -27.642   1.077   1.077
  488   1HE2  GLN  60          HE22      GLN  60 -26.507  -2.540  -2.540
  489   2HE2  GLN  60          HE21      GLN  60 -27.429  -1.725  -1.725
  490    H    GLY  61           HN       GLY  61 -29.570   2.576   2.576
  491   1HA   GLY  61           HA2      GLY  61 -28.991   0.960   0.960
  492   2HA   GLY  61           HA1      GLY  61 -30.301   2.138   2.138
  493    H    GLY  62           HN       GLY  62 -26.807   1.790   1.790
  494   1HA   GLY  62           HA2      GLY  62 -25.435   3.010   3.010
  495   2HA   GLY  62           HA1      GLY  62 -26.781   4.092   4.092
  496    H    GLN  63           HN       GLN  63 -26.046   3.385   3.385
  497    HA   GLN  63           HA       GLN  63 -25.540   6.173   6.173
  498   1HB   GLN  63           HB2      GLN  63 -25.513   3.554   3.554
  499   2HB   GLN  63           HB1      GLN  63 -25.133   5.042   5.042
  500   1HG   GLN  63           HG2      GLN  63 -27.627   4.390   4.390
  501   2HG   GLN  63           HG1      GLN  63 -27.522   4.364   4.364
  502   1HE2  GLN  63          HE22      GLN  63 -26.888   8.126   8.126
  503   2HE2  GLN  63          HE21      GLN  63 -25.829   6.826   6.826
  504    H    THR  64           HN       THR  64 -23.502   3.410   3.410
  505    HA   THR  64           HA       THR  64 -21.151   3.128   3.128
  506    HB   THR  64           HB       THR  64 -21.558   6.069   6.069
  507    HG1  THR  64           HG1      THR  64 -22.172   5.234   5.234
  508   1HG2  THR  64          HG21      THR  64 -19.085   4.470   4.470
  509   2HG2  THR  64          HG23      THR  64 -19.180   5.495   5.495
  510   3HG2  THR  64          HG22      THR  64 -19.327   6.208   6.208
  511    H    HIS  65           HN       HIS  65 -22.243   3.146   3.146
  512    HA   HIS  65           HA       HIS  65 -21.206   5.171   5.171
  513   1HB   HIS  65           HB2      HIS  65 -22.541   2.488   2.488
  514   2HB   HIS  65           HB1      HIS  65 -21.758   3.263   3.263
  515    HD1  HIS  65           HD1      HIS  65 -24.887   2.811   2.811
  516    HD2  HIS  65           HD2      HIS  65 -22.911   6.357   6.357
  517    HE1  HIS  65           HE1      HIS  65 -26.625   4.647   4.647
  518    H    GLN  66           HN       GLN  66 -19.755   4.517   4.517
  519    HA   GLN  66           HA       GLN  66 -17.431   2.929   2.929
  520   1HB   GLN  66           HB2      GLN  66 -17.764   5.247   5.247
  521   2HB   GLN  66           HB1      GLN  66 -16.145   4.535   4.535
  522   1HG   GLN  66           HG2      GLN  66 -16.036   5.969   5.969
  523   2HG   GLN  66           HG1      GLN  66 -17.311   4.998   4.998
  524   1HE2  GLN  66          HE22      GLN  66 -19.860   7.442   7.442
  525   2HE2  GLN  66          HE21      GLN  66 -19.490   5.895   5.895
  526    H    ASP  67           HN       ASP  67 -19.200   3.869   3.869
  527    HA   ASP  67           HA       ASP  67 -17.864   1.864   1.864
  528   1HB   ASP  67           HB2      ASP  67 -18.485   3.892   3.892
  529   2HB   ASP  67           HB1      ASP  67 -20.144   3.830   3.830
  530    HA   PRO  68           HA       PRO  68 -22.083  -0.321  -0.321
  531   1HB   PRO  68           HB2      PRO  68 -23.950   0.510   0.510
  532   2HB   PRO  68           HB1      PRO  68 -23.812   1.170   1.170
  533   1HG   PRO  68           HG2      PRO  68 -22.984   2.267   2.267
  534   2HG   PRO  68           HG1      PRO  68 -23.522   3.151   3.151
  535   1HD   PRO  68           HD2      PRO  68 -20.879   2.916   2.916
  536   2HD   PRO  68           HD1      PRO  68 -21.465   3.376   3.376
  537    H    ILE  69           HN       ILE  69 -20.893   0.742   0.742
  538    HA   ILE  69           HA       ILE  69 -21.102  -2.118  -2.118
  539    HB   ILE  69           HB       ILE  69 -22.076  -1.495  -1.495
  540   1HG1  ILE  69          HG12      ILE  69 -22.023   1.306   1.306
  541   2HG1  ILE  69          HG11      ILE  69 -20.301   0.771   0.771
  542   1HG2  ILE  69          HG23      ILE  69 -23.478  -0.887  -0.887
  543   2HG2  ILE  69          HG22      ILE  69 -23.036   0.790   0.790
  544   3HG2  ILE  69          HG21      ILE  69 -23.951  -0.130  -0.130
  545   1HD1  ILE  69          HD13      ILE  69 -20.875  -0.944  -0.944
  546   2HD1  ILE  69          HD12      ILE  69 -22.244   0.108   0.108
  547   3HD1  ILE  69          HD11      ILE  69 -20.597   0.729   0.729
  548    HA   PRO  70           HA       PRO  70 -16.787  -0.205  -0.205
  549   1HB   PRO  70           HB2      PRO  70 -15.461  -1.728  -1.728
  550   2HB   PRO  70           HB1      PRO  70 -16.034  -0.085  -0.085
  551   1HG   PRO  70           HG2      PRO  70 -17.235  -2.756  -2.756
  552   2HG   PRO  70           HG1      PRO  70 -17.156  -1.313  -1.313
  553   1HD   PRO  70           HD2      PRO  70 -19.404  -2.028  -2.028
  554   2HD   PRO  70           HD1      PRO  70 -19.000  -0.292  -0.292
  555    H    LYS  71           HN       LYS  71 -18.485  -3.126  -3.126
  556    HA   LYS  71           HA       LYS  71 -16.739  -5.197  -5.197
  557   1HB   LYS  71           HB2      LYS  71 -19.528  -4.356  -4.356
  558   2HB   LYS  71           HB1      LYS  71 -18.952  -5.849  -5.849
  559   1HG   LYS  71           HG2      LYS  71 -20.080  -6.250  -6.250
  560   2HG   LYS  71           HG1      LYS  71 -18.461  -6.774  -6.774
  561   1HD   LYS  71           HD2      LYS  71 -19.915  -4.075  -4.075
  562   2HD   LYS  71           HD1      LYS  71 -20.491  -5.460  -5.460
  563   1HE   LYS  71           HE2      LYS  71 -17.550  -4.731  -4.731
  564   2HE   LYS  71           HE1      LYS  71 -18.739  -4.037  -4.037
  565   1HZ   LYS  71           HZ1      LYS  71 -19.482  -6.268  -6.268
  566   2HZ   LYS  71           HZ3      LYS  71 -18.351  -6.949  -6.949
  567   3HZ   LYS  71           HZ2      LYS  71 -17.820  -6.116  -6.116
  568    H    GLN  72           HN       GLN  72 -18.448  -2.854  -2.854
  569    HA   GLN  72           HA       GLN  72 -16.414  -2.849  -2.849
  570   1HB   GLN  72           HB2      GLN  72 -18.622  -3.932  -3.932
  571   2HB   GLN  72           HB1      GLN  72 -17.135  -4.787  -4.787
  572   1HG   GLN  72           HG2      GLN  72 -18.922  -6.054  -6.054
  573   2HG   GLN  72           HG1      GLN  72 -18.452  -5.490  -5.490
  574   1HE2  GLN  72          HE22      GLN  72 -21.635  -3.557  -3.557
  575   2HE2  GLN  72          HE21      GLN  72 -20.070  -3.529  -3.529
  576    HA   PRO  73           HA       PRO  73 -18.775   0.611   0.611
  577   1HB   PRO  73           HB2      PRO  73 -19.635   0.005   0.005
  578   2HB   PRO  73           HB1      PRO  73 -17.956   0.463   0.463
  579   1HG   PRO  73           HG2      PRO  73 -19.151  -2.297  -2.297
  580   2HG   PRO  73           HG1      PRO  73 -17.693  -1.665  -1.665
  581   1HD   PRO  73           HD2      PRO  73 -17.509  -3.171  -3.171
  582   2HD   PRO  73           HD1      PRO  73 -16.522  -1.701  -1.701
  583    H    SER  74           HN       SER  74 -20.387  -2.419  -2.419
  584    HA   SER  74           HA       SER  74 -22.559  -3.224  -3.224
  585   1HB   SER  74           HB2      SER  74 -22.143  -3.222  -3.222
  586   2HB   SER  74           HB1      SER  74 -21.855  -1.814  -1.814
  587    HG   SER  74           HG       SER  74 -24.107  -1.494  -1.494
  588    H    SER  75           HN       SER  75 -24.475  -2.784  -2.784
  589    HA   SER  75           HA       SER  75 -26.177  -1.547  -1.547
  590   1HB   SER  75           HB2      SER  75 -25.776  -0.528  -0.528
  591   2HB   SER  75           HB1      SER  75 -25.605   0.918   0.918
  592    HG   SER  75           HG       SER  75 -27.833  -0.281  -0.281
  593    H    GLN  76           HN       GLN  76 -23.323  -1.453  -1.453
  594    HA   GLN  76           HA       GLN  76 -23.472   0.987   0.987
  595   1HB   GLN  76           HB2      GLN  76 -21.464   0.168   0.168
  596   2HB   GLN  76           HB1      GLN  76 -20.777   0.631   0.631
  597   1HG   GLN  76           HG2      GLN  76 -21.106   2.779   2.779
  598   2HG   GLN  76           HG1      GLN  76 -22.826   2.526   2.526
  599   1HE2  GLN  76          HE22      GLN  76 -22.550   2.409   2.409
  600   2HE2  GLN  76          HE21      GLN  76 -23.548   2.053   2.053
  601    HA   PRO  77           HA       PRO  77 -20.954  -2.324  -2.324
  602   1HB   PRO  77           HB2      PRO  77 -20.307  -4.672  -4.672
  603   2HB   PRO  77           HB1      PRO  77 -19.229  -3.253  -3.253
  604   1HG   PRO  77           HG2      PRO  77 -21.084  -4.289  -4.289
  605   2HG   PRO  77           HG1      PRO  77 -19.540  -3.443  -3.443
  606   1HD   PRO  77           HD2      PRO  77 -21.978  -2.486  -2.486
  607   2HD   PRO  77           HD1      PRO  77 -20.585  -1.411  -1.411
  608    H    ARG  78           HN       ARG  78 -23.493  -3.242  -3.242
  609    HA   ARG  78           HA       ARG  78 -24.651  -5.040  -5.040
  610   1HB   ARG  78           HB2      ARG  78 -24.750  -5.340  -5.340
  611   2HB   ARG  78           HB1      ARG  78 -25.289  -6.581  -6.581
  612   1HG   ARG  78           HG2      ARG  78 -22.760  -6.478  -6.478
  613   2HG   ARG  78           HG1      ARG  78 -22.568  -5.548  -5.548
  614   1HD   ARG  78           HD2      ARG  78 -23.287  -7.380  -7.380
  615   2HD   ARG  78           HD1      ARG  78 -23.814  -8.322  -8.322
  616    HE   ARG  78           HE       ARG  78 -21.084  -7.643  -7.643
  617   1HH1  ARG  78          HH11      ARG  78 -22.172 -10.456 -10.456
  618   2HH1  ARG  78          HH12      ARG  78 -21.329 -11.178 -11.178
  619   1HH2  ARG  78          HH21      ARG  78 -20.362  -8.137  -8.137
  620   2HH2  ARG  78          HH22      ARG  78 -20.300  -9.861  -9.861
  621    H    GLY  79           HN       GLY  79 -25.125  -2.136  -2.136
  622   1HA   GLY  79           HA2      GLY  79 -28.117  -2.465  -2.465
  623   2HA   GLY  79           HA1      GLY  79 -27.271  -1.516  -1.516
  624    H    ASP  80           HN       ASP  80 -27.077   0.628   0.628
  625    HA   ASP  80           HA       ASP  80 -28.102   1.731   1.731
  626   1HB   ASP  80           HB2      ASP  80 -26.790   2.860   2.860
  627   2HB   ASP  80           HB1      ASP  80 -27.377   3.878   3.878
  628    HA   PRO  81           HA       PRO  81 -24.193   1.767   1.767
  629   1HB   PRO  81           HB2      PRO  81 -24.915   3.375   3.375
  630   2HB   PRO  81           HB1      PRO  81 -25.422   1.685   1.685
  631   1HG   PRO  81           HG2      PRO  81 -26.944   4.161   4.161
  632   2HG   PRO  81           HG1      PRO  81 -27.485   2.666   2.666
  633   1HD   PRO  81           HD2      PRO  81 -27.957   3.290   3.290
  634   2HD   PRO  81           HD1      PRO  81 -27.869   1.624   1.624
  635    H    THR  82           HN       THR  82 -22.977   2.993   2.993
  636    HA   THR  82           HA       THR  82 -23.253   5.886   5.886
  637    HB   THR  82           HB       THR  82 -20.904   5.408   5.408
  638    HG1  THR  82           HG1      THR  82 -21.893   2.842   2.842
  639   1HG2  THR  82          HG21      THR  82 -23.632   4.486   4.486
  640   2HG2  THR  82          HG23      THR  82 -22.225   4.435   4.435
  641   3HG2  THR  82          HG22      THR  82 -22.786   5.975   5.975
  642    H    GLY  83           HN       GLY  83 -20.638   3.812   3.812
  643   1HA   GLY  83           HA2      GLY  83 -20.259   5.370   5.370
  644   2HA   GLY  83           HA1      GLY  83 -19.117   5.914   5.914
  645    HA   PRO  84           HA       PRO  84 -16.901   2.266   2.266
  646   1HB   PRO  84           HB2      PRO  84 -14.634   2.803   2.803
  647   2HB   PRO  84           HB1      PRO  84 -15.090   3.709   3.709
  648   1HG   PRO  84           HG2      PRO  84 -15.089   4.565   4.565
  649   2HG   PRO  84           HG1      PRO  84 -15.295   5.549   5.549
  650   1HD   PRO  84           HD2      PRO  84 -17.248   4.327   4.327
  651   2HD   PRO  84           HD1      PRO  84 -17.576   5.734   5.734
  652    H    LYS  85           HN       LYS  85 -18.488   2.399   2.399
  653    HA   LYS  85           HA       LYS  85 -16.942   0.383   0.383
  654   1HB   LYS  85           HB2      LYS  85 -19.744   1.368   1.368
  655   2HB   LYS  85           HB1      LYS  85 -18.503   0.815   0.815
  656   1HG   LYS  85           HG2      LYS  85 -18.663   3.449   3.449
  657   2HG   LYS  85           HG1      LYS  85 -18.557   3.163   3.163
  658   1HD   LYS  85           HD2      LYS  85 -16.297   2.380   2.380
  659   2HD   LYS  85           HD1      LYS  85 -16.481   3.967   3.967
  660   1HE   LYS  85           HE2      LYS  85 -16.583   2.875   2.875
  661   2HE   LYS  85           HE1      LYS  85 -16.116   1.356   1.356
  662   1HZ   LYS  85           HZ2      LYS  85 -14.221   2.564   2.564
  663   2HZ   LYS  85           HZ1      LYS  85 -14.643   3.947   3.947
  664   3HZ   LYS  85           HZ3      LYS  85 -14.139   2.542   2.542
  665    H    GLU  86           HN       GLU  86 -19.079   0.312   0.312
  666    HA   GLU  86           HA       GLU  86 -20.700  -1.994  -1.994
  667   1HB   GLU  86           HB2      GLU  86 -19.961  -0.671  -0.671
  668   2HB   GLU  86           HB1      GLU  86 -21.313  -1.822  -1.822
  669   1HG   GLU  86           HG2      GLU  86 -22.176  -0.190  -0.190
  670   2HG   GLU  86           HG1      GLU  86 -20.897   0.928   0.928

  Start of MODEL    3
    1   1H    LEU   1           HT2      LEU   1 -24.124  21.235  21.235
    2   2H    LEU   1           HT1      LEU   1 -22.771  20.548  20.548
    3   3H    LEU   1           HT3      LEU   1 -22.567  21.828  21.828
    4    HA   LEU   1           HA       LEU   1 -23.190  20.481  20.481
    5   1HB   LEU   1           HB2      LEU   1 -20.928  20.297  20.297
    6   2HB   LEU   1           HB1      LEU   1 -21.415  18.590  18.590
    7    HG   LEU   1           HG       LEU   1 -21.577  18.603  18.603
    8   1HD1  LEU   1          HD12      LEU   1 -20.883  21.506  21.506
    9   2HD1  LEU   1          HD11      LEU   1 -20.293  20.633  20.633
   10   3HD1  LEU   1          HD13      LEU   1 -22.026  20.752  20.752
   11   1HD2  LEU   1          HD22      LEU   1 -19.331  18.474  18.474
   12   2HD2  LEU   1          HD21      LEU   1 -19.415  18.114  18.114
   13   3HD2  LEU   1          HD23      LEU   1 -18.889  19.707  19.707
   14    H    ASP   2           HN       ASP   2 -23.271  17.910  17.910
   15    HA   ASP   2           HA       ASP   2 -24.571  15.959  15.959
   16   1HB   ASP   2           HB2      ASP   2 -23.399  15.951  15.951
   17   2HB   ASP   2           HB1      ASP   2 -24.907  16.638  16.638
   18    HA   PRO   3           HA       PRO   3 -28.482  18.346  18.346
   19   1HB   PRO   3           HB2      PRO   3 -28.817  18.627  18.627
   20   2HB   PRO   3           HB1      PRO   3 -27.863  19.743  19.743
   21   1HG   PRO   3           HG2      PRO   3 -26.934  17.753  17.753
   22   2HG   PRO   3           HG1      PRO   3 -26.102  19.151  19.151
   23   1HD   PRO   3           HD2      PRO   3 -25.906  16.363  16.363
   24   2HD   PRO   3           HD1      PRO   3 -24.906  17.711  17.711
   25    H    VAL   4           HN       VAL   4 -28.494  16.597  16.597
   26    HA   VAL   4           HA       VAL   4 -30.752  14.920  14.920
   27    HB   VAL   4           HB       VAL   4 -28.834  15.234  15.234
   28   1HG1  VAL   4          HG12      VAL   4 -30.894  13.036  13.036
   29   2HG1  VAL   4          HG11      VAL   4 -30.267  13.613  13.613
   30   3HG1  VAL   4          HG13      VAL   4 -29.178  12.873  12.873
   31   1HG2  VAL   4          HG21      VAL   4 -31.279  16.376  16.376
   32   2HG2  VAL   4          HG23      VAL   4 -30.431  16.548  16.548
   33   3HG2  VAL   4          HG22      VAL   4 -31.652  15.290  15.290
   34    H    ASP   5           HN       ASP   5 -27.393  14.257  14.257
   35    HA   ASP   5           HA       ASP   5 -26.948  12.362  12.362
   36   1HB   ASP   5           HB2      ASP   5 -27.756  11.501  11.501
   37   2HB   ASP   5           HB1      ASP   5 -26.314  10.673  10.673
   38    HA   PRO   6           HA       PRO   6 -23.016  13.453  13.453
   39   1HB   PRO   6           HB2      PRO   6 -22.895  13.452  13.452
   40   2HB   PRO   6           HB1      PRO   6 -22.872  11.960  11.960
   41   1HG   PRO   6           HG2      PRO   6 -24.977  12.985  12.985
   42   2HG   PRO   6           HG1      PRO   6 -24.804  11.374  11.374
   43   1HD   PRO   6           HD2      PRO   6 -26.339  13.687  13.687
   44   2HD   PRO   6           HD1      PRO   6 -26.527  11.948  11.948
   45    H    ASN   7           HN       ASN   7 -22.120  15.286  15.286
   46    HA   ASN   7           HA       ASN   7 -23.543  17.719  17.719
   47   1HB   ASN   7           HB2      ASN   7 -21.195  17.110  17.110
   48   2HB   ASN   7           HB1      ASN   7 -21.750  18.759  18.759
   49   1HD2  ASN   7          HD22      ASN   7 -19.325  16.956  16.956
   50   2HD2  ASN   7          HD21      ASN   7 -19.560  16.413  16.413
   51    H    ILE   8           HN       ILE   8 -22.851  16.198  16.198
   52    HA   ILE   8           HA       ILE   8 -25.402  17.401  17.401
   53    HB   ILE   8           HB       ILE   8 -24.319  18.186  18.186
   54   1HG1  ILE   8          HG12      ILE   8 -22.950  16.115  16.115
   55   2HG1  ILE   8          HG11      ILE   8 -22.080  17.611  17.611
   56   1HG2  ILE   8          HG23      ILE   8 -22.404  18.613  18.613
   57   2HG2  ILE   8          HG22      ILE   8 -22.434  19.570  19.570
   58   3HG2  ILE   8          HG21      ILE   8 -23.817  19.594  19.594
   59   1HD1  ILE   8          HD13      ILE   8 -21.276  17.319  17.319
   60   2HD1  ILE   8          HD12      ILE   8 -21.784  15.644  15.644
   61   3HD1  ILE   8          HD11      ILE   8 -20.549  16.325  16.325
   62    H    GLU   9           HN       GLU   9 -24.286  14.561  14.561
   63    HA   GLU   9           HA       GLU   9 -24.515  12.339  12.339
   64   1HB   GLU   9           HB2      GLU   9 -26.762  13.936  13.936
   65   2HB   GLU   9           HB1      GLU   9 -26.592  12.228  12.228
   66   1HG   GLU   9           HG2      GLU   9 -26.609  11.712  11.712
   67   2HG   GLU   9           HG1      GLU   9 -26.855  13.431  13.431
   68    HA   PRO  10           HA       PRO  10 -22.411  13.208  13.208
   69   1HB   PRO  10           HB2      PRO  10 -19.823  13.034  13.034
   70   2HB   PRO  10           HB1      PRO  10 -20.930  14.463  14.463
   71   1HG   PRO  10           HG2      PRO  10 -20.035  12.544  12.544
   72   2HG   PRO  10           HG1      PRO  10 -20.211  14.322  14.322
   73   1HD   PRO  10           HD2      PRO  10 -21.911  12.110  12.110
   74   2HD   PRO  10           HD1      PRO  10 -22.346  13.836  13.836
   75    H    TRP  11           HN       TRP  11 -23.424  10.663  10.663
   76    HA   TRP  11           HA       TRP  11 -21.190   8.768   8.768
   77   1HB   TRP  11           HB2      TRP  11 -23.946   8.317   8.317
   78   2HB   TRP  11           HB1      TRP  11 -22.570   7.169   7.169
   79    HD1  TRP  11           HD1      TRP  11 -23.743  10.200  10.200
   80    HE1  TRP  11           HE1      TRP  11 -22.178  10.500  10.500
   81    HE3  TRP  11           HE3      TRP  11 -20.169   6.725   6.725
   82    HZ2  TRP  11           HZ2      TRP  11 -19.739   9.399   9.399
   83    HZ3  TRP  11           HZ3      TRP  11 -18.246   6.378   6.378
   84    HH2  TRP  11           HH2      TRP  11 -18.027   7.706   7.706
   85    H    ASN  12           HN       ASN  12 -22.241  10.185  10.185
   86    HA   ASN  12           HA       ASN  12 -23.581   8.030   8.030
   87   1HB   ASN  12           HB2      ASN  12 -25.095  10.030  10.030
   88   2HB   ASN  12           HB1      ASN  12 -25.464   9.162   9.162
   89   1HD2  ASN  12          HD22      ASN  12 -24.502  11.838  11.838
   90   2HD2  ASN  12          HD21      ASN  12 -24.620  10.159  10.159
   91    H    HIS  13           HN       HIS  13 -21.452   7.935   7.935
   92    HA   HIS  13           HA       HIS  13 -20.587  10.319  10.319
   93   1HB   HIS  13           HB2      HIS  13 -19.381   7.721   7.721
   94   2HB   HIS  13           HB1      HIS  13 -18.575   8.663   8.663
   95    HD1  HIS  13           HD1      HIS  13 -16.598   9.096   9.096
   96    HD2  HIS  13           HD2      HIS  13 -20.256  10.714  10.714
   97    HE1  HIS  13           HE1      HIS  13 -16.088  10.721  10.721
   98    HA   PRO  14           HA       PRO  14 -22.044   8.456   8.456
   99   1HB   PRO  14           HB2      PRO  14 -20.314   9.834   9.834
  100   2HB   PRO  14           HB1      PRO  14 -21.802  10.497  10.497
  101   1HG   PRO  14           HG2      PRO  14 -18.908  10.683  10.683
  102   2HG   PRO  14           HG1      PRO  14 -20.117  11.971  11.971
  103   1HD   PRO  14           HD2      PRO  14 -19.338  10.739  10.739
  104   2HD   PRO  14           HD1      PRO  14 -20.972  11.425  11.425
  105    H    GLY  15           HN       GLY  15 -18.835   8.262   8.262
  106   1HA   GLY  15           HA2      GLY  15 -17.206   6.697   6.697
  107   2HA   GLY  15           HA1      GLY  15 -18.304   5.654   5.654
  108    H    SER  16           HN       SER  16 -17.800   8.945   8.945
  109    HA   SER  16           HA       SER  16 -15.739   8.167   8.167
  110   1HB   SER  16           HB2      SER  16 -18.577   8.853   8.853
  111   2HB   SER  16           HB1      SER  16 -17.474   9.718   9.718
  112    HG   SER  16           HG       SER  16 -18.174   7.692   7.692
  113    H    GLN  17           HN       GLN  17 -16.627  10.348  10.348
  114    HA   GLN  17           HA       GLN  17 -14.966  12.487  12.487
  115   1HB   GLN  17           HB2      GLN  17 -17.760  12.744  12.744
  116   2HB   GLN  17           HB1      GLN  17 -16.538  14.056  14.056
  117   1HG   GLN  17           HG2      GLN  17 -16.730  14.292  14.292
  118   2HG   GLN  17           HG1      GLN  17 -16.918  12.572  12.572
  119   1HE2  GLN  17          HE22      GLN  17 -20.472  12.646  12.646
  120   2HE2  GLN  17          HE21      GLN  17 -19.095  11.640  11.640
  121    HA   PRO  18           HA       PRO  18 -14.687  13.224  13.224
  122   1HB   PRO  18           HB2      PRO  18 -16.074  11.570  11.570
  123   2HB   PRO  18           HB1      PRO  18 -16.740  13.101  13.101
  124   1HG   PRO  18           HG2      PRO  18 -17.178  10.306  10.306
  125   2HG   PRO  18           HG1      PRO  18 -18.345  11.611  11.611
  126   1HD   PRO  18           HD2      PRO  18 -17.423  10.926  10.926
  127   2HD   PRO  18           HD1      PRO  18 -17.792  12.647  12.647
  128    H    LYS  19           HN       LYS  19 -15.044   9.896   9.896
  129    HA   LYS  19           HA       LYS  19 -12.499   9.206   9.206
  130   1HB   LYS  19           HB2      LYS  19 -13.451   6.953   6.953
  131   2HB   LYS  19           HB1      LYS  19 -14.501   8.169   8.169
  132   1HG   LYS  19           HG2      LYS  19 -16.092   8.004   8.004
  133   2HG   LYS  19           HG1      LYS  19 -14.972   7.224   7.224
  134   1HD   LYS  19           HD2      LYS  19 -15.280   5.684   5.684
  135   2HD   LYS  19           HD1      LYS  19 -16.831   5.978   5.978
  136   1HE   LYS  19           HE2      LYS  19 -15.621   5.210   5.210
  137   2HE   LYS  19           HE1      LYS  19 -14.398   4.548   4.548
  138   1HZ   LYS  19           HZ3      LYS  19 -16.288   3.519   3.519
  139   2HZ   LYS  19           HZ2      LYS  19 -17.321   3.988   3.988
  140   3HZ   LYS  19           HZ1      LYS  19 -16.062   2.885   2.885
  141    H    THR  20           HN       THR  20 -12.935  10.226  10.226
  142    HA   THR  20           HA       THR  20 -11.397   8.153   8.153
  143    HB   THR  20           HB       THR  20 -14.284   8.778   8.778
  144    HG1  THR  20           HG1      THR  20 -12.686   6.443   6.443
  145   1HG2  THR  20          HG21      THR  20 -12.273   7.971   7.971
  146   2HG2  THR  20          HG23      THR  20 -14.021   7.832   7.832
  147   3HG2  THR  20          HG22      THR  20 -13.278   9.421   9.421
  148    H    ALA  21           HN       ALA  21 -13.072  11.321  11.321
  149    HA   ALA  21           HA       ALA  21 -11.863  12.213  12.213
  150   1HB   ALA  21           HB2      ALA  21 -13.000  13.669  13.669
  151   2HB   ALA  21           HB1      ALA  21 -12.566  14.467  14.467
  152   3HB   ALA  21           HB3      ALA  21 -13.839  13.250  13.250
  153    H    SER  22           HN       SER  22  -9.586  11.366  11.366
  154    HA   SER  22           HA       SER  22  -7.329  11.840  11.840
  155   1HB   SER  22           HB2      SER  22  -8.666  13.919  13.919
  156   2HB   SER  22           HB1      SER  22  -7.806  14.737  14.737
  157    HG   SER  22           HG       SER  22  -5.865  13.949  13.949
  158    H    ASN  23           HN       ASN  23  -9.534  11.855  11.855
  159    HA   ASN  23           HA       ASN  23  -8.213  13.402  13.402
  160   1HB   ASN  23           HB2      ASN  23 -10.125  12.821  12.821
  161   2HB   ASN  23           HB1      ASN  23 -10.747  12.570  12.570
  162   1HD2  ASN  23          HD22      ASN  23 -10.238   8.917   8.917
  163   2HD2  ASN  23          HD21      ASN  23  -9.728  10.134  10.134
  164    H    ARG  24           HN       ARG  24  -8.398  11.427  11.427
  165    HA   ARG  24           HA       ARG  24  -6.273   9.486   9.486
  166   1HB   ARG  24           HB2      ARG  24  -5.192  10.044  10.044
  167   2HB   ARG  24           HB1      ARG  24  -5.483  11.402  11.402
  168   1HG   ARG  24           HG2      ARG  24  -7.802  11.558  11.558
  169   2HG   ARG  24           HG1      ARG  24  -6.656  10.941  10.941
  170   1HD   ARG  24           HD2      ARG  24  -6.294  13.187  13.187
  171   2HD   ARG  24           HD1      ARG  24  -5.216  12.896  12.896
  172    HE   ARG  24           HE       ARG  24  -7.514  13.239  13.239
  173   1HH1  ARG  24          HH21      ARG  24  -9.175  14.394  14.394
  174   2HH1  ARG  24          HH22      ARG  24  -8.795  16.083  16.083
  175   1HH2  ARG  24          HH11      ARG  24  -5.797  15.659  15.659
  176   2HH2  ARG  24          HH12      ARG  24  -6.878  16.801  16.801
  177    H    ALA  25           HN       ALA  25  -8.828  10.202  10.202
  178    HA   ALA  25           HA       ALA  25 -10.557   8.767   8.767
  179   1HB   ALA  25           HB3      ALA  25  -9.867   7.443   7.443
  180   2HB   ALA  25           HB2      ALA  25  -9.050   6.372   6.372
  181   3HB   ALA  25           HB1      ALA  25 -10.791   6.623   6.623
  182    H    HIS  26           HN       HIS  26  -8.118   9.564   9.564
  183    HA   HIS  26           HA       HIS  26  -8.410   7.766   7.766
  184   1HB   HIS  26           HB2      HIS  26  -5.728   7.512   7.512
  185   2HB   HIS  26           HB1      HIS  26  -6.873   6.378   6.378
  186    HD1  HIS  26           HD1      HIS  26  -4.092   8.726   8.726
  187    HD2  HIS  26           HD2      HIS  26  -7.105   6.806   6.806
  188    HE1  HIS  26           HE1      HIS  26  -3.499   8.945   8.945
  189    H    ALA  27           HN       ALA  27  -5.811   9.993   9.993
  190    HA   ALA  27           HA       ALA  27  -5.423  11.342  11.342
  191   1HB   ALA  27           HB1      ALA  27  -4.374  11.412  11.412
  192   2HB   ALA  27           HB3      ALA  27  -5.231  12.954  12.954
  193   3HB   ALA  27           HB2      ALA  27  -3.989  12.589  12.589
  194    H    LYS  28           HN       LYS  28  -7.939  11.588  11.588
  195    HA   LYS  28           HA       LYS  28  -9.091  14.102  14.102
  196   1HB   LYS  28           HB2      LYS  28  -9.887  12.759  12.759
  197   2HB   LYS  28           HB1      LYS  28 -10.001  11.317  11.317
  198   1HG   LYS  28           HG2      LYS  28 -12.022  12.401  12.401
  199   2HG   LYS  28           HG1      LYS  28 -11.744  13.861  13.861
  200   1HD   LYS  28           HD2      LYS  28 -13.502  12.641  12.641
  201   2HD   LYS  28           HD1      LYS  28 -12.051  12.463  12.463
  202   1HE   LYS  28           HE2      LYS  28 -11.629  10.245  10.245
  203   2HE   LYS  28           HE1      LYS  28 -13.283  10.429  10.429
  204   1HZ   LYS  28           HZ3      LYS  28 -12.509  10.547  10.547
  205   2HZ   LYS  28           HZ2      LYS  28 -13.180   9.184   9.184
  206   3HZ   LYS  28           HZ1      LYS  28 -14.088  10.614  10.614
  207    H    LYS  29           HN       LYS  29  -9.341  11.228  11.228
  208    HA   LYS  29           HA       LYS  29 -10.280  12.918  12.918
  209   1HB   LYS  29           HB2      LYS  29 -12.404  11.945  11.945
  210   2HB   LYS  29           HB1      LYS  29 -12.230  12.100  12.100
  211   1HG   LYS  29           HG2      LYS  29 -11.862   9.578   9.578
  212   2HG   LYS  29           HG1      LYS  29 -13.088   9.916   9.916
  213   1HD   LYS  29           HD2      LYS  29 -11.170  10.162  10.162
  214   2HD   LYS  29           HD1      LYS  29 -10.160   9.496   9.496
  215   1HE   LYS  29           HE2      LYS  29 -10.730   7.608   7.608
  216   2HE   LYS  29           HE1      LYS  29 -11.777   7.514   7.514
  217   1HZ   LYS  29           HZ3      LYS  29 -12.515   8.840   8.840
  218   2HZ   LYS  29           HZ2      LYS  29 -13.009   7.276   7.276
  219   3HZ   LYS  29           HZ1      LYS  29 -13.532   8.617   8.617
  220    H    SER  30           HN       SER  30  -8.083  10.765  10.765
  221    HA   SER  30           HA       SER  30  -8.479   8.717   8.717
  222   1HB   SER  30           HB2      SER  30  -7.539   8.204   8.204
  223   2HB   SER  30           HB1      SER  30  -6.160   9.262   9.262
  224    HG   SER  30           HG       SER  30  -6.075   6.854   6.854
  225    H    ALA  31           HN       ALA  31  -8.085   9.356   9.356
  226    HA   ALA  31           HA       ALA  31  -5.527   9.973   9.973
  227   1HB   ALA  31           HB2      ALA  31  -7.158  12.280  12.280
  228   2HB   ALA  31           HB1      ALA  31  -6.316  12.500  12.500
  229   3HB   ALA  31           HB3      ALA  31  -5.404  12.108  12.108
  230    H    TYR  32           HN       TYR  32  -8.995  10.473  10.473
  231    HA   TYR  32           HA       TYR  32  -8.788   9.893   9.893
  232   1HB   TYR  32           HB2      TYR  32 -11.329  11.166  11.166
  233   2HB   TYR  32           HB1      TYR  32  -9.928  11.768  11.768
  234    HD1  TYR  32           HD1      TYR  32 -11.066  11.318  11.318
  235    HD2  TYR  32           HD2      TYR  32  -8.986  13.727  13.727
  236    HE1  TYR  32           HE1      TYR  32 -10.693  13.063  13.063
  237    HE2  TYR  32           HE2      TYR  32  -8.616  15.471  15.471
  238    HH   TYR  32           HH       TYR  32  -8.567  15.200  15.200
  239    H    HIS  33           HN       HIS  33  -8.684   7.906   7.906
  240    HA   HIS  33           HA       HIS  33  -9.613   5.840   5.840
  241   1HB   HIS  33           HB2      HIS  33 -11.845   6.811   6.811
  242   2HB   HIS  33           HB1      HIS  33 -11.597   5.165   5.165
  243    HD1  HIS  33           HD1      HIS  33  -9.711   3.764   3.764
  244    HD2  HIS  33           HD2      HIS  33  -9.879   7.624   7.624
  245    HE1  HIS  33           HE1      HIS  33  -8.162   3.794   3.794
  246    H    SER  34           HN       SER  34 -10.513   8.608   8.608
  247    HA   SER  34           HA       SER  34 -11.834   9.264   9.264
  248   1HB   SER  34           HB2      SER  34 -10.870   7.610   7.610
  249   2HB   SER  34           HB1      SER  34 -11.456   6.318   6.318
  250    HG   SER  34           HG       SER  34 -12.951   6.132   6.132
  251    H    GLN  35           HN       GLN  35 -13.683  10.212  10.212
  252    HA   GLN  35           HA       GLN  35 -16.019   8.379   8.379
  253   1HB   GLN  35           HB2      GLN  35 -15.305  11.055  11.055
  254   2HB   GLN  35           HB1      GLN  35 -16.781  10.125  10.125
  255   1HG   GLN  35           HG2      GLN  35 -13.924   9.310   9.310
  256   2HG   GLN  35           HG1      GLN  35 -15.214   9.625   9.625
  257   1HE2  GLN  35          HE22      GLN  35 -14.766   5.910   5.910
  258   2HE2  GLN  35          HE21      GLN  35 -13.554   7.111   7.111
  259    H    VAL  36           HN       VAL  36 -14.830  10.549  10.549
  260    HA   VAL  36           HA       VAL  36 -15.799  11.971  11.971
  261    HB   VAL  36           HB       VAL  36 -18.073   9.994   9.994
  262   1HG1  VAL  36          HG11      VAL  36 -17.518  11.973  11.973
  263   2HG1  VAL  36          HG13      VAL  36 -17.230  10.405  10.405
  264   3HG1  VAL  36          HG12      VAL  36 -18.791  10.752  10.752
  265   1HG2  VAL  36          HG21      VAL  36 -15.927   8.745   8.745
  266   2HG2  VAL  36          HG23      VAL  36 -16.916   8.409   8.409
  267   3HG2  VAL  36          HG22      VAL  36 -15.514   9.472   9.472
  268    H    ALA  37           HN       ALA  37 -16.101  13.563  13.563
  269    HA   ALA  37           HA       ALA  37 -17.454  15.081  15.081
  270   1HB   ALA  37           HB3      ALA  37 -18.865  14.799  14.799
  271   2HB   ALA  37           HB2      ALA  37 -19.065  16.159  16.159
  272   3HB   ALA  37           HB1      ALA  37 -17.501  15.860  15.860
  273    H    PHE  38           HN       PHE  38 -18.145  12.902  12.902
  274    HA   PHE  38           HA       PHE  38 -21.028  12.331  12.331
  275   1HB   PHE  38           HB2      PHE  38 -20.608  10.391  10.391
  276   2HB   PHE  38           HB1      PHE  38 -19.196  10.560  10.560
  277    HD1  PHE  38           HD1      PHE  38 -18.137  12.957  12.957
  278    HD2  PHE  38           HD2      PHE  38 -19.508   8.937   8.937
  279    HE1  PHE  38           HE1      PHE  38 -16.816  12.834  12.834
  280    HE2  PHE  38           HE2      PHE  38 -18.185   8.819   8.819
  281    HZ   PHE  38           HZ       PHE  38 -16.844  10.771  10.771
  282    H    ILE  39           HN       ILE  39 -20.865  11.726  11.726
  283    HA   ILE  39           HA       ILE  39 -22.505  13.811  13.811
  284    HB   ILE  39           HB       ILE  39 -20.509  12.127  12.127
  285   1HG1  ILE  39          HG12      ILE  39 -22.458  11.201  11.201
  286   2HG1  ILE  39          HG11      ILE  39 -21.861  10.378  10.378
  287   1HG2  ILE  39          HG22      ILE  39 -22.939  13.711  13.711
  288   2HG2  ILE  39          HG21      ILE  39 -22.270  12.410  12.410
  289   3HG2  ILE  39          HG23      ILE  39 -21.293  13.834  13.834
  290   1HD1  ILE  39          HD11      ILE  39 -24.201  12.380  12.380
  291   2HD1  ILE  39          HD13      ILE  39 -24.444  10.639  10.639
  292   3HD1  ILE  39          HD12      ILE  39 -23.782  11.316  11.316
  293    H    THR  40           HN       THR  40 -19.213  13.528  13.528
  294    HA   THR  40           HA       THR  40 -19.180  16.440  16.440
  295    HB   THR  40           HB       THR  40 -18.440  14.491  14.491
  296    HG1  THR  40           HG1      THR  40 -16.638  16.644  16.644
  297   1HG2  THR  40          HG23      THR  40 -16.099  14.710  14.710
  298   2HG2  THR  40          HG22      THR  40 -15.919  14.117  14.117
  299   3HG2  THR  40          HG21      THR  40 -16.963  13.262  13.262
  300    H    LYS  41           HN       LYS  41 -17.311  17.767  17.767
  301    HA   LYS  41           HA       LYS  41 -16.622  17.462  17.462
  302   1HB   LYS  41           HB2      LYS  41 -15.320  19.538  19.538
  303   2HB   LYS  41           HB1      LYS  41 -16.995  19.637  19.637
  304   1HG   LYS  41           HG2      LYS  41 -16.271  20.097  20.097
  305   2HG   LYS  41           HG1      LYS  41 -15.434  18.571  18.571
  306   1HD   LYS  41           HD2      LYS  41 -14.254  20.975  20.975
  307   2HD   LYS  41           HD1      LYS  41 -14.057  20.742  20.742
  308   1HE   LYS  41           HE2      LYS  41 -13.285  18.544  18.544
  309   2HE   LYS  41           HE1      LYS  41 -12.169  19.827  19.827
  310   1HZ   LYS  41           HZ2      LYS  41 -13.685  18.086  18.086
  311   2HZ   LYS  41           HZ1      LYS  41 -12.049  17.886  17.886
  312   3HZ   LYS  41           HZ3      LYS  41 -12.547  19.273  19.273
  313    H    GLY  42           HN       GLY  42 -14.956  16.712  16.712
  314   1HA   GLY  42           HA2      GLY  42 -12.317  16.479  16.479
  315   2HA   GLY  42           HA1      GLY  42 -12.838  15.864  15.864
  316    H    LEU  43           HN       LEU  43 -15.076  14.566  14.566
  317    HA   LEU  43           HA       LEU  43 -15.476  12.584  12.584
  318   1HB   LEU  43           HB2      LEU  43 -12.569  12.997  12.997
  319   2HB   LEU  43           HB1      LEU  43 -13.643  11.813  11.813
  320    HG   LEU  43           HG       LEU  43 -14.297  14.766  14.766
  321   1HD1  LEU  43          HD11      LEU  43 -12.972  13.207  13.207
  322   2HD1  LEU  43          HD13      LEU  43 -13.878  14.691  14.691
  323   3HD1  LEU  43          HD12      LEU  43 -12.448  14.721  14.721
  324   1HD2  LEU  43          HD23      LEU  43 -16.183  13.171  13.171
  325   2HD2  LEU  43          HD22      LEU  43 -16.021  14.245  14.245
  326   3HD2  LEU  43          HD21      LEU  43 -15.479  12.571  12.571
  327    H    GLY  44           HN       GLY  44 -15.198  12.123  12.123
  328   1HA   GLY  44           HA2      GLY  44 -14.908  10.207  10.207
  329   2HA   GLY  44           HA1      GLY  44 -14.168   9.413   9.413
  330    H    ILE  45           HN       ILE  45 -12.823  12.467  12.467
  331    HA   ILE  45           HA       ILE  45 -10.212  11.426  11.426
  332    HB   ILE  45           HB       ILE  45  -9.953  13.643  13.643
  333   1HG1  ILE  45          HG12      ILE  45 -12.122  14.964  14.964
  334   2HG1  ILE  45          HG11      ILE  45 -12.863  13.572  13.572
  335   1HG2  ILE  45          HG21      ILE  45 -10.427  13.118  13.118
  336   2HG2  ILE  45          HG23      ILE  45 -10.707  14.800  14.800
  337   3HG2  ILE  45          HG22      ILE  45  -9.145  14.047  14.047
  338   1HD1  ILE  45          HD13      ILE  45 -10.875  14.636  14.636
  339   2HD1  ILE  45          HD12      ILE  45 -11.679  16.038  16.038
  340   3HD1  ILE  45          HD11      ILE  45 -12.620  14.831  14.831
  341    H    SER  46           HN       SER  46 -12.402  12.533  12.533
  342    HA   SER  46           HA       SER  46 -11.818  10.202  10.202
  343   1HB   SER  46           HB2      SER  46 -10.460  11.429  11.429
  344   2HB   SER  46           HB1      SER  46  -9.652  11.384  11.384
  345    HG   SER  46           HG       SER  46 -10.531  13.507  13.507
  346    H    TYR  47           HN       TYR  47 -14.072  12.224  12.224
  347    HA   TYR  47           HA       TYR  47 -14.972  13.343  13.343
  348   1HB   TYR  47           HB2      TYR  47 -16.683  14.326  14.326
  349   2HB   TYR  47           HB1      TYR  47 -15.300  14.197  14.197
  350    HD1  TYR  47           HD1      TYR  47 -15.118  12.558  12.558
  351    HD2  TYR  47           HD2      TYR  47 -18.628  12.863  12.863
  352    HE1  TYR  47           HE1      TYR  47 -16.373  11.195  11.195
  353    HE2  TYR  47           HE2      TYR  47 -19.889  11.485  11.485
  354    HH   TYR  47           HH       TYR  47 -19.510  11.066  11.066
  355    H    GLY  48           HN       GLY  48 -15.226  10.261  10.261
  356   1HA   GLY  48           HA2      GLY  48 -16.197   8.408   8.408
  357   2HA   GLY  48           HA1      GLY  48 -17.471   9.500   9.500
  358    H    ARG  49           HN       ARG  49 -16.033   8.251   8.251
  359    HA   ARG  49           HA       ARG  49 -18.468   8.741   8.741
  360   1HB   ARG  49           HB2      ARG  49 -17.164   8.007   8.007
  361   2HB   ARG  49           HB1      ARG  49 -16.076   8.940   8.940
  362   1HG   ARG  49           HG2      ARG  49 -15.346   6.747   6.747
  363   2HG   ARG  49           HG1      ARG  49 -16.276   5.918   5.918
  364   1HD   ARG  49           HD2      ARG  49 -14.234   7.979   7.979
  365   2HD   ARG  49           HD1      ARG  49 -13.831   6.214   6.214
  366    HE   ARG  49           HE       ARG  49 -15.831   7.759   7.759
  367   1HH1  ARG  49          HH21      ARG  49 -16.991   5.742   5.742
  368   2HH1  ARG  49          HH22      ARG  49 -15.912   4.702   4.702
  369   1HH2  ARG  49          HH11      ARG  49 -13.041   6.103   6.103
  370   2HH2  ARG  49          HH12      ARG  49 -13.673   4.908   4.908
  371    H    LYS  50           HN       LYS  50 -19.443   6.994   6.994
  372    HA   LYS  50           HA       LYS  50 -19.357   4.268   4.268
  373   1HB   LYS  50           HB2      LYS  50 -21.798   4.294   4.294
  374   2HB   LYS  50           HB1      LYS  50 -21.107   5.636   5.636
  375   1HG   LYS  50           HG2      LYS  50 -21.680   6.317   6.317
  376   2HG   LYS  50           HG1      LYS  50 -23.140   5.840   5.840
  377   1HD   LYS  50           HD2      LYS  50 -22.471   7.530   7.530
  378   2HD   LYS  50           HD1      LYS  50 -21.090   7.967   7.967
  379   1HE   LYS  50           HE2      LYS  50 -22.393   8.959   8.959
  380   2HE   LYS  50           HE1      LYS  50 -23.849   8.051   8.051
  381   1HZ   LYS  50           HZ2      LYS  50 -23.768   9.206   9.206
  382   2HZ   LYS  50           HZ1      LYS  50 -22.502  10.176  10.176
  383   3HZ   LYS  50           HZ3      LYS  50 -24.038  10.263  10.263
  384    H    LYS  51           HN       LYS  51 -18.734   5.821   5.821
  385    HA   LYS  51           HA       LYS  51 -18.818   5.393   5.393
  386   1HB   LYS  51           HB2      LYS  51 -20.069   2.713   2.713
  387   2HB   LYS  51           HB1      LYS  51 -18.809   3.134   3.134
  388   1HG   LYS  51           HG2      LYS  51 -17.281   3.569   3.569
  389   2HG   LYS  51           HG1      LYS  51 -18.585   2.816   2.816
  390   1HD   LYS  51           HD2      LYS  51 -17.262   1.449   1.449
  391   2HD   LYS  51           HD1      LYS  51 -16.835   1.179   1.179
  392   1HE   LYS  51           HE2      LYS  51 -19.223   0.549   0.549
  393   2HE   LYS  51           HE1      LYS  51 -19.558   0.740   0.740
  394   1HZ   LYS  51           HZ1      LYS  51 -17.370  -1.002  -1.002
  395   2HZ   LYS  51           HZ3      LYS  51 -18.904  -1.595  -1.595
  396   3HZ   LYS  51           HZ2      LYS  51 -17.914  -0.894  -0.894
  397    H    ARG  52           HN       ARG  52 -20.897   6.905   6.905
  398    HA   ARG  52           HA       ARG  52 -23.143   7.510   7.510
  399   1HB   ARG  52           HB2      ARG  52 -23.889   7.009   7.009
  400   2HB   ARG  52           HB1      ARG  52 -22.468   8.069   8.069
  401   1HG   ARG  52           HG2      ARG  52 -22.433   5.015   5.015
  402   2HG   ARG  52           HG1      ARG  52 -22.634   6.189   6.189
  403   1HD   ARG  52           HD2      ARG  52 -20.580   7.089   7.089
  404   2HD   ARG  52           HD1      ARG  52 -20.292   6.768   6.768
  405    HE   ARG  52           HE       ARG  52 -20.500   4.243   4.243
  406   1HH1  ARG  52          HH11      ARG  52 -19.541   5.388   5.388
  407   2HH1  ARG  52          HH12      ARG  52 -17.822   5.255   5.255
  408   1HH2  ARG  52          HH21      ARG  52 -17.896   4.777   4.777
  409   2HH2  ARG  52          HH22      ARG  52 -16.890   4.904   4.904
  410    H    ARG  53           HN       ARG  53 -22.585   4.580   4.580
  411    HA   ARG  53           HA       ARG  53 -23.782   2.546   2.546
  412   1HB   ARG  53           HB2      ARG  53 -24.693   4.626   4.626
  413   2HB   ARG  53           HB1      ARG  53 -26.194   4.353   4.353
  414   1HG   ARG  53           HG2      ARG  53 -25.337   1.821   1.821
  415   2HG   ARG  53           HG1      ARG  53 -24.941   2.946   2.946
  416   1HD   ARG  53           HD2      ARG  53 -27.264   3.722   3.722
  417   2HD   ARG  53           HD1      ARG  53 -27.704   2.773   2.773
  418    HE   ARG  53           HE       ARG  53 -26.830   0.761   0.761
  419   1HH1  ARG  53          HH21      ARG  53 -26.355   1.987   1.987
  420   2HH1  ARG  53          HH22      ARG  53 -27.887   1.941   1.941
  421   1HH2  ARG  53          HH11      ARG  53 -29.699   1.393   1.393
  422   2HH2  ARG  53          HH12      ARG  53 -29.786   1.604   1.604
  423    H    GLN  54           HN       GLN  54 -23.457   3.429   3.429
  424    HA   GLN  54           HA       GLN  54 -24.331   3.215   3.215
  425   1HB   GLN  54           HB2      GLN  54 -25.750   0.809   0.809
  426   2HB   GLN  54           HB1      GLN  54 -25.263   1.370   1.370
  427   1HG   GLN  54           HG2      GLN  54 -23.321   0.882   0.882
  428   2HG   GLN  54           HG1      GLN  54 -23.536  -0.344  -0.344
  429   1HE2  GLN  54          HE22      GLN  54 -21.852   1.810   1.810
  430   2HE2  GLN  54          HE21      GLN  54 -23.183   0.749   0.749
  431    H    ARG  55           HN       ARG  55 -25.679   5.237   5.237
  432    HA   ARG  55           HA       ARG  55 -28.513   4.891   4.891
  433   1HB   ARG  55           HB2      ARG  55 -26.729   7.162   7.162
  434   2HB   ARG  55           HB1      ARG  55 -28.465   7.377   7.377
  435   1HG   ARG  55           HG2      ARG  55 -26.991   6.053   6.053
  436   2HG   ARG  55           HG1      ARG  55 -26.782   7.795   7.795
  437   1HD   ARG  55           HD2      ARG  55 -29.327   7.955   7.955
  438   2HD   ARG  55           HD1      ARG  55 -29.373   6.196   6.196
  439    HE   ARG  55           HE       ARG  55 -27.536   7.402   7.402
  440   1HH1  ARG  55          HH11      ARG  55 -29.279   5.221   5.221
  441   2HH1  ARG  55          HH12      ARG  55 -30.478   6.018   6.018
  442   1HH2  ARG  55          HH21      ARG  55 -29.771   9.178   9.178
  443   2HH2  ARG  55          HH22      ARG  55 -30.757   8.266   8.266
  444    H    ARG  56           HN       ARG  56 -26.793   4.241   4.241
  445    HA   ARG  56           HA       ARG  56 -29.264   4.492   4.492
  446   1HB   ARG  56           HB2      ARG  56 -28.011   5.559   5.559
  447   2HB   ARG  56           HB1      ARG  56 -27.707   6.436   6.436
  448   1HG   ARG  56           HG2      ARG  56 -25.848   4.224   4.224
  449   2HG   ARG  56           HG1      ARG  56 -25.693   5.767   5.767
  450   1HD   ARG  56           HD2      ARG  56 -26.007   6.358   6.358
  451   2HD   ARG  56           HD1      ARG  56 -24.924   4.954   4.954
  452    HE   ARG  56           HE       ARG  56 -24.295   7.046   7.046
  453   1HH1  ARG  56          HH21      ARG  56 -22.096   5.454   5.454
  454   2HH1  ARG  56          HH22      ARG  56 -21.352   6.450   6.450
  455   1HH2  ARG  56          HH11      ARG  56 -24.109   8.539   8.539
  456   2HH2  ARG  56          HH12      ARG  56 -22.497   8.203   8.203
  457    H    ARG  57           HN       ARG  57 -28.009   2.167   2.167
  458    HA   ARG  57           HA       ARG  57 -26.369   0.648   0.648
  459   1HB   ARG  57           HB2      ARG  57 -27.017   0.280   0.280
  460   2HB   ARG  57           HB1      ARG  57 -28.501  -0.460  -0.460
  461   1HG   ARG  57           HG2      ARG  57 -26.913  -2.224  -2.224
  462   2HG   ARG  57           HG1      ARG  57 -27.043  -1.977  -1.977
  463   1HD   ARG  57           HD2      ARG  57 -24.982  -0.603  -0.603
  464   2HD   ARG  57           HD1      ARG  57 -24.855  -0.822  -0.822
  465    HE   ARG  57           HE       ARG  57 -24.028  -2.989  -2.989
  466   1HH1  ARG  57          HH21      ARG  57 -25.881  -4.700  -4.700
  467   2HH1  ARG  57          HH22      ARG  57 -25.677  -4.860  -4.860
  468   1HH2  ARG  57          HH11      ARG  57 -23.802  -1.955  -1.955
  469   2HH2  ARG  57          HH12      ARG  57 -24.495  -3.306  -3.306
  470    HA   PRO  58           HA       PRO  58 -30.430  -1.203  -1.203
  471   1HB   PRO  58           HB2      PRO  58 -32.716   0.303   0.303
  472   2HB   PRO  58           HB1      PRO  58 -32.237  -0.908  -0.908
  473   1HG   PRO  58           HG2      PRO  58 -31.944   2.054   2.054
  474   2HG   PRO  58           HG1      PRO  58 -32.379   0.930   0.930
  475   1HD   PRO  58           HD2      PRO  58 -29.973   2.050   2.050
  476   2HD   PRO  58           HD1      PRO  58 -30.123   0.530   0.530
  477    H    SER  59           HN       SER  59 -29.613   2.197   2.197
  478    HA   SER  59           HA       SER  59 -30.749   2.514   2.514
  479   1HB   SER  59           HB2      SER  59 -29.223   4.259   4.259
  480   2HB   SER  59           HB1      SER  59 -29.626   4.803   4.803
  481    HG   SER  59           HG       SER  59 -31.232   5.407   5.407
  482    H    GLN  60           HN       GLN  60 -29.577   1.727   1.727
  483    HA   GLN  60           HA       GLN  60 -26.668   2.269   2.269
  484   1HB   GLN  60           HB2      GLN  60 -27.962  -0.454  -0.454
  485   2HB   GLN  60           HB1      GLN  60 -26.543  -0.185  -0.185
  486   1HG   GLN  60           HG2      GLN  60 -25.297   0.714   0.714
  487   2HG   GLN  60           HG1      GLN  60 -26.717   0.774   0.774
  488   1HE2  GLN  60          HE22      GLN  60 -26.050  -2.473  -2.473
  489   2HE2  GLN  60          HE21      GLN  60 -26.474  -0.847  -0.847
  490    H    GLY  61           HN       GLY  61 -29.323   2.915   2.915
  491   1HA   GLY  61           HA2      GLY  61 -28.991   1.709   1.709
  492   2HA   GLY  61           HA1      GLY  61 -30.101   3.055   3.055
  493    H    GLY  62           HN       GLY  62 -26.891   2.091   2.091
  494   1HA   GLY  62           HA2      GLY  62 -25.165   3.296   3.296
  495   2HA   GLY  62           HA1      GLY  62 -26.363   4.529   4.529
  496    H    GLN  63           HN       GLN  63 -25.722   3.468   3.468
  497    HA   GLN  63           HA       GLN  63 -25.229   6.195   6.195
  498   1HB   GLN  63           HB2      GLN  63 -25.204   3.442   3.442
  499   2HB   GLN  63           HB1      GLN  63 -24.713   4.831   4.831
  500   1HG   GLN  63           HG2      GLN  63 -27.307   4.394   4.394
  501   2HG   GLN  63           HG1      GLN  63 -27.129   4.180   4.180
  502   1HE2  GLN  63          HE22      GLN  63 -26.415   7.977   7.977
  503   2HE2  GLN  63          HE21      GLN  63 -25.385   6.634   6.634
  504    H    THR  64           HN       THR  64 -23.211   3.478   3.478
  505    HA   THR  64           HA       THR  64 -20.858   3.183   3.183
  506    HB   THR  64           HB       THR  64 -21.094   6.179   6.179
  507    HG1  THR  64           HG1      THR  64 -20.994   4.099   4.099
  508   1HG2  THR  64          HG22      THR  64 -18.852   4.229   4.229
  509   2HG2  THR  64          HG21      THR  64 -18.915   5.637   5.637
  510   3HG2  THR  64          HG23      THR  64 -18.830   5.853   5.853
  511    H    HIS  65           HN       HIS  65 -21.926   3.105   3.105
  512    HA   HIS  65           HA       HIS  65 -20.854   5.061   5.061
  513   1HB   HIS  65           HB2      HIS  65 -22.154   2.369   2.369
  514   2HB   HIS  65           HB1      HIS  65 -21.306   3.050   3.050
  515    HD1  HIS  65           HD1      HIS  65 -24.457   2.476   2.476
  516    HD2  HIS  65           HD2      HIS  65 -22.622   6.181   6.181
  517    HE1  HIS  65           HE1      HIS  65 -26.272   4.227   4.227
  518    H    GLN  66           HN       GLN  66 -19.424   3.967   3.967
  519    HA   GLN  66           HA       GLN  66 -17.078   2.661   2.661
  520   1HB   GLN  66           HB2      GLN  66 -17.388   4.931   4.931
  521   2HB   GLN  66           HB1      GLN  66 -15.788   4.174   4.174
  522   1HG   GLN  66           HG2      GLN  66 -15.499   5.433   5.433
  523   2HG   GLN  66           HG1      GLN  66 -16.894   4.659   4.659
  524   1HE2  GLN  66          HE22      GLN  66 -19.148   7.378   7.378
  525   2HE2  GLN  66          HE21      GLN  66 -19.128   5.692   5.692
  526    H    ASP  67           HN       ASP  67 -18.401   3.423   3.423
  527    HA   ASP  67           HA       ASP  67 -17.038   1.157   1.157
  528   1HB   ASP  67           HB2      ASP  67 -17.361   3.267   3.267
  529   2HB   ASP  67           HB1      ASP  67 -19.112   3.138   3.138
  530    HA   PRO  68           HA       PRO  68 -21.547  -0.483  -0.483
  531   1HB   PRO  68           HB2      PRO  68 -23.397   0.446   0.446
  532   2HB   PRO  68           HB1      PRO  68 -23.147   1.193   1.193
  533   1HG   PRO  68           HG2      PRO  68 -22.189   1.919   1.919
  534   2HG   PRO  68           HG1      PRO  68 -22.710   3.040   3.040
  535   1HD   PRO  68           HD2      PRO  68 -20.146   2.658   2.658
  536   2HD   PRO  68           HD1      PRO  68 -20.671   3.038   3.038
  537    H    ILE  69           HN       ILE  69 -20.653   0.314   0.314
  538    HA   ILE  69           HA       ILE  69 -21.104  -2.597  -2.597
  539    HB   ILE  69           HB       ILE  69 -22.407  -2.071  -2.071
  540   1HG1  ILE  69          HG12      ILE  69 -20.941  -0.919  -0.919
  541   2HG1  ILE  69          HG11      ILE  69 -22.275   0.185   0.185
  542   1HG2  ILE  69          HG21      ILE  69 -23.392  -0.928  -0.928
  543   2HG2  ILE  69          HG23      ILE  69 -22.620   0.571   0.571
  544   3HG2  ILE  69          HG22      ILE  69 -23.853  -0.187  -0.187
  545   1HD1  ILE  69          HD12      ILE  69 -20.841   1.118   1.118
  546   2HD1  ILE  69          HD11      ILE  69 -19.482   0.372   0.372
  547   3HD1  ILE  69          HD13      ILE  69 -20.463   1.586   1.586
  548    HA   PRO  70           HA       PRO  70 -16.787  -1.053  -1.053
  549   1HB   PRO  70           HB2      PRO  70 -15.356  -2.498  -2.498
  550   2HB   PRO  70           HB1      PRO  70 -15.782  -0.781  -0.781
  551   1HG   PRO  70           HG2      PRO  70 -17.068  -3.307  -3.307
  552   2HG   PRO  70           HG1      PRO  70 -16.777  -1.785  -1.785
  553   1HD   PRO  70           HD2      PRO  70 -19.206  -2.411  -2.411
  554   2HD   PRO  70           HD1      PRO  70 -18.591  -0.726  -0.726
  555    H    LYS  71           HN       LYS  71 -18.522  -3.953  -3.953
  556    HA   LYS  71           HA       LYS  71 -16.536  -5.833  -5.833
  557   1HB   LYS  71           HB2      LYS  71 -18.582  -7.335  -7.335
  558   2HB   LYS  71           HB1      LYS  71 -18.233  -6.609  -6.609
  559   1HG   LYS  71           HG2      LYS  71 -19.998  -4.774  -4.774
  560   2HG   LYS  71           HG1      LYS  71 -20.577  -6.384  -6.384
  561   1HD   LYS  71           HD2      LYS  71 -21.672  -5.785  -5.785
  562   2HD   LYS  71           HD1      LYS  71 -20.470  -6.992  -6.992
  563   1HE   LYS  71           HE2      LYS  71 -18.984  -5.258  -5.258
  564   2HE   LYS  71           HE1      LYS  71 -20.020  -3.984  -3.984
  565   1HZ   LYS  71           HZ3      LYS  71 -21.858  -4.851  -4.851
  566   2HZ   LYS  71           HZ2      LYS  71 -20.831  -6.034  -6.034
  567   3HZ   LYS  71           HZ1      LYS  71 -20.554  -4.389  -4.389
  568    H    GLN  72           HN       GLN  72 -19.293  -4.069  -4.069
  569    HA   GLN  72           HA       GLN  72 -18.122  -4.444  -4.444
  570   1HB   GLN  72           HB2      GLN  72 -20.621  -5.386  -5.386
  571   2HB   GLN  72           HB1      GLN  72 -19.240  -6.433  -6.433
  572   1HG   GLN  72           HG2      GLN  72 -20.897  -7.255  -7.255
  573   2HG   GLN  72           HG1      GLN  72 -20.069  -6.262  -6.262
  574   1HE2  GLN  72          HE22      GLN  72 -22.915  -3.975  -3.975
  575   2HE2  GLN  72          HE21      GLN  72 -21.251  -4.090  -4.090
  576    HA   PRO  73           HA       PRO  73 -20.300  -0.728  -0.728
  577   1HB   PRO  73           HB2      PRO  73 -21.525  -1.181  -1.181
  578   2HB   PRO  73           HB1      PRO  73 -19.770  -0.900  -0.900
  579   1HG   PRO  73           HG2      PRO  73 -21.241  -3.523  -3.523
  580   2HG   PRO  73           HG1      PRO  73 -19.801  -3.003  -3.003
  581   1HD   PRO  73           HD2      PRO  73 -19.666  -4.604  -4.604
  582   2HD   PRO  73           HD1      PRO  73 -18.436  -3.342  -3.342
  583    H    SER  74           HN       SER  74 -22.352  -3.525  -3.525
  584    HA   SER  74           HA       SER  74 -24.535  -4.116  -4.116
  585   1HB   SER  74           HB2      SER  74 -24.689  -4.026  -4.026
  586   2HB   SER  74           HB1      SER  74 -23.171  -3.084  -3.084
  587    HG   SER  74           HG       SER  74 -25.672  -2.347  -2.347
  588    H    SER  75           HN       SER  75 -26.129  -3.419  -3.419
  589    HA   SER  75           HA       SER  75 -27.895  -2.048  -2.048
  590   1HB   SER  75           HB2      SER  75 -27.383  -1.204  -1.204
  591   2HB   SER  75           HB1      SER  75 -27.084   0.258   0.258
  592    HG   SER  75           HG       SER  75 -29.159   0.230   0.230
  593    H    GLN  76           HN       GLN  76 -24.578  -1.050  -1.050
  594    HA   GLN  76           HA       GLN  76 -24.979   1.219   1.219
  595   1HB   GLN  76           HB2      GLN  76 -22.780  -0.125  -0.125
  596   2HB   GLN  76           HB1      GLN  76 -22.342   0.678   0.678
  597   1HG   GLN  76           HG2      GLN  76 -22.297   2.610   2.610
  598   2HG   GLN  76           HG1      GLN  76 -24.052   2.477   2.477
  599   1HE2  GLN  76          HE22      GLN  76 -23.856   1.066   1.066
  600   2HE2  GLN  76          HE21      GLN  76 -24.756   0.921   0.921
  601    HA   PRO  77           HA       PRO  77 -23.080  -1.984  -1.984
  602   1HB   PRO  77           HB2      PRO  77 -23.057  -4.642  -4.642
  603   2HB   PRO  77           HB1      PRO  77 -21.713  -3.502  -3.502
  604   1HG   PRO  77           HG2      PRO  77 -23.848  -4.521  -4.521
  605   2HG   PRO  77           HG1      PRO  77 -22.159  -4.145  -4.145
  606   1HD   PRO  77           HD2      PRO  77 -24.346  -2.629  -2.629
  607   2HD   PRO  77           HD1      PRO  77 -22.682  -2.000  -2.000
  608    H    ARG  78           HN       ARG  78 -25.917  -2.704  -2.704
  609    HA   ARG  78           HA       ARG  78 -27.350  -3.475  -3.475
  610   1HB   ARG  78           HB2      ARG  78 -28.393  -5.346  -5.346
  611   2HB   ARG  78           HB1      ARG  78 -26.627  -5.558  -5.558
  612   1HG   ARG  78           HG2      ARG  78 -26.617  -4.403  -4.403
  613   2HG   ARG  78           HG1      ARG  78 -28.351  -4.661  -4.661
  614   1HD   ARG  78           HD2      ARG  78 -26.418  -6.942  -6.942
  615   2HD   ARG  78           HD1      ARG  78 -26.983  -6.492  -6.492
  616    HE   ARG  78           HE       ARG  78 -29.061  -6.851  -6.851
  617   1HH1  ARG  78          HH21      ARG  78 -30.569  -7.108  -7.108
  618   2HH1  ARG  78          HH22      ARG  78 -30.365  -8.693  -8.693
  619   1HH2  ARG  78          HH11      ARG  78 -27.405  -9.322  -9.322
  620   2HH2  ARG  78          HH12      ARG  78 -28.572  -9.946  -9.946
  621    H    GLY  79           HN       GLY  79 -27.439  -0.972  -0.972
  622   1HA   GLY  79           HA2      GLY  79 -30.348  -0.846  -0.846
  623   2HA   GLY  79           HA1      GLY  79 -29.382  -0.597  -0.597
  624    H    ASP  80           HN       ASP  80 -28.562   1.420   1.420
  625    HA   ASP  80           HA       ASP  80 -29.299   3.609   3.609
  626   1HB   ASP  80           HB2      ASP  80 -29.106   3.505   3.505
  627   2HB   ASP  80           HB1      ASP  80 -27.361   3.684   3.684
  628    HA   PRO  81           HA       PRO  81 -25.536   3.192   3.192
  629   1HB   PRO  81           HB2      PRO  81 -26.045   5.275   5.275
  630   2HB   PRO  81           HB1      PRO  81 -26.807   3.684   3.684
  631   1HG   PRO  81           HG2      PRO  81 -27.888   6.200   6.200
  632   2HG   PRO  81           HG1      PRO  81 -28.690   4.991   4.991
  633   1HD   PRO  81           HD2      PRO  81 -28.996   5.125   5.125
  634   2HD   PRO  81           HD1      PRO  81 -29.167   3.620   3.620
  635    H    THR  82           HN       THR  82 -24.148   3.880   3.880
  636    HA   THR  82           HA       THR  82 -23.907   6.665   6.665
  637    HB   THR  82           HB       THR  82 -21.632   5.535   5.535
  638    HG1  THR  82           HG1      THR  82 -21.568   3.528   3.528
  639   1HG2  THR  82          HG23      THR  82 -23.505   6.350   6.350
  640   2HG2  THR  82          HG22      THR  82 -24.398   4.867   4.867
  641   3HG2  THR  82          HG21      THR  82 -22.902   4.799   4.799
  642    H    GLY  83           HN       GLY  83 -21.451   4.554   4.554
  643   1HA   GLY  83           HA2      GLY  83 -20.756   6.598   6.598
  644   2HA   GLY  83           HA1      GLY  83 -19.690   6.447   6.447
  645    HA   PRO  84           HA       PRO  84 -18.132   2.939   2.939
  646   1HB   PRO  84           HB2      PRO  84 -15.805   2.754   2.754
  647   2HB   PRO  84           HB1      PRO  84 -16.112   4.022   4.022
  648   1HG   PRO  84           HG2      PRO  84 -15.911   4.279   4.279
  649   2HG   PRO  84           HG1      PRO  84 -16.087   5.560   5.560
  650   1HD   PRO  84           HD2      PRO  84 -18.115   4.254   4.254
  651   2HD   PRO  84           HD1      PRO  84 -18.193   5.863   5.863
  652    H    LYS  85           HN       LYS  85 -19.591   2.734   2.734
  653    HA   LYS  85           HA       LYS  85 -18.481   0.122   0.122
  654   1HB   LYS  85           HB2      LYS  85 -20.791   1.779   1.779
  655   2HB   LYS  85           HB1      LYS  85 -19.994   0.436   0.436
  656   1HG   LYS  85           HG2      LYS  85 -18.668   3.067   3.067
  657   2HG   LYS  85           HG1      LYS  85 -19.175   2.610   2.610
  658   1HD   LYS  85           HD2      LYS  85 -17.163   1.065   1.065
  659   2HD   LYS  85           HD1      LYS  85 -16.750   2.254   2.254
  660   1HE   LYS  85           HE2      LYS  85 -17.515   0.917   0.917
  661   2HE   LYS  85           HE1      LYS  85 -18.582  -0.044  -0.044
  662   1HZ   LYS  85           HZ3      LYS  85 -16.559  -0.814  -0.814
  663   2HZ   LYS  85           HZ2      LYS  85 -15.614  -0.060  -0.060
  664   3HZ   LYS  85           HZ1      LYS  85 -16.652  -1.339  -1.339
  665    H    GLU  86           HN       GLU  86 -20.367   0.805   0.805
  666    HA   GLU  86           HA       GLU  86 -22.733  -0.825  -0.825
  667   1HB   GLU  86           HB2      GLU  86 -21.383   0.359   0.359
  668   2HB   GLU  86           HB1      GLU  86 -22.945  -0.485  -0.485
  669   1HG   GLU  86           HG2      GLU  86 -23.777   1.099   1.099
  670   2HG   GLU  86           HG1      GLU  86 -22.260   2.024   2.024

  Start of MODEL    4
    1   1H    LEU   1           HT3      LEU   1 -23.218  20.633  20.633
    2   2H    LEU   1           HT2      LEU   1 -21.922  21.087  21.087
    3   3H    LEU   1           HT1      LEU   1 -23.502  21.045  21.045
    4    HA   LEU   1           HA       LEU   1 -22.517  19.088  19.088
    5   1HB   LEU   1           HB2      LEU   1 -21.106  17.712  17.712
    6   2HB   LEU   1           HB1      LEU   1 -20.561  19.394  19.394
    7    HG   LEU   1           HG       LEU   1 -22.559  19.004  19.004
    8   1HD1  LEU   1          HD11      LEU   1 -21.826  16.541  16.541
    9   2HD1  LEU   1          HD13      LEU   1 -20.348  17.012  17.012
   10   3HD1  LEU   1          HD12      LEU   1 -21.904  17.131  17.131
   11   1HD2  LEU   1          HD22      LEU   1 -20.514  20.530  20.530
   12   2HD2  LEU   1          HD21      LEU   1 -20.866  19.751  19.751
   13   3HD2  LEU   1          HD23      LEU   1 -19.580  19.125  19.125
   14    H    ASP   2           HN       ASP   2 -23.096  16.709  16.709
   15    HA   ASP   2           HA       ASP   2 -24.895  15.221  15.221
   16   1HB   ASP   2           HB2      ASP   2 -23.709  15.764  15.764
   17   2HB   ASP   2           HB1      ASP   2 -25.241  16.599  16.599
   18    HA   PRO   3           HA       PRO   3 -28.248  18.408  18.408
   19   1HB   PRO   3           HB2      PRO   3 -28.148  19.025  19.025
   20   2HB   PRO   3           HB1      PRO   3 -27.215  19.877  19.877
   21   1HG   PRO   3           HG2      PRO   3 -26.282  18.044  18.044
   22   2HG   PRO   3           HG1      PRO   3 -25.372  19.168  19.168
   23   1HD   PRO   3           HD2      PRO   3 -25.880  16.310  16.310
   24   2HD   PRO   3           HD1      PRO   3 -24.561  17.276  17.276
   25    H    VAL   4           HN       VAL   4 -28.126  17.081  17.081
   26    HA   VAL   4           HA       VAL   4 -30.632  15.611  15.611
   27    HB   VAL   4           HB       VAL   4 -28.489  16.049  16.049
   28   1HG1  VAL   4          HG12      VAL   4 -30.648  13.960  13.960
   29   2HG1  VAL   4          HG11      VAL   4 -30.123  14.832  14.832
   30   3HG1  VAL   4          HG13      VAL   4 -28.966  13.868  13.868
   31   1HG2  VAL   4          HG23      VAL   4 -30.155  17.771  17.771
   32   2HG2  VAL   4          HG22      VAL   4 -30.348  17.028  17.028
   33   3HG2  VAL   4          HG21      VAL   4 -31.450  16.607  16.607
   34    H    ASP   5           HN       ASP   5 -27.401  14.549  14.549
   35    HA   ASP   5           HA       ASP   5 -27.466  12.271  12.271
   36   1HB   ASP   5           HB2      ASP   5 -28.197  11.078  11.078
   37   2HB   ASP   5           HB1      ASP   5 -27.576  12.146  12.146
   38    HA   PRO   6           HA       PRO   6 -23.091  13.623  13.623
   39   1HB   PRO   6           HB2      PRO   6 -22.217  13.893  13.893
   40   2HB   PRO   6           HB1      PRO   6 -22.426  12.284  12.284
   41   1HG   PRO   6           HG2      PRO   6 -23.854  13.529  13.529
   42   2HG   PRO   6           HG1      PRO   6 -24.054  11.842  11.842
   43   1HD   PRO   6           HD2      PRO   6 -25.662  14.243  14.243
   44   2HD   PRO   6           HD1      PRO   6 -26.065  12.518  12.518
   45    H    ASN   7           HN       ASN   7 -21.745  15.553  15.553
   46    HA   ASN   7           HA       ASN   7 -23.122  17.987  17.987
   47   1HB   ASN   7           HB2      ASN   7 -20.611  17.276  17.276
   48   2HB   ASN   7           HB1      ASN   7 -21.162  18.956  18.956
   49   1HD2  ASN   7          HD22      ASN   7 -19.259  17.449  17.449
   50   2HD2  ASN   7          HD21      ASN   7 -19.299  16.664  16.664
   51    H    ILE   8           HN       ILE   8 -22.313  16.643  16.643
   52    HA   ILE   8           HA       ILE   8 -24.730  18.056  18.056
   53    HB   ILE   8           HB       ILE   8 -23.501  19.001  19.001
   54   1HG1  ILE   8          HG12      ILE   8 -22.201  17.086  17.086
   55   2HG1  ILE   8          HG11      ILE   8 -21.138  18.438  18.438
   56   1HG2  ILE   8          HG21      ILE   8 -22.983  19.944  19.944
   57   2HG2  ILE   8          HG23      ILE   8 -21.438  19.101  19.101
   58   3HG2  ILE   8          HG22      ILE   8 -21.851  20.357  20.357
   59   1HD1  ILE   8          HD12      ILE   8 -20.783  17.427  17.427
   60   2HD1  ILE   8          HD11      ILE   8 -21.461  15.955  15.955
   61   3HD1  ILE   8          HD13      ILE   8 -19.993  16.658  16.658
   62    H    GLU   9           HN       GLU   9 -24.047  15.159  15.159
   63    HA   GLU   9           HA       GLU   9 -24.306  13.013  13.013
   64   1HB   GLU   9           HB2      GLU   9 -26.028  14.804  14.804
   65   2HB   GLU   9           HB1      GLU   9 -25.988  13.035  13.035
   66   1HG   GLU   9           HG2      GLU   9 -27.101  12.740  12.740
   67   2HG   GLU   9           HG1      GLU   9 -26.336  14.120  14.120
   68    HA   PRO  10           HA       PRO  10 -21.268  13.973  13.973
   69   1HB   PRO  10           HB2      PRO  10 -18.948  13.533  13.533
   70   2HB   PRO  10           HB1      PRO  10 -20.167  14.932  14.932
   71   1HG   PRO  10           HG2      PRO  10 -19.640  12.929  12.929
   72   2HG   PRO  10           HG1      PRO  10 -19.940  14.668  14.668
   73   1HD   PRO  10           HD2      PRO  10 -21.829  12.533  12.533
   74   2HD   PRO  10           HD1      PRO  10 -22.092  14.283  14.283
   75    H    TRP  11           HN       TRP  11 -22.657  11.329  11.329
   76    HA   TRP  11           HA       TRP  11 -20.464   9.413   9.413
   77   1HB   TRP  11           HB2      TRP  11 -23.221   8.867   8.867
   78   2HB   TRP  11           HB1      TRP  11 -21.884   7.722   7.722
   79    HD1  TRP  11           HD1      TRP  11 -22.623  11.094  11.094
   80    HE1  TRP  11           HE1      TRP  11 -21.469  11.078  11.078
   81    HE3  TRP  11           HE3      TRP  11 -20.303   6.549   6.549
   82    HZ2  TRP  11           HZ2      TRP  11 -19.784   9.352   9.352
   83    HZ3  TRP  11           HZ3      TRP  11 -18.941   5.755   5.755
   84    HH2  TRP  11           HH2      TRP  11 -18.682   7.144   7.144
   85    H    ASN  12           HN       ASN  12 -22.425  11.231  11.231
   86    HA   ASN  12           HA       ASN  12 -23.546   9.040   9.040
   87   1HB   ASN  12           HB2      ASN  12 -24.571  11.884  11.884
   88   2HB   ASN  12           HB1      ASN  12 -25.428  10.371  10.371
   89   1HD2  ASN  12          HD22      ASN  12 -24.875  11.461  11.461
   90   2HD2  ASN  12          HD21      ASN  12 -23.886  12.132  12.132
   91    H    HIS  13           HN       HIS  13 -22.596   8.897   8.897
   92    HA   HIS  13           HA       HIS  13 -21.476  11.359  11.359
   93   1HB   HIS  13           HB2      HIS  13 -20.143   8.654   8.654
   94   2HB   HIS  13           HB1      HIS  13 -19.449   9.953   9.953
   95    HD1  HIS  13           HD1      HIS  13 -18.945  12.240  12.240
   96    HD2  HIS  13           HD2      HIS  13 -19.614   8.827   8.827
   97    HE1  HIS  13           HE1      HIS  13 -18.063  12.753  12.753
   98    HA   PRO  14           HA       PRO  14 -23.208   9.632   9.632
   99   1HB   PRO  14           HB2      PRO  14 -21.301  10.398  10.398
  100   2HB   PRO  14           HB1      PRO  14 -22.463  11.529  11.529
  101   1HG   PRO  14           HG2      PRO  14 -19.632  10.951  10.951
  102   2HG   PRO  14           HG1      PRO  14 -20.468  12.508  12.508
  103   1HD   PRO  14           HD2      PRO  14 -19.712  10.753  10.753
  104   2HD   PRO  14           HD1      PRO  14 -20.830  12.150  12.150
  105    H    GLY  15           HN       GLY  15 -19.962   8.745   8.745
  106   1HA   GLY  15           HA2      GLY  15 -18.778   6.841   6.841
  107   2HA   GLY  15           HA1      GLY  15 -20.203   5.994   5.994
  108    H    SER  16           HN       SER  16 -18.857   9.023   9.023
  109    HA   SER  16           HA       SER  16 -17.416   7.719   7.719
  110   1HB   SER  16           HB2      SER  16 -19.906   7.898   7.898
  111   2HB   SER  16           HB1      SER  16 -19.670   9.639   9.639
  112    HG   SER  16           HG       SER  16 -18.965   9.448   9.448
  113    H    GLN  17           HN       GLN  17 -17.351  10.074  10.074
  114    HA   GLN  17           HA       GLN  17 -15.576  11.795  11.795
  115   1HB   GLN  17           HB2      GLN  17 -18.057  12.690  12.690
  116   2HB   GLN  17           HB1      GLN  17 -16.585  13.687  13.687
  117   1HG   GLN  17           HG2      GLN  17 -17.480  14.131  14.131
  118   2HG   GLN  17           HG1      GLN  17 -17.212  12.464  12.464
  119   1HE2  GLN  17          HE22      GLN  17 -20.701  11.892  11.892
  120   2HE2  GLN  17          HE21      GLN  17 -19.126  11.473  11.473
  121    HA   PRO  18           HA       PRO  18 -14.646  12.789  12.789
  122   1HB   PRO  18           HB2      PRO  18 -15.952  11.248  11.248
  123   2HB   PRO  18           HB1      PRO  18 -16.537  12.838  12.838
  124   1HG   PRO  18           HG2      PRO  18 -17.292  10.096  10.096
  125   2HG   PRO  18           HG1      PRO  18 -18.345  11.460  11.460
  126   1HD   PRO  18           HD2      PRO  18 -17.943  10.953  10.953
  127   2HD   PRO  18           HD1      PRO  18 -17.853  12.650  12.650
  128    H    LYS  19           HN       LYS  19 -15.290   9.551   9.551
  129    HA   LYS  19           HA       LYS  19 -12.631   8.683   8.683
  130   1HB   LYS  19           HB2      LYS  19 -13.711   6.481   6.481
  131   2HB   LYS  19           HB1      LYS  19 -14.421   7.788   7.788
  132   1HG   LYS  19           HG2      LYS  19 -16.299   7.950   7.950
  133   2HG   LYS  19           HG1      LYS  19 -15.583   6.716   6.716
  134   1HD   LYS  19           HD2      LYS  19 -15.832   5.813   5.813
  135   2HD   LYS  19           HD1      LYS  19 -17.375   6.279   6.279
  136   1HE   LYS  19           HE2      LYS  19 -16.953   4.823   4.823
  137   2HE   LYS  19           HE1      LYS  19 -15.400   4.325   4.325
  138   1HZ   LYS  19           HZ2      LYS  19 -16.686   3.719   3.719
  139   2HZ   LYS  19           HZ1      LYS  19 -18.120   3.986   3.986
  140   3HZ   LYS  19           HZ3      LYS  19 -17.059   2.753   2.753
  141    H    THR  20           HN       THR  20 -13.249   9.739   9.739
  142    HA   THR  20           HA       THR  20 -12.567   7.427   7.427
  143    HB   THR  20           HB       THR  20 -15.119   9.026   9.026
  144    HG1  THR  20           HG1      THR  20 -15.769   7.213   7.213
  145   1HG2  THR  20          HG23      THR  20 -13.916   7.418   7.418
  146   2HG2  THR  20          HG22      THR  20 -15.634   7.806   7.806
  147   3HG2  THR  20          HG21      THR  20 -14.442   9.101   9.101
  148    H    ALA  21           HN       ALA  21 -13.690  10.830  10.830
  149    HA   ALA  21           HA       ALA  21 -12.370  11.461  11.461
  150   1HB   ALA  21           HB2      ALA  21 -14.400  12.540  12.540
  151   2HB   ALA  21           HB1      ALA  21 -13.447  13.219  13.219
  152   3HB   ALA  21           HB3      ALA  21 -13.141  13.726  13.726
  153    H    SER  22           HN       SER  22 -10.577  10.533  10.533
  154    HA   SER  22           HA       SER  22  -8.483  11.131  11.131
  155   1HB   SER  22           HB2      SER  22  -8.662  11.774  11.774
  156   2HB   SER  22           HB1      SER  22  -7.609  12.973  12.973
  157    HG   SER  22           HG       SER  22  -6.288  11.379  11.379
  158    H    ASN  23           HN       ASN  23 -10.921  12.814  12.814
  159    HA   ASN  23           HA       ASN  23 -10.138  15.585  15.585
  160   1HB   ASN  23           HB2      ASN  23 -12.388  15.840  15.840
  161   2HB   ASN  23           HB1      ASN  23 -12.447  14.287  14.287
  162   1HD2  ASN  23          HD22      ASN  23 -12.603  12.243  12.243
  163   2HD2  ASN  23          HD21      ASN  23 -11.697  12.311  12.311
  164    H    ARG  24           HN       ARG  24  -9.749  12.855  12.855
  165    HA   ARG  24           HA       ARG  24  -7.849  14.193  14.193
  166   1HB   ARG  24           HB2      ARG  24  -9.535  14.239  14.239
  167   2HB   ARG  24           HB1      ARG  24  -9.379  15.613  15.613
  168   1HG   ARG  24           HG2      ARG  24 -11.484  15.387  15.387
  169   2HG   ARG  24           HG1      ARG  24 -11.317  13.617  13.617
  170   1HD   ARG  24           HD2      ARG  24 -12.849  13.673  13.673
  171   2HD   ARG  24           HD1      ARG  24 -11.410  13.632  13.632
  172    HE   ARG  24           HE       ARG  24 -11.795  15.997  15.997
  173   1HH1  ARG  24          HH21      ARG  24 -12.415  17.600  17.600
  174   2HH1  ARG  24          HH22      ARG  24 -14.140  17.705  17.705
  175   1HH2  ARG  24          HH11      ARG  24 -14.706  14.871  14.871
  176   2HH2  ARG  24          HH12      ARG  24 -15.440  16.154  16.154
  177    H    ALA  25           HN       ALA  25 -10.330  12.356  12.356
  178    HA   ALA  25           HA       ALA  25 -10.331  10.189  10.189
  179   1HB   ALA  25           HB3      ALA  25 -10.020   9.888   9.888
  180   2HB   ALA  25           HB2      ALA  25  -8.369   9.437   9.437
  181   3HB   ALA  25           HB1      ALA  25  -9.729   8.510   8.510
  182    H    HIS  26           HN       HIS  26  -8.726  11.775  11.775
  183    HA   HIS  26           HA       HIS  26  -6.721   9.939   9.939
  184   1HB   HIS  26           HB2      HIS  26  -4.838  11.742  11.742
  185   2HB   HIS  26           HB1      HIS  26  -5.275  10.619  10.619
  186    HD1  HIS  26           HD1      HIS  26  -3.979  12.784  12.784
  187    HD2  HIS  26           HD2      HIS  26  -7.954  13.273  13.273
  188    HE1  HIS  26           HE1      HIS  26  -4.887  14.721  14.721
  189    H    ALA  27           HN       ALA  27  -7.548  13.447  13.447
  190    HA   ALA  27           HA       ALA  27  -6.942  13.596  13.596
  191   1HB   ALA  27           HB1      ALA  27  -7.952  15.546  15.546
  192   2HB   ALA  27           HB3      ALA  27  -7.647  15.997  15.997
  193   3HB   ALA  27           HB2      ALA  27  -6.318  15.445  15.445
  194    H    LYS  28           HN       LYS  28  -9.646  12.867  12.867
  195    HA   LYS  28           HA       LYS  28 -11.794  13.889  13.889
  196   1HB   LYS  28           HB2      LYS  28 -12.202  13.382  13.382
  197   2HB   LYS  28           HB1      LYS  28 -11.406  11.806  11.806
  198   1HG   LYS  28           HG2      LYS  28 -13.368  11.282  11.282
  199   2HG   LYS  28           HG1      LYS  28 -14.183  12.653  12.653
  200   1HD   LYS  28           HD2      LYS  28 -13.286   9.995   9.995
  201   2HD   LYS  28           HD1      LYS  28 -14.879  10.743  10.743
  202   1HE   LYS  28           HE2      LYS  28 -13.811  12.545  12.545
  203   2HE   LYS  28           HE1      LYS  28 -12.366  11.511  11.511
  204   1HZ   LYS  28           HZ2      LYS  28 -13.765   9.648   9.648
  205   2HZ   LYS  28           HZ1      LYS  28 -15.104  10.690  10.690
  206   3HZ   LYS  28           HZ3      LYS  28 -13.777  10.912  10.912
  207    H    LYS  29           HN       LYS  29 -10.666  10.519  10.519
  208    HA   LYS  29           HA       LYS  29 -11.866   9.745   9.745
  209   1HB   LYS  29           HB2      LYS  29 -12.015   7.655   7.655
  210   2HB   LYS  29           HB1      LYS  29 -11.905   8.576   8.576
  211   1HG   LYS  29           HG2      LYS  29  -9.450   7.407   7.407
  212   2HG   LYS  29           HG1      LYS  29 -10.370   6.579   6.579
  213   1HD   LYS  29           HD2      LYS  29  -9.976   9.070   9.070
  214   2HD   LYS  29           HD1      LYS  29  -8.495   8.805   8.805
  215   1HE   LYS  29           HE2      LYS  29  -8.081   7.837   7.837
  216   2HE   LYS  29           HE1      LYS  29  -8.540   6.425   6.425
  217   1HZ   LYS  29           HZ1      LYS  29 -10.846   6.784   6.784
  218   2HZ   LYS  29           HZ3      LYS  29 -10.337   8.070   8.070
  219   3HZ   LYS  29           HZ2      LYS  29  -9.821   6.487   6.487
  220    H    SER  30           HN       SER  30  -8.768  10.473  10.473
  221    HA   SER  30           HA       SER  30  -6.548  10.098  10.098
  222   1HB   SER  30           HB2      SER  30  -7.707  12.039  12.039
  223   2HB   SER  30           HB1      SER  30  -7.910  11.007  11.007
  224    HG   SER  30           HG       SER  30  -5.972  11.761  11.761
  225    H    ALA  31           HN       ALA  31  -6.773   9.582   9.582
  226    HA   ALA  31           HA       ALA  31  -7.062   6.622   6.622
  227   1HB   ALA  31           HB1      ALA  31  -4.613   8.145   8.145
  228   2HB   ALA  31           HB3      ALA  31  -4.827   6.399   6.399
  229   3HB   ALA  31           HB2      ALA  31  -4.711   7.167   7.167
  230    H    TYR  32           HN       TYR  32  -9.022   7.584   7.584
  231    HA   TYR  32           HA       TYR  32  -8.486   7.317   7.317
  232   1HB   TYR  32           HB2      TYR  32  -9.774   9.491   9.491
  233   2HB   TYR  32           HB1      TYR  32  -8.164   9.759   9.759
  234    HD1  TYR  32           HD1      TYR  32  -8.536   9.908   9.908
  235    HD2  TYR  32           HD2      TYR  32 -11.608  10.384  10.384
  236    HE1  TYR  32           HE1      TYR  32  -9.924  11.143  11.143
  237    HE2  TYR  32           HE2      TYR  32 -13.004  11.599  11.599
  238    HH   TYR  32           HH       TYR  32 -12.472  11.567  11.567
  239    H    HIS  33           HN       HIS  33  -9.700   5.491   5.491
  240    HA   HIS  33           HA       HIS  33 -11.624   4.157   4.157
  241   1HB   HIS  33           HB2      HIS  33 -12.620   6.287   6.287
  242   2HB   HIS  33           HB1      HIS  33 -13.536   4.887   4.887
  243    HD1  HIS  33           HD1      HIS  33 -12.734   2.535   2.535
  244    HD2  HIS  33           HD2      HIS  33 -10.507   5.638   5.638
  245    HE1  HIS  33           HE1      HIS  33 -11.338   1.502   1.502
  246    H    SER  34           HN       SER  34 -11.277   7.151   7.151
  247    HA   SER  34           HA       SER  34 -12.347   8.331   8.331
  248   1HB   SER  34           HB2      SER  34 -13.511   5.586   5.586
  249   2HB   SER  34           HB1      SER  34 -13.544   6.829   6.829
  250    HG   SER  34           HG       SER  34 -11.747   5.263   5.263
  251    H    GLN  35           HN       GLN  35 -13.606   9.671   9.671
  252    HA   GLN  35           HA       GLN  35 -16.490   8.893   8.893
  253   1HB   GLN  35           HB2      GLN  35 -14.821  10.984  10.984
  254   2HB   GLN  35           HB1      GLN  35 -16.493  10.529  10.529
  255   1HG   GLN  35           HG2      GLN  35 -14.006   8.817   8.817
  256   2HG   GLN  35           HG1      GLN  35 -15.098   9.401   9.401
  257   1HE2  GLN  35          HE22      GLN  35 -15.928   5.868   5.868
  258   2HE2  GLN  35          HE21      GLN  35 -14.396   6.618   6.618
  259    H    VAL  36           HN       VAL  36 -14.287  11.537  11.537
  260    HA   VAL  36           HA       VAL  36 -14.560  13.364  13.364
  261    HB   VAL  36           HB       VAL  36 -17.067  11.955  11.955
  262   1HG1  VAL  36          HG13      VAL  36 -15.024  13.723  13.723
  263   2HG1  VAL  36          HG12      VAL  36 -16.233  12.800  12.800
  264   3HG1  VAL  36          HG11      VAL  36 -16.740  14.039  14.039
  265   1HG2  VAL  36          HG22      VAL  36 -15.138  10.290  10.290
  266   2HG2  VAL  36          HG21      VAL  36 -15.876  10.548  10.548
  267   3HG2  VAL  36          HG23      VAL  36 -14.333  11.310  11.310
  268    H    ALA  37           HN       ALA  37 -15.222  14.296  14.296
  269    HA   ALA  37           HA       ALA  37 -16.603  15.756  15.756
  270   1HB   ALA  37           HB3      ALA  37 -16.228  16.859  16.859
  271   2HB   ALA  37           HB2      ALA  37 -17.836  16.284  16.284
  272   3HB   ALA  37           HB1      ALA  37 -17.640  17.420  17.420
  273    H    PHE  38           HN       PHE  38 -17.560  13.321  13.321
  274    HA   PHE  38           HA       PHE  38 -20.371  13.101  13.101
  275   1HB   PHE  38           HB2      PHE  38 -20.234  10.892  10.892
  276   2HB   PHE  38           HB1      PHE  38 -18.691  11.196  11.196
  277    HD1  PHE  38           HD1      PHE  38 -17.585  12.932  12.932
  278    HD2  PHE  38           HD2      PHE  38 -19.590   9.141   9.141
  279    HE1  PHE  38           HE1      PHE  38 -16.499  12.215  12.215
  280    HE2  PHE  38           HE2      PHE  38 -18.498   8.432   8.432
  281    HZ   PHE  38           HZ       PHE  38 -16.951   9.969   9.969
  282    H    ILE  39           HN       ILE  39 -20.969  11.705  11.705
  283    HA   ILE  39           HA       ILE  39 -22.515  13.773  13.773
  284    HB   ILE  39           HB       ILE  39 -22.751  12.142  12.142
  285   1HG1  ILE  39          HG12      ILE  39 -21.299  10.000  10.000
  286   2HG1  ILE  39          HG11      ILE  39 -20.162  11.196  11.196
  287   1HG2  ILE  39          HG21      ILE  39 -23.415  11.833  11.833
  288   2HG2  ILE  39          HG23      ILE  39 -23.003  10.239  10.239
  289   3HG2  ILE  39          HG22      ILE  39 -24.269  11.188  11.188
  290   1HD1  ILE  39          HD13      ILE  39 -22.320  10.422  10.422
  291   2HD1  ILE  39          HD12      ILE  39 -20.996   9.292   9.292
  292   3HD1  ILE  39          HD11      ILE  39 -20.658  10.909  10.909
  293    H    THR  40           HN       THR  40 -19.232  12.707  12.707
  294    HA   THR  40           HA       THR  40 -19.267  14.926  14.926
  295    HB   THR  40           HB       THR  40 -17.559  12.416  12.416
  296    HG1  THR  40           HG1      THR  40 -19.708  13.087  13.087
  297   1HG2  THR  40          HG23      THR  40 -17.035  14.773  14.773
  298   2HG2  THR  40          HG22      THR  40 -17.708  13.666  13.666
  299   3HG2  THR  40          HG21      THR  40 -16.285  13.197  13.197
  300    H    LYS  41           HN       LYS  41 -17.591  16.461  16.461
  301    HA   LYS  41           HA       LYS  41 -16.273  16.954  16.954
  302   1HB   LYS  41           HB2      LYS  41 -15.390  18.877  18.877
  303   2HB   LYS  41           HB1      LYS  41 -17.050  18.632  18.632
  304   1HG   LYS  41           HG2      LYS  41 -16.348  18.488  18.488
  305   2HG   LYS  41           HG1      LYS  41 -15.332  17.112  17.112
  306   1HD   LYS  41           HD2      LYS  41 -14.590  20.046  20.046
  307   2HD   LYS  41           HD1      LYS  41 -14.006  18.946  18.946
  308   1HE   LYS  41           HE2      LYS  41 -13.580  18.140  18.140
  309   2HE   LYS  41           HE1      LYS  41 -12.550  19.412  19.412
  310   1HZ   LYS  41           HZ2      LYS  41 -13.134  16.881  16.881
  311   2HZ   LYS  41           HZ1      LYS  41 -11.844  17.001  17.001
  312   3HZ   LYS  41           HZ3      LYS  41 -11.872  17.981  17.981
  313    H    GLY  42           HN       GLY  42 -15.398  15.088  15.088
  314   1HA   GLY  42           HA2      GLY  42 -12.520  15.196  15.196
  315   2HA   GLY  42           HA1      GLY  42 -13.385  13.991  13.991
  316    H    LEU  43           HN       LEU  43 -14.657  14.045  14.045
  317    HA   LEU  43           HA       LEU  43 -14.344  12.689  12.689
  318   1HB   LEU  43           HB2      LEU  43 -11.666  13.444  13.444
  319   2HB   LEU  43           HB1      LEU  43 -11.644  11.999  11.999
  320    HG   LEU  43           HG       LEU  43 -12.673  13.246  13.246
  321   1HD1  LEU  43          HD13      LEU  43 -14.291  14.495  14.495
  322   2HD1  LEU  43          HD12      LEU  43 -13.004  15.637  15.637
  323   3HD1  LEU  43          HD11      LEU  43 -13.512  15.407  15.407
  324   1HD2  LEU  43          HD23      LEU  43 -10.213  13.686  13.686
  325   2HD2  LEU  43          HD22      LEU  43 -10.986  15.103  15.103
  326   3HD2  LEU  43          HD21      LEU  43 -10.699  15.034  15.034
  327    H    GLY  44           HN       GLY  44 -14.921  11.447  11.447
  328   1HA   GLY  44           HA2      GLY  44 -15.159   9.191   9.191
  329   2HA   GLY  44           HA1      GLY  44 -14.827   8.714   8.714
  330    H    ILE  45           HN       ILE  45 -12.441  10.713  10.713
  331    HA   ILE  45           HA       ILE  45 -10.361   8.800   8.800
  332    HB   ILE  45           HB       ILE  45  -9.136  10.403  10.403
  333   1HG1  ILE  45          HG12      ILE  45 -10.730  12.611  12.611
  334   2HG1  ILE  45          HG11      ILE  45 -11.920  11.334  11.334
  335   1HG2  ILE  45          HG21      ILE  45 -10.560  11.183  11.183
  336   2HG2  ILE  45          HG23      ILE  45  -9.603  12.393  12.393
  337   3HG2  ILE  45          HG22      ILE  45  -8.838  10.915  10.915
  338   1HD1  ILE  45          HD12      ILE  45  -9.524  10.858  10.858
  339   2HD1  ILE  45          HD11      ILE  45  -9.859  12.585  12.585
  340   3HD1  ILE  45          HD13      ILE  45 -11.074  11.414  11.414
  341    H    SER  46           HN       SER  46 -12.041   9.768   9.768
  342    HA   SER  46           HA       SER  46 -12.086   7.098   7.098
  343   1HB   SER  46           HB2      SER  46 -10.245   7.297   7.297
  344   2HB   SER  46           HB1      SER  46  -9.596   7.455   7.455
  345    HG   SER  46           HG       SER  46  -9.339   9.134   9.134
  346    H    TYR  47           HN       TYR  47 -13.710   9.706   9.706
  347    HA   TYR  47           HA       TYR  47 -13.761  10.590  10.590
  348   1HB   TYR  47           HB2      TYR  47 -15.682  11.935  11.935
  349   2HB   TYR  47           HB1      TYR  47 -14.350  12.009  12.009
  350    HD1  TYR  47           HD1      TYR  47 -17.530  10.149  10.149
  351    HD2  TYR  47           HD2      TYR  47 -14.640  11.444  11.444
  352    HE1  TYR  47           HE1      TYR  47 -18.996   9.347   9.347
  353    HE2  TYR  47           HE2      TYR  47 -16.096  10.645  10.645
  354    HH   TYR  47           HH       TYR  47 -18.771   8.612   8.612
  355    H    GLY  48           HN       GLY  48 -15.100   7.900   7.900
  356   1HA   GLY  48           HA2      GLY  48 -16.160   6.139   6.139
  357   2HA   GLY  48           HA1      GLY  48 -17.023   7.398   7.398
  358    H    ARG  49           HN       ARG  49 -16.537   6.219   6.219
  359    HA   ARG  49           HA       ARG  49 -18.850   7.437   7.437
  360   1HB   ARG  49           HB2      ARG  49 -17.306   4.943   4.943
  361   2HB   ARG  49           HB1      ARG  49 -18.412   5.861   5.861
  362   1HG   ARG  49           HG2      ARG  49 -16.952   7.743   7.743
  363   2HG   ARG  49           HG1      ARG  49 -15.930   7.047   7.047
  364   1HD   ARG  49           HD2      ARG  49 -14.740   6.593   6.593
  365   2HD   ARG  49           HD1      ARG  49 -15.624   5.084   5.084
  366    HE   ARG  49           HE       ARG  49 -16.971   7.205   7.205
  367   1HH1  ARG  49          HH21      ARG  49 -18.526   5.361   5.361
  368   2HH1  ARG  49          HH22      ARG  49 -17.706   4.282   4.282
  369   1HH2  ARG  49          HH11      ARG  49 -14.529   5.287   5.287
  370   2HH2  ARG  49          HH12      ARG  49 -15.440   4.239   4.239
  371    H    LYS  50           HN       LYS  50 -20.786   6.256   6.256
  372    HA   LYS  50           HA       LYS  50 -21.639   4.098   4.098
  373   1HB   LYS  50           HB2      LYS  50 -23.914   5.120   5.120
  374   2HB   LYS  50           HB1      LYS  50 -22.728   6.201   6.201
  375   1HG   LYS  50           HG2      LYS  50 -22.906   6.323   6.323
  376   2HG   LYS  50           HG1      LYS  50 -24.348   6.861   6.861
  377   1HD   LYS  50           HD2      LYS  50 -21.513   7.885   7.885
  378   2HD   LYS  50           HD1      LYS  50 -22.714   8.687   8.687
  379   1HE   LYS  50           HE2      LYS  50 -24.230   8.512   8.512
  380   2HE   LYS  50           HE1      LYS  50 -22.666   8.229   8.229
  381   1HZ   LYS  50           HZ3      LYS  50 -23.204  10.483  10.483
  382   2HZ   LYS  50           HZ2      LYS  50 -23.231  10.620  10.620
  383   3HZ   LYS  50           HZ1      LYS  50 -21.786  10.219  10.219
  384    H    LYS  51           HN       LYS  51 -21.080   4.881   4.881
  385    HA   LYS  51           HA       LYS  51 -21.340   3.611   3.611
  386   1HB   LYS  51           HB2      LYS  51 -22.573   1.512   1.512
  387   2HB   LYS  51           HB1      LYS  51 -21.993   1.302   1.302
  388   1HG   LYS  51           HG2      LYS  51 -19.996   2.641   2.641
  389   2HG   LYS  51           HG1      LYS  51 -20.415   1.057   1.057
  390   1HD   LYS  51           HD2      LYS  51 -18.923   0.267   0.267
  391   2HD   LYS  51           HD1      LYS  51 -20.161   0.570   0.570
  392   1HE   LYS  51           HE2      LYS  51 -19.182   2.553   2.553
  393   2HE   LYS  51           HE1      LYS  51 -18.375   2.860   2.860
  394   1HZ   LYS  51           HZ3      LYS  51 -17.737   0.623   0.623
  395   2HZ   LYS  51           HZ2      LYS  51 -16.798   2.022   2.022
  396   3HZ   LYS  51           HZ1      LYS  51 -16.979   0.916   0.916
  397    H    ARG  52           HN       ARG  52 -24.269   3.350   3.350
  398    HA   ARG  52           HA       ARG  52 -26.053   3.199   3.199
  399   1HB   ARG  52           HB2      ARG  52 -26.762   3.849   3.849
  400   2HB   ARG  52           HB1      ARG  52 -27.769   3.057   3.057
  401   1HG   ARG  52           HG2      ARG  52 -25.399   2.011   2.011
  402   2HG   ARG  52           HG1      ARG  52 -27.015   1.295   1.295
  403   1HD   ARG  52           HD2      ARG  52 -24.802   1.284   1.284
  404   2HD   ARG  52           HD1      ARG  52 -25.574  -0.090  -0.090
  405    HE   ARG  52           HE       ARG  52 -26.634   1.297   1.297
  406   1HH1  ARG  52          HH21      ARG  52 -28.943   2.201   2.201
  407   2HH1  ARG  52          HH22      ARG  52 -29.962   0.899   0.899
  408   1HH2  ARG  52          HH11      ARG  52 -27.351  -1.368  -1.368
  409   2HH2  ARG  52          HH12      ARG  52 -29.059  -1.124  -1.124
  410    H    ARG  53           HN       ARG  53 -24.337   5.768   5.768
  411    HA   ARG  53           HA       ARG  53 -26.145   7.920   7.920
  412   1HB   ARG  53           HB2      ARG  53 -24.182   9.283   9.283
  413   2HB   ARG  53           HB1      ARG  53 -23.683   7.918   7.918
  414   1HG   ARG  53           HG2      ARG  53 -23.503   7.438   7.438
  415   2HG   ARG  53           HG1      ARG  53 -22.435   8.670   8.670
  416   1HD   ARG  53           HD2      ARG  53 -21.874   6.845   6.845
  417   2HD   ARG  53           HD1      ARG  53 -22.589   5.767   5.767
  418    HE   ARG  53           HE       ARG  53 -20.073   7.190   7.190
  419   1HH1  ARG  53          HH21      ARG  53 -21.462   8.337   8.337
  420   2HH1  ARG  53          HH22      ARG  53 -21.299   7.134   7.134
  421   1HH2  ARG  53          HH11      ARG  53 -20.457   4.592   4.592
  422   2HH2  ARG  53          HH12      ARG  53 -20.729   5.010   5.010
  423    H    GLN  54           HN       GLN  54 -25.032   6.211   6.211
  424    HA   GLN  54           HA       GLN  54 -25.589   8.164   8.164
  425   1HB   GLN  54           HB2      GLN  54 -25.790   5.122   5.122
  426   2HB   GLN  54           HB1      GLN  54 -25.680   6.211   6.211
  427   1HG   GLN  54           HG2      GLN  54 -23.523   7.052   7.052
  428   2HG   GLN  54           HG1      GLN  54 -23.542   5.988   5.988
  429   1HE2  GLN  54          HE22      GLN  54 -23.165   2.992   2.992
  430   2HE2  GLN  54          HE21      GLN  54 -24.085   3.536   3.536
  431    H    ARG  55           HN       ARG  55 -27.702   5.817   5.817
  432    HA   ARG  55           HA       ARG  55 -30.058   5.612   5.612
  433   1HB   ARG  55           HB2      ARG  55 -29.804   8.508   8.508
  434   2HB   ARG  55           HB1      ARG  55 -31.259   7.758   7.758
  435   1HG   ARG  55           HG2      ARG  55 -30.301   7.390   7.390
  436   2HG   ARG  55           HG1      ARG  55 -28.703   7.884   7.884
  437   1HD   ARG  55           HD2      ARG  55 -29.672  10.165  10.165
  438   2HD   ARG  55           HD1      ARG  55 -31.154   9.641   9.641
  439    HE   ARG  55           HE       ARG  55 -28.938   9.024   9.024
  440   1HH1  ARG  55          HH11      ARG  55 -31.361  10.632  10.632
  441   2HH1  ARG  55          HH12      ARG  55 -30.654  12.169  12.169
  442   1HH2  ARG  55          HH21      ARG  55 -27.669  11.489  11.489
  443   2HH2  ARG  55          HH22      ARG  55 -28.557  12.656  12.656
  444    H    ARG  56           HN       ARG  56 -28.400   5.208   5.208
  445    HA   ARG  56           HA       ARG  56 -30.707   4.717   4.717
  446   1HB   ARG  56           HB2      ARG  56 -29.961   6.188   6.188
  447   2HB   ARG  56           HB1      ARG  56 -29.986   7.143   7.143
  448   1HG   ARG  56           HG2      ARG  56 -27.432   6.079   6.079
  449   2HG   ARG  56           HG1      ARG  56 -27.707   6.304   6.304
  450   1HD   ARG  56           HD2      ARG  56 -28.413   8.474   8.474
  451   2HD   ARG  56           HD1      ARG  56 -26.720   8.269   8.269
  452    HE   ARG  56           HE       ARG  56 -28.139   8.165   8.165
  453   1HH1  ARG  56          HH11      ARG  56 -29.822   9.930   9.930
  454   2HH1  ARG  56          HH12      ARG  56 -29.556  11.485  11.485
  455   1HH2  ARG  56          HH21      ARG  56 -27.074  10.362  10.362
  456   2HH2  ARG  56          HH22      ARG  56 -28.003  11.726  11.726
  457    H    ARG  57           HN       ARG  57 -28.865   2.974   2.974
  458    HA   ARG  57           HA       ARG  57 -26.571   2.175   2.175
  459   1HB   ARG  57           HB2      ARG  57 -27.350   1.403   1.403
  460   2HB   ARG  57           HB1      ARG  57 -28.639   0.464   0.464
  461   1HG   ARG  57           HG2      ARG  57 -26.975  -1.141  -1.141
  462   2HG   ARG  57           HG1      ARG  57 -26.682  -0.612  -0.612
  463   1HD   ARG  57           HD2      ARG  57 -24.949   0.968   0.968
  464   2HD   ARG  57           HD1      ARG  57 -25.224   0.358   0.358
  465    HE   ARG  57           HE       ARG  57 -24.444  -1.478  -1.478
  466   1HH1  ARG  57          HH11      ARG  57 -25.146  -1.955  -1.955
  467   2HH1  ARG  57          HH12      ARG  57 -23.569  -2.415  -2.415
  468   1HH2  ARG  57          HH21      ARG  57 -21.960  -1.365  -1.365
  469   2HH2  ARG  57          HH22      ARG  57 -21.762  -2.082  -2.082
  470    HA   PRO  58           HA       PRO  58 -29.323  -0.658  -0.658
  471   1HB   PRO  58           HB2      PRO  58 -31.999  -0.082  -0.082
  472   2HB   PRO  58           HB1      PRO  58 -31.320  -1.214  -1.214
  473   1HG   PRO  58           HG2      PRO  58 -32.168   1.625   1.625
  474   2HG   PRO  58           HG1      PRO  58 -32.337   0.255   0.255
  475   1HD   PRO  58           HD2      PRO  58 -30.501   2.196   2.196
  476   2HD   PRO  58           HD1      PRO  58 -30.257   0.594   0.594
  477    H    SER  59           HN       SER  59 -29.520   2.785   2.785
  478    HA   SER  59           HA       SER  59 -30.602   3.234   3.234
  479   1HB   SER  59           HB2      SER  59 -29.083   5.021   5.021
  480   2HB   SER  59           HB1      SER  59 -29.896   5.541   5.541
  481    HG   SER  59           HG       SER  59 -31.667   5.601   5.601
  482    H    GLN  60           HN       GLN  60 -29.330   4.336   4.336
  483    HA   GLN  60           HA       GLN  60 -26.597   4.693   4.693
  484   1HB   GLN  60           HB2      GLN  60 -26.202   2.410   2.410
  485   2HB   GLN  60           HB1      GLN  60 -27.334   1.743   1.743
  486   1HG   GLN  60           HG2      GLN  60 -25.604   2.943   2.943
  487   2HG   GLN  60           HG1      GLN  60 -24.659   3.218   3.218
  488   1HE2  GLN  60          HE22      GLN  60 -24.920  -0.740  -0.740
  489   2HE2  GLN  60          HE21      GLN  60 -25.994   0.346   0.346
  490    H    GLY  61           HN       GLY  61 -27.705   2.396   2.396
  491   1HA   GLY  61           HA2      GLY  61 -28.777   2.632   2.632
  492   2HA   GLY  61           HA1      GLY  61 -29.067   4.367   4.367
  493    H    GLY  62           HN       GLY  62 -26.139   2.365   2.365
  494   1HA   GLY  62           HA2      GLY  62 -24.092   2.695   2.695
  495   2HA   GLY  62           HA1      GLY  62 -24.958   3.535   3.535
  496    H    GLN  63           HN       GLN  63 -25.293   4.510   4.510
  497    HA   GLN  63           HA       GLN  63 -24.403   7.175   7.175
  498   1HB   GLN  63           HB2      GLN  63 -25.037   7.748   7.748
  499   2HB   GLN  63           HB1      GLN  63 -26.302   6.528   6.528
  500   1HG   GLN  63           HG2      GLN  63 -24.909   5.150   5.150
  501   2HG   GLN  63           HG1      GLN  63 -23.737   6.441   6.441
  502   1HE2  GLN  63          HE22      GLN  63 -25.415   8.219   8.219
  503   2HE2  GLN  63          HE21      GLN  63 -23.942   7.761   7.761
  504    H    THR  64           HN       THR  64 -22.685   4.441   4.441
  505    HA   THR  64           HA       THR  64 -20.412   4.117   4.117
  506    HB   THR  64           HB       THR  64 -20.423   7.118   7.118
  507    HG1  THR  64           HG1      THR  64 -19.927   5.067   5.067
  508   1HG2  THR  64          HG22      THR  64 -18.291   5.114   5.114
  509   2HG2  THR  64          HG21      THR  64 -17.965   6.390   6.390
  510   3HG2  THR  64          HG23      THR  64 -18.358   6.804   6.804
  511    H    HIS  65           HN       HIS  65 -21.772   3.718   3.718
  512    HA   HIS  65           HA       HIS  65 -21.317   5.592   5.592
  513   1HB   HIS  65           HB2      HIS  65 -22.543   2.911   2.911
  514   2HB   HIS  65           HB1      HIS  65 -21.784   3.211   3.211
  515    HD1  HIS  65           HD1      HIS  65 -24.960   3.315   3.315
  516    HD2  HIS  65           HD2      HIS  65 -22.786   6.185   6.185
  517    HE1  HIS  65           HE1      HIS  65 -26.646   4.946   4.946
  518    H    GLN  66           HN       GLN  66 -20.230   4.289   4.289
  519    HA   GLN  66           HA       GLN  66 -17.643   3.117   3.117
  520   1HB   GLN  66           HB2      GLN  66 -18.218   5.427   5.427
  521   2HB   GLN  66           HB1      GLN  66 -16.614   4.656   4.656
  522   1HG   GLN  66           HG2      GLN  66 -16.030   5.863   5.863
  523   2HG   GLN  66           HG1      GLN  66 -17.296   5.120   5.120
  524   1HE2  GLN  66          HE22      GLN  66 -19.634   7.890   7.890
  525   2HE2  GLN  66          HE21      GLN  66 -19.652   6.201   6.201
  526    H    ASP  67           HN       ASP  67 -19.484   3.961   3.961
  527    HA   ASP  67           HA       ASP  67 -18.323   1.766   1.766
  528   1HB   ASP  67           HB2      ASP  67 -18.892   3.892   3.892
  529   2HB   ASP  67           HB1      ASP  67 -20.569   3.709   3.709
  530    HA   PRO  68           HA       PRO  68 -22.745  -0.023  -0.023
  531   1HB   PRO  68           HB2      PRO  68 -24.254   0.774   0.774
  532   2HB   PRO  68           HB1      PRO  68 -24.284   1.590   1.590
  533   1HG   PRO  68           HG2      PRO  68 -22.912   2.304   2.304
  534   2HG   PRO  68           HG1      PRO  68 -23.660   3.412   3.412
  535   1HD   PRO  68           HD2      PRO  68 -21.013   2.962   2.962
  536   2HD   PRO  68           HD1      PRO  68 -21.780   3.555   3.555
  537    H    ILE  69           HN       ILE  69 -21.025   0.707   0.707
  538    HA   ILE  69           HA       ILE  69 -21.232  -2.218  -2.218
  539    HB   ILE  69           HB       ILE  69 -22.061  -1.798  -1.798
  540   1HG1  ILE  69          HG12      ILE  69 -20.297  -0.479  -0.479
  541   2HG1  ILE  69          HG11      ILE  69 -21.809   0.415   0.415
  542   1HG2  ILE  69          HG23      ILE  69 -23.558  -0.703  -0.703
  543   2HG2  ILE  69          HG22      ILE  69 -22.864   0.843   0.843
  544   3HG2  ILE  69          HG21      ILE  69 -23.774  -0.135  -0.135
  545   1HD1  ILE  69          HD11      ILE  69 -21.245   1.619   1.619
  546   2HD1  ILE  69          HD13      ILE  69 -19.608   0.975   0.975
  547   3HD1  ILE  69          HD12      ILE  69 -20.267   2.022   2.022
  548    HA   PRO  70           HA       PRO  70 -16.817  -0.408  -0.408
  549   1HB   PRO  70           HB2      PRO  70 -15.829  -1.760  -1.760
  550   2HB   PRO  70           HB1      PRO  70 -16.389  -0.072  -0.072
  551   1HG   PRO  70           HG2      PRO  70 -17.707  -2.683  -2.683
  552   2HG   PRO  70           HG1      PRO  70 -17.781  -1.142  -1.142
  553   1HD   PRO  70           HD2      PRO  70 -19.834  -1.987  -1.987
  554   2HD   PRO  70           HD1      PRO  70 -19.356  -0.254  -0.254
  555    H    LYS  71           HN       LYS  71 -18.437  -3.388  -3.388
  556    HA   LYS  71           HA       LYS  71 -16.071  -5.091  -5.091
  557   1HB   LYS  71           HB2      LYS  71 -17.846  -6.816  -6.816
  558   2HB   LYS  71           HB1      LYS  71 -18.012  -5.989  -5.989
  559   1HG   LYS  71           HG2      LYS  71 -19.548  -4.437  -4.437
  560   2HG   LYS  71           HG1      LYS  71 -19.829  -6.119  -6.119
  561   1HD   LYS  71           HD2      LYS  71 -21.466  -5.607  -5.607
  562   2HD   LYS  71           HD1      LYS  71 -20.310  -6.649  -6.649
  563   1HE   LYS  71           HE2      LYS  71 -19.325  -4.719  -4.719
  564   2HE   LYS  71           HE1      LYS  71 -20.261  -3.601  -3.601
  565   1HZ   LYS  71           HZ3      LYS  71 -22.305  -4.707  -4.707
  566   2HZ   LYS  71           HZ2      LYS  71 -21.352  -5.643  -5.643
  567   3HZ   LYS  71           HZ1      LYS  71 -21.424  -3.957  -3.957
  568    H    GLN  72           HN       GLN  72 -18.451  -3.495  -3.495
  569    HA   GLN  72           HA       GLN  72 -16.705  -3.846  -3.846
  570   1HB   GLN  72           HB2      GLN  72 -18.961  -4.941  -4.941
  571   2HB   GLN  72           HB1      GLN  72 -17.622  -5.887  -5.887
  572   1HG   GLN  72           HG2      GLN  72 -19.467  -6.845  -6.845
  573   2HG   GLN  72           HG1      GLN  72 -18.950  -5.835  -5.835
  574   1HE2  GLN  72          HE22      GLN  72 -21.917  -3.719  -3.719
  575   2HE2  GLN  72          HE21      GLN  72 -20.343  -3.733  -3.733
  576    HA   PRO  73           HA       PRO  73 -18.813  -0.267  -0.267
  577   1HB   PRO  73           HB2      PRO  73 -19.513  -0.849  -0.849
  578   2HB   PRO  73           HB1      PRO  73 -17.845  -0.464  -0.464
  579   1HG   PRO  73           HG2      PRO  73 -19.098  -3.193  -3.193
  580   2HG   PRO  73           HG1      PRO  73 -17.548  -2.591  -2.591
  581   1HD   PRO  73           HD2      PRO  73 -17.701  -4.117  -4.117
  582   2HD   PRO  73           HD1      PRO  73 -16.577  -2.742  -2.742
  583    H    SER  74           HN       SER  74 -20.553  -3.091  -3.091
  584    HA   SER  74           HA       SER  74 -22.790  -3.757  -3.757
  585   1HB   SER  74           HB2      SER  74 -23.370  -3.880  -3.880
  586   2HB   SER  74           HB1      SER  74 -21.868  -2.962  -2.962
  587    HG   SER  74           HG       SER  74 -22.988  -1.193  -1.193
  588    H    SER  75           HN       SER  75 -24.621  -3.109  -3.109
  589    HA   SER  75           HA       SER  75 -26.387  -1.691  -1.691
  590   1HB   SER  75           HB2      SER  75 -25.509  -0.441  -0.441
  591   2HB   SER  75           HB1      SER  75 -25.079   0.770   0.770
  592    HG   SER  75           HG       SER  75 -27.185   0.942   0.942
  593    H    GLN  76           HN       GLN  76 -23.004  -0.814  -0.814
  594    HA   GLN  76           HA       GLN  76 -23.823   0.562   0.562
  595   1HB   GLN  76           HB2      GLN  76 -21.388   1.376   1.376
  596   2HB   GLN  76           HB1      GLN  76 -22.558   1.916   1.916
  597   1HG   GLN  76           HG2      GLN  76 -21.279  -0.356  -0.356
  598   2HG   GLN  76           HG1      GLN  76 -20.004   0.539   0.539
  599   1HE2  GLN  76          HE22      GLN  76 -22.301   2.011   2.011
  600   2HE2  GLN  76          HE21      GLN  76 -22.953   0.839   0.839
  601    HA   PRO  77           HA       PRO  77 -20.724  -2.728  -2.728
  602   1HB   PRO  77           HB2      PRO  77 -20.536  -5.058  -5.058
  603   2HB   PRO  77           HB1      PRO  77 -19.450  -3.671  -3.671
  604   1HG   PRO  77           HG2      PRO  77 -21.843  -4.543  -4.543
  605   2HG   PRO  77           HG1      PRO  77 -20.306  -3.906  -3.906
  606   1HD   PRO  77           HD2      PRO  77 -22.615  -2.559  -2.559
  607   2HD   PRO  77           HD1      PRO  77 -20.968  -1.811  -1.811
  608    H    ARG  78           HN       ARG  78 -23.653  -3.622  -3.622
  609    HA   ARG  78           HA       ARG  78 -24.552  -5.206  -5.206
  610   1HB   ARG  78           HB2      ARG  78 -25.669  -6.706  -6.706
  611   2HB   ARG  78           HB1      ARG  78 -23.904  -6.664  -6.664
  612   1HG   ARG  78           HG2      ARG  78 -24.258  -4.902  -4.902
  613   2HG   ARG  78           HG1      ARG  78 -25.976  -5.224  -5.224
  614   1HD   ARG  78           HD2      ARG  78 -23.988  -7.469  -7.469
  615   2HD   ARG  78           HD1      ARG  78 -24.625  -6.499  -6.499
  616    HE   ARG  78           HE       ARG  78 -26.771  -7.332  -7.332
  617   1HH1  ARG  78          HH11      ARG  78 -25.021  -9.811  -9.811
  618   2HH1  ARG  78          HH12      ARG  78 -25.882 -10.448 -10.448
  619   1HH2  ARG  78          HH21      ARG  78 -27.719  -7.546  -7.546
  620   2HH2  ARG  78          HH22      ARG  78 -27.413  -9.162  -9.162
  621    H    GLY  79           HN       GLY  79 -25.455  -2.990  -2.990
  622   1HA   GLY  79           HA2      GLY  79 -28.315  -2.937  -2.937
  623   2HA   GLY  79           HA1      GLY  79 -27.442  -1.930  -1.930
  624    H    ASP  80           HN       ASP  80 -27.887   0.140   0.140
  625    HA   ASP  80           HA       ASP  80 -28.041   1.033   1.033
  626   1HB   ASP  80           HB2      ASP  80 -27.911   2.373   2.373
  627   2HB   ASP  80           HB1      ASP  80 -28.021   3.295   3.295
  628    HA   PRO  81           HA       PRO  81 -23.558   1.056   1.056
  629   1HB   PRO  81           HB2      PRO  81 -23.424   1.899   1.899
  630   2HB   PRO  81           HB1      PRO  81 -23.792   0.234   0.234
  631   1HG   PRO  81           HG2      PRO  81 -25.698   2.409   2.409
  632   2HG   PRO  81           HG1      PRO  81 -25.646   0.719   0.719
  633   1HD   PRO  81           HD2      PRO  81 -27.336   1.545   1.545
  634   2HD   PRO  81           HD1      PRO  81 -26.573  -0.062  -0.062
  635    H    THR  82           HN       THR  82 -22.628   2.723   2.723
  636    HA   THR  82           HA       THR  82 -23.439   5.481   5.481
  637    HB   THR  82           HB       THR  82 -21.103   5.737   5.737
  638    HG1  THR  82           HG1      THR  82 -19.961   4.033   4.033
  639   1HG2  THR  82          HG22      THR  82 -23.357   4.013   4.013
  640   2HG2  THR  82          HG21      THR  82 -21.922   4.253   4.253
  641   3HG2  THR  82          HG23      THR  82 -22.894   5.640   5.640
  642    H    GLY  83           HN       GLY  83 -21.024   3.587   3.587
  643   1HA   GLY  83           HA2      GLY  83 -20.936   5.045   5.045
  644   2HA   GLY  83           HA1      GLY  83 -19.796   5.897   5.897
  645    HA   PRO  84           HA       PRO  84 -16.956   2.702   2.702
  646   1HB   PRO  84           HB2      PRO  84 -14.899   3.582   3.582
  647   2HB   PRO  84           HB1      PRO  84 -15.428   4.421   4.421
  648   1HG   PRO  84           HG2      PRO  84 -15.720   5.234   5.234
  649   2HG   PRO  84           HG1      PRO  84 -16.010   6.173   6.173
  650   1HD   PRO  84           HD2      PRO  84 -17.861   4.727   4.727
  651   2HD   PRO  84           HD1      PRO  84 -18.270   6.032   6.032
  652    H    LYS  85           HN       LYS  85 -18.457   2.767   2.767
  653    HA   LYS  85           HA       LYS  85 -16.716   0.706   0.706
  654   1HB   LYS  85           HB2      LYS  85 -19.321   1.935   1.935
  655   2HB   LYS  85           HB1      LYS  85 -18.127   1.067   1.067
  656   1HG   LYS  85           HG2      LYS  85 -17.844   3.794   3.794
  657   2HG   LYS  85           HG1      LYS  85 -17.733   3.366   3.366
  658   1HD   LYS  85           HD2      LYS  85 -15.770   2.467   2.467
  659   2HD   LYS  85           HD1      LYS  85 -15.524   3.797   3.797
  660   1HE   LYS  85           HE2      LYS  85 -15.679   2.256   2.256
  661   2HE   LYS  85           HE1      LYS  85 -15.935   0.894   0.894
  662   1HZ   LYS  85           HZ3      LYS  85 -13.601   2.741   2.741
  663   2HZ   LYS  85           HZ2      LYS  85 -13.584   1.160   1.160
  664   3HZ   LYS  85           HZ1      LYS  85 -13.846   1.420   1.420
  665    H    GLU  86           HN       GLU  86 -18.438   0.184   0.184
  666    HA   GLU  86           HA       GLU  86 -20.553  -1.636  -1.636
  667   1HB   GLU  86           HB2      GLU  86 -19.204  -0.871  -0.871
  668   2HB   GLU  86           HB1      GLU  86 -20.436  -2.158  -2.158
  669   1HG   GLU  86           HG2      GLU  86 -21.923  -0.457  -0.457
  670   2HG   GLU  86           HG1      GLU  86 -20.710   0.760   0.760

  Start of MODEL    5
    1   1H    LEU   1           HT3      LEU   1 -21.015  22.101  22.101
    2   2H    LEU   1           HT2      LEU   1 -20.009  22.326  22.326
    3   3H    LEU   1           HT1      LEU   1 -21.696  22.426  22.426
    4    HA   LEU   1           HA       LEU   1 -21.096  20.313  20.313
    5   1HB   LEU   1           HB2      LEU   1 -19.579  18.871  18.871
    6   2HB   LEU   1           HB1      LEU   1 -18.837  20.468  20.468
    7    HG   LEU   1           HG       LEU   1 -20.382  20.481  20.481
    8   1HD1  LEU   1          HD12      LEU   1 -18.953  17.936  17.936
    9   2HD1  LEU   1          HD11      LEU   1 -18.690  18.677  18.677
   10   3HD1  LEU   1          HD13      LEU   1 -20.324  18.273  18.273
   11   1HD2  LEU   1          HD23      LEU   1 -17.412  20.493  20.493
   12   2HD2  LEU   1          HD22      LEU   1 -18.466  21.894  21.894
   13   3HD2  LEU   1          HD21      LEU   1 -18.122  20.851  20.851
   14    H    ASP   2           HN       ASP   2 -21.890  18.119  18.119
   15    HA   ASP   2           HA       ASP   2 -23.738  16.920  16.920
   16   1HB   ASP   2           HB2      ASP   2 -21.961  17.518  17.518
   17   2HB   ASP   2           HB1      ASP   2 -23.414  18.293  18.293
   18    HA   PRO   3           HA       PRO   3 -26.604  20.566  20.566
   19   1HB   PRO   3           HB2      PRO   3 -27.343  20.675  20.675
   20   2HB   PRO   3           HB1      PRO   3 -25.948  21.544  21.544
   21   1HG   PRO   3           HG2      PRO   3 -26.003  19.158  19.158
   22   2HG   PRO   3           HG1      PRO   3 -24.719  20.332  20.332
   23   1HD   PRO   3           HD2      PRO   3 -25.136  17.742  17.742
   24   2HD   PRO   3           HD1      PRO   3 -23.691  18.756  18.756
   25    H    VAL   4           HN       VAL   4 -27.638  18.569  18.569
   26    HA   VAL   4           HA       VAL   4 -30.092  17.709  17.709
   27    HB   VAL   4           HB       VAL   4 -28.622  17.157  17.157
   28   1HG1  VAL   4          HG13      VAL   4 -29.878  15.055  15.055
   29   2HG1  VAL   4          HG12      VAL   4 -31.356  16.008  16.008
   30   3HG1  VAL   4          HG11      VAL   4 -30.338  15.754  15.754
   31   1HG2  VAL   4          HG23      VAL   4 -31.087  18.647  18.647
   32   2HG2  VAL   4          HG22      VAL   4 -29.721  19.216  19.216
   33   3HG2  VAL   4          HG21      VAL   4 -30.907  18.124  18.124
   34    H    ASP   5           HN       ASP   5 -27.261  16.046  16.046
   35    HA   ASP   5           HA       ASP   5 -26.958  14.319  14.319
   36   1HB   ASP   5           HB2      ASP   5 -28.413  13.471  13.471
   37   2HB   ASP   5           HB1      ASP   5 -26.914  12.531  12.531
   38    HA   PRO   6           HA       PRO   6 -23.134  14.343  14.343
   39   1HB   PRO   6           HB2      PRO   6 -23.270  13.947  13.947
   40   2HB   PRO   6           HB1      PRO   6 -23.446  12.604  12.604
   41   1HG   PRO   6           HG2      PRO   6 -25.530  13.742  13.742
   42   2HG   PRO   6           HG1      PRO   6 -25.530  12.273  12.273
   43   1HD   PRO   6           HD2      PRO   6 -26.549  14.939  14.939
   44   2HD   PRO   6           HD1      PRO   6 -26.995  13.317  13.317
   45    H    ASN   7           HN       ASN   7 -22.080  15.713  15.713
   46    HA   ASN   7           HA       ASN   7 -23.012  18.447  18.447
   47   1HB   ASN   7           HB2      ASN   7 -20.977  17.120  17.120
   48   2HB   ASN   7           HB1      ASN   7 -21.246  18.873  18.873
   49   1HD2  ASN   7          HD22      ASN   7 -19.008  17.217  17.217
   50   2HD2  ASN   7          HD21      ASN   7 -19.557  16.328  16.328
   51    H    ILE   8           HN       ILE   8 -22.937  16.321  16.321
   52    HA   ILE   8           HA       ILE   8 -25.418  17.680  17.680
   53    HB   ILE   8           HB       ILE   8 -24.491  18.096  18.096
   54   1HG1  ILE   8          HG12      ILE   8 -23.357  15.890  15.890
   55   2HG1  ILE   8          HG11      ILE   8 -22.352  17.243  17.243
   56   1HG2  ILE   8          HG21      ILE   8 -23.665  19.665  19.665
   57   2HG2  ILE   8          HG23      ILE   8 -22.272  18.626  18.626
   58   3HG2  ILE   8          HG22      ILE   8 -22.463  19.421  19.421
   59   1HD1  ILE   8          HD12      ILE   8 -21.388  17.097  17.097
   60   2HD1  ILE   8          HD11      ILE   8 -22.136  15.501  15.501
   61   3HD1  ILE   8          HD13      ILE   8 -20.908  15.864  15.864
   62    H    GLU   9           HN       GLU   9 -24.602  14.930  14.930
   63    HA   GLU   9           HA       GLU   9 -25.045  12.639  12.639
   64   1HB   GLU   9           HB2      GLU   9 -27.276  13.833  13.833
   65   2HB   GLU   9           HB1      GLU   9 -27.223  13.864  13.864
   66   1HG   GLU   9           HG2      GLU   9 -27.639  11.597  11.597
   67   2HG   GLU   9           HG1      GLU   9 -26.743  11.200  11.200
   68    HA   PRO  10           HA       PRO  10 -23.231  12.726  12.726
   69   1HB   PRO  10           HB2      PRO  10 -20.629  12.365  12.365
   70   2HB   PRO  10           HB1      PRO  10 -21.555  13.913  13.913
   71   1HG   PRO  10           HG2      PRO  10 -20.750  12.179  12.179
   72   2HG   PRO  10           HG1      PRO  10 -20.602  13.995  13.995
   73   1HD   PRO  10           HD2      PRO  10 -22.502  12.172  12.172
   74   2HD   PRO  10           HD1      PRO  10 -22.753  13.929  13.929
   75    H    TRP  11           HN       TRP  11 -24.460  10.493  10.493
   76    HA   TRP  11           HA       TRP  11 -22.449   8.288   8.288
   77   1HB   TRP  11           HB2      TRP  11 -25.312   8.376   8.376
   78   2HB   TRP  11           HB1      TRP  11 -24.203   7.010   7.010
   79    HD1  TRP  11           HD1      TRP  11 -24.711  10.551  10.551
   80    HE1  TRP  11           HE1      TRP  11 -23.359  10.806  10.806
   81    HE3  TRP  11           HE3      TRP  11 -22.229   6.088   6.088
   82    HZ2  TRP  11           HZ2      TRP  11 -21.473   9.307   9.307
   83    HZ3  TRP  11           HZ3      TRP  11 -20.667   5.539   5.539
   84    HH2  TRP  11           HH2      TRP  11 -20.288   7.137   7.137
   85    H    ASN  12           HN       ASN  12 -23.429   9.805   9.805
   86    HA   ASN  12           HA       ASN  12 -24.597   7.609   7.609
   87   1HB   ASN  12           HB2      ASN  12 -26.158   9.480   9.480
   88   2HB   ASN  12           HB1      ASN  12 -26.551   8.679   8.679
   89   1HD2  ASN  12          HD22      ASN  12 -25.692  11.559  11.559
   90   2HD2  ASN  12          HD21      ASN  12 -25.681   9.874   9.874
   91    H    HIS  13           HN       HIS  13 -22.288   7.766   7.766
   92    HA   HIS  13           HA       HIS  13 -21.674  10.168  10.168
   93   1HB   HIS  13           HB2      HIS  13 -20.215   8.067   8.067
   94   2HB   HIS  13           HB1      HIS  13 -19.325   8.985   8.985
   95    HD1  HIS  13           HD1      HIS  13 -17.863  10.031  10.031
   96    HD2  HIS  13           HD2      HIS  13 -21.875  11.149  11.149
   97    HE1  HIS  13           HE1      HIS  13 -18.043  12.064  12.064
   98    HA   PRO  14           HA       PRO  14 -21.931   7.523   7.523
   99   1HB   PRO  14           HB2      PRO  14 -20.683   9.314   9.314
  100   2HB   PRO  14           HB1      PRO  14 -22.389   9.462   9.462
  101   1HG   PRO  14           HG2      PRO  14 -19.919  10.807  10.807
  102   2HG   PRO  14           HG1      PRO  14 -21.538  11.486  11.486
  103   1HD   PRO  14           HD2      PRO  14 -20.452  10.776  10.776
  104   2HD   PRO  14           HD1      PRO  14 -22.221  10.861  10.861
  105    H    GLY  15           HN       GLY  15 -19.059   8.863   8.863
  106   1HA   GLY  15           HA2      GLY  15 -16.923   8.074   8.074
  107   2HA   GLY  15           HA1      GLY  15 -17.389   6.611   6.611
  108    H    SER  16           HN       SER  16 -18.049   9.893   9.893
  109    HA   SER  16           HA       SER  16 -15.699   9.996   9.996
  110   1HB   SER  16           HB2      SER  16 -17.532   8.643   8.643
  111   2HB   SER  16           HB1      SER  16 -18.571  10.061  10.061
  112    HG   SER  16           HG       SER  16 -17.754  10.302  10.302
  113    H    GLN  17           HN       GLN  17 -17.345  11.619  11.619
  114    HA   GLN  17           HA       GLN  17 -16.792  14.245  14.245
  115   1HB   GLN  17           HB2      GLN  17 -19.438  13.035  13.035
  116   2HB   GLN  17           HB1      GLN  17 -19.290  14.652  14.652
  117   1HG   GLN  17           HG2      GLN  17 -19.185  15.659  15.659
  118   2HG   GLN  17           HG1      GLN  17 -18.120  14.443  14.443
  119   1HE2  GLN  17          HE22      GLN  17 -20.993  12.282  12.282
  120   2HE2  GLN  17          HE21      GLN  17 -19.489  12.122  12.122
  121    HA   PRO  18           HA       PRO  18 -17.468  15.018  15.018
  122   1HB   PRO  18           HB2      PRO  18 -18.678  13.093  13.093
  123   2HB   PRO  18           HB1      PRO  18 -19.588  14.364  14.364
  124   1HG   PRO  18           HG2      PRO  18 -19.065  11.516  11.516
  125   2HG   PRO  18           HG1      PRO  18 -20.563  12.457  12.457
  126   1HD   PRO  18           HD2      PRO  18 -18.811  11.855  11.855
  127   2HD   PRO  18           HD1      PRO  18 -19.873  13.304  13.304
  128    H    LYS  19           HN       LYS  19 -17.095  11.461  11.461
  129    HA   LYS  19           HA       LYS  19 -15.215  10.993  10.993
  130   1HB   LYS  19           HB2      LYS  19 -15.804   9.811   9.811
  131   2HB   LYS  19           HB1      LYS  19 -14.522   9.100   9.100
  132   1HG   LYS  19           HG2      LYS  19 -16.314   9.026   9.026
  133   2HG   LYS  19           HG1      LYS  19 -17.443   9.354   9.354
  134   1HD   LYS  19           HD2      LYS  19 -17.540   7.148   7.148
  135   2HD   LYS  19           HD1      LYS  19 -15.931   7.276   7.276
  136   1HE   LYS  19           HE2      LYS  19 -14.935   6.869   6.869
  137   2HE   LYS  19           HE1      LYS  19 -16.571   6.671   6.671
  138   1HZ   LYS  19           HZ3      LYS  19 -16.870   5.032   5.032
  139   2HZ   LYS  19           HZ2      LYS  19 -15.173   5.023   5.023
  140   3HZ   LYS  19           HZ1      LYS  19 -15.955   4.517   4.517
  141    H    THR  20           HN       THR  20 -14.701  11.881  11.881
  142    HA   THR  20           HA       THR  20 -12.333  13.417  13.417
  143    HB   THR  20           HB       THR  20 -11.148  11.434  11.434
  144    HG1  THR  20           HG1      THR  20 -10.173  10.982  10.982
  145   1HG2  THR  20          HG21      THR  20 -12.843  10.227  10.227
  146   2HG2  THR  20          HG23      THR  20 -11.470   9.399   9.399
  147   3HG2  THR  20          HG22      THR  20 -12.874   9.816   9.816
  148    H    ALA  21           HN       ALA  21 -14.206  11.634  11.634
  149    HA   ALA  21           HA       ALA  21 -14.646  12.205  12.205
  150   1HB   ALA  21           HB2      ALA  21 -14.974  14.429  14.429
  151   2HB   ALA  21           HB1      ALA  21 -13.847  15.022  15.022
  152   3HB   ALA  21           HB3      ALA  21 -15.405  14.361  14.361
  153    H    SER  22           HN       SER  22 -11.857  11.514  11.514
  154    HA   SER  22           HA       SER  22  -9.787  11.189  11.189
  155   1HB   SER  22           HB2      SER  22 -10.763  13.169  13.169
  156   2HB   SER  22           HB1      SER  22  -9.555  11.906  11.906
  157    HG   SER  22           HG       SER  22 -11.848  11.465  11.465
  158    H    ASN  23           HN       ASN  23 -11.005  14.184  14.184
  159    HA   ASN  23           HA       ASN  23  -8.637  15.805  15.805
  160   1HB   ASN  23           HB2      ASN  23 -10.164  17.435  17.435
  161   2HB   ASN  23           HB1      ASN  23 -11.310  16.098  16.098
  162   1HD2  ASN  23          HD22      ASN  23 -11.280  16.145  16.145
  163   2HD2  ASN  23          HD21      ASN  23 -11.596  15.189  15.189
  164    H    ARG  24           HN       ARG  24  -9.592  13.634  13.634
  165    HA   ARG  24           HA       ARG  24  -7.094  14.397  14.397
  166   1HB   ARG  24           HB2      ARG  24  -9.941  14.390  14.390
  167   2HB   ARG  24           HB1      ARG  24  -8.801  13.741  13.741
  168   1HG   ARG  24           HG2      ARG  24  -7.583  15.727  15.727
  169   2HG   ARG  24           HG1      ARG  24  -8.277  16.371  16.371
  170   1HD   ARG  24           HD2      ARG  24  -9.628  17.503  17.503
  171   2HD   ARG  24           HD1      ARG  24 -10.518  15.965  15.965
  172    HE   ARG  24           HE       ARG  24  -9.774  15.195  15.195
  173   1HH1  ARG  24          HH21      ARG  24  -6.968  15.668  15.668
  174   2HH1  ARG  24          HH22      ARG  24  -6.785  17.024  17.024
  175   1HH2  ARG  24          HH11      ARG  24 -10.102  18.024  18.024
  176   2HH2  ARG  24          HH12      ARG  24  -8.564  18.361  18.361
  177    H    ALA  25           HN       ALA  25  -9.433  12.081  12.081
  178    HA   ALA  25           HA       ALA  25  -9.420   9.724   9.724
  179   1HB   ALA  25           HB3      ALA  25  -8.539  10.267  10.267
  180   2HB   ALA  25           HB2      ALA  25  -7.073   9.543   9.543
  181   3HB   ALA  25           HB1      ALA  25  -8.578   8.624   8.624
  182    H    HIS  26           HN       HIS  26  -8.170  11.024  11.024
  183    HA   HIS  26           HA       HIS  26  -6.211   9.059   9.059
  184   1HB   HIS  26           HB2      HIS  26  -4.522  11.126  11.126
  185   2HB   HIS  26           HB1      HIS  26  -4.500  10.128  10.128
  186    HD1  HIS  26           HD1      HIS  26  -3.418  12.182  12.182
  187    HD2  HIS  26           HD2      HIS  26  -7.341  12.770  12.770
  188    HE1  HIS  26           HE1      HIS  26  -4.271  14.243  14.243
  189    H    ALA  27           HN       ALA  27  -7.205  12.447  12.447
  190    HA   ALA  27           HA       ALA  27  -6.989  12.013  12.013
  191   1HB   ALA  27           HB3      ALA  27  -8.325  14.166  14.166
  192   2HB   ALA  27           HB2      ALA  27  -8.001  14.287  14.287
  193   3HB   ALA  27           HB1      ALA  27  -6.662  14.196  14.196
  194    H    LYS  28           HN       LYS  28  -9.475  11.476  11.476
  195    HA   LYS  28           HA       LYS  28 -11.820  11.654  11.654
  196   1HB   LYS  28           HB2      LYS  28 -12.057  11.694  11.694
  197   2HB   LYS  28           HB1      LYS  28 -10.935  10.296  10.296
  198   1HG   LYS  28           HG2      LYS  28 -13.017   9.116   9.116
  199   2HG   LYS  28           HG1      LYS  28 -13.905  10.424  10.424
  200   1HD   LYS  28           HD2      LYS  28 -14.021   8.505   8.505
  201   2HD   LYS  28           HD1      LYS  28 -12.947   9.664   9.664
  202   1HE   LYS  28           HE2      LYS  28 -11.086   8.336   8.336
  203   2HE   LYS  28           HE1      LYS  28 -12.292   7.024   7.024
  204   1HZ   LYS  28           HZ3      LYS  28 -12.448   7.640   7.640
  205   2HZ   LYS  28           HZ2      LYS  28 -11.117   8.674   8.674
  206   3HZ   LYS  28           HZ1      LYS  28 -10.943   6.999   6.999
  207    H    LYS  29           HN       LYS  29  -9.557   9.001   9.001
  208    HA   LYS  29           HA       LYS  29 -10.798   7.432   7.432
  209   1HB   LYS  29           HB2      LYS  29 -10.997   5.557   5.557
  210   2HB   LYS  29           HB1      LYS  29 -11.267   6.832   6.832
  211   1HG   LYS  29           HG2      LYS  29  -8.623   5.407   5.407
  212   2HG   LYS  29           HG1      LYS  29  -9.699   5.177   5.177
  213   1HD   LYS  29           HD2      LYS  29  -9.430   7.692   7.692
  214   2HD   LYS  29           HD1      LYS  29  -8.118   7.642   7.642
  215   1HE   LYS  29           HE2      LYS  29  -8.145   5.610   5.610
  216   2HE   LYS  29           HE1      LYS  29  -7.614   7.260   7.260
  217   1HZ   LYS  29           HZ3      LYS  29  -6.126   7.134   7.134
  218   2HZ   LYS  29           HZ2      LYS  29  -6.583   5.516   5.516
  219   3HZ   LYS  29           HZ1      LYS  29  -5.746   5.959   5.959
  220    H    SER  30           HN       SER  30  -8.334   9.192   9.192
  221    HA   SER  30           HA       SER  30  -5.875   8.032   8.032
  222   1HB   SER  30           HB2      SER  30  -5.174   9.721   9.721
  223   2HB   SER  30           HB1      SER  30  -6.441  10.303  10.303
  224    HG   SER  30           HG       SER  30  -7.778  10.529  10.529
  225    H    ALA  31           HN       ALA  31  -7.179   8.229   8.229
  226    HA   ALA  31           HA       ALA  31  -6.871   5.382   5.382
  227   1HB   ALA  31           HB2      ALA  31  -4.712   7.348   7.348
  228   2HB   ALA  31           HB1      ALA  31  -4.863   5.738   5.738
  229   3HB   ALA  31           HB3      ALA  31  -4.526   5.922   5.922
  230    H    TYR  32           HN       TYR  32  -9.100   6.541   6.541
  231    HA   TYR  32           HA       TYR  32  -9.009   6.789   6.789
  232   1HB   TYR  32           HB2      TYR  32 -10.012   9.106   9.106
  233   2HB   TYR  32           HB1      TYR  32  -8.510   9.062   9.062
  234    HD1  TYR  32           HD1      TYR  32  -9.241   8.222   8.222
  235    HD2  TYR  32           HD2      TYR  32 -11.590  10.403  10.403
  236    HE1  TYR  32           HE1      TYR  32 -10.586   9.192   9.192
  237    HE2  TYR  32           HE2      TYR  32 -12.940  11.363  11.363
  238    HH   TYR  32           HH       TYR  32 -12.194  11.708  11.708
  239    H    HIS  33           HN       HIS  33 -10.053   4.791   4.791
  240    HA   HIS  33           HA       HIS  33 -11.971   3.490   3.490
  241   1HB   HIS  33           HB2      HIS  33 -12.861   5.389   5.389
  242   2HB   HIS  33           HB1      HIS  33 -13.816   3.988   3.988
  243    HD1  HIS  33           HD1      HIS  33 -13.329   1.841   1.841
  244    HD2  HIS  33           HD2      HIS  33 -10.122   4.491   4.491
  245    HE1  HIS  33           HE1      HIS  33 -11.596   0.714   0.714
  246    H    SER  34           HN       SER  34 -11.657   6.379   6.379
  247    HA   SER  34           HA       SER  34 -12.872   7.752   7.752
  248   1HB   SER  34           HB2      SER  34 -13.710   4.930   4.930
  249   2HB   SER  34           HB1      SER  34 -14.549   6.163   6.163
  250    HG   SER  34           HG       SER  34 -11.987   5.209   5.209
  251    H    GLN  35           HN       GLN  35 -14.003   9.043   9.043
  252    HA   GLN  35           HA       GLN  35 -16.754   8.179   8.179
  253   1HB   GLN  35           HB2      GLN  35 -14.995  10.515  10.515
  254   2HB   GLN  35           HB1      GLN  35 -16.594  10.168  10.168
  255   1HG   GLN  35           HG2      GLN  35 -14.063   8.527   8.527
  256   2HG   GLN  35           HG1      GLN  35 -15.038   9.213   9.213
  257   1HE2  GLN  35          HE22      GLN  35 -15.824   5.501   5.501
  258   2HE2  GLN  35          HE21      GLN  35 -14.352   6.309   6.309
  259    H    VAL  36           HN       VAL  36 -15.079  10.600  10.600
  260    HA   VAL  36           HA       VAL  36 -15.880  12.097  12.097
  261    HB   VAL  36           HB       VAL  36 -18.550  10.717  10.717
  262   1HG1  VAL  36          HG12      VAL  36 -18.089  12.620  12.620
  263   2HG1  VAL  36          HG11      VAL  36 -16.954  11.569  11.569
  264   3HG1  VAL  36          HG13      VAL  36 -18.663  11.141  11.141
  265   1HG2  VAL  36          HG21      VAL  36 -16.055   9.375   9.375
  266   2HG2  VAL  36          HG23      VAL  36 -17.502   8.701   8.701
  267   3HG2  VAL  36          HG22      VAL  36 -17.525   9.165   9.165
  268    H    ALA  37           HN       ALA  37 -15.813  13.369  13.369
  269    HA   ALA  37           HA       ALA  37 -16.832  14.966  14.966
  270   1HB   ALA  37           HB3      ALA  37 -16.626  15.949  15.949
  271   2HB   ALA  37           HB2      ALA  37 -18.310  15.505  15.505
  272   3HB   ALA  37           HB1      ALA  37 -17.901  16.679  16.679
  273    H    PHE  38           HN       PHE  38 -18.025  12.905  12.905
  274    HA   PHE  38           HA       PHE  38 -20.923  12.901  12.901
  275   1HB   PHE  38           HB2      PHE  38 -20.895  10.818  10.818
  276   2HB   PHE  38           HB1      PHE  38 -19.547  10.877  10.877
  277    HD1  PHE  38           HD1      PHE  38 -18.205  13.014  13.014
  278    HD2  PHE  38           HD2      PHE  38 -19.631   8.960   8.960
  279    HE1  PHE  38           HE1      PHE  38 -16.670  12.480  12.480
  280    HE2  PHE  38           HE2      PHE  38 -18.096   8.436   8.436
  281    HZ   PHE  38           HZ       PHE  38 -16.619  10.195  10.195
  282    H    ILE  39           HN       ILE  39 -21.158  12.003  12.003
  283    HA   ILE  39           HA       ILE  39 -22.422  14.381  14.381
  284    HB   ILE  39           HB       ILE  39 -22.320  13.168  13.168
  285   1HG1  ILE  39          HG12      ILE  39 -21.304  10.773  10.773
  286   2HG1  ILE  39          HG11      ILE  39 -20.097  11.889  11.889
  287   1HG2  ILE  39          HG21      ILE  39 -23.569  12.373  12.373
  288   2HG2  ILE  39          HG23      ILE  39 -23.424  11.030  11.030
  289   3HG2  ILE  39          HG22      ILE  39 -24.273  12.498  12.498
  290   1HD1  ILE  39          HD13      ILE  39 -22.310  10.829  10.829
  291   2HD1  ILE  39          HD12      ILE  39 -20.741  10.038  10.038
  292   3HD1  ILE  39          HD11      ILE  39 -20.843  11.669  11.669
  293    H    THR  40           HN       THR  40 -19.102  13.234  13.234
  294    HA   THR  40           HA       THR  40 -18.653  15.771  15.771
  295    HB   THR  40           HB       THR  40 -17.135  13.132  13.132
  296    HG1  THR  40           HG1      THR  40 -18.130  13.368  13.368
  297   1HG2  THR  40          HG21      THR  40 -16.215  15.624  15.624
  298   2HG2  THR  40          HG23      THR  40 -16.761  14.856  14.856
  299   3HG2  THR  40          HG22      THR  40 -15.552  14.060  14.060
  300    H    LYS  41           HN       LYS  41 -17.007  17.179  17.179
  301    HA   LYS  41           HA       LYS  41 -16.149  17.119  17.119
  302   1HB   LYS  41           HB2      LYS  41 -15.044  19.182  19.182
  303   2HB   LYS  41           HB1      LYS  41 -16.597  19.125  19.125
  304   1HG   LYS  41           HG2      LYS  41 -15.587  19.358  19.358
  305   2HG   LYS  41           HG1      LYS  41 -14.658  17.897  17.897
  306   1HD   LYS  41           HD2      LYS  41 -13.930  20.680  20.680
  307   2HD   LYS  41           HD1      LYS  41 -13.178  19.818  19.818
  308   1HE   LYS  41           HE2      LYS  41 -13.202  18.443  18.443
  309   2HE   LYS  41           HE1      LYS  41 -12.065  19.783  19.783
  310   1HZ   LYS  41           HZ2      LYS  41 -12.462  17.587  17.587
  311   2HZ   LYS  41           HZ1      LYS  41 -11.326  17.481  17.481
  312   3HZ   LYS  41           HZ3      LYS  41 -11.175  18.693  18.693
  313    H    GLY  42           HN       GLY  42 -14.768  15.812  15.812
  314   1HA   GLY  42           HA2      GLY  42 -11.993  15.728  15.728
  315   2HA   GLY  42           HA1      GLY  42 -12.715  14.755  14.755
  316    H    LEU  43           HN       LEU  43 -14.550  14.245  14.245
  317    HA   LEU  43           HA       LEU  43 -14.647  12.538  12.538
  318   1HB   LEU  43           HB2      LEU  43 -11.593  12.574  12.574
  319   2HB   LEU  43           HB1      LEU  43 -12.638  12.019  12.019
  320    HG   LEU  43           HG       LEU  43 -12.545  14.886  14.886
  321   1HD1  LEU  43          HD13      LEU  43 -10.837  13.192  13.192
  322   2HD1  LEU  43          HD12      LEU  43 -11.519  14.467  14.467
  323   3HD1  LEU  43          HD11      LEU  43 -10.619  14.886  14.886
  324   1HD2  LEU  43          HD23      LEU  43 -14.722  13.966  13.966
  325   2HD2  LEU  43          HD22      LEU  43 -14.008  15.303  15.303
  326   3HD2  LEU  43          HD21      LEU  43 -13.827  13.648  13.648
  327    H    GLY  44           HN       GLY  44 -14.833  11.764  11.764
  328   1HA   GLY  44           HA2      GLY  44 -14.787   9.733   9.733
  329   2HA   GLY  44           HA1      GLY  44 -14.632   8.960   8.960
  330    H    ILE  45           HN       ILE  45 -12.151  11.220  11.220
  331    HA   ILE  45           HA       ILE  45 -10.053   9.352   9.352
  332    HB   ILE  45           HB       ILE  45  -8.758  11.178  11.178
  333   1HG1  ILE  45          HG12      ILE  45 -10.439  13.331  13.331
  334   2HG1  ILE  45          HG11      ILE  45 -11.542  12.105  12.105
  335   1HG2  ILE  45          HG22      ILE  45 -10.315  11.536  11.536
  336   2HG2  ILE  45          HG21      ILE  45  -9.298  12.848  12.848
  337   3HG2  ILE  45          HG23      ILE  45  -8.585  11.280  11.280
  338   1HD1  ILE  45          HD13      ILE  45  -9.097  11.915  11.915
  339   2HD1  ILE  45          HD12      ILE  45  -9.374  13.642  13.642
  340   3HD1  ILE  45          HD11      ILE  45 -10.593  12.649  12.649
  341    H    SER  46           HN       SER  46 -11.420  10.644  10.644
  342    HA   SER  46           HA       SER  46 -11.050   8.081   8.081
  343   1HB   SER  46           HB2      SER  46  -9.169   8.734   8.734
  344   2HB   SER  46           HB1      SER  46  -8.694   8.876   8.876
  345    HG   SER  46           HG       SER  46  -8.596  10.733  10.733
  346    H    TYR  47           HN       TYR  47 -12.898  10.730  10.730
  347    HA   TYR  47           HA       TYR  47 -13.006  11.516  11.516
  348   1HB   TYR  47           HB2      TYR  47 -14.820  12.949  12.949
  349   2HB   TYR  47           HB1      TYR  47 -13.655  12.880  12.880
  350    HD1  TYR  47           HD1      TYR  47 -16.874  11.477  11.477
  351    HD2  TYR  47           HD2      TYR  47 -14.109  12.008  12.008
  352    HE1  TYR  47           HE1      TYR  47 -18.575  10.623  10.623
  353    HE2  TYR  47           HE2      TYR  47 -15.796  11.167  11.167
  354    HH   TYR  47           HH       TYR  47 -18.660  11.118  11.118
  355    H    GLY  48           HN       GLY  48 -14.512   9.036   9.036
  356   1HA   GLY  48           HA2      GLY  48 -15.370   7.081   7.081
  357   2HA   GLY  48           HA1      GLY  48 -16.242   8.247   8.247
  358    H    ARG  49           HN       ARG  49 -15.984   7.072   7.072
  359    HA   ARG  49           HA       ARG  49 -18.497   8.288   8.288
  360   1HB   ARG  49           HB2      ARG  49 -17.988   7.369   7.369
  361   2HB   ARG  49           HB1      ARG  49 -16.408   7.687   7.687
  362   1HG   ARG  49           HG2      ARG  49 -16.182   5.328   5.328
  363   2HG   ARG  49           HG1      ARG  49 -17.819   4.985   4.985
  364   1HD   ARG  49           HD2      ARG  49 -16.235   4.300   4.300
  365   2HD   ARG  49           HD1      ARG  49 -17.271   5.710   5.710
  366    HE   ARG  49           HE       ARG  49 -15.428   7.232   7.232
  367   1HH1  ARG  49          HH11      ARG  49 -14.155   4.443   4.443
  368   2HH1  ARG  49          HH12      ARG  49 -12.700   4.458   4.458
  369   1HH2  ARG  49          HH21      ARG  49 -13.752   7.023   7.023
  370   2HH2  ARG  49          HH22      ARG  49 -12.468   5.927   5.927
  371    H    LYS  50           HN       LYS  50 -20.370   7.005   7.005
  372    HA   LYS  50           HA       LYS  50 -20.721   4.511   4.511
  373   1HB   LYS  50           HB2      LYS  50 -23.120   5.215   5.215
  374   2HB   LYS  50           HB1      LYS  50 -22.034   6.364   6.364
  375   1HG   LYS  50           HG2      LYS  50 -22.427   6.880   6.880
  376   2HG   LYS  50           HG1      LYS  50 -23.938   6.957   6.957
  377   1HD   LYS  50           HD2      LYS  50 -21.330   8.477   8.477
  378   2HD   LYS  50           HD1      LYS  50 -22.846   9.119   9.119
  379   1HE   LYS  50           HE2      LYS  50 -23.845   8.229   8.229
  380   2HE   LYS  50           HE1      LYS  50 -22.133   8.278   8.278
  381   1HZ   LYS  50           HZ3      LYS  50 -22.016  10.556  10.556
  382   2HZ   LYS  50           HZ2      LYS  50 -23.684  10.515  10.515
  383   3HZ   LYS  50           HZ1      LYS  50 -23.121  10.432  10.432
  384    H    LYS  51           HN       LYS  51 -20.835   5.923   5.923
  385    HA   LYS  51           HA       LYS  51 -21.323   5.013   5.013
  386   1HB   LYS  51           HB2      LYS  51 -20.959   2.500   2.500
  387   2HB   LYS  51           HB1      LYS  51 -21.203   2.478   2.478
  388   1HG   LYS  51           HG2      LYS  51 -19.038   4.266   4.266
  389   2HG   LYS  51           HG1      LYS  51 -18.739   2.555   2.555
  390   1HD   LYS  51           HD2      LYS  51 -18.149   3.138   3.138
  391   2HD   LYS  51           HD1      LYS  51 -19.888   3.292   3.292
  392   1HE   LYS  51           HE2      LYS  51 -19.779   5.686   5.686
  393   2HE   LYS  51           HE1      LYS  51 -18.024   5.535   5.535
  394   1HZ   LYS  51           HZ1      LYS  51 -17.983   4.637   4.637
  395   2HZ   LYS  51           HZ3      LYS  51 -19.637   4.986   4.986
  396   3HZ   LYS  51           HZ2      LYS  51 -18.519   6.247   6.247
  397    H    ARG  52           HN       ARG  52 -23.613   5.202   5.202
  398    HA   ARG  52           HA       ARG  52 -25.602   3.497   3.497
  399   1HB   ARG  52           HB2      ARG  52 -25.809   4.781   4.781
  400   2HB   ARG  52           HB1      ARG  52 -26.872   3.551   3.551
  401   1HG   ARG  52           HG2      ARG  52 -24.085   3.365   3.365
  402   2HG   ARG  52           HG1      ARG  52 -25.451   2.326   2.326
  403   1HD   ARG  52           HD2      ARG  52 -23.731   2.200   2.200
  404   2HD   ARG  52           HD1      ARG  52 -24.032   0.951   0.951
  405    HE   ARG  52           HE       ARG  52 -25.724   1.505   1.505
  406   1HH1  ARG  52          HH21      ARG  52 -28.006   2.254   2.254
  407   2HH1  ARG  52          HH22      ARG  52 -28.658   1.011   1.011
  408   1HH2  ARG  52          HH11      ARG  52 -25.640  -0.681  -0.681
  409   2HH2  ARG  52          HH12      ARG  52 -27.317  -0.653  -0.653
  410    H    ARG  53           HN       ARG  53 -24.663   6.774   6.774
  411    HA   ARG  53           HA       ARG  53 -27.137   8.159   8.159
  412   1HB   ARG  53           HB2      ARG  53 -25.786  10.040  10.040
  413   2HB   ARG  53           HB1      ARG  53 -24.784   9.047   9.047
  414   1HG   ARG  53           HG2      ARG  53 -23.268   9.029   9.029
  415   2HG   ARG  53           HG1      ARG  53 -24.300   7.985   7.985
  416   1HD   ARG  53           HD2      ARG  53 -24.978  10.916  10.916
  417   2HD   ARG  53           HD1      ARG  53 -23.430  10.472  10.472
  418    HE   ARG  53           HE       ARG  53 -24.707   8.655   8.655
  419   1HH1  ARG  53          HH11      ARG  53 -26.846  10.763  10.763
  420   2HH1  ARG  53          HH12      ARG  53 -27.784  11.120  11.120
  421   1HH2  ARG  53          HH21      ARG  53 -25.687   9.416   9.416
  422   2HH2  ARG  53          HH22      ARG  53 -27.130  10.356  10.356
  423    H    GLN  54           HN       GLN  54 -25.533   6.389   6.389
  424    HA   GLN  54           HA       GLN  54 -26.637   7.658   7.658
  425   1HB   GLN  54           HB2      GLN  54 -26.043   4.682   4.682
  426   2HB   GLN  54           HB1      GLN  54 -26.107   5.599   5.599
  427   1HG   GLN  54           HG2      GLN  54 -24.156   6.706   6.706
  428   2HG   GLN  54           HG1      GLN  54 -24.176   6.597   6.597
  429   1HE2  GLN  54          HE22      GLN  54 -21.986   3.903   3.903
  430   2HE2  GLN  54          HE21      GLN  54 -22.455   5.385   5.385
  431    H    ARG  55           HN       ARG  55 -27.925   5.039   5.039
  432    HA   ARG  55           HA       ARG  55 -30.117   4.232   4.232
  433   1HB   ARG  55           HB2      ARG  55 -30.836   6.817   6.817
  434   2HB   ARG  55           HB1      ARG  55 -31.909   5.781   5.781
  435   1HG   ARG  55           HG2      ARG  55 -30.594   6.124   6.124
  436   2HG   ARG  55           HG1      ARG  55 -29.521   7.211   7.211
  437   1HD   ARG  55           HD2      ARG  55 -31.430   8.702   8.702
  438   2HD   ARG  55           HD1      ARG  55 -32.500   7.651   7.651
  439    HE   ARG  55           HE       ARG  55 -30.350   9.375   9.375
  440   1HH1  ARG  55          HH21      ARG  55 -29.764   7.004   7.004
  441   2HH1  ARG  55          HH22      ARG  55 -30.926   6.972   6.972
  442   1HH2  ARG  55          HH11      ARG  55 -33.066   9.246   9.246
  443   2HH2  ARG  55          HH12      ARG  55 -32.802   8.246   8.246
  444    H    ARG  56           HN       ARG  56 -28.485   4.169   4.169
  445    HA   ARG  56           HA       ARG  56 -30.641   2.676   2.676
  446   1HB   ARG  56           HB2      ARG  56 -28.527   4.345   4.345
  447   2HB   ARG  56           HB1      ARG  56 -30.017   3.698   3.698
  448   1HG   ARG  56           HG2      ARG  56 -31.235   5.441   5.441
  449   2HG   ARG  56           HG1      ARG  56 -30.531   5.515   5.515
  450   1HD   ARG  56           HD2      ARG  56 -28.501   6.511   6.511
  451   2HD   ARG  56           HD1      ARG  56 -29.305   6.556   6.556
  452    HE   ARG  56           HE       ARG  56 -29.920   8.332   8.332
  453   1HH1  ARG  56          HH21      ARG  56 -32.553   7.556   7.556
  454   2HH1  ARG  56          HH22      ARG  56 -33.302   8.255   8.255
  455   1HH2  ARG  56          HH11      ARG  56 -30.297   8.875   8.875
  456   2HH2  ARG  56          HH12      ARG  56 -32.022   9.002   9.002
  457    H    ARG  57           HN       ARG  57 -28.525   1.726   1.726
  458    HA   ARG  57           HA       ARG  57 -26.162   0.838   0.838
  459   1HB   ARG  57           HB2      ARG  57 -26.846   0.746   0.746
  460   2HB   ARG  57           HB1      ARG  57 -27.831  -0.687  -0.687
  461   1HG   ARG  57           HG2      ARG  57 -25.847  -1.657  -1.657
  462   2HG   ARG  57           HG1      ARG  57 -25.510  -1.493  -1.493
  463   1HD   ARG  57           HD2      ARG  57 -24.478   0.712   0.712
  464   2HD   ARG  57           HD1      ARG  57 -24.651   0.426   0.426
  465    HE   ARG  57           HE       ARG  57 -22.716  -0.878  -0.878
  466   1HH1  ARG  57          HH21      ARG  57 -23.037  -3.378  -3.378
  467   2HH1  ARG  57          HH22      ARG  57 -22.840  -3.755  -3.755
  468   1HH2  ARG  57          HH11      ARG  57 -23.194  -0.463  -0.463
  469   2HH2  ARG  57          HH12      ARG  57 -22.930  -2.101  -2.101
  470    HA   PRO  58           HA       PRO  58 -28.434  -2.994  -2.994
  471   1HB   PRO  58           HB2      PRO  58 -31.154  -3.206  -3.206
  472   2HB   PRO  58           HB1      PRO  58 -30.001  -3.680  -3.680
  473   1HG   PRO  58           HG2      PRO  58 -31.792  -1.367  -1.367
  474   2HG   PRO  58           HG1      PRO  58 -31.051  -2.141  -2.141
  475   1HD   PRO  58           HD2      PRO  58 -30.267   0.209   0.209
  476   2HD   PRO  58           HD1      PRO  58 -29.533  -0.383  -0.383
  477    H    SER  59           HN       SER  59 -29.019   0.117   0.117
  478    HA   SER  59           HA       SER  59 -30.402  -0.754  -0.754
  479   1HB   SER  59           HB2      SER  59 -30.512   1.891   1.891
  480   2HB   SER  59           HB1      SER  59 -31.149   1.503   1.503
  481    HG   SER  59           HG       SER  59 -32.867   0.714   0.714
  482    H    GLN  60           HN       GLN  60 -29.574   0.026   0.026
  483    HA   GLN  60           HA       GLN  60 -27.324   1.920   1.920
  484   1HB   GLN  60           HB2      GLN  60 -27.186  -1.044  -1.044
  485   2HB   GLN  60           HB1      GLN  60 -26.087   0.053   0.053
  486   1HG   GLN  60           HG2      GLN  60 -24.834   0.504   0.504
  487   2HG   GLN  60           HG1      GLN  60 -26.105   0.600   0.600
  488   1HE2  GLN  60          HE22      GLN  60 -25.278  -2.545  -2.545
  489   2HE2  GLN  60          HE21      GLN  60 -25.720  -0.923  -0.923
  490    H    GLY  61           HN       GLY  61 -27.287   0.036   0.036
  491   1HA   GLY  61           HA2      GLY  61 -28.415   0.148   0.148
  492   2HA   GLY  61           HA1      GLY  61 -29.580   1.265   1.265
  493    H    GLY  62           HN       GLY  62 -26.072   1.140   1.140
  494   1HA   GLY  62           HA2      GLY  62 -24.730   2.734   2.734
  495   2HA   GLY  62           HA1      GLY  62 -26.194   3.587   3.587
  496    H    GLN  63           HN       GLN  63 -25.837   2.836   2.836
  497    HA   GLN  63           HA       GLN  63 -25.832   5.648   5.648
  498   1HB   GLN  63           HB2      GLN  63 -25.907   2.980   2.980
  499   2HB   GLN  63           HB1      GLN  63 -25.594   4.294   4.294
  500   1HG   GLN  63           HG2      GLN  63 -27.785   3.971   3.971
  501   2HG   GLN  63           HG1      GLN  63 -28.017   3.630   3.630
  502   1HE2  GLN  63          HE22      GLN  63 -27.383   7.423   7.423
  503   2HE2  GLN  63          HE21      GLN  63 -26.365   6.087   6.087
  504    H    THR  64           HN       THR  64 -23.388   3.193   3.193
  505    HA   THR  64           HA       THR  64 -21.083   3.150   3.150
  506    HB   THR  64           HB       THR  64 -21.669   6.044   6.044
  507    HG1  THR  64           HG1      THR  64 -21.919   5.205   5.205
  508   1HG2  THR  64          HG23      THR  64 -19.198   4.701   4.701
  509   2HG2  THR  64          HG22      THR  64 -19.063   5.507   5.507
  510   3HG2  THR  64          HG21      THR  64 -19.538   6.425   6.425
  511    H    HIS  65           HN       HIS  65 -22.483   2.999   2.999
  512    HA   HIS  65           HA       HIS  65 -21.955   5.092   5.092
  513   1HB   HIS  65           HB2      HIS  65 -22.900   2.271   2.271
  514   2HB   HIS  65           HB1      HIS  65 -22.457   2.924   2.924
  515    HD1  HIS  65           HD1      HIS  65 -25.322   2.033   2.033
  516    HD2  HIS  65           HD2      HIS  65 -23.919   5.965   5.965
  517    HE1  HIS  65           HE1      HIS  65 -27.364   3.524   3.524
  518    H    GLN  66           HN       GLN  66 -20.747   3.814   3.814
  519    HA   GLN  66           HA       GLN  66 -18.038   3.065   3.065
  520   1HB   GLN  66           HB2      GLN  66 -18.983   5.064   5.064
  521   2HB   GLN  66           HB1      GLN  66 -17.361   4.387   4.387
  522   1HG   GLN  66           HG2      GLN  66 -16.925   6.268   6.268
  523   2HG   GLN  66           HG1      GLN  66 -16.997   4.944   4.944
  524   1HE2  GLN  66          HE22      GLN  66 -20.585   6.856   6.856
  525   2HE2  GLN  66          HE21      GLN  66 -20.110   5.960   5.960
  526    H    ASP  67           HN       ASP  67 -19.965   3.205   3.205
  527    HA   ASP  67           HA       ASP  67 -18.539   0.974   0.974
  528   1HB   ASP  67           HB2      ASP  67 -19.335   2.819   2.819
  529   2HB   ASP  67           HB1      ASP  67 -20.990   2.600   2.600
  530    HA   PRO  68           HA       PRO  68 -22.550  -1.393  -1.393
  531   1HB   PRO  68           HB2      PRO  68 -24.514  -0.287  -0.287
  532   2HB   PRO  68           HB1      PRO  68 -24.356  -0.026  -0.026
  533   1HG   PRO  68           HG2      PRO  68 -23.758   1.816   1.816
  534   2HG   PRO  68           HG1      PRO  68 -24.142   2.181   2.181
  535   1HD   PRO  68           HD2      PRO  68 -21.595   2.096   2.096
  536   2HD   PRO  68           HD1      PRO  68 -21.980   2.523   2.523
  537    H    ILE  69           HN       ILE  69 -21.021   0.267   0.267
  538    HA   ILE  69           HA       ILE  69 -21.710  -2.011  -2.011
  539    HB   ILE  69           HB       ILE  69 -22.419   0.582   0.582
  540   1HG1  ILE  69          HG12      ILE  69 -22.733  -1.638  -1.638
  541   2HG1  ILE  69          HG11      ILE  69 -23.358  -0.047  -0.047
  542   1HG2  ILE  69          HG23      ILE  69 -19.994   1.238   1.238
  543   2HG2  ILE  69          HG22      ILE  69 -19.990   0.418   0.418
  544   3HG2  ILE  69          HG21      ILE  69 -21.039   1.804   1.804
  545   1HD1  ILE  69          HD12      ILE  69 -20.578  -0.566  -0.566
  546   2HD1  ILE  69          HD11      ILE  69 -21.798  -1.506  -1.506
  547   3HD1  ILE  69          HD13      ILE  69 -21.869   0.256   0.256
  548    HA   PRO  70           HA       PRO  70 -16.944  -1.094  -1.094
  549   1HB   PRO  70           HB2      PRO  70 -16.051  -2.613  -2.613
  550   2HB   PRO  70           HB1      PRO  70 -16.430  -0.875  -0.875
  551   1HG   PRO  70           HG2      PRO  70 -18.062  -3.253  -3.253
  552   2HG   PRO  70           HG1      PRO  70 -17.833  -1.728  -1.728
  553   1HD   PRO  70           HD2      PRO  70 -20.045  -2.240  -2.240
  554   2HD   PRO  70           HD1      PRO  70 -19.366  -0.589  -0.589
  555    H    LYS  71           HN       LYS  71 -19.178  -3.628  -3.628
  556    HA   LYS  71           HA       LYS  71 -17.690  -6.012  -6.012
  557   1HB   LYS  71           HB2      LYS  71 -20.349  -4.919  -4.919
  558   2HB   LYS  71           HB1      LYS  71 -19.924  -6.600  -6.600
  559   1HG   LYS  71           HG2      LYS  71 -21.172  -6.541  -6.541
  560   2HG   LYS  71           HG1      LYS  71 -19.682  -7.040  -7.040
  561   1HD   LYS  71           HD2      LYS  71 -20.791  -4.163  -4.163
  562   2HD   LYS  71           HD1      LYS  71 -21.783  -5.262  -5.262
  563   1HE   LYS  71           HE2      LYS  71 -18.855  -5.047  -5.047
  564   2HE   LYS  71           HE1      LYS  71 -20.061  -3.931  -3.931
  565   1HZ   LYS  71           HZ1      LYS  71 -21.418  -5.848  -5.848
  566   2HZ   LYS  71           HZ3      LYS  71 -20.204  -6.898  -6.898
  567   3HZ   LYS  71           HZ2      LYS  71 -19.904  -5.875  -5.875
  568    H    GLN  72           HN       GLN  72 -19.126  -3.656  -3.656
  569    HA   GLN  72           HA       GLN  72 -17.178  -3.938  -3.938
  570   1HB   GLN  72           HB2      GLN  72 -19.329  -5.098  -5.098
  571   2HB   GLN  72           HB1      GLN  72 -17.992  -6.008  -6.008
  572   1HG   GLN  72           HG2      GLN  72 -20.059  -6.942  -6.942
  573   2HG   GLN  72           HG1      GLN  72 -19.590  -6.222  -6.222
  574   1HE2  GLN  72          HE22      GLN  72 -22.381  -3.865  -3.865
  575   2HE2  GLN  72          HE21      GLN  72 -20.882  -4.083  -4.083
  576    HA   PRO  73           HA       PRO  73 -19.521  -0.513  -0.513
  577   1HB   PRO  73           HB2      PRO  73 -20.326  -1.092  -1.092
  578   2HB   PRO  73           HB1      PRO  73 -18.613  -0.740  -0.740
  579   1HG   PRO  73           HG2      PRO  73 -19.891  -3.445  -3.445
  580   2HG   PRO  73           HG1      PRO  73 -18.375  -2.893  -2.893
  581   1HD   PRO  73           HD2      PRO  73 -18.418  -4.389  -4.389
  582   2HD   PRO  73           HD1      PRO  73 -17.287  -3.037  -3.037
  583    H    SER  74           HN       SER  74 -21.170  -3.551  -3.551
  584    HA   SER  74           HA       SER  74 -23.390  -4.268  -4.268
  585   1HB   SER  74           HB2      SER  74 -23.695  -4.083  -4.083
  586   2HB   SER  74           HB1      SER  74 -22.670  -2.776  -2.776
  587    HG   SER  74           HG       SER  74 -25.392  -2.981  -2.981
  588    H    SER  75           HN       SER  75 -24.556  -3.763  -3.763
  589    HA   SER  75           HA       SER  75 -26.270  -2.655  -2.655
  590   1HB   SER  75           HB2      SER  75 -26.490  -1.725  -1.725
  591   2HB   SER  75           HB1      SER  75 -26.153  -0.226  -0.226
  592    HG   SER  75           HG       SER  75 -28.164  -0.283  -0.283
  593    H    GLN  76           HN       GLN  76 -23.267  -1.015  -1.015
  594    HA   GLN  76           HA       GLN  76 -23.495   1.059   1.059
  595   1HB   GLN  76           HB2      GLN  76 -21.464   0.022   0.022
  596   2HB   GLN  76           HB1      GLN  76 -20.893   0.995   0.995
  597   1HG   GLN  76           HG2      GLN  76 -21.432   2.812   2.812
  598   2HG   GLN  76           HG1      GLN  76 -23.124   2.381   2.381
  599   1HE2  GLN  76          HE22      GLN  76 -23.374   0.833   0.833
  600   2HE2  GLN  76          HE21      GLN  76 -23.969   0.699   0.699
  601    HA   PRO  77           HA       PRO  77 -20.586  -1.932  -1.932
  602   1HB   PRO  77           HB2      PRO  77 -20.523  -4.574  -4.574
  603   2HB   PRO  77           HB1      PRO  77 -19.432  -3.319  -3.319
  604   1HG   PRO  77           HG2      PRO  77 -21.882  -4.539  -4.539
  605   2HG   PRO  77           HG1      PRO  77 -20.390  -4.069  -4.069
  606   1HD   PRO  77           HD2      PRO  77 -22.764  -2.721  -2.721
  607   2HD   PRO  77           HD1      PRO  77 -21.235  -1.954  -1.954
  608    H    ARG  78           HN       ARG  78 -23.798  -2.656  -2.656
  609    HA   ARG  78           HA       ARG  78 -24.411  -3.724  -3.724
  610   1HB   ARG  78           HB2      ARG  78 -25.725  -5.572  -5.572
  611   2HB   ARG  78           HB1      ARG  78 -23.964  -5.672  -5.672
  612   1HG   ARG  78           HG2      ARG  78 -24.341  -4.515  -4.515
  613   2HG   ARG  78           HG1      ARG  78 -26.071  -4.514  -4.514
  614   1HD   ARG  78           HD2      ARG  78 -26.063  -6.995  -6.995
  615   2HD   ARG  78           HD1      ARG  78 -24.318  -6.984  -6.984
  616    HE   ARG  78           HE       ARG  78 -25.882  -5.378  -5.378
  617   1HH1  ARG  78          HH11      ARG  78 -23.255  -7.015  -7.015
  618   2HH1  ARG  78          HH12      ARG  78 -23.801  -8.215  -8.215
  619   1HH2  ARG  78          HH21      ARG  78 -27.171  -7.553  -7.553
  620   2HH2  ARG  78          HH22      ARG  78 -26.023  -8.520  -8.520
  621    H    GLY  79           HN       GLY  79 -25.035  -1.150  -1.150
  622   1HA   GLY  79           HA2      GLY  79 -28.001  -1.246  -1.246
  623   2HA   GLY  79           HA1      GLY  79 -27.327  -0.631  -0.631
  624    H    ASP  80           HN       ASP  80 -27.146   1.533   1.533
  625    HA   ASP  80           HA       ASP  80 -27.369   3.159   3.159
  626   1HB   ASP  80           HB2      ASP  80 -28.336   3.779   3.779
  627   2HB   ASP  80           HB1      ASP  80 -26.713   3.805   3.805
  628    HA   PRO  81           HA       PRO  81 -23.027   3.335   3.335
  629   1HB   PRO  81           HB2      PRO  81 -23.022   5.594   5.594
  630   2HB   PRO  81           HB1      PRO  81 -23.605   4.022   4.022
  631   1HG   PRO  81           HG2      PRO  81 -25.165   6.355   6.355
  632   2HG   PRO  81           HG1      PRO  81 -25.497   5.313   5.313
  633   1HD   PRO  81           HD2      PRO  81 -26.769   5.019   5.019
  634   2HD   PRO  81           HD1      PRO  81 -26.404   3.639   3.639
  635    H    THR  82           HN       THR  82 -22.445   3.838   3.838
  636    HA   THR  82           HA       THR  82 -22.579   6.525   6.525
  637    HB   THR  82           HB       THR  82 -20.693   5.291   5.291
  638    HG1  THR  82           HG1      THR  82 -20.429   3.439   3.439
  639   1HG2  THR  82          HG23      THR  82 -23.321   5.894   5.894
  640   2HG2  THR  82          HG22      THR  82 -23.400   4.134   4.134
  641   3HG2  THR  82          HG21      THR  82 -22.392   5.015   5.015
  642    H    GLY  83           HN       GLY  83 -19.881   4.567   4.567
  643   1HA   GLY  83           HA2      GLY  83 -18.605   6.537   6.537
  644   2HA   GLY  83           HA1      GLY  83 -18.039   6.773   6.773
  645    HA   PRO  84           HA       PRO  84 -15.310   3.423   3.423
  646   1HB   PRO  84           HB2      PRO  84 -13.736   3.634   3.634
  647   2HB   PRO  84           HB1      PRO  84 -13.695   4.801   4.801
  648   1HG   PRO  84           HG2      PRO  84 -14.717   5.138   5.138
  649   2HG   PRO  84           HG1      PRO  84 -14.426   6.357   6.357
  650   1HD   PRO  84           HD2      PRO  84 -16.875   4.966   4.966
  651   2HD   PRO  84           HD1      PRO  84 -16.817   6.496   6.496
  652    H    LYS  85           HN       LYS  85 -17.691   3.212   3.212
  653    HA   LYS  85           HA       LYS  85 -16.723   0.735   0.735
  654   1HB   LYS  85           HB2      LYS  85 -19.358   2.236   2.236
  655   2HB   LYS  85           HB1      LYS  85 -18.805   0.954   0.954
  656   1HG   LYS  85           HG2      LYS  85 -16.757   2.507   2.507
  657   2HG   LYS  85           HG1      LYS  85 -17.737   3.764   3.764
  658   1HD   LYS  85           HD2      LYS  85 -18.078   3.906   3.906
  659   2HD   LYS  85           HD1      LYS  85 -19.548   3.298   3.298
  660   1HE   LYS  85           HE2      LYS  85 -19.300   1.168   1.168
  661   2HE   LYS  85           HE1      LYS  85 -17.539   1.255   1.255
  662   1HZ   LYS  85           HZ1      LYS  85 -17.700   2.915   2.915
  663   2HZ   LYS  85           HZ3      LYS  85 -19.393   2.802   2.802
  664   3HZ   LYS  85           HZ2      LYS  85 -18.461   1.471   1.471
  665    H    GLU  86           HN       GLU  86 -17.909   1.327   1.327
  666    HA   GLU  86           HA       GLU  86 -20.039  -0.640  -0.640
  667   1HB   GLU  86           HB2      GLU  86 -18.269   0.841   0.841
  668   2HB   GLU  86           HB1      GLU  86 -19.660  -0.157  -0.157
  669   1HG   GLU  86           HG2      GLU  86 -21.060   1.262   1.262
  670   2HG   GLU  86           HG1      GLU  86 -19.566   2.275   2.275

  Start of MODEL    6
    1   1H    LEU   1           HT2      LEU   1 -24.692  20.868  20.868
    2   2H    LEU   1           HT1      LEU   1 -23.651  21.557  21.557
    3   3H    LEU   1           HT3      LEU   1 -25.233  21.128  21.128
    4    HA   LEU   1           HA       LEU   1 -23.821  19.440  19.440
    5   1HB   LEU   1           HB2      LEU   1 -22.122  18.420  18.420
    6   2HB   LEU   1           HB1      LEU   1 -21.953  20.177  20.177
    7    HG   LEU   1           HG       LEU   1 -23.791  19.345  19.345
    8   1HD1  LEU   1          HD13      LEU   1 -22.626  17.097  17.097
    9   2HD1  LEU   1          HD12      LEU   1 -21.194  17.846  17.846
   10   3HD1  LEU   1          HD11      LEU   1 -22.666  17.683  17.683
   11   1HD2  LEU   1          HD21      LEU   1 -22.061  21.266  21.266
   12   2HD2  LEU   1          HD23      LEU   1 -22.384  20.517  20.517
   13   3HD2  LEU   1          HD22      LEU   1 -20.933  20.081  20.081
   14    H    ASP   2           HN       ASP   2 -24.018  17.040  17.040
   15    HA   ASP   2           HA       ASP   2 -25.507  15.249  15.249
   16   1HB   ASP   2           HB2      ASP   2 -24.238  15.961  15.961
   17   2HB   ASP   2           HB1      ASP   2 -25.906  16.306  16.306
   18    HA   PRO   3           HA       PRO   3 -29.335  17.894  17.894
   19   1HB   PRO   3           HB2      PRO   3 -29.753  18.147  18.147
   20   2HB   PRO   3           HB1      PRO   3 -28.766  19.276  19.276
   21   1HG   PRO   3           HG2      PRO   3 -27.906  17.163  17.163
   22   2HG   PRO   3           HG1      PRO   3 -27.107  18.664  18.664
   23   1HD   PRO   3           HD2      PRO   3 -26.717  15.985  15.985
   24   2HD   PRO   3           HD1      PRO   3 -25.791  17.419  17.419
   25    H    VAL   4           HN       VAL   4 -29.449  16.121  16.121
   26    HA   VAL   4           HA       VAL   4 -31.628  14.385  14.385
   27    HB   VAL   4           HB       VAL   4 -29.804  14.693  14.693
   28   1HG1  VAL   4          HG11      VAL   4 -31.852  12.500  12.500
   29   2HG1  VAL   4          HG13      VAL   4 -31.257  13.024  13.024
   30   3HG1  VAL   4          HG12      VAL   4 -30.144  12.322  12.322
   31   1HG2  VAL   4          HG23      VAL   4 -32.724  15.134  15.134
   32   2HG2  VAL   4          HG22      VAL   4 -31.543  16.286  16.286
   33   3HG2  VAL   4          HG21      VAL   4 -32.167  15.010  15.010
   34    H    ASP   5           HN       ASP   5 -28.274  13.912  13.912
   35    HA   ASP   5           HA       ASP   5 -27.691  12.017  12.017
   36   1HB   ASP   5           HB2      ASP   5 -28.225  11.204  11.204
   37   2HB   ASP   5           HB1      ASP   5 -26.879  10.386  10.386
   38    HA   PRO   6           HA       PRO   6 -23.796  13.559  13.559
   39   1HB   PRO   6           HB2      PRO   6 -23.503  13.582  13.582
   40   2HB   PRO   6           HB1      PRO   6 -23.322  12.095  12.095
   41   1HG   PRO   6           HG2      PRO   6 -25.481  12.879  12.879
   42   2HG   PRO   6           HG1      PRO   6 -25.080  11.270  11.270
   43   1HD   PRO   6           HD2      PRO   6 -27.130  13.116  13.116
   44   2HD   PRO   6           HD1      PRO   6 -26.786  11.418  11.418
   45    H    ASN   7           HN       ASN   7 -22.995  15.536  15.536
   46    HA   ASN   7           HA       ASN   7 -24.850  17.717  17.717
   47   1HB   ASN   7           HB2      ASN   7 -22.203  17.414  17.414
   48   2HB   ASN   7           HB1      ASN   7 -23.062  18.962  18.962
   49   1HD2  ASN   7          HD22      ASN   7 -21.382  17.509  17.509
   50   2HD2  ASN   7          HD21      ASN   7 -21.587  16.470  16.470
   51    H    ILE   8           HN       ILE   8 -23.679  16.230  16.230
   52    HA   ILE   8           HA       ILE   8 -26.246  17.113  17.113
   53    HB   ILE   8           HB       ILE   8 -25.119  18.062  18.062
   54   1HG1  ILE   8          HG12      ILE   8 -23.588  16.237  16.237
   55   2HG1  ILE   8          HG11      ILE   8 -22.702  17.738  17.738
   56   1HG2  ILE   8          HG21      ILE   8 -24.783  19.364  19.364
   57   2HG2  ILE   8          HG23      ILE   8 -23.201  18.602  18.602
   58   3HG2  ILE   8          HG22      ILE   8 -23.534  19.650  19.650
   59   1HD1  ILE   8          HD12      ILE   8 -22.228  17.076  17.076
   60   2HD1  ILE   8          HD11      ILE   8 -22.716  15.457  15.457
   61   3HD1  ILE   8          HD13      ILE   8 -21.345  16.247  16.247
   62    H    GLU   9           HN       GLU   9 -24.878  14.451  14.451
   63    HA   GLU   9           HA       GLU   9 -24.704  12.211  12.211
   64   1HB   GLU   9           HB2      GLU   9 -27.045  13.411  13.411
   65   2HB   GLU   9           HB1      GLU   9 -26.588  11.712  11.712
   66   1HG   GLU   9           HG2      GLU   9 -26.818  11.436  11.436
   67   2HG   GLU   9           HG1      GLU   9 -27.253  13.140  13.140
   68    HA   PRO  10           HA       PRO  10 -22.524  13.275  13.275
   69   1HB   PRO  10           HB2      PRO  10 -19.956  13.280  13.280
   70   2HB   PRO  10           HB1      PRO  10 -21.192  14.617  14.617
   71   1HG   PRO  10           HG2      PRO  10 -20.082  12.904  12.904
   72   2HG   PRO  10           HG1      PRO  10 -20.711  14.541  14.541
   73   1HD   PRO  10           HD2      PRO  10 -22.040  12.039  12.039
   74   2HD   PRO  10           HD1      PRO  10 -22.684  13.686  13.686
   75    H    TRP  11           HN       TRP  11 -23.260  10.568  10.568
   76    HA   TRP  11           HA       TRP  11 -20.945   8.942   8.942
   77   1HB   TRP  11           HB2      TRP  11 -23.440   8.017   8.017
   78   2HB   TRP  11           HB1      TRP  11 -21.908   7.182   7.182
   79    HD1  TRP  11           HD1      TRP  11 -22.958  10.398  10.398
   80    HE1  TRP  11           HE1      TRP  11 -21.432  10.638  10.638
   81    HE3  TRP  11           HE3      TRP  11 -19.958   6.308   6.308
   82    HZ2  TRP  11           HZ2      TRP  11 -19.238   9.265   9.265
   83    HZ3  TRP  11           HZ3      TRP  11 -18.170   5.807   5.807
   84    HH2  TRP  11           HH2      TRP  11 -17.809   7.275   7.275
   85    H    ASN  12           HN       ASN  12 -22.435  10.331  10.331
   86    HA   ASN  12           HA       ASN  12 -24.005   8.168   8.168
   87   1HB   ASN  12           HB2      ASN  12 -24.557  11.099  11.099
   88   2HB   ASN  12           HB1      ASN  12 -25.642   9.741   9.741
   89   1HD2  ASN  12          HD22      ASN  12 -25.332  10.550  10.550
   90   2HD2  ASN  12          HD21      ASN  12 -24.090  11.047  11.047
   91    H    HIS  13           HN       HIS  13 -21.608   8.078   8.078
   92    HA   HIS  13           HA       HIS  13 -21.078  10.133  10.133
   93   1HB   HIS  13           HB2      HIS  13 -19.515   7.926   7.926
   94   2HB   HIS  13           HB1      HIS  13 -18.844   8.804   8.804
   95    HD1  HIS  13           HD1      HIS  13 -17.165   9.259   9.259
   96    HD2  HIS  13           HD2      HIS  13 -20.712  11.422  11.422
   97    HE1  HIS  13           HE1      HIS  13 -16.899  11.302  11.302
   98    HA   PRO  14           HA       PRO  14 -21.924   7.185   7.185
   99   1HB   PRO  14           HB2      PRO  14 -19.969   7.872   7.872
  100   2HB   PRO  14           HB1      PRO  14 -21.408   8.862   8.862
  101   1HG   PRO  14           HG2      PRO  14 -18.620   9.155   9.155
  102   2HG   PRO  14           HG1      PRO  14 -19.827  10.413  10.413
  103   1HD   PRO  14           HD2      PRO  14 -18.941   9.421   9.421
  104   2HD   PRO  14           HD1      PRO  14 -20.356  10.491  10.491
  105    H    GLY  15           HN       GLY  15 -18.715   7.337   7.337
  106   1HA   GLY  15           HA2      GLY  15 -17.196   5.684   5.684
  107   2HA   GLY  15           HA1      GLY  15 -18.276   4.461   4.461
  108    H    SER  16           HN       SER  16 -17.418   7.448   7.448
  109    HA   SER  16           HA       SER  16 -15.228   6.250   6.250
  110   1HB   SER  16           HB2      SER  16 -17.515   5.585   5.585
  111   2HB   SER  16           HB1      SER  16 -17.777   7.298   7.298
  112    HG   SER  16           HG       SER  16 -16.781   5.728   5.728
  113    H    GLN  17           HN       GLN  17 -16.260   8.875   8.875
  114    HA   GLN  17           HA       GLN  17 -14.751  10.745  10.745
  115   1HB   GLN  17           HB2      GLN  17 -17.599  11.042  11.042
  116   2HB   GLN  17           HB1      GLN  17 -16.492  12.420  12.420
  117   1HG   GLN  17           HG2      GLN  17 -16.185  11.226  11.226
  118   2HG   GLN  17           HG1      GLN  17 -17.495  10.143  10.143
  119   1HE2  GLN  17          HE22      GLN  17 -19.112  12.827  12.827
  120   2HE2  GLN  17          HE21      GLN  17 -18.058  11.522  11.522
  121    HA   PRO  18           HA       PRO  18 -14.623  12.603  12.603
  122   1HB   PRO  18           HB2      PRO  18 -16.179  11.519  11.519
  123   2HB   PRO  18           HB1      PRO  18 -16.734  12.823  12.823
  124   1HG   PRO  18           HG2      PRO  18 -17.213   9.883   9.883
  125   2HG   PRO  18           HG1      PRO  18 -18.370  11.212  11.212
  126   1HD   PRO  18           HD2      PRO  18 -17.230   9.791   9.791
  127   2HD   PRO  18           HD1      PRO  18 -17.694  11.516  11.516
  128    H    LYS  19           HN       LYS  19 -14.631   9.265   9.265
  129    HA   LYS  19           HA       LYS  19 -12.575   8.740   8.740
  130   1HB   LYS  19           HB2      LYS  19 -14.408   6.696   6.696
  131   2HB   LYS  19           HB1      LYS  19 -13.548   6.615   6.615
  132   1HG   LYS  19           HG2      LYS  19 -15.012   8.458   8.458
  133   2HG   LYS  19           HG1      LYS  19 -15.842   8.439   8.439
  134   1HD   LYS  19           HD2      LYS  19 -17.197   7.132   7.132
  135   2HD   LYS  19           HD1      LYS  19 -16.329   5.969   5.969
  136   1HE   LYS  19           HE2      LYS  19 -14.603   5.790   5.790
  137   2HE   LYS  19           HE1      LYS  19 -15.677   6.788   6.788
  138   1HZ   LYS  19           HZ2      LYS  19 -16.524   4.310   4.310
  139   2HZ   LYS  19           HZ1      LYS  19 -16.074   4.356   4.356
  140   3HZ   LYS  19           HZ3      LYS  19 -17.438   5.215   5.215
  141    H    THR  20           HN       THR  20 -13.007   9.165   9.165
  142    HA   THR  20           HA       THR  20 -10.686   7.428   7.428
  143    HB   THR  20           HB       THR  20 -13.440   7.355   7.355
  144    HG1  THR  20           HG1      THR  20 -13.521   5.645   5.645
  145   1HG2  THR  20          HG21      THR  20 -10.948   7.135   7.135
  146   2HG2  THR  20          HG23      THR  20 -11.611   5.506   5.506
  147   3HG2  THR  20          HG22      THR  20 -12.556   6.781   6.781
  148    H    ALA  21           HN       ALA  21 -12.959   9.964   9.964
  149    HA   ALA  21           HA       ALA  21 -11.356  10.738  10.738
  150   1HB   ALA  21           HB3      ALA  21 -13.518  12.173  12.173
  151   2HB   ALA  21           HB2      ALA  21 -12.913  12.678  12.678
  152   3HB   ALA  21           HB1      ALA  21 -13.755  11.138  11.138
  153    H    SER  22           HN       SER  22  -9.275  10.781  10.781
  154    HA   SER  22           HA       SER  22  -7.616  12.000  12.000
  155   1HB   SER  22           HB2      SER  22  -6.970  13.753  13.753
  156   2HB   SER  22           HB1      SER  22  -8.211  12.745  12.745
  157    HG   SER  22           HG       SER  22  -9.422  14.412  14.412
  158    H    ASN  23           HN       ASN  23 -10.008  11.872  11.872
  159    HA   ASN  23           HA       ASN  23 -10.818  14.475  14.475
  160   1HB   ASN  23           HB2      ASN  23 -12.281  13.131  13.131
  161   2HB   ASN  23           HB1      ASN  23 -12.022  12.271  12.271
  162   1HD2  ASN  23          HD22      ASN  23 -10.267   9.531   9.531
  163   2HD2  ASN  23          HD21      ASN  23 -10.703  10.328  10.328
  164    H    ARG  24           HN       ARG  24 -10.851  13.794  13.794
  165    HA   ARG  24           HA       ARG  24  -8.510  14.969  14.969
  166   1HB   ARG  24           HB2      ARG  24 -10.493  13.019  13.019
  167   2HB   ARG  24           HB1      ARG  24  -9.447  13.962  13.962
  168   1HG   ARG  24           HG2      ARG  24 -10.634  15.899  15.899
  169   2HG   ARG  24           HG1      ARG  24 -11.125  15.424  15.424
  170   1HD   ARG  24           HD2      ARG  24 -12.059  13.982  13.982
  171   2HD   ARG  24           HD1      ARG  24 -12.976  15.389  15.389
  172    HE   ARG  24           HE       ARG  24 -12.467  12.751  12.751
  173   1HH1  ARG  24          HH11      ARG  24 -12.651  15.026  15.026
  174   2HH1  ARG  24          HH12      ARG  24 -14.342  15.047  15.047
  175   1HH2  ARG  24          HH21      ARG  24 -15.243  13.118  13.118
  176   2HH2  ARG  24          HH22      ARG  24 -15.813  13.967  13.967
  177    H    ALA  25           HN       ALA  25  -9.338  11.592  11.592
  178    HA   ALA  25           HA       ALA  25  -8.033   9.630   9.630
  179   1HB   ALA  25           HB3      ALA  25  -7.543  10.766  10.766
  180   2HB   ALA  25           HB2      ALA  25  -5.951  11.032  11.032
  181   3HB   ALA  25           HB1      ALA  25  -6.579   9.391   9.391
  182    H    HIS  26           HN       HIS  26  -7.749  11.432  11.432
  183    HA   HIS  26           HA       HIS  26  -5.186  10.607  10.607
  184   1HB   HIS  26           HB2      HIS  26  -4.488  13.126  13.126
  185   2HB   HIS  26           HB1      HIS  26  -4.227  12.281  12.281
  186    HD1  HIS  26           HD1      HIS  26  -4.211  14.887  14.887
  187    HD2  HIS  26           HD2      HIS  26  -7.882  13.328  13.328
  188    HE1  HIS  26           HE1      HIS  26  -6.000  16.382  16.382
  189    H    ALA  27           HN       ALA  27  -6.615  13.686  13.686
  190    HA   ALA  27           HA       ALA  27  -7.024  12.960  12.960
  191   1HB   ALA  27           HB2      ALA  27  -8.363  14.981  14.981
  192   2HB   ALA  27           HB1      ALA  27  -8.553  14.977  14.977
  193   3HB   ALA  27           HB3      ALA  27  -6.963  15.249  15.249
  194    H    LYS  28           HN       LYS  28  -9.003  12.243  12.243
  195    HA   LYS  28           HA       LYS  28 -11.562  11.868  11.868
  196   1HB   LYS  28           HB2      LYS  28 -11.212  12.031  12.031
  197   2HB   LYS  28           HB1      LYS  28 -10.111  10.626  10.626
  198   1HG   LYS  28           HG2      LYS  28 -12.141   9.252   9.252
  199   2HG   LYS  28           HG1      LYS  28 -13.142  10.682  10.682
  200   1HD   LYS  28           HD2      LYS  28 -13.420   9.537   9.537
  201   2HD   LYS  28           HD1      LYS  28 -12.164  10.708  10.708
  202   1HE   LYS  28           HE2      LYS  28 -10.434   8.950   8.950
  203   2HE   LYS  28           HE1      LYS  28 -11.744   7.777   7.777
  204   1HZ   LYS  28           HZ3      LYS  28 -12.579   8.408   8.408
  205   2HZ   LYS  28           HZ2      LYS  28 -11.231   9.423   9.423
  206   3HZ   LYS  28           HZ1      LYS  28 -11.020   7.742   7.742
  207    H    LYS  29           HN       LYS  29  -8.745   9.736   9.736
  208    HA   LYS  29           HA       LYS  29  -9.949   7.893   7.893
  209   1HB   LYS  29           HB2      LYS  29  -9.895   6.025   6.025
  210   2HB   LYS  29           HB1      LYS  29 -10.478   7.304   7.304
  211   1HG   LYS  29           HG2      LYS  29  -7.592   6.358   6.358
  212   2HG   LYS  29           HG1      LYS  29  -8.723   5.935   5.935
  213   1HD   LYS  29           HD2      LYS  29  -8.956   8.477   8.477
  214   2HD   LYS  29           HD1      LYS  29  -7.558   8.645   8.645
  215   1HE   LYS  29           HE2      LYS  29  -6.471   8.549   8.549
  216   2HE   LYS  29           HE1      LYS  29  -6.421   6.851   6.851
  217   1HZ   LYS  29           HZ1      LYS  29  -8.614   8.047   8.047
  218   2HZ   LYS  29           HZ3      LYS  29  -7.307   7.200   7.200
  219   3HZ   LYS  29           HZ2      LYS  29  -8.395   6.401   6.401
  220    H    SER  30           HN       SER  30  -7.589   9.815   9.815
  221    HA   SER  30           HA       SER  30  -5.091   8.595   8.595
  222   1HB   SER  30           HB2      SER  30  -4.371  10.416  10.416
  223   2HB   SER  30           HB1      SER  30  -5.495  10.942  10.942
  224    HG   SER  30           HG       SER  30  -5.880  11.459  11.459
  225    H    ALA  31           HN       ALA  31  -6.420   9.186   9.186
  226    HA   ALA  31           HA       ALA  31  -6.007   6.403   6.403
  227   1HB   ALA  31           HB3      ALA  31  -4.059   8.622   8.622
  228   2HB   ALA  31           HB2      ALA  31  -4.190   7.184   7.184
  229   3HB   ALA  31           HB1      ALA  31  -3.710   7.032   7.032
  230    H    TYR  32           HN       TYR  32  -8.358   7.456   7.456
  231    HA   TYR  32           HA       TYR  32  -8.583   7.974   7.974
  232   1HB   TYR  32           HB2      TYR  32  -9.736  10.157  10.157
  233   2HB   TYR  32           HB1      TYR  32  -8.146  10.203  10.203
  234    HD1  TYR  32           HD1      TYR  32  -8.645   9.029   9.029
  235    HD2  TYR  32           HD2      TYR  32 -11.283  11.335  11.335
  236    HE1  TYR  32           HE1      TYR  32  -9.921   9.731   9.731
  237    HE2  TYR  32           HE2      TYR  32 -12.562  12.031  12.031
  238    HH   TYR  32           HH       TYR  32 -11.622  12.105  12.105
  239    H    HIS  33           HN       HIS  33  -9.340   5.766   5.766
  240    HA   HIS  33           HA       HIS  33 -11.145   4.311   4.311
  241   1HB   HIS  33           HB2      HIS  33 -12.419   6.425   6.425
  242   2HB   HIS  33           HB1      HIS  33 -13.197   4.901   4.901
  243    HD1  HIS  33           HD1      HIS  33 -12.434   2.785   2.785
  244    HD2  HIS  33           HD2      HIS  33 -10.060   6.084   6.084
  245    HE1  HIS  33           HE1      HIS  33 -10.912   2.063   2.063
  246    H    SER  34           HN       SER  34 -10.817   7.082   7.082
  247    HA   SER  34           HA       SER  34 -11.877   8.137   8.137
  248   1HB   SER  34           HB2      SER  34 -12.932   5.337   5.337
  249   2HB   SER  34           HB1      SER  34 -13.051   6.479   6.479
  250    HG   SER  34           HG       SER  34 -11.035   4.893   4.893
  251    H    GLN  35           HN       GLN  35 -13.240   9.555   9.555
  252    HA   GLN  35           HA       GLN  35 -16.057   8.677   8.677
  253   1HB   GLN  35           HB2      GLN  35 -14.478  11.114  11.114
  254   2HB   GLN  35           HB1      GLN  35 -16.140  10.753  10.753
  255   1HG   GLN  35           HG2      GLN  35 -13.613   9.210   9.210
  256   2HG   GLN  35           HG1      GLN  35 -14.726   9.977   9.977
  257   1HE2  GLN  35          HE22      GLN  35 -15.363   6.175   6.175
  258   2HE2  GLN  35          HE21      GLN  35 -13.888   6.991   6.991
  259    H    VAL  36           HN       VAL  36 -14.118  11.035  11.035
  260    HA   VAL  36           HA       VAL  36 -14.677  12.451  12.451
  261    HB   VAL  36           HB       VAL  36 -17.118  10.654  10.654
  262   1HG1  VAL  36          HG12      VAL  36 -15.869  12.589  12.589
  263   2HG1  VAL  36          HG11      VAL  36 -16.438  11.073  11.073
  264   3HG1  VAL  36          HG13      VAL  36 -17.554  12.107  12.107
  265   1HG2  VAL  36          HG22      VAL  36 -14.383   9.847   9.847
  266   2HG2  VAL  36          HG21      VAL  36 -15.859   8.894   8.894
  267   3HG2  VAL  36          HG23      VAL  36 -15.198   9.743   9.743
  268    H    ALA  37           HN       ALA  37 -15.176  13.824  13.824
  269    HA   ALA  37           HA       ALA  37 -16.545  15.428  15.428
  270   1HB   ALA  37           HB2      ALA  37 -16.200  16.325  16.325
  271   2HB   ALA  37           HB1      ALA  37 -17.641  15.470  15.470
  272   3HB   ALA  37           HB3      ALA  37 -17.785  16.778  16.778
  273    H    PHE  38           HN       PHE  38 -17.527  13.264  13.264
  274    HA   PHE  38           HA       PHE  38 -20.306  12.779  12.779
  275   1HB   PHE  38           HB2      PHE  38 -20.147  10.844  10.844
  276   2HB   PHE  38           HB1      PHE  38 -18.619  10.997  10.997
  277    HD1  PHE  38           HD1      PHE  38 -17.770  13.379  13.379
  278    HD2  PHE  38           HD2      PHE  38 -19.174   9.339   9.339
  279    HE1  PHE  38           HE1      PHE  38 -16.624  13.192  13.192
  280    HE2  PHE  38           HE2      PHE  38 -18.030   9.165   9.165
  281    HZ   PHE  38           HZ       PHE  38 -16.757  11.089  11.089
  282    H    ILE  39           HN       ILE  39 -20.902  12.028  12.028
  283    HA   ILE  39           HA       ILE  39 -22.550  14.245  14.245
  284    HB   ILE  39           HB       ILE  39 -22.732  13.111  13.111
  285   1HG1  ILE  39          HG12      ILE  39 -21.080  10.859  10.859
  286   2HG1  ILE  39          HG11      ILE  39 -20.130  12.168  12.168
  287   1HG2  ILE  39          HG21      ILE  39 -23.440  12.181  12.181
  288   2HG2  ILE  39          HG23      ILE  39 -22.908  10.768  10.768
  289   3HG2  ILE  39          HG22      ILE  39 -24.209  11.779  11.779
  290   1HD1  ILE  39          HD13      ILE  39 -22.478  11.012  11.012
  291   2HD1  ILE  39          HD12      ILE  39 -20.829  10.409  10.409
  292   3HD1  ILE  39          HD11      ILE  39 -21.213  12.067  12.067
  293    H    THR  40           HN       THR  40 -19.258  13.587  13.587
  294    HA   THR  40           HA       THR  40 -19.411  16.221  16.221
  295    HB   THR  40           HB       THR  40 -17.581  13.830  13.830
  296    HG1  THR  40           HG1      THR  40 -19.916  14.648  14.648
  297   1HG2  THR  40          HG23      THR  40 -17.161  16.383  16.383
  298   2HG2  THR  40          HG22      THR  40 -18.114  15.746  15.746
  299   3HG2  THR  40          HG21      THR  40 -16.606  14.954  14.954
  300    H    LYS  41           HN       LYS  41 -17.716  17.726  17.726
  301    HA   LYS  41           HA       LYS  41 -16.327  17.586  17.586
  302   1HB   LYS  41           HB2      LYS  41 -16.284  19.507  19.507
  303   2HB   LYS  41           HB1      LYS  41 -15.426  19.792  19.792
  304   1HG   LYS  41           HG2      LYS  41 -18.381  19.337  19.337
  305   2HG   LYS  41           HG1      LYS  41 -17.632  20.893  20.893
  306   1HD   LYS  41           HD2      LYS  41 -18.147  20.202  20.202
  307   2HD   LYS  41           HD1      LYS  41 -16.581  19.412  19.412
  308   1HE   LYS  41           HE2      LYS  41 -18.154  17.431  17.431
  309   2HE   LYS  41           HE1      LYS  41 -19.330  18.202  18.202
  310   1HZ   LYS  41           HZ2      LYS  41 -17.360  18.095  18.095
  311   2HZ   LYS  41           HZ1      LYS  41 -16.619  17.072  17.072
  312   3HZ   LYS  41           HZ3      LYS  41 -18.082  16.614  16.614
  313    H    GLY  42           HN       GLY  42 -15.573  16.253  16.253
  314   1HA   GLY  42           HA2      GLY  42 -12.682  16.622  16.622
  315   2HA   GLY  42           HA1      GLY  42 -13.544  15.525  15.525
  316    H    LEU  43           HN       LEU  43 -14.820  14.816  14.816
  317    HA   LEU  43           HA       LEU  43 -14.470  13.123  13.123
  318   1HB   LEU  43           HB2      LEU  43 -11.514  13.474  13.474
  319   2HB   LEU  43           HB1      LEU  43 -12.255  12.883  12.883
  320    HG   LEU  43           HG       LEU  43 -12.540  15.696  15.696
  321   1HD1  LEU  43          HD13      LEU  43 -10.543  14.216  14.216
  322   2HD1  LEU  43          HD12      LEU  43 -11.232  15.430  15.430
  323   3HD1  LEU  43          HD11      LEU  43 -10.541  15.917  15.917
  324   1HD2  LEU  43          HD21      LEU  43 -14.565  14.885  14.885
  325   2HD2  LEU  43          HD23      LEU  43 -13.703  16.127  16.127
  326   3HD2  LEU  43          HD22      LEU  43 -13.550  14.430  14.430
  327    H    GLY  44           HN       GLY  44 -14.976  12.391  12.391
  328   1HA   GLY  44           HA2      GLY  44 -14.871  10.487  10.487
  329   2HA   GLY  44           HA1      GLY  44 -14.594   9.592   9.592
  330    H    ILE  45           HN       ILE  45 -12.472  12.124  12.124
  331    HA   ILE  45           HA       ILE  45 -10.213  10.309  10.309
  332    HB   ILE  45           HB       ILE  45  -9.071  12.345  12.345
  333   1HG1  ILE  45          HG12      ILE  45 -11.901  13.443  13.443
  334   2HG1  ILE  45          HG11      ILE  45 -10.739  13.362  13.362
  335   1HG2  ILE  45          HG23      ILE  45 -10.664  12.356  12.356
  336   2HG2  ILE  45          HG22      ILE  45  -9.728  13.785  13.785
  337   3HG2  ILE  45          HG21      ILE  45  -8.919  12.235  12.235
  338   1HD1  ILE  45          HD13      ILE  45  -9.190  14.859  14.859
  339   2HD1  ILE  45          HD12      ILE  45 -10.203  15.093  15.093
  340   3HD1  ILE  45          HD11      ILE  45 -10.766  15.632  15.632
  341    H    SER  46           HN       SER  46 -12.039  12.007  12.007
  342    HA   SER  46           HA       SER  46 -11.805   9.758   9.758
  343   1HB   SER  46           HB2      SER  46  -9.454  11.274  11.274
  344   2HB   SER  46           HB1      SER  46 -10.121  11.841  11.841
  345    HG   SER  46           HG       SER  46  -9.467  10.054  10.054
  346    H    TYR  47           HN       TYR  47 -13.664  12.175  12.175
  347    HA   TYR  47           HA       TYR  47 -14.016  13.626  13.626
  348   1HB   TYR  47           HB2      TYR  47 -15.865  14.684  14.684
  349   2HB   TYR  47           HB1      TYR  47 -14.503  14.511  14.511
  350    HD1  TYR  47           HD1      TYR  47 -17.762  13.020  13.020
  351    HD2  TYR  47           HD2      TYR  47 -14.578  13.179  13.179
  352    HE1  TYR  47           HE1      TYR  47 -19.133  11.712  11.712
  353    HE2  TYR  47           HE2      TYR  47 -15.935  11.887  11.887
  354    HH   TYR  47           HH       TYR  47 -18.881  11.599  11.599
  355    H    GLY  48           HN       GLY  48 -15.447  10.767  10.767
  356   1HA   GLY  48           HA2      GLY  48 -16.397   9.198   9.198
  357   2HA   GLY  48           HA1      GLY  48 -17.546  10.539  10.539
  358    H    ARG  49           HN       ARG  49 -16.293   8.609   8.609
  359    HA   ARG  49           HA       ARG  49 -18.683   9.043   9.043
  360   1HB   ARG  49           HB2      ARG  49 -16.525   8.502   8.502
  361   2HB   ARG  49           HB1      ARG  49 -16.501   7.002   7.002
  362   1HG   ARG  49           HG2      ARG  49 -18.661   6.402   6.402
  363   2HG   ARG  49           HG1      ARG  49 -18.366   7.867   7.867
  364   1HD   ARG  49           HD2      ARG  49 -16.574   5.430   5.430
  365   2HD   ARG  49           HD1      ARG  49 -17.466   5.987   5.987
  366    HE   ARG  49           HE       ARG  49 -16.088   8.167   8.167
  367   1HH1  ARG  49          HH11      ARG  49 -14.799   6.143   6.143
  368   2HH1  ARG  49          HH12      ARG  49 -13.214   6.036   6.036
  369   1HH2  ARG  49          HH21      ARG  49 -14.113   7.560   7.560
  370   2HH2  ARG  49          HH22      ARG  49 -12.826   6.843   6.843
  371    H    LYS  50           HN       LYS  50 -20.593   8.105   8.105
  372    HA   LYS  50           HA       LYS  50 -21.266   6.313   6.313
  373   1HB   LYS  50           HB2      LYS  50 -23.412   6.086   6.086
  374   2HB   LYS  50           HB1      LYS  50 -22.845   7.652   7.652
  375   1HG   LYS  50           HG2      LYS  50 -21.760   6.976   6.976
  376   2HG   LYS  50           HG1      LYS  50 -23.493   6.952   6.952
  377   1HD   LYS  50           HD2      LYS  50 -21.622   9.261   9.261
  378   2HD   LYS  50           HD1      LYS  50 -23.040   9.168   9.168
  379   1HE   LYS  50           HE2      LYS  50 -24.394   9.007   9.007
  380   2HE   LYS  50           HE1      LYS  50 -22.822   9.451   9.451
  381   1HZ   LYS  50           HZ1      LYS  50 -24.021  10.986  10.986
  382   2HZ   LYS  50           HZ3      LYS  50 -24.203  11.406  11.406
  383   3HZ   LYS  50           HZ2      LYS  50 -22.656  11.381  11.381
  384    H    LYS  51           HN       LYS  51 -20.494   5.597   5.597
  385    HA   LYS  51           HA       LYS  51 -19.567   2.954   2.954
  386   1HB   LYS  51           HB2      LYS  51 -21.667   1.789   1.789
  387   2HB   LYS  51           HB1      LYS  51 -21.735   2.240   2.240
  388   1HG   LYS  51           HG2      LYS  51 -23.022   4.255   4.255
  389   2HG   LYS  51           HG1      LYS  51 -22.755   4.008   4.008
  390   1HD   LYS  51           HD2      LYS  51 -23.852   1.689   1.689
  391   2HD   LYS  51           HD1      LYS  51 -24.455   2.500   2.500
  392   1HE   LYS  51           HE2      LYS  51 -25.052   4.398   4.398
  393   2HE   LYS  51           HE1      LYS  51 -25.094   3.033   3.033
  394   1HZ   LYS  51           HZ3      LYS  51 -26.551   1.850   1.850
  395   2HZ   LYS  51           HZ2      LYS  51 -26.555   3.214   3.214
  396   3HZ   LYS  51           HZ1      LYS  51 -27.283   3.291   3.291
  397    H    ARG  52           HN       ARG  52 -21.649   2.678   2.678
  398    HA   ARG  52           HA       ARG  52 -19.416   3.049   3.049
  399   1HB   ARG  52           HB2      ARG  52 -22.174   1.878   1.878
  400   2HB   ARG  52           HB1      ARG  52 -21.381   2.220   2.220
  401   1HG   ARG  52           HG2      ARG  52 -20.518   0.134   0.134
  402   2HG   ARG  52           HG1      ARG  52 -19.327   0.961   0.961
  403   1HD   ARG  52           HD2      ARG  52 -20.234  -0.993  -0.993
  404   2HD   ARG  52           HD1      ARG  52 -20.750   0.490   0.490
  405    HE   ARG  52           HE       ARG  52 -22.696  -0.080  -0.080
  406   1HH1  ARG  52          HH11      ARG  52 -21.772  -2.832  -2.832
  407   2HH1  ARG  52          HH12      ARG  52 -23.055  -3.074  -3.074
  408   1HH2  ARG  52          HH21      ARG  52 -24.203   0.201   0.201
  409   2HH2  ARG  52          HH22      ARG  52 -24.435  -1.353  -1.353
  410    H    ARG  53           HN       ARG  53 -22.315   4.726   4.726
  411    HA   ARG  53           HA       ARG  53 -23.152   6.816   6.816
  412   1HB   ARG  53           HB2      ARG  53 -20.858   7.477   7.477
  413   2HB   ARG  53           HB1      ARG  53 -20.449   6.975   6.975
  414   1HG   ARG  53           HG2      ARG  53 -22.747   8.850   8.850
  415   2HG   ARG  53           HG1      ARG  53 -21.128   9.473   9.473
  416   1HD   ARG  53           HD2      ARG  53 -20.410   9.077   9.077
  417   2HD   ARG  53           HD1      ARG  53 -21.643   7.869   7.869
  418    HE   ARG  53           HE       ARG  53 -22.118  10.811  10.811
  419   1HH1  ARG  53          HH21      ARG  53 -24.588  10.387  10.387
  420   2HH1  ARG  53          HH22      ARG  53 -25.521   9.632   9.632
  421   1HH2  ARG  53          HH11      ARG  53 -22.756   8.608   8.608
  422   2HH2  ARG  53          HH12      ARG  53 -24.484   8.629   8.629
  423    H    GLN  54           HN       GLN  54 -22.661   4.220   4.220
  424    HA   GLN  54           HA       GLN  54 -23.374   5.367   5.367
  425   1HB   GLN  54           HB2      GLN  54 -24.172   3.048   3.048
  426   2HB   GLN  54           HB1      GLN  54 -22.551   3.075   3.075
  427   1HG   GLN  54           HG2      GLN  54 -23.927   2.743   2.743
  428   2HG   GLN  54           HG1      GLN  54 -25.216   2.242   2.242
  429   1HE2  GLN  54          HE22      GLN  54 -23.664  -0.919  -0.919
  430   2HE2  GLN  54          HE21      GLN  54 -24.886   0.133   0.133
  431    H    ARG  55           HN       ARG  55 -25.378   3.968   3.968
  432    HA   ARG  55           HA       ARG  55 -27.689   4.144   4.144
  433   1HB   ARG  55           HB2      ARG  55 -27.058   6.994   6.994
  434   2HB   ARG  55           HB1      ARG  55 -28.187   6.469   6.469
  435   1HG   ARG  55           HG2      ARG  55 -26.346   5.698   5.698
  436   2HG   ARG  55           HG1      ARG  55 -25.156   5.832   5.832
  437   1HD   ARG  55           HD2      ARG  55 -25.135   8.203   8.203
  438   2HD   ARG  55           HD1      ARG  55 -26.741   8.298   8.298
  439    HE   ARG  55           HE       ARG  55 -24.581   6.914   6.914
  440   1HH1  ARG  55          HH21      ARG  55 -26.166   7.153   7.153
  441   2HH1  ARG  55          HH22      ARG  55 -26.243   8.800   8.800
  442   1HH2  ARG  55          HH11      ARG  55 -24.923  10.092  10.092
  443   2HH2  ARG  55          HH12      ARG  55 -25.540  10.469  10.469
  444    H    ARG  56           HN       ARG  56 -26.980   3.480   3.480
  445    HA   ARG  56           HA       ARG  56 -29.572   3.713   3.713
  446   1HB   ARG  56           HB2      ARG  56 -29.028   5.296   5.296
  447   2HB   ARG  56           HB1      ARG  56 -28.565   6.063   6.063
  448   1HG   ARG  56           HG2      ARG  56 -26.242   4.826   4.826
  449   2HG   ARG  56           HG1      ARG  56 -26.856   4.921   4.921
  450   1HD   ARG  56           HD2      ARG  56 -27.138   7.371   7.371
  451   2HD   ARG  56           HD1      ARG  56 -25.467   6.900   6.900
  452    HE   ARG  56           HE       ARG  56 -27.089   6.589   6.589
  453   1HH1  ARG  56          HH11      ARG  56 -24.729   8.602   8.602
  454   2HH1  ARG  56          HH12      ARG  56 -25.314  10.040  10.040
  455   1HH2  ARG  56          HH21      ARG  56 -28.405   8.667   8.667
  456   2HH2  ARG  56          HH22      ARG  56 -27.402  10.075  10.075
  457    H    ARG  57           HN       ARG  57 -27.578   1.689   1.689
  458    HA   ARG  57           HA       ARG  57 -25.885   0.830   0.830
  459   1HB   ARG  57           HB2      ARG  57 -25.962  -0.083  -0.083
  460   2HB   ARG  57           HB1      ARG  57 -27.604  -0.693  -0.693
  461   1HG   ARG  57           HG2      ARG  57 -26.357  -2.616  -2.616
  462   2HG   ARG  57           HG1      ARG  57 -26.545  -2.012  -2.012
  463   1HD   ARG  57           HD2      ARG  57 -24.347  -1.108  -1.108
  464   2HD   ARG  57           HD1      ARG  57 -24.167  -1.235  -1.235
  465    HE   ARG  57           HE       ARG  57 -24.220  -3.536  -3.536
  466   1HH1  ARG  57          HH21      ARG  57 -25.297  -4.808  -4.808
  467   2HH1  ARG  57          HH22      ARG  57 -23.972  -5.127  -5.127
  468   1HH2  ARG  57          HH11      ARG  57 -21.852  -2.828  -2.828
  469   2HH2  ARG  57          HH12      ARG  57 -22.015  -4.002  -4.002
  470    HA   PRO  58           HA       PRO  58 -29.613  -1.551  -1.551
  471   1HB   PRO  58           HB2      PRO  58 -32.103  -0.447  -0.447
  472   2HB   PRO  58           HB1      PRO  58 -31.421  -1.731  -1.731
  473   1HG   PRO  58           HG2      PRO  58 -31.488   1.226   1.226
  474   2HG   PRO  58           HG1      PRO  58 -31.858  -0.090  -0.090
  475   1HD   PRO  58           HD2      PRO  58 -29.599   1.232   1.232
  476   2HD   PRO  58           HD1      PRO  58 -29.583  -0.490  -0.490
  477    H    SER  59           HN       SER  59 -29.350   1.938   1.938
  478    HA   SER  59           HA       SER  59 -30.638   2.506   2.506
  479   1HB   SER  59           HB2      SER  59 -28.883   4.162   4.162
  480   2HB   SER  59           HB1      SER  59 -29.793   4.789   4.789
  481    HG   SER  59           HG       SER  59 -31.525   4.750   4.750
  482    H    GLN  60           HN       GLN  60 -29.621   2.137   2.137
  483    HA   GLN  60           HA       GLN  60 -26.732   2.705   2.705
  484   1HB   GLN  60           HB2      GLN  60 -28.051   0.016   0.016
  485   2HB   GLN  60           HB1      GLN  60 -26.823   0.398   0.398
  486   1HG   GLN  60           HG2      GLN  60 -25.189   0.876   0.876
  487   2HG   GLN  60           HG1      GLN  60 -26.400   1.031   1.031
  488   1HE2  GLN  60          HE22      GLN  60 -26.323  -2.464  -2.464
  489   2HE2  GLN  60          HE21      GLN  60 -26.803  -0.882  -0.882
  490    H    GLY  61           HN       GLY  61 -29.259   3.881   3.881
  491   1HA   GLY  61           HA2      GLY  61 -29.441   3.098   3.098
  492   2HA   GLY  61           HA1      GLY  61 -30.310   4.469   4.469
  493    H    GLY  62           HN       GLY  62 -27.288   3.357   3.357
  494   1HA   GLY  62           HA2      GLY  62 -25.534   4.544   4.544
  495   2HA   GLY  62           HA1      GLY  62 -26.633   5.911   5.911
  496    H    GLN  63           HN       GLN  63 -25.914   4.350   4.350
  497    HA   GLN  63           HA       GLN  63 -25.035   6.875   6.875
  498   1HB   GLN  63           HB2      GLN  63 -25.258   4.038   4.038
  499   2HB   GLN  63           HB1      GLN  63 -24.792   5.355   5.355
  500   1HG   GLN  63           HG2      GLN  63 -27.287   5.804   5.804
  501   2HG   GLN  63           HG1      GLN  63 -27.224   4.428   4.428
  502   1HE2  GLN  63          HE22      GLN  63 -26.208   7.696   7.696
  503   2HE2  GLN  63          HE21      GLN  63 -25.247   7.170   7.170
  504    H    THR  64           HN       THR  64 -23.466   3.812   3.812
  505    HA   THR  64           HA       THR  64 -21.172   3.198   3.198
  506    HB   THR  64           HB       THR  64 -21.093   6.169   6.169
  507    HG1  THR  64           HG1      THR  64 -20.790   3.979   3.979
  508   1HG2  THR  64          HG23      THR  64 -18.933   4.242   4.242
  509   2HG2  THR  64          HG22      THR  64 -18.855   5.046   5.046
  510   3HG2  THR  64          HG21      THR  64 -18.861   6.001   6.001
  511    H    HIS  65           HN       HIS  65 -22.180   3.277   3.277
  512    HA   HIS  65           HA       HIS  65 -21.142   5.145   5.145
  513   1HB   HIS  65           HB2      HIS  65 -22.552   2.614   2.614
  514   2HB   HIS  65           HB1      HIS  65 -21.551   2.733   2.733
  515    HD1  HIS  65           HD1      HIS  65 -24.819   3.009   3.009
  516    HD2  HIS  65           HD2      HIS  65 -22.481   5.800   5.800
  517    HE1  HIS  65           HE1      HIS  65 -26.417   4.699   4.699
  518    H    GLN  66           HN       GLN  66 -19.646   4.248   4.248
  519    HA   GLN  66           HA       GLN  66 -17.301   2.852   2.852
  520   1HB   GLN  66           HB2      GLN  66 -17.548   5.196   5.196
  521   2HB   GLN  66           HB1      GLN  66 -15.976   4.431   4.431
  522   1HG   GLN  66           HG2      GLN  66 -15.779   5.659   5.659
  523   2HG   GLN  66           HG1      GLN  66 -17.196   4.864   4.864
  524   1HE2  GLN  66          HE22      GLN  66 -19.428   7.589   7.589
  525   2HE2  GLN  66          HE21      GLN  66 -19.379   5.918   5.918
  526    H    ASP  67           HN       ASP  67 -18.641   3.838   3.838
  527    HA   ASP  67           HA       ASP  67 -17.293   1.662   1.662
  528   1HB   ASP  67           HB2      ASP  67 -17.583   3.767   3.767
  529   2HB   ASP  67           HB1      ASP  67 -19.321   3.782   3.782
  530    HA   PRO  68           HA       PRO  68 -21.759  -0.007  -0.007
  531   1HB   PRO  68           HB2      PRO  68 -23.675   0.901   0.901
  532   2HB   PRO  68           HB1      PRO  68 -23.339   1.626   1.626
  533   1HG   PRO  68           HG2      PRO  68 -22.598   2.506   2.506
  534   2HG   PRO  68           HG1      PRO  68 -22.925   3.502   3.502
  535   1HD   PRO  68           HD2      PRO  68 -20.433   2.972   2.972
  536   2HD   PRO  68           HD1      PRO  68 -20.806   3.539   3.539
  537    H    ILE  69           HN       ILE  69 -20.907   0.690   0.690
  538    HA   ILE  69           HA       ILE  69 -21.394  -2.236  -2.236
  539    HB   ILE  69           HB       ILE  69 -22.789  -1.802  -1.802
  540   1HG1  ILE  69          HG12      ILE  69 -21.398  -0.824  -0.824
  541   2HG1  ILE  69          HG11      ILE  69 -22.649   0.396   0.396
  542   1HG2  ILE  69          HG22      ILE  69 -23.691  -0.509  -0.509
  543   2HG2  ILE  69          HG21      ILE  69 -22.904   0.937   0.937
  544   3HG2  ILE  69          HG23      ILE  69 -24.185   0.151   0.151
  545   1HD1  ILE  69          HD13      ILE  69 -20.951   1.240   1.240
  546   2HD1  ILE  69          HD12      ILE  69 -19.795   0.581   0.581
  547   3HD1  ILE  69          HD11      ILE  69 -20.952   1.803   1.803
  548    HA   PRO  70           HA       PRO  70 -17.107  -0.701  -0.701
  549   1HB   PRO  70           HB2      PRO  70 -15.705  -2.182  -2.182
  550   2HB   PRO  70           HB1      PRO  70 -16.016  -0.431  -0.431
  551   1HG   PRO  70           HG2      PRO  70 -17.372  -2.912  -2.912
  552   2HG   PRO  70           HG1      PRO  70 -17.033  -1.397  -1.397
  553   1HD   PRO  70           HD2      PRO  70 -19.482  -1.985  -1.985
  554   2HD   PRO  70           HD1      PRO  70 -18.858  -0.306  -0.306
  555    H    LYS  71           HN       LYS  71 -18.788  -3.613  -3.613
  556    HA   LYS  71           HA       LYS  71 -16.949  -5.613  -5.613
  557   1HB   LYS  71           HB2      LYS  71 -19.150  -6.826  -6.826
  558   2HB   LYS  71           HB1      LYS  71 -18.940  -6.267  -6.267
  559   1HG   LYS  71           HG2      LYS  71 -20.210  -4.134  -4.134
  560   2HG   LYS  71           HG1      LYS  71 -20.952  -5.644  -5.644
  561   1HD   LYS  71           HD2      LYS  71 -22.123  -4.668  -4.668
  562   2HD   LYS  71           HD1      LYS  71 -21.458  -6.254  -6.254
  563   1HE   LYS  71           HE2      LYS  71 -19.571  -5.169  -5.169
  564   2HE   LYS  71           HE1      LYS  71 -20.151  -3.579  -3.579
  565   1HZ   LYS  71           HZ3      LYS  71 -21.745  -5.583  -5.583
  566   2HZ   LYS  71           HZ2      LYS  71 -20.968  -4.235  -4.235
  567   3HZ   LYS  71           HZ1      LYS  71 -22.244  -4.015  -4.015
  568    H    GLN  72           HN       GLN  72 -19.018  -3.423  -3.423
  569    HA   GLN  72           HA       GLN  72 -17.504  -4.075  -4.075
  570   1HB   GLN  72           HB2      GLN  72 -20.005  -4.652  -4.652
  571   2HB   GLN  72           HB1      GLN  72 -18.859  -5.872  -5.872
  572   1HG   GLN  72           HG2      GLN  72 -20.794  -6.430  -6.430
  573   2HG   GLN  72           HG1      GLN  72 -20.099  -5.469  -5.469
  574   1HE2  GLN  72          HE22      GLN  72 -22.583  -2.866  -2.866
  575   2HE2  GLN  72          HE21      GLN  72 -21.048  -3.197  -3.197
  576    HA   PRO  73           HA       PRO  73 -18.893  -0.163  -0.163
  577   1HB   PRO  73           HB2      PRO  73 -20.140  -0.593  -0.593
  578   2HB   PRO  73           HB1      PRO  73 -18.361  -0.669  -0.669
  579   1HG   PRO  73           HG2      PRO  73 -20.303  -2.975  -2.975
  580   2HG   PRO  73           HG1      PRO  73 -18.769  -2.805  -2.805
  581   1HD   PRO  73           HD2      PRO  73 -18.889  -4.196  -4.196
  582   2HD   PRO  73           HD1      PRO  73 -17.517  -3.106  -3.106
  583    H    SER  74           HN       SER  74 -21.233  -2.743  -2.743
  584    HA   SER  74           HA       SER  74 -23.345  -2.825  -2.825
  585   1HB   SER  74           HB2      SER  74 -24.017  -1.127  -1.127
  586   2HB   SER  74           HB1      SER  74 -22.218  -0.948  -0.948
  587    HG   SER  74           HG       SER  74 -23.951   0.894   0.894
  588    H    SER  75           HN       SER  75 -23.666   0.419   0.419
  589    HA   SER  75           HA       SER  75 -26.061  -0.607  -0.607
  590   1HB   SER  75           HB2      SER  75 -26.766   1.661   1.661
  591   2HB   SER  75           HB1      SER  75 -25.675   1.300   1.300
  592    HG   SER  75           HG       SER  75 -24.511   2.881   2.881
  593    H    GLN  76           HN       GLN  76 -22.808  -0.161  -0.161
  594    HA   GLN  76           HA       GLN  76 -23.137   0.810   0.810
  595   1HB   GLN  76           HB2      GLN  76 -20.948  -0.368  -0.368
  596   2HB   GLN  76           HB1      GLN  76 -20.658   0.083   0.083
  597   1HG   GLN  76           HG2      GLN  76 -20.099   2.120   2.120
  598   2HG   GLN  76           HG1      GLN  76 -21.850   2.359   2.359
  599   1HE2  GLN  76          HE22      GLN  76 -22.150   2.206   2.206
  600   2HE2  GLN  76          HE21      GLN  76 -23.017   2.002   2.002
  601    HA   PRO  77           HA       PRO  77 -22.446  -3.872  -3.872
  602   1HB   PRO  77           HB2      PRO  77 -23.128  -5.650  -5.650
  603   2HB   PRO  77           HB1      PRO  77 -21.489  -4.981  -4.981
  604   1HG   PRO  77           HG2      PRO  77 -23.644  -4.254  -4.254
  605   2HG   PRO  77           HG1      PRO  77 -21.892  -4.313  -4.313
  606   1HD   PRO  77           HD2      PRO  77 -23.458  -2.126  -2.126
  607   2HD   PRO  77           HD1      PRO  77 -21.690  -2.100  -2.100
  608    H    ARG  78           HN       ARG  78 -25.008  -2.147  -2.147
  609    HA   ARG  78           HA       ARG  78 -27.041  -4.133  -4.133
  610   1HB   ARG  78           HB2      ARG  78 -27.372  -1.800  -1.800
  611   2HB   ARG  78           HB1      ARG  78 -28.554  -3.118  -3.118
  612   1HG   ARG  78           HG2      ARG  78 -26.755  -4.674  -4.674
  613   2HG   ARG  78           HG1      ARG  78 -25.828  -3.215  -3.215
  614   1HD   ARG  78           HD2      ARG  78 -27.475  -2.383  -2.383
  615   2HD   ARG  78           HD1      ARG  78 -28.644  -3.634  -3.634
  616    HE   ARG  78           HE       ARG  78 -26.310  -5.006  -5.006
  617   1HH1  ARG  78          HH21      ARG  78 -25.788  -3.139  -3.139
  618   2HH1  ARG  78          HH22      ARG  78 -26.860  -3.605  -3.605
  619   1HH2  ARG  78          HH11      ARG  78 -28.923  -5.493  -5.493
  620   2HH2  ARG  78          HH12      ARG  78 -28.639  -4.942  -4.942
  621    H    GLY  79           HN       GLY  79 -26.250  -0.658  -0.658
  622   1HA   GLY  79           HA2      GLY  79 -26.091   0.579   0.579
  623   2HA   GLY  79           HA1      GLY  79 -27.465  -0.117  -0.117
  624    H    ASP  80           HN       ASP  80 -26.678   1.234   1.234
  625    HA   ASP  80           HA       ASP  80 -29.031   2.991   2.991
  626   1HB   ASP  80           HB2      ASP  80 -26.635   2.335   2.335
  627   2HB   ASP  80           HB1      ASP  80 -27.580   3.710   3.710
  628    HA   PRO  81           HA       PRO  81 -27.139   6.699   6.699
  629   1HB   PRO  81           HB2      PRO  81 -27.327   8.576   8.576
  630   2HB   PRO  81           HB1      PRO  81 -28.707   8.031   8.031
  631   1HG   PRO  81           HG2      PRO  81 -27.825   7.132   7.132
  632   2HG   PRO  81           HG1      PRO  81 -29.448   7.526   7.526
  633   1HD   PRO  81           HD2      PRO  81 -28.707   5.041   5.041
  634   2HD   PRO  81           HD1      PRO  81 -29.705   5.512   5.512
  635    H    THR  82           HN       THR  82 -25.040   5.350   5.350
  636    HA   THR  82           HA       THR  82 -23.102   6.723   6.723
  637    HB   THR  82           HB       THR  82 -21.979   4.517   4.517
  638    HG1  THR  82           HG1      THR  82 -22.559   3.359   3.359
  639   1HG2  THR  82          HG22      THR  82 -24.278   5.409   5.409
  640   2HG2  THR  82          HG21      THR  82 -24.679   3.753   3.753
  641   3HG2  THR  82          HG23      THR  82 -23.258   4.074   4.074
  642    H    GLY  83           HN       GLY  83 -20.992   4.973   4.973
  643   1HA   GLY  83           HA2      GLY  83 -20.684   6.484   6.484
  644   2HA   GLY  83           HA1      GLY  83 -19.342   5.873   5.873
  645    HA   PRO  84           HA       PRO  84 -19.795   2.014   2.014
  646   1HB   PRO  84           HB2      PRO  84 -18.840   0.240   0.240
  647   2HB   PRO  84           HB1      PRO  84 -17.804   1.441   1.441
  648   1HG   PRO  84           HG2      PRO  84 -19.059   1.417   1.417
  649   2HG   PRO  84           HG1      PRO  84 -17.431   2.085   2.085
  650   1HD   PRO  84           HD2      PRO  84 -19.979   3.448   3.448
  651   2HD   PRO  84           HD1      PRO  84 -18.415   4.070   4.070
  652    H    LYS  85           HN       LYS  85 -22.217   2.802   2.802
  653    HA   LYS  85           HA       LYS  85 -23.532   1.040   1.040
  654   1HB   LYS  85           HB2      LYS  85 -25.605   2.236   2.236
  655   2HB   LYS  85           HB1      LYS  85 -24.587   3.039   3.039
  656   1HG   LYS  85           HG2      LYS  85 -23.491   4.263   4.263
  657   2HG   LYS  85           HG1      LYS  85 -23.844   3.137   3.137
  658   1HD   LYS  85           HD2      LYS  85 -26.386   3.914   3.914
  659   2HD   LYS  85           HD1      LYS  85 -25.444   5.396   5.396
  660   1HE   LYS  85           HE2      LYS  85 -24.626   5.098   5.098
  661   2HE   LYS  85           HE1      LYS  85 -25.613   3.627   3.627
  662   1HZ   LYS  85           HZ3      LYS  85 -26.687   6.296   6.296
  663   2HZ   LYS  85           HZ2      LYS  85 -26.758   5.705   5.705
  664   3HZ   LYS  85           HZ1      LYS  85 -27.585   4.898   4.898
  665    H    GLU  86           HN       GLU  86 -22.338  -0.632  -0.632
  666    HA   GLU  86           HA       GLU  86 -23.858  -1.539  -1.539
  667   1HB   GLU  86           HB2      GLU  86 -22.021  -3.381  -3.381
  668   2HB   GLU  86           HB1      GLU  86 -21.500  -1.686  -1.686
  669   1HG   GLU  86           HG2      GLU  86 -20.494  -1.467  -1.467
  670   2HG   GLU  86           HG1      GLU  86 -21.668  -2.434  -2.434

  Start of MODEL    7
    1   1H    LEU   1           HT2      LEU   1 -24.173  21.194  21.194
    2   2H    LEU   1           HT1      LEU   1 -23.097  21.795  21.795
    3   3H    LEU   1           HT3      LEU   1 -24.649  21.290  21.290
    4    HA   LEU   1           HA       LEU   1 -23.130  19.576  19.576
    5   1HB   LEU   1           HB2      LEU   1 -21.528  18.709  18.709
    6   2HB   LEU   1           HB1      LEU   1 -21.399  20.472  20.472
    7    HG   LEU   1           HG       LEU   1 -23.360  19.848  19.848
    8   1HD1  LEU   1          HD13      LEU   1 -22.196  17.514  17.514
    9   2HD1  LEU   1          HD12      LEU   1 -20.914  18.291  18.291
   10   3HD1  LEU   1          HD11      LEU   1 -22.545  18.195  18.195
   11   1HD2  LEU   1          HD21      LEU   1 -21.232  21.516  21.516
   12   2HD2  LEU   1          HD23      LEU   1 -22.122  21.237  21.237
   13   3HD2  LEU   1          HD22      LEU   1 -20.624  20.360  20.360
   14    H    ASP   2           HN       ASP   2 -23.150  17.176  17.176
   15    HA   ASP   2           HA       ASP   2 -24.570  15.360  15.360
   16   1HB   ASP   2           HB2      ASP   2 -23.963  16.716  16.716
   17   2HB   ASP   2           HB1      ASP   2 -25.708  17.053  17.053
   18    HA   PRO   3           HA       PRO   3 -28.442  17.421  17.421
   19   1HB   PRO   3           HB2      PRO   3 -28.098  17.416  17.416
   20   2HB   PRO   3           HB1      PRO   3 -27.497  18.687  18.687
   21   1HG   PRO   3           HG2      PRO   3 -25.974  16.664  16.664
   22   2HG   PRO   3           HG1      PRO   3 -25.436  18.180  18.180
   23   1HD   PRO   3           HD2      PRO   3 -25.223  15.507  15.507
   24   2HD   PRO   3           HD1      PRO   3 -24.506  17.009  17.009
   25    H    VAL   4           HN       VAL   4 -27.820  15.536  15.536
   26    HA   VAL   4           HA       VAL   4 -29.896  13.583  13.583
   27    HB   VAL   4           HB       VAL   4 -27.816  14.088  14.088
   28   1HG1  VAL   4          HG11      VAL   4 -29.615  11.675  11.675
   29   2HG1  VAL   4          HG13      VAL   4 -29.220  12.313  12.313
   30   3HG1  VAL   4          HG12      VAL   4 -27.934  11.746  11.746
   31   1HG2  VAL   4          HG22      VAL   4 -30.294  15.156  15.156
   32   2HG2  VAL   4          HG21      VAL   4 -29.403  15.153  15.153
   33   3HG2  VAL   4          HG23      VAL   4 -30.608  13.906  13.906
   34    H    ASP   5           HN       ASP   5 -26.450  13.255  13.255
   35    HA   ASP   5           HA       ASP   5 -25.921  11.460  11.460
   36   1HB   ASP   5           HB2      ASP   5 -26.747  10.359  10.359
   37   2HB   ASP   5           HB1      ASP   5 -24.983  10.147  10.147
   38    HA   PRO   6           HA       PRO   6 -22.035  13.107  13.107
   39   1HB   PRO   6           HB2      PRO   6 -21.919  13.340  13.340
   40   2HB   PRO   6           HB1      PRO   6 -21.643  11.784  11.784
   41   1HG   PRO   6           HG2      PRO   6 -23.840  12.641  12.641
   42   2HG   PRO   6           HG1      PRO   6 -23.489  11.012  11.012
   43   1HD   PRO   6           HD2      PRO   6 -25.276  13.092  13.092
   44   2HD   PRO   6           HD1      PRO   6 -25.357  11.334  11.334
   45    H    ASN   7           HN       ASN   7 -21.374  15.136  15.136
   46    HA   ASN   7           HA       ASN   7 -23.025  17.347  17.347
   47   1HB   ASN   7           HB2      ASN   7 -20.633  17.054  17.054
   48   2HB   ASN   7           HB1      ASN   7 -21.403  18.626  18.626
   49   1HD2  ASN   7          HD22      ASN   7 -19.088  16.953  16.953
   50   2HD2  ASN   7          HD21      ASN   7 -19.416  16.098  16.098
   51    H    ILE   8           HN       ILE   8 -22.253  16.165  16.165
   52    HA   ILE   8           HA       ILE   8 -24.978  17.075  17.075
   53    HB   ILE   8           HB       ILE   8 -24.055  18.008  18.008
   54   1HG1  ILE   8          HG12      ILE   8 -22.322  16.157  16.157
   55   2HG1  ILE   8          HG11      ILE   8 -21.806  17.783  17.783
   56   1HG2  ILE   8          HG23      ILE   8 -22.865  18.793  18.793
   57   2HG2  ILE   8          HG22      ILE   8 -21.987  19.365  19.365
   58   3HG2  ILE   8          HG21      ILE   8 -23.690  19.772  19.772
   59   1HD1  ILE   8          HD13      ILE   8 -20.983  17.799  17.799
   60   2HD1  ILE   8          HD12      ILE   8 -20.975  16.052  16.052
   61   3HD1  ILE   8          HD11      ILE   8 -19.999  17.082  17.082
   62    H    GLU   9           HN       GLU   9 -23.337  14.388  14.388
   63    HA   GLU   9           HA       GLU   9 -23.379  12.182  12.182
   64   1HB   GLU   9           HB2      GLU   9 -25.815  13.436  13.436
   65   2HB   GLU   9           HB1      GLU   9 -25.408  11.728  11.728
   66   1HG   GLU   9           HG2      GLU   9 -25.500  11.506  11.506
   67   2HG   GLU   9           HG1      GLU   9 -25.823  13.231  13.231
   68    HA   PRO  10           HA       PRO  10 -21.532  13.602  13.602
   69   1HB   PRO  10           HB2      PRO  10 -18.953  13.603  13.603
   70   2HB   PRO  10           HB1      PRO  10 -20.006  15.100  15.100
   71   1HG   PRO  10           HG2      PRO  10 -19.066  13.182  13.182
   72   2HG   PRO  10           HG1      PRO  10 -19.304  14.950  14.950
   73   1HD   PRO  10           HD2      PRO  10 -20.911  12.857  12.857
   74   2HD   PRO  10           HD1      PRO  10 -21.505  14.500  14.500
   75    H    TRP  11           HN       TRP  11 -22.204  10.950  10.950
   76    HA   TRP  11           HA       TRP  11 -19.711   9.429   9.429
   77   1HB   TRP  11           HB2      TRP  11 -22.135   8.633   8.633
   78   2HB   TRP  11           HB1      TRP  11 -20.623   7.680   7.680
   79    HD1  TRP  11           HD1      TRP  11 -22.398  10.007  10.007
   80    HE1  TRP  11           HE1      TRP  11 -20.828  11.265  11.265
   81    HE3  TRP  11           HE3      TRP  11 -17.900   8.960   8.960
   82    HZ2  TRP  11           HZ2      TRP  11 -18.032  11.765  11.765
   83    HZ3  TRP  11           HZ3      TRP  11 -15.809   9.843   9.843
   84    HH2  TRP  11           HH2      TRP  11 -15.871  11.240  11.240
   85    H    ASN  12           HN       ASN  12 -21.763  10.598  10.598
   86    HA   ASN  12           HA       ASN  12 -22.920   8.122   8.122
   87   1HB   ASN  12           HB2      ASN  12 -24.326   9.926   9.926
   88   2HB   ASN  12           HB1      ASN  12 -24.679   9.512   9.512
   89   1HD2  ASN  12          HD22      ASN  12 -23.483  12.553  12.553
   90   2HD2  ASN  12          HD21      ASN  12 -23.692  10.900  10.900
   91    H    HIS  13           HN       HIS  13 -20.941   7.588   7.588
   92    HA   HIS  13           HA       HIS  13 -19.743   9.555   9.555
   93   1HB   HIS  13           HB2      HIS  13 -19.002   6.902   6.902
   94   2HB   HIS  13           HB1      HIS  13 -17.926   7.737   7.737
   95    HD1  HIS  13           HD1      HIS  13 -16.136   7.921   7.921
   96    HD2  HIS  13           HD2      HIS  13 -19.699   9.952   9.952
   97    HE1  HIS  13           HE1      HIS  13 -15.692   9.443   9.443
   98    HA   PRO  14           HA       PRO  14 -21.545   7.363   7.363
   99   1HB   PRO  14           HB2      PRO  14 -19.972   8.759   8.759
  100   2HB   PRO  14           HB1      PRO  14 -21.489   9.393   9.393
  101   1HG   PRO  14           HG2      PRO  14 -18.619   9.767   9.767
  102   2HG   PRO  14           HG1      PRO  14 -19.903  10.989  10.989
  103   1HD   PRO  14           HD2      PRO  14 -19.040  10.055  10.055
  104   2HD   PRO  14           HD1      PRO  14 -20.722  10.512  10.512
  105    H    GLY  15           HN       GLY  15 -18.267   7.541   7.541
  106   1HA   GLY  15           HA2      GLY  15 -16.571   6.116   6.116
  107   2HA   GLY  15           HA1      GLY  15 -17.535   4.931   4.931
  108    H    SER  16           HN       SER  16 -17.173   8.334   8.334
  109    HA   SER  16           HA       SER  16 -15.005   7.938   7.938
  110   1HB   SER  16           HB2      SER  16 -17.118   7.194   7.194
  111   2HB   SER  16           HB1      SER  16 -17.838   8.726   8.726
  112    HG   SER  16           HG       SER  16 -16.051   8.034   8.034
  113    H    GLN  17           HN       GLN  17 -15.980   9.698   9.698
  114    HA   GLN  17           HA       GLN  17 -14.919  12.242  12.242
  115   1HB   GLN  17           HB2      GLN  17 -17.727  11.741  11.741
  116   2HB   GLN  17           HB1      GLN  17 -16.893  13.313  13.313
  117   1HG   GLN  17           HG2      GLN  17 -17.268  13.924  13.924
  118   2HG   GLN  17           HG1      GLN  17 -16.591  12.466  12.466
  119   1HE2  GLN  17          HE22      GLN  17 -19.818  10.975  10.975
  120   2HE2  GLN  17          HE21      GLN  17 -18.136  10.701  10.701
  121    HA   PRO  18           HA       PRO  18 -14.750  12.591  12.591
  122   1HB   PRO  18           HB2      PRO  18 -16.025  10.694  10.694
  123   2HB   PRO  18           HB1      PRO  18 -16.795  12.219  12.219
  124   1HG   PRO  18           HG2      PRO  18 -16.942   9.509   9.509
  125   2HG   PRO  18           HG1      PRO  18 -18.271  10.640  10.640
  126   1HD   PRO  18           HD2      PRO  18 -17.249  10.328  10.328
  127   2HD   PRO  18           HD1      PRO  18 -17.786  11.963  11.963
  128    H    LYS  19           HN       LYS  19 -14.710   9.548   9.548
  129    HA   LYS  19           HA       LYS  19 -12.566   8.430   8.430
  130   1HB   LYS  19           HB2      LYS  19 -13.840   7.292   7.292
  131   2HB   LYS  19           HB1      LYS  19 -13.026   6.386   6.386
  132   1HG   LYS  19           HG2      LYS  19 -15.030   7.605   7.605
  133   2HG   LYS  19           HG1      LYS  19 -15.727   7.513   7.513
  134   1HD   LYS  19           HD2      LYS  19 -15.783   5.139   5.139
  135   2HD   LYS  19           HD1      LYS  19 -14.341   5.091   5.091
  136   1HE   LYS  19           HE2      LYS  19 -15.660   5.919   5.919
  137   2HE   LYS  19           HE1      LYS  19 -17.118   5.889   5.889
  138   1HZ   LYS  19           HZ1      LYS  19 -16.700   3.549   3.549
  139   2HZ   LYS  19           HZ3      LYS  19 -15.306   3.581   3.581
  140   3HZ   LYS  19           HZ2      LYS  19 -16.834   3.804   3.804
  141    H    THR  20           HN       THR  20 -12.985  10.200  10.200
  142    HA   THR  20           HA       THR  20 -10.093   9.966   9.966
  143    HB   THR  20           HB       THR  20 -11.082   8.072   8.072
  144    HG1  THR  20           HG1      THR  20 -10.400  10.127  10.127
  145   1HG2  THR  20          HG22      THR  20 -13.352   9.200   9.200
  146   2HG2  THR  20          HG21      THR  20 -12.669  10.050  10.050
  147   3HG2  THR  20          HG23      THR  20 -12.785   8.290   8.290
  148    H    ALA  21           HN       ALA  21 -13.154  11.437  11.437
  149    HA   ALA  21           HA       ALA  21 -11.589  13.696  13.696
  150   1HB   ALA  21           HB2      ALA  21 -13.706  12.303  12.303
  151   2HB   ALA  21           HB1      ALA  21 -14.557  13.614  13.614
  152   3HB   ALA  21           HB3      ALA  21 -13.397  13.976  13.976
  153    H    SER  22           HN       SER  22 -11.969  13.283  13.283
  154    HA   SER  22           HA       SER  22 -12.226  15.927  15.927
  155   1HB   SER  22           HB2      SER  22 -14.674  15.594  15.594
  156   2HB   SER  22           HB1      SER  22 -14.715  14.316  14.316
  157    HG   SER  22           HG       SER  22 -15.546  16.181  16.181
  158    H    ASN  23           HN       ASN  23 -10.579  13.851  13.851
  159    HA   ASN  23           HA       ASN  23 -11.406  12.226  12.226
  160   1HB   ASN  23           HB2      ASN  23  -9.310  12.326  12.326
  161   2HB   ASN  23           HB1      ASN  23  -8.512  12.857  12.857
  162   1HD2  ASN  23          HD22      ASN  23 -10.424   9.184   9.184
  163   2HD2  ASN  23          HD21      ASN  23 -11.173  10.535  10.535
  164    H    ARG  24           HN       ARG  24 -12.023  13.107  13.107
  165    HA   ARG  24           HA       ARG  24 -11.536  15.650  15.650
  166   1HB   ARG  24           HB2      ARG  24 -12.380  12.959  12.959
  167   2HB   ARG  24           HB1      ARG  24 -11.887  14.068  14.068
  168   1HG   ARG  24           HG2      ARG  24 -14.189  14.497  14.497
  169   2HG   ARG  24           HG1      ARG  24 -13.456  15.771  15.771
  170   1HD   ARG  24           HD2      ARG  24 -15.160  14.848  14.848
  171   2HD   ARG  24           HD1      ARG  24 -13.586  14.153  14.153
  172    HE   ARG  24           HE       ARG  24 -14.265  12.045  12.045
  173   1HH1  ARG  24          HH21      ARG  24 -14.786  11.750  11.750
  174   2HH1  ARG  24          HH22      ARG  24 -16.491  11.901  11.901
  175   1HH2  ARG  24          HH11      ARG  24 -17.103  13.454  13.454
  176   2HH2  ARG  24          HH12      ARG  24 -17.806  12.868  12.868
  177    H    ALA  25           HN       ALA  25  -9.990  12.643  12.643
  178    HA   ALA  25           HA       ALA  25  -7.702  12.223  12.223
  179   1HB   ALA  25           HB3      ALA  25  -7.371  14.338  14.338
  180   2HB   ALA  25           HB2      ALA  25  -7.126  15.171  15.171
  181   3HB   ALA  25           HB1      ALA  25  -6.075  13.830  13.830
  182    H    HIS  26           HN       HIS  26  -9.822  12.519  12.519
  183    HA   HIS  26           HA       HIS  26  -8.301  12.919  12.919
  184   1HB   HIS  26           HB2      HIS  26 -10.062  14.720  14.720
  185   2HB   HIS  26           HB1      HIS  26  -8.663  15.152  15.152
  186    HD1  HIS  26           HD1      HIS  26 -12.399  15.033  15.033
  187    HD2  HIS  26           HD2      HIS  26  -9.282  15.769  15.769
  188    HE1  HIS  26           HE1      HIS  26 -13.442  16.083  16.083
  189    H    ALA  27           HN       ALA  27 -11.700  12.955  12.955
  190    HA   ALA  27           HA       ALA  27 -12.619  11.229  11.229
  191   1HB   ALA  27           HB3      ALA  27 -13.684  12.747  12.747
  192   2HB   ALA  27           HB2      ALA  27 -14.516  11.216  11.216
  193   3HB   ALA  27           HB1      ALA  27 -14.439  12.407  12.407
  194    H    LYS  28           HN       LYS  28 -11.330  10.903  10.903
  195    HA   LYS  28           HA       LYS  28 -12.177   8.221   8.221
  196   1HB   LYS  28           HB2      LYS  28 -11.542   9.745   9.745
  197   2HB   LYS  28           HB1      LYS  28  -9.955  10.073  10.073
  198   1HG   LYS  28           HG2      LYS  28  -9.521   7.465   7.465
  199   2HG   LYS  28           HG1      LYS  28 -10.865   7.611   7.611
  200   1HD   LYS  28           HD2      LYS  28  -8.786   7.910   7.910
  201   2HD   LYS  28           HD1      LYS  28  -9.656   9.440   9.440
  202   1HE   LYS  28           HE2      LYS  28  -8.217  10.126  10.126
  203   2HE   LYS  28           HE1      LYS  28  -7.305   8.614   8.614
  204   1HZ   LYS  28           HZ3      LYS  28  -6.871   9.280   9.280
  205   2HZ   LYS  28           HZ2      LYS  28  -7.720  10.730  10.730
  206   3HZ   LYS  28           HZ1      LYS  28  -6.272  10.433  10.433
  207    H    LYS  29           HN       LYS  29  -9.386   9.642   9.642
  208    HA   LYS  29           HA       LYS  29  -7.740   7.366   7.366
  209   1HB   LYS  29           HB2      LYS  29  -8.294   9.941   9.941
  210   2HB   LYS  29           HB1      LYS  29  -7.325   8.733   8.733
  211   1HG   LYS  29           HG2      LYS  29  -5.775  10.084  10.084
  212   2HG   LYS  29           HG1      LYS  29  -5.902   8.600   8.600
  213   1HD   LYS  29           HD2      LYS  29  -7.149   9.608   9.608
  214   2HD   LYS  29           HD1      LYS  29  -7.738  10.891  10.891
  215   1HE   LYS  29           HE2      LYS  29  -6.176  12.059  12.059
  216   2HE   LYS  29           HE1      LYS  29  -5.236  11.575  11.575
  217   1HZ   LYS  29           HZ3      LYS  29  -5.469   9.947   9.947
  218   2HZ   LYS  29           HZ2      LYS  29  -4.155  10.977  10.977
  219   3HZ   LYS  29           HZ1      LYS  29  -4.438   9.634   9.634
  220    H    SER  30           HN       SER  30 -10.300   8.625   8.625
  221    HA   SER  30           HA       SER  30 -11.395   7.545   7.545
  222   1HB   SER  30           HB2      SER  30 -12.320   6.805   6.805
  223   2HB   SER  30           HB1      SER  30 -11.327   5.327   5.327
  224    HG   SER  30           HG       SER  30 -13.145   4.674   4.674
  225    H    ALA  31           HN       ALA  31  -8.363   7.279   7.279
  226    HA   ALA  31           HA       ALA  31  -7.812   4.616   4.616
  227   1HB   ALA  31           HB3      ALA  31  -6.117   7.038   7.038
  228   2HB   ALA  31           HB2      ALA  31  -5.461   5.522   5.522
  229   3HB   ALA  31           HB1      ALA  31  -6.279   5.559   5.559
  230    H    TYR  32           HN       TYR  32  -9.339   7.064   7.064
  231    HA   TYR  32           HA       TYR  32  -7.831   7.203   7.203
  232   1HB   TYR  32           HB2      TYR  32  -9.457   9.291   9.291
  233   2HB   TYR  32           HB1      TYR  32  -8.006   9.456   9.456
  234    HD1  TYR  32           HD1      TYR  32  -8.513   9.337   9.337
  235    HD2  TYR  32           HD2      TYR  32 -11.628   9.275   9.275
  236    HE1  TYR  32           HE1      TYR  32 -10.183   9.866   9.866
  237    HE2  TYR  32           HE2      TYR  32 -13.301   9.797   9.797
  238    HH   TYR  32           HH       TYR  32 -13.248   9.346   9.346
  239    H    HIS  33           HN       HIS  33  -9.083   4.955   4.955
  240    HA   HIS  33           HA       HIS  33 -10.684   3.630   3.630
  241   1HB   HIS  33           HB2      HIS  33 -11.691   6.364   6.364
  242   2HB   HIS  33           HB1      HIS  33 -12.239   4.764   4.764
  243    HD1  HIS  33           HD1      HIS  33 -10.835   3.314   3.314
  244    HD2  HIS  33           HD2      HIS  33  -8.975   6.899   6.899
  245    HE1  HIS  33           HE1      HIS  33  -8.797   3.521   3.521
  246    H    SER  34           HN       SER  34 -11.242   5.777   5.777
  247    HA   SER  34           HA       SER  34 -12.834   5.955   5.955
  248   1HB   SER  34           HB2      SER  34 -13.910   3.362   3.362
  249   2HB   SER  34           HB1      SER  34 -13.805   3.968   3.968
  250    HG   SER  34           HG       SER  34 -11.976   2.526   2.526
  251    H    GLN  35           HN       GLN  35 -13.901   7.736   7.736
  252    HA   GLN  35           HA       GLN  35 -16.442   7.009   7.009
  253   1HB   GLN  35           HB2      GLN  35 -14.871   9.599   9.599
  254   2HB   GLN  35           HB1      GLN  35 -16.329   9.362   9.362
  255   1HG   GLN  35           HG2      GLN  35 -13.609   8.083   8.083
  256   2HG   GLN  35           HG1      GLN  35 -14.494   9.087   9.087
  257   1HE2  GLN  35          HE22      GLN  35 -14.967   5.146   5.146
  258   2HE2  GLN  35          HE21      GLN  35 -13.687   5.935   5.935
  259    H    VAL  36           HN       VAL  36 -15.162   8.358   8.358
  260    HA   VAL  36           HA       VAL  36 -16.212   9.139   9.139
  261    HB   VAL  36           HB       VAL  36 -18.673   7.938   7.938
  262   1HG1  VAL  36          HG11      VAL  36 -18.003   8.349   8.349
  263   2HG1  VAL  36          HG13      VAL  36 -19.089   7.065   7.065
  264   3HG1  VAL  36          HG12      VAL  36 -19.481   8.750   8.750
  265   1HG2  VAL  36          HG22      VAL  36 -16.309   6.611   6.611
  266   2HG2  VAL  36          HG21      VAL  36 -17.214   6.140   6.140
  267   3HG2  VAL  36          HG23      VAL  36 -17.913   5.897   5.897
  268    H    ALA  37           HN       ALA  37 -15.776  11.215  11.215
  269    HA   ALA  37           HA       ALA  37 -16.641  13.218  13.218
  270   1HB   ALA  37           HB3      ALA  37 -16.381  13.159  13.159
  271   2HB   ALA  37           HB2      ALA  37 -18.125  13.413  13.413
  272   3HB   ALA  37           HB1      ALA  37 -17.040  14.578  14.578
  273    H    PHE  38           HN       PHE  38 -18.126  11.775  11.775
  274    HA   PHE  38           HA       PHE  38 -20.964  11.800  11.800
  275   1HB   PHE  38           HB2      PHE  38 -21.171  10.492  10.492
  276   2HB   PHE  38           HB1      PHE  38 -19.937   9.897   9.897
  277    HD1  PHE  38           HD1      PHE  38 -18.563  12.800  12.800
  278    HD2  PHE  38           HD2      PHE  38 -19.626   8.791   8.791
  279    HE1  PHE  38           HE1      PHE  38 -16.913  12.873  12.873
  280    HE2  PHE  38           HE2      PHE  38 -17.968   8.871   8.871
  281    HZ   PHE  38           HZ       PHE  38 -16.619  10.915  10.915
  282    H    ILE  39           HN       ILE  39 -21.389  12.180  12.180
  283    HA   ILE  39           HA       ILE  39 -22.553  14.769  14.769
  284    HB   ILE  39           HB       ILE  39 -22.789  14.506  14.506
  285   1HG1  ILE  39          HG12      ILE  39 -21.537  11.806  11.806
  286   2HG1  ILE  39          HG11      ILE  39 -20.392  13.091  13.091
  287   1HG2  ILE  39          HG22      ILE  39 -24.299  13.352  13.352
  288   2HG2  ILE  39          HG21      ILE  39 -23.270  11.925  11.925
  289   3HG2  ILE  39          HG23      ILE  39 -24.150  12.499  12.499
  290   1HD1  ILE  39          HD12      ILE  39 -22.583  13.000  13.000
  291   2HD1  ILE  39          HD11      ILE  39 -20.908  12.516  12.516
  292   3HD1  ILE  39          HD13      ILE  39 -21.291  14.195  14.195
  293    H    THR  40           HN       THR  40 -19.331  13.844  13.844
  294    HA   THR  40           HA       THR  40 -18.813  16.722  16.722
  295    HB   THR  40           HB       THR  40 -17.300  14.205  14.205
  296    HG1  THR  40           HG1      THR  40 -19.265  15.723  15.723
  297   1HG2  THR  40          HG21      THR  40 -16.576  16.909  16.909
  298   2HG2  THR  40          HG23      THR  40 -17.122  16.485  16.485
  299   3HG2  THR  40          HG22      THR  40 -15.826  15.562  15.562
  300    H    LYS  41           HN       LYS  41 -17.215  17.826  17.826
  301    HA   LYS  41           HA       LYS  41 -16.202  16.789  16.789
  302   1HB   LYS  41           HB2      LYS  41 -15.108  18.972  18.972
  303   2HB   LYS  41           HB1      LYS  41 -16.759  19.161  19.161
  304   1HG   LYS  41           HG2      LYS  41 -15.778  20.379  20.379
  305   2HG   LYS  41           HG1      LYS  41 -15.414  18.828  18.828
  306   1HD   LYS  41           HD2      LYS  41 -13.418  19.464  19.464
  307   2HD   LYS  41           HD1      LYS  41 -13.600  20.821  20.821
  308   1HE   LYS  41           HE2      LYS  41 -12.631  19.695  19.695
  309   2HE   LYS  41           HE1      LYS  41 -13.540  18.210  18.210
  310   1HZ   LYS  41           HZ1      LYS  41 -11.286  19.177  19.177
  311   2HZ   LYS  41           HZ3      LYS  41 -11.158  17.973  17.973
  312   3HZ   LYS  41           HZ2      LYS  41 -12.143  17.719  17.719
  313    H    GLY  42           HN       GLY  42 -15.079  16.465  16.465
  314   1HA   GLY  42           HA2      GLY  42 -12.199  16.358  16.358
  315   2HA   GLY  42           HA1      GLY  42 -13.108  15.640  15.640
  316    H    LEU  43           HN       LEU  43 -14.725  14.242  14.242
  317    HA   LEU  43           HA       LEU  43 -14.641  12.252  12.252
  318   1HB   LEU  43           HB2      LEU  43 -11.587  12.645  12.645
  319   2HB   LEU  43           HB1      LEU  43 -12.470  11.515  11.515
  320    HG   LEU  43           HG       LEU  43 -12.985  14.465  14.465
  321   1HD1  LEU  43          HD12      LEU  43 -10.858  12.698  12.698
  322   2HD1  LEU  43          HD11      LEU  43 -11.623  13.692  13.692
  323   3HD1  LEU  43          HD13      LEU  43 -10.887  14.453  14.453
  324   1HD2  LEU  43          HD22      LEU  43 -14.826  12.970  12.970
  325   2HD2  LEU  43          HD21      LEU  43 -14.111  13.806  13.806
  326   3HD2  LEU  43          HD23      LEU  43 -13.714  12.115  12.115
  327    H    GLY  44           HN       GLY  44 -15.028  12.200  12.200
  328   1HA   GLY  44           HA2      GLY  44 -14.783  10.850  10.850
  329   2HA   GLY  44           HA1      GLY  44 -14.907   9.520   9.520
  330    H    ILE  45           HN       ILE  45 -12.495  12.051  12.051
  331    HA   ILE  45           HA       ILE  45 -10.353  10.017  10.017
  332    HB   ILE  45           HB       ILE  45  -8.927  12.109  12.109
  333   1HG1  ILE  45          HG12      ILE  45 -11.576  13.493  13.493
  334   2HG1  ILE  45          HG11      ILE  45 -10.630  13.588  13.588
  335   1HG2  ILE  45          HG21      ILE  45 -10.897  11.686  11.686
  336   2HG2  ILE  45          HG23      ILE  45  -9.581  12.854  12.854
  337   3HG2  ILE  45          HG22      ILE  45  -9.223  11.141  11.141
  338   1HD1  ILE  45          HD12      ILE  45  -8.731  14.539  14.539
  339   2HD1  ILE  45          HD11      ILE  45  -9.600  14.565  14.565
  340   3HD1  ILE  45          HD13      ILE  45 -10.162  15.553  15.553
  341    H    SER  46           HN       SER  46 -11.700  12.520  12.520
  342    HA   SER  46           HA       SER  46 -11.214  10.851  10.851
  343   1HB   SER  46           HB2      SER  46  -9.397  12.263  12.263
  344   2HB   SER  46           HB1      SER  46  -8.897  11.435  11.435
  345    HG   SER  46           HG       SER  46  -8.808  13.284  13.284
  346    H    TYR  47           HN       TYR  47 -13.105  13.141  13.141
  347    HA   TYR  47           HA       TYR  47 -13.275  15.074  15.074
  348   1HB   TYR  47           HB2      TYR  47 -15.068  16.016  16.016
  349   2HB   TYR  47           HB1      TYR  47 -13.855  15.364  15.364
  350    HD1  TYR  47           HD1      TYR  47 -17.111  14.507  14.507
  351    HD2  TYR  47           HD2      TYR  47 -14.199  13.761  13.761
  352    HE1  TYR  47           HE1      TYR  47 -18.720  13.032  13.032
  353    HE2  TYR  47           HE2      TYR  47 -15.796  12.299  12.299
  354    HH   TYR  47           HH       TYR  47 -18.433  10.986  10.986
  355    H    GLY  48           HN       GLY  48 -14.621  11.939  11.939
  356   1HA   GLY  48           HA2      GLY  48 -15.569  10.888  10.888
  357   2HA   GLY  48           HA1      GLY  48 -16.683  12.255  12.255
  358    H    ARG  49           HN       ARG  49 -15.467   9.860   9.860
  359    HA   ARG  49           HA       ARG  49 -17.901   9.911   9.911
  360   1HB   ARG  49           HB2      ARG  49 -15.684   9.487   9.487
  361   2HB   ARG  49           HB1      ARG  49 -15.554   8.029   8.029
  362   1HG   ARG  49           HG2      ARG  49 -17.982   7.681   7.681
  363   2HG   ARG  49           HG1      ARG  49 -16.932   8.469   8.469
  364   1HD   ARG  49           HD2      ARG  49 -16.285   5.926   5.926
  365   2HD   ARG  49           HD1      ARG  49 -16.620   6.072   6.072
  366    HE   ARG  49           HE       ARG  49 -14.614   7.953   7.953
  367   1HH1  ARG  49          HH11      ARG  49 -14.884   4.730   4.730
  368   2HH1  ARG  49          HH12      ARG  49 -13.266   4.286   4.286
  369   1HH2  ARG  49          HH21      ARG  49 -12.564   7.299   7.299
  370   2HH2  ARG  49          HH22      ARG  49 -11.954   5.739   5.739
  371    H    LYS  50           HN       LYS  50 -19.701   8.738   8.738
  372    HA   LYS  50           HA       LYS  50 -19.825   6.729   6.729
  373   1HB   LYS  50           HB2      LYS  50 -22.256   6.789   6.789
  374   2HB   LYS  50           HB1      LYS  50 -21.609   8.379   8.379
  375   1HG   LYS  50           HG2      LYS  50 -21.379   7.793   7.793
  376   2HG   LYS  50           HG1      LYS  50 -22.999   7.592   7.592
  377   1HD   LYS  50           HD2      LYS  50 -22.866   9.894   9.894
  378   2HD   LYS  50           HD1      LYS  50 -21.203  10.011  10.011
  379   1HE   LYS  50           HE2      LYS  50 -22.576  11.104  11.104
  380   2HE   LYS  50           HE1      LYS  50 -21.973   9.603   9.603
  381   1HZ   LYS  50           HZ2      LYS  50 -24.534   9.744   9.744
  382   2HZ   LYS  50           HZ1      LYS  50 -24.487  10.078  10.078
  383   3HZ   LYS  50           HZ3      LYS  50 -24.039   8.544   8.544
  384    H    LYS  51           HN       LYS  51 -19.767   6.924   6.924
  385    HA   LYS  51           HA       LYS  51 -18.881   4.329   4.329
  386   1HB   LYS  51           HB2      LYS  51 -21.098   3.273   3.273
  387   2HB   LYS  51           HB1      LYS  51 -20.924   3.416   3.416
  388   1HG   LYS  51           HG2      LYS  51 -22.112   5.896   5.896
  389   2HG   LYS  51           HG1      LYS  51 -22.912   4.565   4.565
  390   1HD   LYS  51           HD2      LYS  51 -22.546   4.521   4.521
  391   2HD   LYS  51           HD1      LYS  51 -23.962   5.176   5.176
  392   1HE   LYS  51           HE2      LYS  51 -24.209   2.944   2.944
  393   2HE   LYS  51           HE1      LYS  51 -22.915   2.331   2.331
  394   1HZ   LYS  51           HZ3      LYS  51 -24.176   3.036   3.036
  395   2HZ   LYS  51           HZ2      LYS  51 -25.426   3.620   3.620
  396   3HZ   LYS  51           HZ1      LYS  51 -25.094   1.955   1.955
  397    H    ARG  52           HN       ARG  52 -20.913   4.071   4.071
  398    HA   ARG  52           HA       ARG  52 -19.865   6.359   6.359
  399   1HB   ARG  52           HB2      ARG  52 -20.962   3.815   3.815
  400   2HB   ARG  52           HB1      ARG  52 -19.744   4.905   4.905
  401   1HG   ARG  52           HG2      ARG  52 -18.239   3.368   3.368
  402   2HG   ARG  52           HG1      ARG  52 -18.415   4.131   4.131
  403   1HD   ARG  52           HD2      ARG  52 -18.627   1.598   1.598
  404   2HD   ARG  52           HD1      ARG  52 -20.033   2.408   2.408
  405    HE   ARG  52           HE       ARG  52 -21.246   1.991   1.991
  406   1HH1  ARG  52          HH11      ARG  52 -17.998   1.417   1.417
  407   2HH1  ARG  52          HH12      ARG  52 -18.284  -0.040  -0.040
  408   1HH2  ARG  52          HH21      ARG  52 -21.640  -0.237  -0.237
  409   2HH2  ARG  52          HH22      ARG  52 -20.342  -0.975  -0.975
  410    H    ARG  53           HN       ARG  53 -22.632   5.194   5.194
  411    HA   ARG  53           HA       ARG  53 -24.915   5.668   5.668
  412   1HB   ARG  53           HB2      ARG  53 -23.796   7.895   7.895
  413   2HB   ARG  53           HB1      ARG  53 -23.911   7.879   7.879
  414   1HG   ARG  53           HG2      ARG  53 -25.814   9.093   9.093
  415   2HG   ARG  53           HG1      ARG  53 -26.436   7.534   7.534
  416   1HD   ARG  53           HD2      ARG  53 -26.216   6.740   6.740
  417   2HD   ARG  53           HD1      ARG  53 -25.832   8.413   8.413
  418    HE   ARG  53           HE       ARG  53 -28.090   8.997   8.997
  419   1HH1  ARG  53          HH21      ARG  53 -28.691   8.210   8.210
  420   2HH1  ARG  53          HH22      ARG  53 -29.688   6.800   6.800
  421   1HH2  ARG  53          HH11      ARG  53 -28.771   6.166   6.166
  422   2HH2  ARG  53          HH12      ARG  53 -29.732   5.640   5.640
  423    H    GLN  54           HN       GLN  54 -23.419   3.910   3.910
  424    HA   GLN  54           HA       GLN  54 -23.987   2.553   2.553
  425   1HB   GLN  54           HB2      GLN  54 -26.627   3.900   3.900
  426   2HB   GLN  54           HB1      GLN  54 -26.389   2.963   2.963
  427   1HG   GLN  54           HG2      GLN  54 -26.084   2.212   2.212
  428   2HG   GLN  54           HG1      GLN  54 -27.224   1.516   1.516
  429   1HE2  GLN  54          HE22      GLN  54 -23.591  -0.167  -0.167
  430   2HE2  GLN  54          HE21      GLN  54 -24.126   1.075   1.075
  431    H    ARG  55           HN       ARG  55 -24.160   6.019   6.019
  432    HA   ARG  55           HA       ARG  55 -24.103   7.446   7.446
  433   1HB   ARG  55           HB2      ARG  55 -22.587   5.062   5.062
  434   2HB   ARG  55           HB1      ARG  55 -22.455   6.762   6.762
  435   1HG   ARG  55           HG2      ARG  55 -21.653   7.356   7.356
  436   2HG   ARG  55           HG1      ARG  55 -21.748   5.662   5.662
  437   1HD   ARG  55           HD2      ARG  55 -20.024   6.757   6.757
  438   2HD   ARG  55           HD1      ARG  55 -19.425   6.260   6.260
  439    HE   ARG  55           HE       ARG  55 -20.255   4.485   4.485
  440   1HH1  ARG  55          HH21      ARG  55 -21.803   2.818   2.818
  441   2HH1  ARG  55          HH22      ARG  55 -20.999   2.025   2.025
  442   1HH2  ARG  55          HH11      ARG  55 -18.427   4.355   4.355
  443   2HH2  ARG  55          HH12      ARG  55 -19.082   2.898   2.898
  444    H    ARG  56           HN       ARG  56 -26.437   5.729   5.729
  445    HA   ARG  56           HA       ARG  56 -28.283   5.080   5.080
  446   1HB   ARG  56           HB2      ARG  56 -26.687   6.877   6.877
  447   2HB   ARG  56           HB1      ARG  56 -28.075   5.983   5.983
  448   1HG   ARG  56           HG2      ARG  56 -28.618   8.278   8.278
  449   2HG   ARG  56           HG1      ARG  56 -29.504   6.925   6.925
  450   1HD   ARG  56           HD2      ARG  56 -27.999   6.924   6.924
  451   2HD   ARG  56           HD1      ARG  56 -27.040   8.209   8.209
  452    HE   ARG  56           HE       ARG  56 -29.177   9.632   9.632
  453   1HH1  ARG  56          HH11      ARG  56 -30.425   6.713   6.713
  454   2HH1  ARG  56          HH12      ARG  56 -31.045   7.112   7.112
  455   1HH2  ARG  56          HH21      ARG  56 -29.368  10.149  10.149
  456   2HH2  ARG  56          HH22      ARG  56 -30.446   9.059   9.059
  457    H    ARG  57           HN       ARG  57 -27.028   2.970   2.970
  458    HA   ARG  57           HA       ARG  57 -25.498   1.609   1.609
  459   1HB   ARG  57           HB2      ARG  57 -25.845   1.093   1.093
  460   2HB   ARG  57           HB1      ARG  57 -27.407   0.400   0.400
  461   1HG   ARG  57           HG2      ARG  57 -26.016  -1.463  -1.463
  462   2HG   ARG  57           HG1      ARG  57 -26.061  -0.999  -0.999
  463   1HD   ARG  57           HD2      ARG  57 -23.824  -0.852  -0.852
  464   2HD   ARG  57           HD1      ARG  57 -23.968   0.539   0.539
  465    HE   ARG  57           HE       ARG  57 -23.647  -0.945  -0.945
  466   1HH1  ARG  57          HH11      ARG  57 -25.215  -3.302  -3.302
  467   2HH1  ARG  57          HH12      ARG  57 -23.995  -4.479  -4.479
  468   1HH2  ARG  57          HH21      ARG  57 -21.429  -2.145  -2.145
  469   2HH2  ARG  57          HH22      ARG  57 -21.847  -3.822  -3.822
  470    HA   PRO  58           HA       PRO  58 -29.664  -0.400  -0.400
  471   1HB   PRO  58           HB2      PRO  58 -31.944   1.078   1.078
  472   2HB   PRO  58           HB1      PRO  58 -31.356  -0.155  -0.155
  473   1HG   PRO  58           HG2      PRO  58 -31.000   2.813   2.813
  474   2HG   PRO  58           HG1      PRO  58 -31.419   1.713   1.713
  475   1HD   PRO  58           HD2      PRO  58 -29.014   2.712   2.712
  476   2HD   PRO  58           HD1      PRO  58 -29.209   1.091   1.091
  477    H    SER  59           HN       SER  59 -28.875   2.987   2.987
  478    HA   SER  59           HA       SER  59 -30.300   3.366   3.366
  479   1HB   SER  59           HB2      SER  59 -30.072   5.129   5.129
  480   2HB   SER  59           HB1      SER  59 -28.327   5.118   5.118
  481    HG   SER  59           HG       SER  59 -30.070   6.533   6.533
  482    H    GLN  60           HN       GLN  60 -29.366   2.397   2.397
  483    HA   GLN  60           HA       GLN  60 -26.498   2.922   2.922
  484   1HB   GLN  60           HB2      GLN  60 -27.795   0.286   0.286
  485   2HB   GLN  60           HB1      GLN  60 -26.585   0.363   0.363
  486   1HG   GLN  60           HG2      GLN  60 -25.015   1.390   1.390
  487   2HG   GLN  60           HG1      GLN  60 -26.279   1.493   1.493
  488   1HE2  GLN  60          HE22      GLN  60 -25.475  -1.761  -1.761
  489   2HE2  GLN  60          HE21      GLN  60 -25.959  -0.155  -0.155
  490    H    GLY  61           HN       GLY  61 -29.399   3.427   3.427
  491   1HA   GLY  61           HA2      GLY  61 -29.469   2.147   2.147
  492   2HA   GLY  61           HA1      GLY  61 -30.395   3.599   3.599
  493    H    GLY  62           HN       GLY  62 -27.577   2.332   2.332
  494   1HA   GLY  62           HA2      GLY  62 -25.894   3.335   3.335
  495   2HA   GLY  62           HA1      GLY  62 -27.063   4.627   4.627
  496    H    GLN  63           HN       GLN  63 -25.979   3.748   3.748
  497    HA   GLN  63           HA       GLN  63 -25.123   6.482   6.482
  498   1HB   GLN  63           HB2      GLN  63 -25.232   3.873   3.873
  499   2HB   GLN  63           HB1      GLN  63 -24.515   5.306   5.306
  500   1HG   GLN  63           HG2      GLN  63 -27.334   4.918   4.918
  501   2HG   GLN  63           HG1      GLN  63 -26.885   5.032   5.032
  502   1HE2  GLN  63          HE22      GLN  63 -25.886   8.667   8.667
  503   2HE2  GLN  63          HE21      GLN  63 -24.965   7.286   7.286
  504    H    THR  64           HN       THR  64 -23.470   3.369   3.369
  505    HA   THR  64           HA       THR  64 -21.153   2.878   2.878
  506    HB   THR  64           HB       THR  64 -21.064   5.772   5.772
  507    HG1  THR  64           HG1      THR  64 -22.021   5.158   5.158
  508   1HG2  THR  64          HG22      THR  64 -18.930   4.351   4.351
  509   2HG2  THR  64          HG21      THR  64 -19.343   3.535   3.535
  510   3HG2  THR  64          HG23      THR  64 -19.019   5.268   5.268
  511    H    HIS  65           HN       HIS  65 -22.055   3.493   3.493
  512    HA   HIS  65           HA       HIS  65 -20.660   5.637   5.637
  513   1HB   HIS  65           HB2      HIS  65 -22.204   3.198   3.198
  514   2HB   HIS  65           HB1      HIS  65 -21.154   3.794   3.794
  515    HD1  HIS  65           HD1      HIS  65 -24.396   3.564   3.564
  516    HD2  HIS  65           HD2      HIS  65 -22.270   7.043   7.043
  517    HE1  HIS  65           HE1      HIS  65 -26.054   5.472   5.472
  518    H    GLN  66           HN       GLN  66 -19.124   4.775   4.775
  519    HA   GLN  66           HA       GLN  66 -17.007   3.118   3.118
  520   1HB   GLN  66           HB2      GLN  66 -17.013   5.555   5.555
  521   2HB   GLN  66           HB1      GLN  66 -15.522   4.596   4.596
  522   1HG   GLN  66           HG2      GLN  66 -15.104   5.663   5.663
  523   2HG   GLN  66           HG1      GLN  66 -16.542   4.908   4.908
  524   1HE2  GLN  66          HE22      GLN  66 -18.621   7.832   7.832
  525   2HE2  GLN  66          HE21      GLN  66 -18.685   6.141   6.141
  526    H    ASP  67           HN       ASP  67 -17.855   4.203   4.203
  527    HA   ASP  67           HA       ASP  67 -16.712   1.799   1.799
  528   1HB   ASP  67           HB2      ASP  67 -16.754   4.149   4.149
  529   2HB   ASP  67           HB1      ASP  67 -18.488   3.910   3.910
  530    HA   PRO  68           HA       PRO  68 -21.279   0.736   0.736
  531   1HB   PRO  68           HB2      PRO  68 -23.239   1.975   1.975
  532   2HB   PRO  68           HB1      PRO  68 -22.600   2.602   2.602
  533   1HG   PRO  68           HG2      PRO  68 -22.158   3.548   3.548
  534   2HG   PRO  68           HG1      PRO  68 -22.009   4.444   4.444
  535   1HD   PRO  68           HD2      PRO  68 -19.898   3.397   3.397
  536   2HD   PRO  68           HD1      PRO  68 -19.830   4.162   4.162
  537    H    ILE  69           HN       ILE  69 -20.139   1.143   1.143
  538    HA   ILE  69           HA       ILE  69 -21.549  -1.371  -1.371
  539    HB   ILE  69           HB       ILE  69 -22.511   0.857   0.857
  540   1HG1  ILE  69          HG12      ILE  69 -22.139  -1.499  -1.499
  541   2HG1  ILE  69          HG11      ILE  69 -23.373  -0.239  -0.239
  542   1HG2  ILE  69          HG22      ILE  69 -19.916   0.897   0.897
  543   2HG2  ILE  69          HG21      ILE  69 -21.281   1.968   1.968
  544   3HG2  ILE  69          HG23      ILE  69 -20.422   2.044   2.044
  545   1HD1  ILE  69          HD13      ILE  69 -21.763   0.831   0.831
  546   2HD1  ILE  69          HD12      ILE  69 -20.612  -0.474  -0.474
  547   3HD1  ILE  69          HD11      ILE  69 -22.130  -0.806  -0.806
  548    HA   PRO  70           HA       PRO  70 -16.923  -1.002  -1.002
  549   1HB   PRO  70           HB2      PRO  70 -15.564  -2.085  -2.085
  550   2HB   PRO  70           HB1      PRO  70 -15.836  -0.338  -0.338
  551   1HG   PRO  70           HG2      PRO  70 -17.223  -2.356  -2.356
  552   2HG   PRO  70           HG1      PRO  70 -16.831  -0.669  -0.669
  553   1HD   PRO  70           HD2      PRO  70 -19.362  -1.485  -1.485
  554   2HD   PRO  70           HD1      PRO  70 -18.650   0.125   0.125
  555    H    LYS  71           HN       LYS  71 -19.129  -3.321  -3.321
  556    HA   LYS  71           HA       LYS  71 -17.367  -5.655  -5.655
  557   1HB   LYS  71           HB2      LYS  71 -19.460  -6.892  -6.892
  558   2HB   LYS  71           HB1      LYS  71 -19.021  -5.686  -5.686
  559   1HG   LYS  71           HG2      LYS  71 -20.721  -4.300  -4.300
  560   2HG   LYS  71           HG1      LYS  71 -21.423  -5.911  -5.911
  561   1HD   LYS  71           HD2      LYS  71 -22.345  -4.457  -4.457
  562   2HD   LYS  71           HD1      LYS  71 -21.368  -5.638  -5.638
  563   1HE   LYS  71           HE2      LYS  71 -19.512  -3.878  -3.878
  564   2HE   LYS  71           HE1      LYS  71 -20.643  -2.748  -2.748
  565   1HZ   LYS  71           HZ3      LYS  71 -22.207  -3.137  -3.137
  566   2HZ   LYS  71           HZ2      LYS  71 -21.123  -4.218  -4.218
  567   3HZ   LYS  71           HZ1      LYS  71 -20.732  -2.569  -2.569
  568    H    GLN  72           HN       GLN  72 -19.973  -3.910  -3.910
  569    HA   GLN  72           HA       GLN  72 -19.202  -5.027  -5.027
  570   1HB   GLN  72           HB2      GLN  72 -21.859  -5.775  -5.775
  571   2HB   GLN  72           HB1      GLN  72 -20.510  -6.880  -6.880
  572   1HG   GLN  72           HG2      GLN  72 -21.932  -7.295  -7.295
  573   2HG   GLN  72           HG1      GLN  72 -20.844  -6.255  -6.255
  574   1HE2  GLN  72          HE22      GLN  72 -23.538  -3.626  -3.626
  575   2HE2  GLN  72          HE21      GLN  72 -21.846  -3.718  -3.718
  576    HA   PRO  73           HA       PRO  73 -21.149  -1.244  -1.244
  577   1HB   PRO  73           HB2      PRO  73 -22.179  -1.879  -1.879
  578   2HB   PRO  73           HB1      PRO  73 -20.428  -1.603  -1.603
  579   1HG   PRO  73           HG2      PRO  73 -21.896  -4.221  -4.221
  580   2HG   PRO  73           HG1      PRO  73 -20.397  -3.816  -3.816
  581   1HD   PRO  73           HD2      PRO  73 -20.410  -5.200  -5.200
  582   2HD   PRO  73           HD1      PRO  73 -19.168  -3.952  -3.952
  583    H    SER  74           HN       SER  74 -23.007  -4.210  -4.210
  584    HA   SER  74           HA       SER  74 -25.282  -4.736  -4.736
  585   1HB   SER  74           HB2      SER  74 -23.940  -4.214  -4.214
  586   2HB   SER  74           HB1      SER  74 -25.177  -3.070  -3.070
  587    HG   SER  74           HG       SER  74 -25.456  -5.800  -5.800
  588    H    SER  75           HN       SER  75 -25.065  -2.467  -2.467
  589    HA   SER  75           HA       SER  75 -27.663  -1.442  -1.442
  590   1HB   SER  75           HB2      SER  75 -26.147  -0.291  -0.291
  591   2HB   SER  75           HB1      SER  75 -26.452   0.914   0.914
  592    HG   SER  75           HG       SER  75 -28.659   0.411   0.411
  593    H    GLN  76           HN       GLN  76 -24.246  -0.483  -0.483
  594    HA   GLN  76           HA       GLN  76 -24.661   1.427   1.427
  595   1HB   GLN  76           HB2      GLN  76 -22.253  -0.101  -0.101
  596   2HB   GLN  76           HB1      GLN  76 -22.181   1.105   1.105
  597   1HG   GLN  76           HG2      GLN  76 -21.873   2.554   2.554
  598   2HG   GLN  76           HG1      GLN  76 -23.622   2.474   2.474
  599   1HE2  GLN  76          HE22      GLN  76 -23.561   0.730   0.730
  600   2HE2  GLN  76          HE21      GLN  76 -24.519   1.409   1.409
  601    HA   PRO  77           HA       PRO  77 -23.265  -2.210  -2.210
  602   1HB   PRO  77           HB2      PRO  77 -23.405  -4.774  -4.774
  603   2HB   PRO  77           HB1      PRO  77 -21.933  -3.756  -3.756
  604   1HG   PRO  77           HG2      PRO  77 -24.069  -4.242  -4.242
  605   2HG   PRO  77           HG1      PRO  77 -22.313  -4.172  -4.172
  606   1HD   PRO  77           HD2      PRO  77 -23.921  -2.171  -2.171
  607   2HD   PRO  77           HD1      PRO  77 -22.275  -1.903  -1.903
  608    H    ARG  78           HN       ARG  78 -25.984  -2.123  -2.123
  609    HA   ARG  78           HA       ARG  78 -27.691  -3.301  -3.301
  610   1HB   ARG  78           HB2      ARG  78 -28.684  -4.864  -4.864
  611   2HB   ARG  78           HB1      ARG  78 -26.885  -4.929  -4.929
  612   1HG   ARG  78           HG2      ARG  78 -26.698  -3.644  -3.644
  613   2HG   ARG  78           HG1      ARG  78 -28.401  -3.205  -3.205
  614   1HD   ARG  78           HD2      ARG  78 -29.005  -5.592  -5.592
  615   2HD   ARG  78           HD1      ARG  78 -27.278  -5.988  -5.988
  616    HE   ARG  78           HE       ARG  78 -27.871  -3.765  -3.765
  617   1HH1  ARG  78          HH11      ARG  78 -26.573  -6.752  -6.752
  618   2HH1  ARG  78          HH12      ARG  78 -27.315  -7.245  -7.245
  619   1HH2  ARG  78          HH21      ARG  78 -29.535  -4.573  -4.573
  620   2HH2  ARG  78          HH22      ARG  78 -28.994  -6.008  -6.008
  621    H    GLY  79           HN       GLY  79 -27.382  -0.497  -0.497
  622   1HA   GLY  79           HA2      GLY  79 -30.218   0.047   0.047
  623   2HA   GLY  79           HA1      GLY  79 -29.070   0.584   0.584
  624    H    ASP  80           HN       ASP  80 -28.358   2.636   2.636
  625    HA   ASP  80           HA       ASP  80 -29.036   4.186   4.186
  626   1HB   ASP  80           HB2      ASP  80 -27.388   4.711   4.711
  627   2HB   ASP  80           HB1      ASP  80 -27.789   5.958   5.958
  628    HA   PRO  81           HA       PRO  81 -25.311   3.492   3.492
  629   1HB   PRO  81           HB2      PRO  81 -25.290   5.760   5.760
  630   2HB   PRO  81           HB1      PRO  81 -26.398   4.407   4.407
  631   1HG   PRO  81           HG2      PRO  81 -26.884   7.010   7.010
  632   2HG   PRO  81           HG1      PRO  81 -27.925   6.110   6.110
  633   1HD   PRO  81           HD2      PRO  81 -28.250   6.097   6.097
  634   2HD   PRO  81           HD1      PRO  81 -28.734   4.746   4.746
  635    H    THR  82           HN       THR  82 -24.043   3.790   3.790
  636    HA   THR  82           HA       THR  82 -23.102   6.318   6.318
  637    HB   THR  82           HB       THR  82 -21.134   4.667   4.667
  638    HG1  THR  82           HG1      THR  82 -23.056   2.699   2.699
  639   1HG2  THR  82          HG21      THR  82 -23.381   5.603   5.603
  640   2HG2  THR  82          HG23      THR  82 -23.753   3.880   3.880
  641   3HG2  THR  82          HG22      THR  82 -22.292   4.463   4.463
  642    H    GLY  83           HN       GLY  83 -21.163   3.894   3.894
  643   1HA   GLY  83           HA2      GLY  83 -20.215   5.759   5.759
  644   2HA   GLY  83           HA1      GLY  83 -19.075   5.606   5.606
  645    HA   PRO  84           HA       PRO  84 -17.955   1.789   1.789
  646   1HB   PRO  84           HB2      PRO  84 -15.625   1.440   1.440
  647   2HB   PRO  84           HB1      PRO  84 -15.817   2.661   2.661
  648   1HG   PRO  84           HG2      PRO  84 -15.549   3.033   3.033
  649   2HG   PRO  84           HG1      PRO  84 -15.518   4.246   4.246
  650   1HD   PRO  84           HD2      PRO  84 -17.703   3.326   3.326
  651   2HD   PRO  84           HD1      PRO  84 -17.619   4.896   4.896
  652    H    LYS  85           HN       LYS  85 -19.243   1.954   1.954
  653    HA   LYS  85           HA       LYS  85 -18.413  -0.730  -0.730
  654   1HB   LYS  85           HB2      LYS  85 -20.320   1.383   1.383
  655   2HB   LYS  85           HB1      LYS  85 -19.885  -0.104  -0.104
  656   1HG   LYS  85           HG2      LYS  85 -17.721   0.589   0.589
  657   2HG   LYS  85           HG1      LYS  85 -17.666   1.662   1.662
  658   1HD   LYS  85           HD2      LYS  85 -17.771   3.012   3.012
  659   2HD   LYS  85           HD1      LYS  85 -19.265   3.190   3.190
  660   1HE   LYS  85           HE2      LYS  85 -19.997   2.853   2.853
  661   2HE   LYS  85           HE1      LYS  85 -20.176   1.261   1.261
  662   1HZ   LYS  85           HZ1      LYS  85 -17.633   2.062   2.062
  663   2HZ   LYS  85           HZ3      LYS  85 -18.875   1.330   1.330
  664   3HZ   LYS  85           HZ2      LYS  85 -18.165   0.502   0.502
  665    H    GLU  86           HN       GLU  86 -20.463   0.163   0.163
  666    HA   GLU  86           HA       GLU  86 -22.901  -1.259  -1.259
  667   1HB   GLU  86           HB2      GLU  86 -21.702  -0.165  -0.165
  668   2HB   GLU  86           HB1      GLU  86 -23.349  -0.845  -0.845
  669   1HG   GLU  86           HG2      GLU  86 -23.764   0.804   0.804
  670   2HG   GLU  86           HG1      GLU  86 -22.152   1.507   1.507

  Start of MODEL    8
    1   1H    LEU   1           HT3      LEU   1 -24.837  21.634  21.634
    2   2H    LEU   1           HT2      LEU   1 -23.878  21.989  21.989
    3   3H    LEU   1           HT1      LEU   1 -25.507  21.545  21.545
    4    HA   LEU   1           HA       LEU   1 -24.097  19.676  19.676
    5   1HB   LEU   1           HB2      LEU   1 -22.520  18.842  18.842
    6   2HB   LEU   1           HB1      LEU   1 -22.229  20.571  20.571
    7    HG   LEU   1           HG       LEU   1 -24.094  20.529  20.529
    8   1HD1  LEU   1          HD13      LEU   1 -22.713  17.974  17.974
    9   2HD1  LEU   1          HD12      LEU   1 -22.499  18.894  18.894
   10   3HD1  LEU   1          HD11      LEU   1 -24.122  18.520  18.520
   11   1HD2  LEU   1          HD21      LEU   1 -21.153  20.919  20.919
   12   2HD2  LEU   1          HD23      LEU   1 -22.417  22.058  22.058
   13   3HD2  LEU   1          HD22      LEU   1 -21.861  20.842  20.842
   14    H    ASP   2           HN       ASP   2 -24.510  17.437  17.437
   15    HA   ASP   2           HA       ASP   2 -26.108  15.833  15.833
   16   1HB   ASP   2           HB2      ASP   2 -24.821  16.631  16.631
   17   2HB   ASP   2           HB1      ASP   2 -26.320  17.523  17.523
   18    HA   PRO   3           HA       PRO   3 -29.749  18.683  18.683
   19   1HB   PRO   3           HB2      PRO   3 -30.054  18.631  18.631
   20   2HB   PRO   3           HB1      PRO   3 -29.043  19.808  19.808
   21   1HG   PRO   3           HG2      PRO   3 -28.237  17.482  17.482
   22   2HG   PRO   3           HG1      PRO   3 -27.352  18.955  18.955
   23   1HD   PRO   3           HD2      PRO   3 -27.188  16.369  16.369
   24   2HD   PRO   3           HD1      PRO   3 -26.185  17.800  17.800
   25    H    VAL   4           HN       VAL   4 -29.849  16.550  16.550
   26    HA   VAL   4           HA       VAL   4 -32.153  15.046  15.046
   27    HB   VAL   4           HB       VAL   4 -30.232  14.919  14.919
   28   1HG1  VAL   4          HG12      VAL   4 -31.357  12.605  12.605
   29   2HG1  VAL   4          HG11      VAL   4 -32.697  13.262  13.262
   30   3HG1  VAL   4          HG13      VAL   4 -31.125  13.015  13.015
   31   1HG2  VAL   4          HG22      VAL   4 -33.171  15.577  15.577
   32   2HG2  VAL   4          HG21      VAL   4 -31.851  16.709  16.709
   33   3HG2  VAL   4          HG23      VAL   4 -32.270  15.503  15.503
   34    H    ASP   5           HN       ASP   5 -28.802  14.305  14.305
   35    HA   ASP   5           HA       ASP   5 -28.386  12.632  12.632
   36   1HB   ASP   5           HB2      ASP   5 -28.968  11.566  11.566
   37   2HB   ASP   5           HB1      ASP   5 -27.536  10.836  10.836
   38    HA   PRO   6           HA       PRO   6 -24.365  13.830  13.830
   39   1HB   PRO   6           HB2      PRO   6 -23.919  13.410  13.410
   40   2HB   PRO   6           HB1      PRO   6 -23.844  12.097  12.097
   41   1HG   PRO   6           HG2      PRO   6 -25.835  12.593  12.593
   42   2HG   PRO   6           HG1      PRO   6 -25.561  11.124  11.124
   43   1HD   PRO   6           HD2      PRO   6 -27.446  13.276  13.276
   44   2HD   PRO   6           HD1      PRO   6 -27.439  11.614  11.614
   45    H    ASN   7           HN       ASN   7 -23.451  15.470  15.470
   46    HA   ASN   7           HA       ASN   7 -25.185  17.799  17.799
   47   1HB   ASN   7           HB2      ASN   7 -22.626  17.120  17.120
   48   2HB   ASN   7           HB1      ASN   7 -23.424  18.691  18.691
   49   1HD2  ASN   7          HD22      ASN   7 -21.528  17.862  17.862
   50   2HD2  ASN   7          HD21      ASN   7 -21.759  16.628  16.628
   51    H    ILE   8           HN       ILE   8 -24.135  15.926  15.926
   52    HA   ILE   8           HA       ILE   8 -26.790  16.510  16.510
   53    HB   ILE   8           HB       ILE   8 -25.732  17.121  17.121
   54   1HG1  ILE   8          HG12      ILE   8 -23.899  15.323  15.323
   55   2HG1  ILE   8          HG11      ILE   8 -23.383  16.874  16.874
   56   1HG2  ILE   8          HG21      ILE   8 -25.036  18.501  18.501
   57   2HG2  ILE   8          HG23      ILE   8 -23.744  18.686  18.686
   58   3HG2  ILE   8          HG22      ILE   8 -25.389  19.166  19.166
   59   1HD1  ILE   8          HD11      ILE   8 -22.834  17.293  17.293
   60   2HD1  ILE   8          HD13      ILE   8 -22.812  15.531  15.531
   61   3HD1  ILE   8          HD12      ILE   8 -21.720  16.413  16.413
   62    H    GLU   9           HN       GLU   9 -25.248  14.114  14.114
   63    HA   GLU   9           HA       GLU   9 -25.051  11.794  11.794
   64   1HB   GLU   9           HB2      GLU   9 -27.284  12.573  12.573
   65   2HB   GLU   9           HB1      GLU   9 -26.751  10.918  10.918
   66   1HG   GLU   9           HG2      GLU   9 -27.345  10.983  10.983
   67   2HG   GLU   9           HG1      GLU   9 -27.527  12.743  12.743
   68    HA   PRO  10           HA       PRO  10 -22.590  12.480  12.480
   69   1HB   PRO  10           HB2      PRO  10 -20.165  12.881  12.881
   70   2HB   PRO  10           HB1      PRO  10 -21.352  14.181  14.181
   71   1HG   PRO  10           HG2      PRO  10 -20.594  12.816  12.816
   72   2HG   PRO  10           HG1      PRO  10 -21.038  14.557  14.557
   73   1HD   PRO  10           HD2      PRO  10 -22.586  12.416  12.416
   74   2HD   PRO  10           HD1      PRO  10 -23.212  13.977  13.977
   75    H    TRP  11           HN       TRP  11 -23.300  10.005  10.005
   76    HA   TRP  11           HA       TRP  11 -20.717   8.525   8.525
   77   1HB   TRP  11           HB2      TRP  11 -23.626   7.906   7.906
   78   2HB   TRP  11           HB1      TRP  11 -22.285   6.744   6.744
   79    HD1  TRP  11           HD1      TRP  11 -23.408   9.998   9.998
   80    HE1  TRP  11           HE1      TRP  11 -22.190  10.169  10.169
   81    HE3  TRP  11           HE3      TRP  11 -20.304   5.966   5.966
   82    HZ2  TRP  11           HZ2      TRP  11 -20.150   8.759   8.759
   83    HZ3  TRP  11           HZ3      TRP  11 -18.743   5.410   5.410
   84    HH2  TRP  11           HH2      TRP  11 -18.662   6.795   6.795
   85    H    ASN  12           HN       ASN  12 -22.018   9.544   9.544
   86    HA   ASN  12           HA       ASN  12 -22.042   6.942   6.942
   87   1HB   ASN  12           HB2      ASN  12 -24.092   7.863   7.863
   88   2HB   ASN  12           HB1      ASN  12 -24.326   7.434   7.434
   89   1HD2  ASN  12          HD22      ASN  12 -24.711  10.774  10.774
   90   2HD2  ASN  12          HD21      ASN  12 -24.161   9.240   9.240
   91    H    HIS  13           HN       HIS  13 -21.999   7.421   7.421
   92    HA   HIS  13           HA       HIS  13 -20.402   9.896   9.896
   93   1HB   HIS  13           HB2      HIS  13 -19.838   7.007   7.007
   94   2HB   HIS  13           HB1      HIS  13 -19.163   8.030   8.030
   95    HD1  HIS  13           HD1      HIS  13 -17.042   6.810   6.810
   96    HD2  HIS  13           HD2      HIS  13 -18.896  10.375  10.375
   97    HE1  HIS  13           HE1      HIS  13 -15.446   7.988   7.988
   98    HA   PRO  14           HA       PRO  14 -22.789  10.064  10.064
   99   1HB   PRO  14           HB2      PRO  14 -20.952  11.236  11.236
  100   2HB   PRO  14           HB1      PRO  14 -21.560  12.336  12.336
  101   1HG   PRO  14           HG2      PRO  14 -19.144  11.010  11.010
  102   2HG   PRO  14           HG1      PRO  14 -19.674  12.552  12.552
  103   1HD   PRO  14           HD2      PRO  14 -19.077  10.113  10.113
  104   2HD   PRO  14           HD1      PRO  14 -19.950  11.416  11.416
  105    H    GLY  15           HN       GLY  15 -19.596   8.623   8.623
  106   1HA   GLY  15           HA2      GLY  15 -18.738   6.819   6.819
  107   2HA   GLY  15           HA1      GLY  15 -20.299   6.478   6.478
  108    H    SER  16           HN       SER  16 -18.418   9.504   9.504
  109    HA   SER  16           HA       SER  16 -17.296   9.013   9.013
  110   1HB   SER  16           HB2      SER  16 -19.620   9.539   9.539
  111   2HB   SER  16           HB1      SER  16 -19.352  11.099  11.099
  112    HG   SER  16           HG       SER  16 -19.307  11.159  11.159
  113    H    GLN  17           HN       GLN  17 -16.871  10.385  10.385
  114    HA   GLN  17           HA       GLN  17 -14.803  12.184  12.184
  115   1HB   GLN  17           HB2      GLN  17 -15.924  13.927  13.927
  116   2HB   GLN  17           HB1      GLN  17 -16.213  13.766  13.766
  117   1HG   GLN  17           HG2      GLN  17 -18.174  12.100  12.100
  118   2HG   GLN  17           HG1      GLN  17 -18.140  13.366  13.366
  119   1HE2  GLN  17          HE22      GLN  17 -19.156  14.296  14.296
  120   2HE2  GLN  17          HE21      GLN  17 -18.402  12.800  12.800
  121    HA   PRO  18           HA       PRO  18 -13.944  11.653  11.653
  122   1HB   PRO  18           HB2      PRO  18 -15.556  10.002  10.002
  123   2HB   PRO  18           HB1      PRO  18 -15.821  11.762  11.762
  124   1HG   PRO  18           HG2      PRO  18 -17.154   9.535   9.535
  125   2HG   PRO  18           HG1      PRO  18 -17.842  10.997  10.997
  126   1HD   PRO  18           HD2      PRO  18 -17.413  10.696  10.696
  127   2HD   PRO  18           HD1      PRO  18 -17.265  12.317  12.317
  128    H    LYS  19           HN       LYS  19 -15.281   9.101   9.101
  129    HA   LYS  19           HA       LYS  19 -13.209   7.160   7.160
  130   1HB   LYS  19           HB2      LYS  19 -15.461   6.516   6.516
  131   2HB   LYS  19           HB1      LYS  19 -14.720   5.465   5.465
  132   1HG   LYS  19           HG2      LYS  19 -15.786   6.852   6.852
  133   2HG   LYS  19           HG1      LYS  19 -16.497   7.849   7.849
  134   1HD   LYS  19           HD2      LYS  19 -18.246   6.357   6.357
  135   2HD   LYS  19           HD1      LYS  19 -17.521   5.672   5.672
  136   1HE   LYS  19           HE2      LYS  19 -16.191   4.110   4.110
  137   2HE   LYS  19           HE1      LYS  19 -16.931   4.793   4.793
  138   1HZ   LYS  19           HZ2      LYS  19 -18.452   3.666   3.666
  139   2HZ   LYS  19           HZ1      LYS  19 -18.115   2.812   2.812
  140   3HZ   LYS  19           HZ3      LYS  19 -19.097   4.193   4.193
  141    H    THR  20           HN       THR  20 -13.413   9.500   9.500
  142    HA   THR  20           HA       THR  20 -11.785   8.006   8.006
  143    HB   THR  20           HB       THR  20 -13.251   8.325   8.325
  144    HG1  THR  20           HG1      THR  20 -13.622  10.301  10.301
  145   1HG2  THR  20          HG23      THR  20 -14.682   7.337   7.337
  146   2HG2  THR  20          HG22      THR  20 -15.183   8.960   8.960
  147   3HG2  THR  20          HG21      THR  20 -15.604   8.334   8.334
  148    H    ALA  21           HN       ALA  21 -13.129  11.199  11.199
  149    HA   ALA  21           HA       ALA  21 -10.814  12.656  12.656
  150   1HB   ALA  21           HB3      ALA  21 -13.352  13.297  13.297
  151   2HB   ALA  21           HB2      ALA  21 -12.925  13.755  13.755
  152   3HB   ALA  21           HB1      ALA  21 -12.133  14.539  14.539
  153    H    SER  22           HN       SER  22 -11.796  11.219  11.219
  154    HA   SER  22           HA       SER  22  -9.394  12.356  12.356
  155   1HB   SER  22           HB2      SER  22 -11.499  13.528  13.528
  156   2HB   SER  22           HB1      SER  22 -12.154  11.909  11.909
  157    HG   SER  22           HG       SER  22 -10.275  13.502  13.502
  158    H    ASN  23           HN       ASN  23 -10.137   9.678   9.678
  159    HA   ASN  23           HA       ASN  23 -10.414   7.730   7.730
  160   1HB   ASN  23           HB2      ASN  23 -10.564   6.216   6.216
  161   2HB   ASN  23           HB1      ASN  23 -11.035   7.756   7.756
  162   1HD2  ASN  23          HD22      ASN  23  -8.017   8.148   8.148
  163   2HD2  ASN  23          HD21      ASN  23  -9.169   9.058   9.058
  164    H    ARG  24           HN       ARG  24  -8.028   9.511   9.511
  165    HA   ARG  24           HA       ARG  24  -5.584   8.291   8.291
  166   1HB   ARG  24           HB2      ARG  24  -6.668  10.217  10.217
  167   2HB   ARG  24           HB1      ARG  24  -5.126   9.550   9.550
  168   1HG   ARG  24           HG2      ARG  24  -4.697  11.543  11.543
  169   2HG   ARG  24           HG1      ARG  24  -4.266  10.151  10.151
  170   1HD   ARG  24           HD2      ARG  24  -5.646  11.566  11.566
  171   2HD   ARG  24           HD1      ARG  24  -6.637  10.189  10.189
  172    HE   ARG  24           HE       ARG  24  -7.862  11.576  11.576
  173   1HH1  ARG  24          HH21      ARG  24  -5.939  13.110  13.110
  174   2HH1  ARG  24          HH22      ARG  24  -6.061  14.710  14.710
  175   1HH2  ARG  24          HH11      ARG  24  -7.699  13.687  13.687
  176   2HH2  ARG  24          HH12      ARG  24  -7.061  15.037  15.037
  177    H    ALA  25           HN       ALA  25  -7.532   7.900   7.900
  178    HA   ALA  25           HA       ALA  25  -7.808   5.947   5.947
  179   1HB   ALA  25           HB2      ALA  25  -6.773   4.807   4.807
  180   2HB   ALA  25           HB1      ALA  25  -5.311   4.744   4.744
  181   3HB   ALA  25           HB3      ALA  25  -6.783   3.942   3.942
  182    H    HIS  26           HN       HIS  26  -6.205   8.378   8.378
  183    HA   HIS  26           HA       HIS  26  -4.943   7.554   7.554
  184   1HB   HIS  26           HB2      HIS  26  -2.692   8.663   8.663
  185   2HB   HIS  26           HB1      HIS  26  -3.038   7.000   7.000
  186    HD1  HIS  26           HD1      HIS  26  -2.563  10.448  10.448
  187    HD2  HIS  26           HD2      HIS  26  -3.787   6.734   6.734
  188    HE1  HIS  26           HE1      HIS  26  -2.511  10.594  10.594
  189    H    ALA  27           HN       ALA  27  -5.050  10.164  10.164
  190    HA   ALA  27           HA       ALA  27  -5.163  12.243  12.243
  191   1HB   ALA  27           HB3      ALA  27  -5.204  12.179  12.179
  192   2HB   ALA  27           HB2      ALA  27  -5.390  13.678  13.678
  193   3HB   ALA  27           HB1      ALA  27  -3.901  12.741  12.741
  194    H    LYS  28           HN       LYS  28  -7.284  10.287  10.287
  195    HA   LYS  28           HA       LYS  28  -9.640  11.913  11.913
  196   1HB   LYS  28           HB2      LYS  28  -9.546   9.982   9.982
  197   2HB   LYS  28           HB1      LYS  28  -8.851   9.088   9.088
  198   1HG   LYS  28           HG2      LYS  28 -11.156   9.032   9.032
  199   2HG   LYS  28           HG1      LYS  28 -11.749  10.086  10.086
  200   1HD   LYS  28           HD2      LYS  28 -12.402   7.813   7.813
  201   2HD   LYS  28           HD1      LYS  28 -11.156   8.268   8.268
  202   1HE   LYS  28           HE2      LYS  28  -9.501   7.195   7.195
  203   2HE   LYS  28           HE1      LYS  28 -10.973   6.387   6.387
  204   1HZ   LYS  28           HZ2      LYS  28 -11.391   5.819   5.819
  205   2HZ   LYS  28           HZ1      LYS  28  -9.832   6.399   6.399
  206   3HZ   LYS  28           HZ3      LYS  28 -10.025   5.062   5.062
  207    H    LYS  29           HN       LYS  29  -9.083   9.096   9.096
  208    HA   LYS  29           HA       LYS  29 -11.034  10.079  10.079
  209   1HB   LYS  29           HB2      LYS  29 -10.461   7.956   7.956
  210   2HB   LYS  29           HB1      LYS  29 -10.765   7.692   7.692
  211   1HG   LYS  29           HG2      LYS  29  -7.897   8.246   8.246
  212   2HG   LYS  29           HG1      LYS  29  -8.518   6.917   6.917
  213   1HD   LYS  29           HD2      LYS  29  -9.577   6.146   6.146
  214   2HD   LYS  29           HD1      LYS  29  -8.391   7.264   7.264
  215   1HE   LYS  29           HE2      LYS  29  -6.558   6.056   6.056
  216   2HE   LYS  29           HE1      LYS  29  -7.473   5.224   5.224
  217   1HZ   LYS  29           HZ1      LYS  29  -8.253   4.929   4.929
  218   2HZ   LYS  29           HZ3      LYS  29  -7.006   3.974   3.974
  219   3HZ   LYS  29           HZ2      LYS  29  -8.565   3.890   3.890
  220    H    SER  30           HN       SER  30  -7.531  10.026  10.026
  221    HA   SER  30           HA       SER  30  -5.882  11.240  11.240
  222   1HB   SER  30           HB2      SER  30  -8.011  12.674  12.674
  223   2HB   SER  30           HB1      SER  30  -7.960  12.466  12.466
  224    HG   SER  30           HG       SER  30  -6.331  13.922  13.922
  225    H    ALA  31           HN       ALA  31  -6.942   8.595   8.595
  226    HA   ALA  31           HA       ALA  31  -6.697   7.091   7.091
  227   1HB   ALA  31           HB1      ALA  31  -4.392   8.580   8.580
  228   2HB   ALA  31           HB3      ALA  31  -4.498   8.550   8.550
  229   3HB   ALA  31           HB2      ALA  31  -4.469   7.039   7.039
  230    H    TYR  32           HN       TYR  32  -8.684   7.636   7.636
  231    HA   TYR  32           HA       TYR  32  -8.115   8.578   8.578
  232   1HB   TYR  32           HB2      TYR  32  -9.855  10.394  10.394
  233   2HB   TYR  32           HB1      TYR  32  -8.554  10.710  10.710
  234    HD1  TYR  32           HD1      TYR  32  -9.418   9.130   9.130
  235    HD2  TYR  32           HD2      TYR  32 -11.827  11.101  11.101
  236    HE1  TYR  32           HE1      TYR  32 -11.276   9.263   9.263
  237    HE2  TYR  32           HE2      TYR  32 -13.700  11.228  11.228
  238    HH   TYR  32           HH       TYR  32 -13.648  11.200  11.200
  239    H    HIS  33           HN       HIS  33  -8.823   6.075   6.075
  240    HA   HIS  33           HA       HIS  33 -10.285   4.283   4.283
  241   1HB   HIS  33           HB2      HIS  33 -11.462   6.381   6.381
  242   2HB   HIS  33           HB1      HIS  33 -11.931   4.677   4.677
  243    HD1  HIS  33           HD1      HIS  33 -10.314   2.930   2.930
  244    HD2  HIS  33           HD2      HIS  33  -8.830   6.822   6.822
  245    HE1  HIS  33           HE1      HIS  33  -8.253   2.838   2.838
  246    H    SER  34           HN       SER  34 -11.039   6.818   6.818
  247    HA   SER  34           HA       SER  34 -12.754   7.339   7.339
  248   1HB   SER  34           HB2      SER  34 -12.953   4.415   4.415
  249   2HB   SER  34           HB1      SER  34 -14.192   5.153   5.153
  250    HG   SER  34           HG       SER  34 -12.695   5.647   5.647
  251    H    GLN  35           HN       GLN  35 -13.479   8.597   8.597
  252    HA   GLN  35           HA       GLN  35 -16.002   7.639   7.639
  253   1HB   GLN  35           HB2      GLN  35 -14.444  10.232  10.232
  254   2HB   GLN  35           HB1      GLN  35 -15.765   9.612   9.612
  255   1HG   GLN  35           HG2      GLN  35 -13.092   8.333   8.333
  256   2HG   GLN  35           HG1      GLN  35 -13.640   9.110   9.110
  257   1HE2  GLN  35          HE22      GLN  35 -14.581   5.272   5.272
  258   2HE2  GLN  35          HE21      GLN  35 -13.437   6.153   6.153
  259    H    VAL  36           HN       VAL  36 -15.024   9.775   9.775
  260    HA   VAL  36           HA       VAL  36 -16.307  11.058  11.058
  261    HB   VAL  36           HB       VAL  36 -18.454   9.368   9.368
  262   1HG1  VAL  36          HG13      VAL  36 -18.823  11.136  11.136
  263   2HG1  VAL  36          HG12      VAL  36 -19.824   9.725   9.725
  264   3HG1  VAL  36          HG11      VAL  36 -19.767  11.063  11.063
  265   1HG2  VAL  36          HG21      VAL  36 -16.867   9.080   9.080
  266   2HG2  VAL  36          HG23      VAL  36 -16.973   7.967   7.967
  267   3HG2  VAL  36          HG22      VAL  36 -18.362   8.193   8.193
  268    H    ALA  37           HN       ALA  37 -18.184  12.773  12.773
  269    HA   ALA  37           HA       ALA  37 -17.820  14.403  14.403
  270   1HB   ALA  37           HB3      ALA  37 -19.016  14.681  14.681
  271   2HB   ALA  37           HB2      ALA  37 -19.505  15.831  15.831
  272   3HB   ALA  37           HB1      ALA  37 -17.806  15.689  15.689
  273    H    PHE  38           HN       PHE  38 -18.951  12.689  12.689
  274    HA   PHE  38           HA       PHE  38 -21.854  12.443  12.443
  275   1HB   PHE  38           HB2      PHE  38 -21.651  10.799  10.799
  276   2HB   PHE  38           HB1      PHE  38 -20.451  10.587  10.587
  277    HD1  PHE  38           HD1      PHE  38 -18.115  11.070  11.070
  278    HD2  PHE  38           HD2      PHE  38 -21.021  11.419  11.419
  279    HE1  PHE  38           HE1      PHE  38 -16.305  11.055  11.055
  280    HE2  PHE  38           HE2      PHE  38 -19.202  11.414  11.414
  281    HZ   PHE  38           HZ       PHE  38 -16.841  11.222  11.222
  282    H    ILE  39           HN       ILE  39 -22.270  12.297  12.297
  283    HA   ILE  39           HA       ILE  39 -23.478  14.832  14.832
  284    HB   ILE  39           HB       ILE  39 -23.897  14.083  14.083
  285   1HG1  ILE  39          HG12      ILE  39 -22.300  11.715  11.715
  286   2HG1  ILE  39          HG11      ILE  39 -21.209  13.028  13.028
  287   1HG2  ILE  39          HG21      ILE  39 -24.492  12.587  12.587
  288   2HG2  ILE  39          HG23      ILE  39 -23.683  11.396  11.396
  289   3HG2  ILE  39          HG22      ILE  39 -25.104  12.248  12.248
  290   1HD1  ILE  39          HD12      ILE  39 -22.797  14.154  14.154
  291   2HD1  ILE  39          HD11      ILE  39 -23.100  12.460  12.460
  292   3HD1  ILE  39          HD13      ILE  39 -21.457  13.097  13.097
  293    H    THR  40           HN       THR  40 -20.155  13.876  13.876
  294    HA   THR  40           HA       THR  40 -19.738  16.605  16.605
  295    HB   THR  40           HB       THR  40 -18.082  14.078  14.078
  296    HG1  THR  40           HG1      THR  40 -19.408  13.518  13.518
  297   1HG2  THR  40          HG22      THR  40 -17.014  16.350  16.350
  298   2HG2  THR  40          HG21      THR  40 -18.169  16.534  16.534
  299   3HG2  THR  40          HG23      THR  40 -16.990  15.220  15.220
  300    H    LYS  41           HN       LYS  41 -18.381  17.963  17.963
  301    HA   LYS  41           HA       LYS  41 -17.381  17.183  17.183
  302   1HB   LYS  41           HB2      LYS  41 -17.178  19.654  19.654
  303   2HB   LYS  41           HB1      LYS  41 -16.506  19.573  19.573
  304   1HG   LYS  41           HG2      LYS  41 -19.355  18.715  18.715
  305   2HG   LYS  41           HG1      LYS  41 -18.994  20.423  20.423
  306   1HD   LYS  41           HD2      LYS  41 -19.604  19.645  19.645
  307   2HD   LYS  41           HD1      LYS  41 -18.018  20.400  20.400
  308   1HE   LYS  41           HE2      LYS  41 -17.821  18.403  18.403
  309   2HE   LYS  41           HE1      LYS  41 -16.988  18.046  18.046
  310   1HZ   LYS  41           HZ3      LYS  41 -19.311  17.246  17.246
  311   2HZ   LYS  41           HZ2      LYS  41 -19.713  17.252  17.252
  312   3HZ   LYS  41           HZ1      LYS  41 -18.460  16.256  16.256
  313    H    GLY  42           HN       GLY  42 -16.029  16.383  16.383
  314   1HA   GLY  42           HA2      GLY  42 -13.272  17.033  17.033
  315   2HA   GLY  42           HA1      GLY  42 -13.661  16.294  16.294
  316    H    LEU  43           HN       LEU  43 -15.229  14.877  14.877
  317    HA   LEU  43           HA       LEU  43 -14.803  13.010  13.010
  318   1HB   LEU  43           HB2      LEU  43 -12.337  14.544  14.544
  319   2HB   LEU  43           HB1      LEU  43 -12.040  12.833  12.833
  320    HG   LEU  43           HG       LEU  43 -13.385  12.959  12.959
  321   1HD1  LEU  43          HD11      LEU  43 -14.314  15.670  15.670
  322   2HD1  LEU  43          HD13      LEU  43 -14.590  14.835  14.835
  323   3HD1  LEU  43          HD12      LEU  43 -15.254  14.177  14.177
  324   1HD2  LEU  43          HD21      LEU  43 -11.806  15.573  15.573
  325   2HD2  LEU  43          HD23      LEU  43 -11.078  14.047  14.047
  326   3HD2  LEU  43          HD22      LEU  43 -12.196  14.890  14.890
  327    H    GLY  44           HN       GLY  44 -15.271  12.506  12.506
  328   1HA   GLY  44           HA2      GLY  44 -14.872  11.001  11.001
  329   2HA   GLY  44           HA1      GLY  44 -14.766   9.822   9.822
  330    H    ILE  45           HN       ILE  45 -12.519  12.515  12.515
  331    HA   ILE  45           HA       ILE  45 -10.254  10.705  10.705
  332    HB   ILE  45           HB       ILE  45  -8.977  12.800  12.800
  333   1HG1  ILE  45          HG12      ILE  45 -10.688  14.868  14.868
  334   2HG1  ILE  45          HG11      ILE  45 -11.725  13.710  13.710
  335   1HG2  ILE  45          HG23      ILE  45 -11.022  12.726  12.726
  336   2HG2  ILE  45          HG22      ILE  45  -9.854  14.042  14.042
  337   3HG2  ILE  45          HG21      ILE  45  -9.295  12.384  12.384
  338   1HD1  ILE  45          HD11      ILE  45  -9.263  13.598  13.598
  339   2HD1  ILE  45          HD13      ILE  45  -9.433  15.308  15.308
  340   3HD1  ILE  45          HD12      ILE  45 -10.676  14.495  14.495
  341    H    SER  46           HN       SER  46 -12.183  12.076  12.076
  342    HA   SER  46           HA       SER  46 -10.866  10.228  10.228
  343   1HB   SER  46           HB2      SER  46  -9.293  12.302  12.302
  344   2HB   SER  46           HB1      SER  46 -10.316  13.099  13.099
  345    HG   SER  46           HG       SER  46  -9.409  11.978  11.978
  346    H    TYR  47           HN       TYR  47 -13.543  12.418  12.418
  347    HA   TYR  47           HA       TYR  47 -14.077  12.718  12.718
  348   1HB   TYR  47           HB2      TYR  47 -16.300  13.793  13.793
  349   2HB   TYR  47           HB1      TYR  47 -14.753  14.504  14.504
  350    HD1  TYR  47           HD1      TYR  47 -17.176  12.159  12.159
  351    HD2  TYR  47           HD2      TYR  47 -13.967  14.974  14.974
  352    HE1  TYR  47           HE1      TYR  47 -17.506  12.124  12.124
  353    HE2  TYR  47           HE2      TYR  47 -14.298  14.926  14.926
  354    HH   TYR  47           HH       TYR  47 -16.471  14.381  14.381
  355    H    GLY  48           HN       GLY  48 -17.120  12.208  12.208
  356   1HA   GLY  48           HA2      GLY  48 -17.444   9.839   9.839
  357   2HA   GLY  48           HA1      GLY  48 -18.665  10.515  10.515
  358    H    ARG  49           HN       ARG  49 -17.716  10.171  10.171
  359    HA   ARG  49           HA       ARG  49 -17.495   8.526   8.526
  360   1HB   ARG  49           HB2      ARG  49 -15.809   7.470   7.470
  361   2HB   ARG  49           HB1      ARG  49 -15.763   6.752   6.752
  362   1HG   ARG  49           HG2      ARG  49 -15.334   9.369   9.369
  363   2HG   ARG  49           HG1      ARG  49 -14.727   9.360   9.360
  364   1HD   ARG  49           HD2      ARG  49 -12.852   8.835   8.835
  365   2HD   ARG  49           HD1      ARG  49 -13.328   7.335   7.335
  366    HE   ARG  49           HE       ARG  49 -14.795   7.771   7.771
  367   1HH1  ARG  49          HH11      ARG  49 -11.546   7.475   7.475
  368   2HH1  ARG  49          HH12      ARG  49 -11.433   5.871   5.871
  369   1HH2  ARG  49          HH21      ARG  49 -14.844   5.254   5.254
  370   2HH2  ARG  49          HH22      ARG  49 -13.302   4.613   4.613
  371    H    LYS  50           HN       LYS  50 -19.869   8.271   8.271
  372    HA   LYS  50           HA       LYS  50 -20.417   5.778   5.778
  373   1HB   LYS  50           HB2      LYS  50 -22.797   6.424   6.424
  374   2HB   LYS  50           HB1      LYS  50 -21.876   7.648   7.648
  375   1HG   LYS  50           HG2      LYS  50 -21.406   8.134   8.134
  376   2HG   LYS  50           HG1      LYS  50 -23.099   7.714   7.714
  377   1HD   LYS  50           HD2      LYS  50 -23.142  10.049  10.049
  378   2HD   LYS  50           HD1      LYS  50 -23.060   9.335   9.335
  379   1HE   LYS  50           HE2      LYS  50 -21.510  11.170  11.170
  380   2HE   LYS  50           HE1      LYS  50 -20.607   9.668   9.668
  381   1HZ   LYS  50           HZ1      LYS  50 -21.297  10.313  10.313
  382   2HZ   LYS  50           HZ3      LYS  50 -20.333  11.506  11.506
  383   3HZ   LYS  50           HZ2      LYS  50 -19.782   9.906   9.906
  384    H    LYS  51           HN       LYS  51 -20.268   6.666   6.666
  385    HA   LYS  51           HA       LYS  51 -20.175   5.275   5.275
  386   1HB   LYS  51           HB2      LYS  51 -20.683   2.928   2.928
  387   2HB   LYS  51           HB1      LYS  51 -20.026   2.919   2.919
  388   1HG   LYS  51           HG2      LYS  51 -18.510   4.813   4.813
  389   2HG   LYS  51           HG1      LYS  51 -18.526   3.257   3.257
  390   1HD   LYS  51           HD2      LYS  51 -16.701   2.991   2.991
  391   2HD   LYS  51           HD1      LYS  51 -17.990   2.344   2.344
  392   1HE   LYS  51           HE2      LYS  51 -18.277   4.726   4.726
  393   2HE   LYS  51           HE1      LYS  51 -16.732   5.107   5.107
  394   1HZ   LYS  51           HZ1      LYS  51 -17.183   2.797   2.797
  395   2HZ   LYS  51           HZ3      LYS  51 -16.499   4.267   4.267
  396   3HZ   LYS  51           HZ2      LYS  51 -15.692   3.299   3.299
  397    H    ARG  52           HN       ARG  52 -22.815   4.474   4.474
  398    HA   ARG  52           HA       ARG  52 -24.582   3.637   3.637
  399   1HB   ARG  52           HB2      ARG  52 -25.354   4.202   4.202
  400   2HB   ARG  52           HB1      ARG  52 -26.085   3.071   3.071
  401   1HG   ARG  52           HG2      ARG  52 -23.478   2.861   2.861
  402   2HG   ARG  52           HG1      ARG  52 -24.813   1.702   1.702
  403   1HD   ARG  52           HD2      ARG  52 -22.786   2.232   2.232
  404   2HD   ARG  52           HD1      ARG  52 -23.020   0.763   0.763
  405    HE   ARG  52           HE       ARG  52 -24.726   1.673   1.673
  406   1HH1  ARG  52          HH21      ARG  52 -27.010   1.337   1.337
  407   2HH1  ARG  52          HH22      ARG  52 -27.233  -0.359  -0.359
  408   1HH2  ARG  52          HH11      ARG  52 -23.927  -1.175  -1.175
  409   2HH2  ARG  52          HH12      ARG  52 -25.484  -1.784  -1.784
  410    H    ARG  53           HN       ARG  53 -23.529   6.613   6.613
  411    HA   ARG  53           HA       ARG  53 -25.832   8.235   8.235
  412   1HB   ARG  53           HB2      ARG  53 -24.382  10.003  10.003
  413   2HB   ARG  53           HB1      ARG  53 -23.446   8.908   8.908
  414   1HG   ARG  53           HG2      ARG  53 -23.346   8.271   8.271
  415   2HG   ARG  53           HG1      ARG  53 -22.548   9.769   9.769
  416   1HD   ARG  53           HD2      ARG  53 -21.476   8.225   8.225
  417   2HD   ARG  53           HD1      ARG  53 -22.004   6.931   6.931
  418    HE   ARG  53           HE       ARG  53 -20.818   8.828   8.828
  419   1HH1  ARG  53          HH11      ARG  53 -19.181   8.823   8.823
  420   2HH1  ARG  53          HH12      ARG  53 -17.859   7.814   7.814
  421   1HH2  ARG  53          HH21      ARG  53 -19.443   6.653   6.653
  422   2HH2  ARG  53          HH22      ARG  53 -18.005   6.591   6.591
  423    H    GLN  54           HN       GLN  54 -24.740   6.526   6.526
  424    HA   GLN  54           HA       GLN  54 -25.971   8.239   8.239
  425   1HB   GLN  54           HB2      GLN  54 -25.368   5.253   5.253
  426   2HB   GLN  54           HB1      GLN  54 -25.418   6.503   6.503
  427   1HG   GLN  54           HG2      GLN  54 -23.496   7.586   7.586
  428   2HG   GLN  54           HG1      GLN  54 -23.374   6.776   6.776
  429   1HE2  GLN  54          HE22      GLN  54 -21.364   4.239   4.239
  430   2HE2  GLN  54          HE21      GLN  54 -21.812   5.234   5.234
  431    H    ARG  55           HN       ARG  55 -27.022   5.476   5.476
  432    HA   ARG  55           HA       ARG  55 -29.156   4.567   4.567
  433   1HB   ARG  55           HB2      ARG  55 -29.872   7.279   7.279
  434   2HB   ARG  55           HB1      ARG  55 -31.066   6.122   6.122
  435   1HG   ARG  55           HG2      ARG  55 -29.595   6.073   6.073
  436   2HG   ARG  55           HG1      ARG  55 -29.042   7.632   7.632
  437   1HD   ARG  55           HD2      ARG  55 -31.694   8.012   8.012
  438   2HD   ARG  55           HD1      ARG  55 -31.763   6.796   6.796
  439    HE   ARG  55           HE       ARG  55 -29.750   8.758   8.758
  440   1HH1  ARG  55          HH21      ARG  55 -31.398   7.993   7.993
  441   2HH1  ARG  55          HH22      ARG  55 -32.538   9.284   9.284
  442   1HH2  ARG  55          HH11      ARG  55 -31.982  10.567  10.567
  443   2HH2  ARG  55          HH12      ARG  55 -32.871  10.746  10.746
  444    H    ARG  56           HN       ARG  56 -27.736   4.618   4.618
  445    HA   ARG  56           HA       ARG  56 -29.957   3.097   3.097
  446   1HB   ARG  56           HB2      ARG  56 -28.007   5.015   5.015
  447   2HB   ARG  56           HB1      ARG  56 -29.295   4.143   4.143
  448   1HG   ARG  56           HG2      ARG  56 -30.912   5.528   5.528
  449   2HG   ARG  56           HG1      ARG  56 -30.211   5.736   5.736
  450   1HD   ARG  56           HD2      ARG  56 -28.504   7.211   7.211
  451   2HD   ARG  56           HD1      ARG  56 -29.109   6.930   6.930
  452    HE   ARG  56           HE       ARG  56 -31.292   7.983   7.983
  453   1HH1  ARG  56          HH11      ARG  56 -28.459   9.396   9.396
  454   2HH1  ARG  56          HH12      ARG  56 -29.163  10.354  10.354
  455   1HH2  ARG  56          HH21      ARG  56 -32.271   8.814   8.814
  456   2HH2  ARG  56          HH22      ARG  56 -31.325  10.024  10.024
  457    H    ARG  57           HN       ARG  57 -27.748   2.084   2.084
  458    HA   ARG  57           HA       ARG  57 -25.453   1.315   1.315
  459   1HB   ARG  57           HB2      ARG  57 -26.151   1.101   1.101
  460   2HB   ARG  57           HB1      ARG  57 -26.866  -0.448  -0.448
  461   1HG   ARG  57           HG2      ARG  57 -24.582  -0.777  -0.777
  462   2HG   ARG  57           HG1      ARG  57 -24.660  -1.152  -1.152
  463   1HD   ARG  57           HD2      ARG  57 -23.913   1.322   1.322
  464   2HD   ARG  57           HD1      ARG  57 -23.524   1.317   1.317
  465    HE   ARG  57           HE       ARG  57 -22.489  -0.937  -0.937
  466   1HH1  ARG  57          HH21      ARG  57 -20.895  -1.041  -1.041
  467   2HH1  ARG  57          HH22      ARG  57 -19.643   0.143   0.143
  468   1HH2  ARG  57          HH11      ARG  57 -21.330   1.942   1.942
  469   2HH2  ARG  57          HH12      ARG  57 -19.891   1.836   1.836
  470    HA   PRO  58           HA       PRO  58 -27.824  -2.567  -2.567
  471   1HB   PRO  58           HB2      PRO  58 -30.561  -2.553  -2.553
  472   2HB   PRO  58           HB1      PRO  58 -29.553  -3.122  -3.122
  473   1HG   PRO  58           HG2      PRO  58 -31.033  -0.575  -0.575
  474   2HG   PRO  58           HG1      PRO  58 -30.675  -1.502  -1.502
  475   1HD   PRO  58           HD2      PRO  58 -29.422   0.749   0.749
  476   2HD   PRO  58           HD1      PRO  58 -28.794  -0.179  -0.179
  477    H    SER  59           HN       SER  59 -29.147   0.641   0.641
  478    HA   SER  59           HA       SER  59 -30.160  -0.046  -0.046
  479   1HB   SER  59           HB2      SER  59 -31.062   1.769   1.769
  480   2HB   SER  59           HB1      SER  59 -29.526   2.619   2.619
  481    HG   SER  59           HG       SER  59 -30.301   3.418   3.418
  482    H    GLN  60           HN       GLN  60 -28.711  -0.526  -0.526
  483    HA   GLN  60           HA       GLN  60 -26.344   1.234   1.234
  484   1HB   GLN  60           HB2      GLN  60 -26.327  -1.803  -1.803
  485   2HB   GLN  60           HB1      GLN  60 -24.972  -0.771  -0.771
  486   1HG   GLN  60           HG2      GLN  60 -24.909   0.236   0.236
  487   2HG   GLN  60           HG1      GLN  60 -26.447  -0.455  -0.455
  488   1HE2  GLN  60          HE22      GLN  60 -24.836  -3.905  -3.905
  489   2HE2  GLN  60          HE21      GLN  60 -26.009  -3.179  -3.179
  490    H    GLY  61           HN       GLY  61 -28.987   0.816   0.816
  491   1HA   GLY  61           HA2      GLY  61 -28.350  -0.489  -0.489
  492   2HA   GLY  61           HA1      GLY  61 -29.793   0.474   0.474
  493    H    GLY  62           HN       GLY  62 -26.412   0.625   0.625
  494   1HA   GLY  62           HA2      GLY  62 -25.320   2.228   2.228
  495   2HA   GLY  62           HA1      GLY  62 -26.857   3.074   3.074
  496    H    GLN  63           HN       GLN  63 -25.782   2.259   2.259
  497    HA   GLN  63           HA       GLN  63 -25.701   5.042   5.042
  498   1HB   GLN  63           HB2      GLN  63 -25.282   2.351   2.351
  499   2HB   GLN  63           HB1      GLN  63 -24.889   3.794   3.794
  500   1HG   GLN  63           HG2      GLN  63 -27.416   3.046   3.046
  501   2HG   GLN  63           HG1      GLN  63 -27.270   3.017   3.017
  502   1HE2  GLN  63          HE22      GLN  63 -26.911   6.838   6.838
  503   2HE2  GLN  63          HE21      GLN  63 -25.811   5.597   5.597
  504    H    THR  64           HN       THR  64 -23.264   2.768   2.768
  505    HA   THR  64           HA       THR  64 -20.886   2.862   2.862
  506    HB   THR  64           HB       THR  64 -21.621   5.780   5.780
  507    HG1  THR  64           HG1      THR  64 -21.285   3.774   3.774
  508   1HG2  THR  64          HG22      THR  64 -19.116   4.288   4.288
  509   2HG2  THR  64          HG21      THR  64 -19.413   5.252   5.252
  510   3HG2  THR  64          HG23      THR  64 -19.381   6.026   6.026
  511    H    HIS  65           HN       HIS  65 -21.921   2.612   2.612
  512    HA   HIS  65           HA       HIS  65 -21.290   4.726   4.726
  513   1HB   HIS  65           HB2      HIS  65 -22.067   1.826   1.826
  514   2HB   HIS  65           HB1      HIS  65 -21.337   2.716   2.716
  515    HD1  HIS  65           HD1      HIS  65 -24.486   1.815   1.815
  516    HD2  HIS  65           HD2      HIS  65 -22.928   5.630   5.630
  517    HE1  HIS  65           HE1      HIS  65 -26.421   3.430   3.430
  518    H    GLN  66           HN       GLN  66 -19.120   2.652   2.652
  519    HA   GLN  66           HA       GLN  66 -16.793   2.402   2.402
  520   1HB   GLN  66           HB2      GLN  66 -17.219   4.442   4.442
  521   2HB   GLN  66           HB1      GLN  66 -15.658   4.159   4.159
  522   1HG   GLN  66           HG2      GLN  66 -16.338   5.490   5.490
  523   2HG   GLN  66           HG1      GLN  66 -17.930   4.737   4.737
  524   1HE2  GLN  66          HE22      GLN  66 -19.489   7.135   7.135
  525   2HE2  GLN  66          HE21      GLN  66 -19.661   5.649   5.649
  526    H    ASP  67           HN       ASP  67 -17.759   3.002   3.002
  527    HA   ASP  67           HA       ASP  67 -15.920   1.001   1.001
  528   1HB   ASP  67           HB2      ASP  67 -16.371   2.943   2.943
  529   2HB   ASP  67           HB1      ASP  67 -18.113   2.696   2.696
  530    HA   PRO  68           HA       PRO  68 -19.778  -1.609  -1.609
  531   1HB   PRO  68           HB2      PRO  68 -22.226  -0.841  -0.841
  532   2HB   PRO  68           HB1      PRO  68 -21.578  -0.314  -0.314
  533   1HG   PRO  68           HG2      PRO  68 -21.621   1.003   1.003
  534   2HG   PRO  68           HG1      PRO  68 -21.886   1.860   1.860
  535   1HD   PRO  68           HD2      PRO  68 -19.629   1.964   1.964
  536   2HD   PRO  68           HD1      PRO  68 -19.742   2.143   2.143
  537    H    ILE  69           HN       ILE  69 -19.680  -0.058  -0.058
  538    HA   ILE  69           HA       ILE  69 -20.103  -2.787  -2.787
  539    HB   ILE  69           HB       ILE  69 -21.434  -1.810  -1.810
  540   1HG1  ILE  69          HG12      ILE  69 -21.313   0.963   0.963
  541   2HG1  ILE  69          HG11      ILE  69 -19.669   0.387   0.387
  542   1HG2  ILE  69          HG21      ILE  69 -22.488  -1.796  -1.796
  543   2HG2  ILE  69          HG23      ILE  69 -22.024  -0.101  -0.101
  544   3HG2  ILE  69          HG22      ILE  69 -23.159  -0.597  -0.597
  545   1HD1  ILE  69          HD12      ILE  69 -20.742  -0.763  -0.763
  546   2HD1  ILE  69          HD11      ILE  69 -22.183   0.202   0.202
  547   3HD1  ILE  69          HD13      ILE  69 -20.662   0.999   0.999
  548    HA   PRO  70           HA       PRO  70 -16.029  -0.674  -0.674
  549   1HB   PRO  70           HB2      PRO  70 -14.381  -2.441  -2.441
  550   2HB   PRO  70           HB1      PRO  70 -14.786  -0.829  -0.829
  551   1HG   PRO  70           HG2      PRO  70 -15.832  -3.596  -3.596
  552   2HG   PRO  70           HG1      PRO  70 -15.565  -2.291  -2.291
  553   1HD   PRO  70           HD2      PRO  70 -18.036  -2.919  -2.919
  554   2HD   PRO  70           HD1      PRO  70 -17.576  -1.188  -1.188
  555    H    LYS  71           HN       LYS  71 -17.697  -3.549  -3.549
  556    HA   LYS  71           HA       LYS  71 -15.700  -5.181  -5.181
  557   1HB   LYS  71           HB2      LYS  71 -17.727  -6.564  -6.564
  558   2HB   LYS  71           HB1      LYS  71 -17.499  -6.222  -6.222
  559   1HG   LYS  71           HG2      LYS  71 -19.105  -4.091  -4.091
  560   2HG   LYS  71           HG1      LYS  71 -19.721  -5.620  -5.620
  561   1HD   LYS  71           HD2      LYS  71 -20.751  -4.761  -4.761
  562   2HD   LYS  71           HD1      LYS  71 -20.263  -6.462  -6.462
  563   1HE   LYS  71           HE2      LYS  71 -18.162  -5.736  -5.736
  564   2HE   LYS  71           HE1      LYS  71 -18.719  -4.080  -4.080
  565   1HZ   LYS  71           HZ3      LYS  71 -20.211  -6.392  -6.392
  566   2HZ   LYS  71           HZ2      LYS  71 -19.401  -5.199  -5.199
  567   3HZ   LYS  71           HZ1      LYS  71 -20.765  -4.790  -4.790
  568    H    GLN  72           HN       GLN  72 -18.204  -2.844  -2.844
  569    HA   GLN  72           HA       GLN  72 -17.012  -2.650  -2.650
  570   1HB   GLN  72           HB2      GLN  72 -19.468  -3.470  -3.470
  571   2HB   GLN  72           HB1      GLN  72 -18.078  -4.557  -4.557
  572   1HG   GLN  72           HG2      GLN  72 -19.825  -5.653  -5.653
  573   2HG   GLN  72           HG1      GLN  72 -18.983  -5.054  -5.054
  574   1HE2  GLN  72          HE22      GLN  72 -21.832  -2.817  -2.817
  575   2HE2  GLN  72          HE21      GLN  72 -20.175  -3.032  -3.032
  576    HA   PRO  73           HA       PRO  73 -19.329   1.100   1.100
  577   1HB   PRO  73           HB2      PRO  73 -20.462   1.097   1.097
  578   2HB   PRO  73           HB1      PRO  73 -18.725   1.398   1.398
  579   1HG   PRO  73           HG2      PRO  73 -20.104  -1.182  -1.182
  580   2HG   PRO  73           HG1      PRO  73 -18.676  -0.456  -0.456
  581   1HD   PRO  73           HD2      PRO  73 -18.479  -2.425  -2.425
  582   2HD   PRO  73           HD1      PRO  73 -17.320  -1.083  -1.083
  583    H    SER  74           HN       SER  74 -21.095  -1.686  -1.686
  584    HA   SER  74           HA       SER  74 -23.228  -2.547  -2.547
  585   1HB   SER  74           HB2      SER  74 -22.110  -1.815  -1.815
  586   2HB   SER  74           HB1      SER  74 -23.388  -0.773  -0.773
  587    HG   SER  74           HG       SER  74 -24.322  -2.530  -2.530
  588    H    SER  75           HN       SER  75 -24.877  -1.992  -1.992
  589    HA   SER  75           HA       SER  75 -26.762  -0.795  -0.795
  590   1HB   SER  75           HB2      SER  75 -26.352   0.077   0.077
  591   2HB   SER  75           HB1      SER  75 -26.099   1.575   1.575
  592    HG   SER  75           HG       SER  75 -28.179   1.700   1.700
  593    H    GLN  76           HN       GLN  76 -23.576   0.692   0.692
  594    HA   GLN  76           HA       GLN  76 -24.169   2.807   2.807
  595   1HB   GLN  76           HB2      GLN  76 -21.777   1.610   1.610
  596   2HB   GLN  76           HB1      GLN  76 -21.540   2.635   2.635
  597   1HG   GLN  76           HG2      GLN  76 -21.603   4.367   4.367
  598   2HG   GLN  76           HG1      GLN  76 -23.354   4.096   4.096
  599   1HE2  GLN  76          HE22      GLN  76 -23.459   2.904   2.904
  600   2HE2  GLN  76          HE21      GLN  76 -24.333   3.306   3.306
  601    HA   PRO  77           HA       PRO  77 -22.034  -0.266  -0.266
  602   1HB   PRO  77           HB2      PRO  77 -21.811  -2.916  -2.916
  603   2HB   PRO  77           HB1      PRO  77 -20.548  -1.672  -1.672
  604   1HG   PRO  77           HG2      PRO  77 -22.599  -2.801  -2.801
  605   2HG   PRO  77           HG1      PRO  77 -20.938  -2.306  -2.306
  606   1HD   PRO  77           HD2      PRO  77 -23.212  -0.939  -0.939
  607   2HD   PRO  77           HD1      PRO  77 -21.599  -0.182  -0.182
  608    H    ARG  78           HN       ARG  78 -24.892  -0.911  -0.911
  609    HA   ARG  78           HA       ARG  78 -26.206  -1.962  -1.962
  610   1HB   ARG  78           HB2      ARG  78 -27.100  -3.890  -3.890
  611   2HB   ARG  78           HB1      ARG  78 -25.323  -3.907  -3.907
  612   1HG   ARG  78           HG2      ARG  78 -25.368  -2.758  -2.758
  613   2HG   ARG  78           HG1      ARG  78 -27.103  -2.974  -2.974
  614   1HD   ARG  78           HD2      ARG  78 -26.618  -4.923  -4.923
  615   2HD   ARG  78           HD1      ARG  78 -26.359  -5.534  -5.534
  616    HE   ARG  78           HE       ARG  78 -23.952  -4.278  -4.278
  617   1HH1  ARG  78          HH21      ARG  78 -24.100  -5.196  -5.196
  618   2HH1  ARG  78          HH22      ARG  78 -23.614  -6.858  -6.858
  619   1HH2  ARG  78          HH11      ARG  78 -24.122  -7.161  -7.161
  620   2HH2  ARG  78          HH12      ARG  78 -23.627  -7.973  -7.973
  621    H    GLY  79           HN       GLY  79 -26.465   0.574   0.574
  622   1HA   GLY  79           HA2      GLY  79 -29.393   0.476   0.476
  623   2HA   GLY  79           HA1      GLY  79 -28.415   0.943   0.943
  624    H    ASP  80           HN       ASP  80 -27.642   3.025   3.025
  625    HA   ASP  80           HA       ASP  80 -28.741   4.995   4.995
  626   1HB   ASP  80           HB2      ASP  80 -28.533   5.462   5.462
  627   2HB   ASP  80           HB1      ASP  80 -26.793   5.106   5.106
  628    HA   PRO  81           HA       PRO  81 -25.294   4.942   4.942
  629   1HB   PRO  81           HB2      PRO  81 -25.897   7.240   7.240
  630   2HB   PRO  81           HB1      PRO  81 -26.763   5.717   5.717
  631   1HG   PRO  81           HG2      PRO  81 -27.538   8.101   8.101
  632   2HG   PRO  81           HG1      PRO  81 -28.536   7.082   7.082
  633   1HD   PRO  81           HD2      PRO  81 -28.495   6.873   6.873
  634   2HD   PRO  81           HD1      PRO  81 -28.850   5.500   5.500
  635    H    THR  82           HN       THR  82 -23.779   5.362   5.362
  636    HA   THR  82           HA       THR  82 -23.256   8.033   8.033
  637    HB   THR  82           HB       THR  82 -21.175   6.876   6.876
  638    HG1  THR  82           HG1      THR  82 -20.626   5.229   5.229
  639   1HG2  THR  82          HG22      THR  82 -23.765   6.668   6.668
  640   2HG2  THR  82          HG21      THR  82 -23.354   4.967   4.967
  641   3HG2  THR  82          HG23      THR  82 -22.399   5.973   5.973
  642    H    GLY  83           HN       GLY  83 -21.438   5.933   5.933
  643   1HA   GLY  83           HA2      GLY  83 -20.852   7.739   7.739
  644   2HA   GLY  83           HA1      GLY  83 -19.677   8.119   8.119
  645    HA   PRO  84           HA       PRO  84 -17.449   4.670   4.670
  646   1HB   PRO  84           HB2      PRO  84 -15.288   4.907   4.907
  647   2HB   PRO  84           HB1      PRO  84 -15.631   6.032   6.032
  648   1HG   PRO  84           HG2      PRO  84 -15.825   6.499   6.499
  649   2HG   PRO  84           HG1      PRO  84 -15.938   7.679   7.679
  650   1HD   PRO  84           HD2      PRO  84 -17.962   6.263   6.263
  651   2HD   PRO  84           HD1      PRO  84 -18.183   7.817   7.817
  652    H    LYS  85           HN       LYS  85 -18.944   4.555   4.555
  653    HA   LYS  85           HA       LYS  85 -17.667   2.026   2.026
  654   1HB   LYS  85           HB2      LYS  85 -20.090   3.427   3.427
  655   2HB   LYS  85           HB1      LYS  85 -18.959   2.326   2.326
  656   1HG   LYS  85           HG2      LYS  85 -18.444   5.155   5.155
  657   2HG   LYS  85           HG1      LYS  85 -18.381   4.520   4.520
  658   1HD   LYS  85           HD2      LYS  85 -16.426   3.111   3.111
  659   2HD   LYS  85           HD1      LYS  85 -16.532   3.788   3.788
  660   1HE   LYS  85           HE2      LYS  85 -16.086   5.979   5.979
  661   2HE   LYS  85           HE1      LYS  85 -16.093   5.506   5.506
  662   1HZ   LYS  85           HZ3      LYS  85 -14.311   4.301   4.301
  663   2HZ   LYS  85           HZ2      LYS  85 -13.809   5.528   5.528
  664   3HZ   LYS  85           HZ1      LYS  85 -14.262   4.009   4.009
  665    H    GLU  86           HN       GLU  86 -19.765   2.657   2.657
  666    HA   GLU  86           HA       GLU  86 -21.962   0.836   0.836
  667   1HB   GLU  86           HB2      GLU  86 -20.847   2.149   2.149
  668   2HB   GLU  86           HB1      GLU  86 -22.412   1.285   1.285
  669   1HG   GLU  86           HG2      GLU  86 -23.080   2.872   2.872
  670   2HG   GLU  86           HG1      GLU  86 -21.541   3.743   3.743

  Start of MODEL    9
    1   1H    LEU   1           HT1      LEU   1 -24.963  20.935  20.935
    2   2H    LEU   1           HT3      LEU   1 -23.857  21.511  21.511
    3   3H    LEU   1           HT2      LEU   1 -25.443  21.127  21.127
    4    HA   LEU   1           HA       LEU   1 -24.093  19.332  19.332
    5   1HB   LEU   1           HB2      LEU   1 -22.488  18.303  18.303
    6   2HB   LEU   1           HB1      LEU   1 -22.215  20.050  20.050
    7    HG   LEU   1           HG       LEU   1 -24.065  19.715  19.715
    8   1HD1  LEU   1          HD12      LEU   1 -22.675  17.244  17.244
    9   2HD1  LEU   1          HD11      LEU   1 -22.174  17.989  17.989
   10   3HD1  LEU   1          HD13      LEU   1 -23.883  17.688  17.688
   11   1HD2  LEU   1          HD23      LEU   1 -21.466  20.770  20.770
   12   2HD2  LEU   1          HD22      LEU   1 -22.605  21.125  21.125
   13   3HD2  LEU   1          HD21      LEU   1 -21.434  19.822  19.822
   14    H    ASP   2           HN       ASP   2 -24.283  16.935  16.935
   15    HA   ASP   2           HA       ASP   2 -25.802  15.197  15.197
   16   1HB   ASP   2           HB2      ASP   2 -24.798  16.265  16.265
   17   2HB   ASP   2           HB1      ASP   2 -26.522  16.592  16.592
   18    HA   PRO   3           HA       PRO   3 -29.619  17.685  17.685
   19   1HB   PRO   3           HB2      PRO   3 -29.667  17.643  17.643
   20   2HB   PRO   3           HB1      PRO   3 -28.820  18.874  18.874
   21   1HG   PRO   3           HG2      PRO   3 -27.703  16.654  16.654
   22   2HG   PRO   3           HG1      PRO   3 -26.934  18.142  18.142
   23   1HD   PRO   3           HD2      PRO   3 -26.944  15.477  15.477
   24   2HD   PRO   3           HD1      PRO   3 -25.858  16.811  16.811
   25    H    VAL   4           HN       VAL   4 -29.396  15.637  15.637
   26    HA   VAL   4           HA       VAL   4 -31.651  13.964  13.964
   27    HB   VAL   4           HB       VAL   4 -29.625  14.060  14.060
   28   1HG1  VAL   4          HG13      VAL   4 -31.775  11.984  11.984
   29   2HG1  VAL   4          HG12      VAL   4 -31.233  12.358  12.358
   30   3HG1  VAL   4          HG11      VAL   4 -30.090  11.720  11.720
   31   1HG2  VAL   4          HG21      VAL   4 -32.612  14.529  14.529
   32   2HG2  VAL   4          HG23      VAL   4 -31.358  15.752  15.752
   33   3HG2  VAL   4          HG22      VAL   4 -31.659  14.572  14.572
   34    H    ASP   5           HN       ASP   5 -28.271  13.267  13.267
   35    HA   ASP   5           HA       ASP   5 -27.950  11.484  11.484
   36   1HB   ASP   5           HB2      ASP   5 -28.032  10.671  10.671
   37   2HB   ASP   5           HB1      ASP   5 -26.926   9.777   9.777
   38    HA   PRO   6           HA       PRO   6 -23.824  13.044  13.044
   39   1HB   PRO   6           HB2      PRO   6 -23.144  12.974  12.974
   40   2HB   PRO   6           HB1      PRO   6 -23.098  11.521  11.521
   41   1HG   PRO   6           HG2      PRO   6 -24.964  12.186  12.186
   42   2HG   PRO   6           HG1      PRO   6 -24.662  10.618  10.618
   43   1HD   PRO   6           HD2      PRO   6 -26.753  12.560  12.560
   44   2HD   PRO   6           HD1      PRO   6 -26.560  10.843  10.843
   45    H    ASN   7           HN       ASN   7 -22.845  14.974  14.974
   46    HA   ASN   7           HA       ASN   7 -24.755  17.148  17.148
   47   1HB   ASN   7           HB2      ASN   7 -22.013  16.799  16.799
   48   2HB   ASN   7           HB1      ASN   7 -22.890  18.335  18.335
   49   1HD2  ASN   7          HD22      ASN   7 -21.478  17.202  17.202
   50   2HD2  ASN   7          HD21      ASN   7 -21.554  16.059  16.059
   51    H    ILE   8           HN       ILE   8 -23.383  15.571  15.571
   52    HA   ILE   8           HA       ILE   8 -25.850  16.418  16.418
   53    HB   ILE   8           HB       ILE   8 -24.519  17.147  17.147
   54   1HG1  ILE   8          HG12      ILE   8 -22.798  15.283  15.283
   55   2HG1  ILE   8          HG11      ILE   8 -22.158  16.860  16.860
   56   1HG2  ILE   8          HG21      ILE   8 -23.393  18.115  18.115
   57   2HG2  ILE   8          HG23      ILE   8 -22.992  18.858  18.858
   58   3HG2  ILE   8          HG22      ILE   8 -24.659  18.857  18.857
   59   1HD1  ILE   8          HD11      ILE   8 -21.917  17.046  17.046
   60   2HD1  ILE   8          HD13      ILE   8 -21.858  15.290  15.290
   61   3HD1  ILE   8          HD12      ILE   8 -20.680  16.284  16.284
   62    H    GLU   9           HN       GLU   9 -24.432  13.782  13.782
   63    HA   GLU   9           HA       GLU   9 -24.293  11.516  11.516
   64   1HB   GLU   9           HB2      GLU   9 -26.453  12.579  12.579
   65   2HB   GLU   9           HB1      GLU   9 -26.148  10.877  10.877
   66   1HG   GLU   9           HG2      GLU   9 -26.676  11.073  11.073
   67   2HG   GLU   9           HG1      GLU   9 -26.774  12.846  12.846
   68    HA   PRO  10           HA       PRO  10 -21.902  12.622  12.622
   69   1HB   PRO  10           HB2      PRO  10 -19.464  12.536  12.536
   70   2HB   PRO  10           HB1      PRO  10 -20.378  14.098  14.098
   71   1HG   PRO  10           HG2      PRO  10 -19.816  12.211  12.211
   72   2HG   PRO  10           HG1      PRO  10 -20.087  13.994  13.994
   73   1HD   PRO  10           HD2      PRO  10 -21.789  11.859  11.859
   74   2HD   PRO  10           HD1      PRO  10 -22.302  13.548  13.548
   75    H    TRP  11           HN       TRP  11 -22.792  10.026  10.026
   76    HA   TRP  11           HA       TRP  11 -20.310   8.380   8.380
   77   1HB   TRP  11           HB2      TRP  11 -23.122   7.794   7.794
   78   2HB   TRP  11           HB1      TRP  11 -21.830   6.575   6.575
   79    HD1  TRP  11           HD1      TRP  11 -22.685   9.782   9.782
   80    HE1  TRP  11           HE1      TRP  11 -21.324   9.777   9.777
   81    HE3  TRP  11           HE3      TRP  11 -19.812   5.628   5.628
   82    HZ2  TRP  11           HZ2      TRP  11 -19.290   8.205   8.205
   83    HZ3  TRP  11           HZ3      TRP  11 -18.180   4.907   4.907
   84    HH2  TRP  11           HH2      TRP  11 -17.916   6.187   6.187
   85    H    ASN  12           HN       ASN  12 -21.877   9.858   9.858
   86    HA   ASN  12           HA       ASN  12 -22.736   7.540   7.540
   87   1HB   ASN  12           HB2      ASN  12 -23.866   9.557   9.557
   88   2HB   ASN  12           HB1      ASN  12 -24.549   8.964   8.964
   89   1HD2  ASN  12          HD22      ASN  12 -23.732  11.875  11.875
   90   2HD2  ASN  12          HD21      ASN  12 -24.080  10.216  10.216
   91    H    HIS  13           HN       HIS  13 -21.276   6.955   6.955
   92    HA   HIS  13           HA       HIS  13 -19.402   9.016   9.016
   93   1HB   HIS  13           HB2      HIS  13 -19.192   6.149   6.149
   94   2HB   HIS  13           HB1      HIS  13 -17.978   6.825   6.825
   95    HD1  HIS  13           HD1      HIS  13 -16.997   5.929   5.929
   96    HD2  HIS  13           HD2      HIS  13 -18.412   9.786   9.786
   97    HE1  HIS  13           HE1      HIS  13 -16.010   7.397   7.397
   98    HA   PRO  14           HA       PRO  14 -21.620   7.892   7.892
   99   1HB   PRO  14           HB2      PRO  14 -20.145   9.713   9.713
  100   2HB   PRO  14           HB1      PRO  14 -21.627  10.121  10.121
  101   1HG   PRO  14           HG2      PRO  14 -18.701  10.372  10.372
  102   2HG   PRO  14           HG1      PRO  14 -19.977  11.548  11.548
  103   1HD   PRO  14           HD2      PRO  14 -18.961  10.086  10.086
  104   2HD   PRO  14           HD1      PRO  14 -20.701  10.484  10.484
  105    H    GLY  15           HN       GLY  15 -18.169   7.921   7.921
  106   1HA   GLY  15           HA2      GLY  15 -16.614   6.270   6.270
  107   2HA   GLY  15           HA1      GLY  15 -17.836   5.668   5.668
  108    H    SER  16           HN       SER  16 -18.000   8.866   8.866
  109    HA   SER  16           HA       SER  16 -15.872   8.896   8.896
  110   1HB   SER  16           HB2      SER  16 -18.750   9.415   9.415
  111   2HB   SER  16           HB1      SER  16 -17.863  10.735  10.735
  112    HG   SER  16           HG       SER  16 -17.144   9.395   9.395
  113    H    GLN  17           HN       GLN  17 -16.195   9.996   9.996
  114    HA   GLN  17           HA       GLN  17 -14.887  12.590  12.590
  115   1HB   GLN  17           HB2      GLN  17 -17.514  12.258  12.258
  116   2HB   GLN  17           HB1      GLN  17 -16.293  13.568  13.568
  117   1HG   GLN  17           HG2      GLN  17 -16.957  14.633  14.633
  118   2HG   GLN  17           HG1      GLN  17 -16.914  13.234  13.234
  119   1HE2  GLN  17          HE22      GLN  17 -20.410  12.573  12.573
  120   2HE2  GLN  17          HE21      GLN  17 -18.915  11.917  11.917
  121    HA   PRO  18           HA       PRO  18 -13.911  11.520  11.520
  122   1HB   PRO  18           HB2      PRO  18 -15.182   9.353   9.353
  123   2HB   PRO  18           HB1      PRO  18 -15.805  11.023  11.023
  124   1HG   PRO  18           HG2      PRO  18 -16.510   8.841   8.841
  125   2HG   PRO  18           HG1      PRO  18 -17.591   9.881   9.881
  126   1HD   PRO  18           HD2      PRO  18 -17.088  10.336  10.336
  127   2HD   PRO  18           HD1      PRO  18 -17.213  11.702  11.702
  128    H    LYS  19           HN       LYS  19 -14.484   9.163   9.163
  129    HA   LYS  19           HA       LYS  19 -12.212   7.471   7.471
  130   1HB   LYS  19           HB2      LYS  19 -14.247   6.933   6.933
  131   2HB   LYS  19           HB1      LYS  19 -13.241   5.722   5.722
  132   1HG   LYS  19           HG2      LYS  19 -15.410   7.405   7.405
  133   2HG   LYS  19           HG1      LYS  19 -15.548   5.649   5.649
  134   1HD   LYS  19           HD2      LYS  19 -13.593   7.009   7.009
  135   2HD   LYS  19           HD1      LYS  19 -15.005   6.073   6.073
  136   1HE   LYS  19           HE2      LYS  19 -12.769   4.868   4.868
  137   2HE   LYS  19           HE1      LYS  19 -12.755   4.838   4.838
  138   1HZ   LYS  19           HZ1      LYS  19 -15.038   3.917   3.917
  139   2HZ   LYS  19           HZ3      LYS  19 -14.909   3.795   3.795
  140   3HZ   LYS  19           HZ2      LYS  19 -13.881   2.883   2.883
  141    H    THR  20           HN       THR  20 -13.095   9.814   9.814
  142    HA   THR  20           HA       THR  20 -10.515   9.286   9.286
  143    HB   THR  20           HB       THR  20 -12.235   7.893   7.893
  144    HG1  THR  20           HG1      THR  20 -11.550  10.019  10.019
  145   1HG2  THR  20          HG23      THR  20 -14.129   9.479   9.479
  146   2HG2  THR  20          HG22      THR  20 -13.507  10.516  10.516
  147   3HG2  THR  20          HG21      THR  20 -14.078   8.891   8.891
  148    H    ALA  21           HN       ALA  21 -13.370  11.479  11.479
  149    HA   ALA  21           HA       ALA  21 -11.729  13.635  13.635
  150   1HB   ALA  21           HB3      ALA  21 -14.228  12.971  12.971
  151   2HB   ALA  21           HB2      ALA  21 -14.549  13.962  13.962
  152   3HB   ALA  21           HB1      ALA  21 -13.762  14.669  14.669
  153    H    SER  22           HN       SER  22 -11.590  12.500  12.500
  154    HA   SER  22           HA       SER  22 -10.690  14.824  14.824
  155   1HB   SER  22           HB2      SER  22 -13.222  15.365  15.365
  156   2HB   SER  22           HB1      SER  22 -13.411  13.879  13.879
  157    HG   SER  22           HG       SER  22 -13.193  15.231  15.231
  158    H    ASN  23           HN       ASN  23  -9.545  12.434  12.434
  159    HA   ASN  23           HA       ASN  23 -10.334  10.528  10.528
  160   1HB   ASN  23           HB2      ASN  23  -8.707  10.585  10.585
  161   2HB   ASN  23           HB1      ASN  23  -7.535  10.538  10.538
  162   1HD2  ASN  23          HD22      ASN  23 -10.266   7.476   7.476
  163   2HD2  ASN  23          HD21      ASN  23 -10.808   9.091   9.091
  164    H    ARG  24           HN       ARG  24  -8.222   9.813   9.813
  165    HA   ARG  24           HA       ARG  24  -6.735  11.881  11.881
  166   1HB   ARG  24           HB2      ARG  24  -8.157  11.758  11.758
  167   2HB   ARG  24           HB1      ARG  24  -8.871  12.501  12.501
  168   1HG   ARG  24           HG2      ARG  24  -9.806  10.072  10.072
  169   2HG   ARG  24           HG1      ARG  24  -9.770  10.106  10.106
  170   1HD   ARG  24           HD2      ARG  24 -10.907  12.312  12.312
  171   2HD   ARG  24           HD1      ARG  24 -11.153  12.082  12.082
  172    HE   ARG  24           HE       ARG  24 -11.882   9.679   9.679
  173   1HH1  ARG  24          HH11      ARG  24 -12.933  12.707  12.707
  174   2HH1  ARG  24          HH12      ARG  24 -14.606  12.448  12.448
  175   1HH2  ARG  24          HH21      ARG  24 -14.059   9.428   9.428
  176   2HH2  ARG  24          HH22      ARG  24 -15.244  10.590  10.590
  177    H    ALA  25           HN       ALA  25  -8.364   8.992   8.992
  178    HA   ALA  25           HA       ALA  25  -7.507   6.975   6.975
  179   1HB   ALA  25           HB1      ALA  25  -6.670   7.150   7.150
  180   2HB   ALA  25           HB3      ALA  25  -5.106   7.536   7.536
  181   3HB   ALA  25           HB2      ALA  25  -5.873   5.985   5.985
  182    H    HIS  26           HN       HIS  26  -7.045   9.069   9.069
  183    HA   HIS  26           HA       HIS  26  -4.729   8.082   8.082
  184   1HB   HIS  26           HB2      HIS  26  -3.621  10.486  10.486
  185   2HB   HIS  26           HB1      HIS  26  -3.431   9.244   9.244
  186    HD1  HIS  26           HD1      HIS  26  -2.754  11.556  11.556
  187    HD2  HIS  26           HD2      HIS  26  -6.781  10.937  10.937
  188    HE1  HIS  26           HE1      HIS  26  -4.066  13.044  13.044
  189    H    ALA  27           HN       ALA  27  -6.113  11.410  11.410
  190    HA   ALA  27           HA       ALA  27  -6.465  11.470  11.470
  191   1HB   ALA  27           HB1      ALA  27  -7.855  12.963  12.963
  192   2HB   ALA  27           HB3      ALA  27  -7.879  13.453  13.453
  193   3HB   ALA  27           HB2      ALA  27  -6.360  13.446  13.446
  194    H    LYS  28           HN       LYS  28  -8.384   9.981   9.981
  195    HA   LYS  28           HA       LYS  28 -10.981   9.978   9.978
  196   1HB   LYS  28           HB2      LYS  28  -9.482   8.109   8.109
  197   2HB   LYS  28           HB1      LYS  28 -11.265   7.994   7.994
  198   1HG   LYS  28           HG2      LYS  28  -9.504  10.107  10.107
  199   2HG   LYS  28           HG1      LYS  28 -10.862   9.225   9.225
  200   1HD   LYS  28           HD2      LYS  28 -12.202  10.896  10.896
  201   2HD   LYS  28           HD1      LYS  28 -11.961  10.562  10.562
  202   1HE   LYS  28           HE2      LYS  28  -9.912  12.039  12.039
  203   2HE   LYS  28           HE1      LYS  28 -10.292  12.427  12.427
  204   1HZ   LYS  28           HZ1      LYS  28 -12.150  12.774  12.774
  205   2HZ   LYS  28           HZ3      LYS  28 -11.290  14.037  14.037
  206   3HZ   LYS  28           HZ2      LYS  28 -12.482  13.202  13.202
  207    H    LYS  29           HN       LYS  29  -8.099   8.086   8.086
  208    HA   LYS  29           HA       LYS  29  -9.375   6.761   6.761
  209   1HB   LYS  29           HB2      LYS  29  -9.107   4.545   4.545
  210   2HB   LYS  29           HB1      LYS  29  -9.849   5.463   5.463
  211   1HG   LYS  29           HG2      LYS  29  -6.887   4.963   4.963
  212   2HG   LYS  29           HG1      LYS  29  -7.949   4.022   4.022
  213   1HD   LYS  29           HD2      LYS  29  -8.546   6.472   6.472
  214   2HD   LYS  29           HD1      LYS  29  -6.963   6.854   6.854
  215   1HE   LYS  29           HE2      LYS  29  -7.457   4.730   4.730
  216   2HE   LYS  29           HE1      LYS  29  -6.688   6.335   6.335
  217   1HZ   LYS  29           HZ1      LYS  29  -5.138   5.756   5.756
  218   2HZ   LYS  29           HZ3      LYS  29  -5.672   4.148   4.148
  219   3HZ   LYS  29           HZ2      LYS  29  -4.914   4.863   4.863
  220    H    SER  30           HN       SER  30  -7.063   8.625   8.625
  221    HA   SER  30           HA       SER  30  -4.542   7.359   7.359
  222   1HB   SER  30           HB2      SER  30  -3.818   9.608   9.608
  223   2HB   SER  30           HB1      SER  30  -4.999   9.683   9.683
  224    HG   SER  30           HG       SER  30  -6.381  10.611  10.611
  225    H    ALA  31           HN       ALA  31  -6.265   8.908   8.908
  226    HA   ALA  31           HA       ALA  31  -5.853   6.662   6.662
  227   1HB   ALA  31           HB3      ALA  31  -3.864   8.929   8.929
  228   2HB   ALA  31           HB2      ALA  31  -4.128   8.048   8.048
  229   3HB   ALA  31           HB1      ALA  31  -3.553   7.195   7.195
  230    H    TYR  32           HN       TYR  32  -8.210   7.713   7.713
  231    HA   TYR  32           HA       TYR  32  -8.510   9.305   9.305
  232   1HB   TYR  32           HB2      TYR  32  -9.628  11.184  11.184
  233   2HB   TYR  32           HB1      TYR  32  -8.078  10.866  10.866
  234    HD1  TYR  32           HD1      TYR  32  -8.476   8.846   8.846
  235    HD2  TYR  32           HD2      TYR  32 -11.303  11.757  11.757
  236    HE1  TYR  32           HE1      TYR  32  -9.737   8.666   8.666
  237    HE2  TYR  32           HE2      TYR  32 -12.558  11.575  11.575
  238    HH   TYR  32           HH       TYR  32 -11.618  10.701  10.701
  239    H    HIS  33           HN       HIS  33  -9.158   6.634   6.634
  240    HA   HIS  33           HA       HIS  33 -10.908   5.096   5.096
  241   1HB   HIS  33           HB2      HIS  33 -12.425   7.645   7.645
  242   2HB   HIS  33           HB1      HIS  33 -12.957   5.974   5.974
  243    HD1  HIS  33           HD1      HIS  33 -11.865   4.610   4.610
  244    HD2  HIS  33           HD2      HIS  33 -10.257   8.435   8.435
  245    HE1  HIS  33           HE1      HIS  33 -10.414   4.992   4.992
  246    H    SER  34           HN       SER  34 -10.698   7.234   7.234
  247    HA   SER  34           HA       SER  34 -11.756   7.500   7.500
  248   1HB   SER  34           HB2      SER  34 -12.070   4.694   4.694
  249   2HB   SER  34           HB1      SER  34 -12.988   5.162   5.162
  250    HG   SER  34           HG       SER  34 -10.319   4.759   4.759
  251    H    GLN  35           HN       GLN  35 -13.291   9.136   9.136
  252    HA   GLN  35           HA       GLN  35 -16.025   8.144   8.144
  253   1HB   GLN  35           HB2      GLN  35 -14.721  10.882  10.882
  254   2HB   GLN  35           HB1      GLN  35 -16.370  10.521  10.521
  255   1HG   GLN  35           HG2      GLN  35 -13.746   9.557   9.557
  256   2HG   GLN  35           HG1      GLN  35 -15.040  10.482  10.482
  257   1HE2  GLN  35          HE22      GLN  35 -15.166   6.521   6.521
  258   2HE2  GLN  35          HE21      GLN  35 -13.788   7.387   7.387
  259    H    VAL  36           HN       VAL  36 -14.293   9.951   9.951
  260    HA   VAL  36           HA       VAL  36 -14.973  10.680  10.680
  261    HB   VAL  36           HB       VAL  36 -17.296   8.786   8.786
  262   1HG1  VAL  36          HG11      VAL  36 -16.838  10.387  10.387
  263   2HG1  VAL  36          HG13      VAL  36 -16.040   8.892   8.892
  264   3HG1  VAL  36          HG12      VAL  36 -17.743   8.875   8.875
  265   1HG2  VAL  36          HG22      VAL  36 -14.479   8.137   8.137
  266   2HG2  VAL  36          HG21      VAL  36 -15.370   7.463   7.463
  267   3HG2  VAL  36          HG23      VAL  36 -15.856   7.073   7.073
  268    H    ALA  37           HN       ALA  37 -15.518  12.628  12.628
  269    HA   ALA  37           HA       ALA  37 -16.945  14.424  14.424
  270   1HB   ALA  37           HB3      ALA  37 -17.593  13.465  13.465
  271   2HB   ALA  37           HB2      ALA  37 -18.645  14.694  14.694
  272   3HB   ALA  37           HB1      ALA  37 -16.920  15.010  15.010
  273    H    PHE  38           HN       PHE  38 -17.756  12.491  12.491
  274    HA   PHE  38           HA       PHE  38 -20.573  11.775  11.775
  275   1HB   PHE  38           HB2      PHE  38 -20.273  10.293  10.293
  276   2HB   PHE  38           HB1      PHE  38 -18.767  10.247  10.247
  277    HD1  PHE  38           HD1      PHE  38 -17.743  12.995  12.995
  278    HD2  PHE  38           HD2      PHE  38 -19.493   9.488   9.488
  279    HE1  PHE  38           HE1      PHE  38 -16.573  13.470  13.470
  280    HE2  PHE  38           HE2      PHE  38 -18.320   9.980   9.980
  281    HZ   PHE  38           HZ       PHE  38 -16.856  11.967  11.967
  282    H    ILE  39           HN       ILE  39 -21.057  11.871  11.871
  283    HA   ILE  39           HA       ILE  39 -22.633  14.223  14.223
  284    HB   ILE  39           HB       ILE  39 -22.764  13.693  13.693
  285   1HG1  ILE  39          HG12      ILE  39 -21.242  11.188  11.188
  286   2HG1  ILE  39          HG11      ILE  39 -20.249  12.569  12.569
  287   1HG2  ILE  39          HG21      ILE  39 -23.586  12.187  12.187
  288   2HG2  ILE  39          HG23      ILE  39 -23.193  11.049  11.049
  289   3HG2  ILE  39          HG22      ILE  39 -24.386  12.318  12.318
  290   1HD1  ILE  39          HD12      ILE  39 -22.595  11.777  11.777
  291   2HD1  ILE  39          HD11      ILE  39 -20.943  11.225  11.225
  292   3HD1  ILE  39          HD13      ILE  39 -21.328  12.943  12.943
  293    H    THR  40           HN       THR  40 -19.339  13.796  13.796
  294    HA   THR  40           HA       THR  40 -19.428  16.673  16.673
  295    HB   THR  40           HB       THR  40 -17.388  14.517  14.517
  296    HG1  THR  40           HG1      THR  40 -19.678  15.362  15.362
  297   1HG2  THR  40          HG23      THR  40 -17.358  17.280  17.280
  298   2HG2  THR  40          HG22      THR  40 -17.855  16.595  16.595
  299   3HG2  THR  40          HG21      THR  40 -16.341  16.082  16.082
  300    H    LYS  41           HN       LYS  41 -17.980  18.160  18.160
  301    HA   LYS  41           HA       LYS  41 -16.785  17.525  17.525
  302   1HB   LYS  41           HB2      LYS  41 -16.767  19.926  19.926
  303   2HB   LYS  41           HB1      LYS  41 -16.011  19.927  19.927
  304   1HG   LYS  41           HG2      LYS  41 -18.893  19.280  19.280
  305   2HG   LYS  41           HG1      LYS  41 -18.342  20.810  20.810
  306   1HD   LYS  41           HD2      LYS  41 -18.905  19.674  19.674
  307   2HD   LYS  41           HD1      LYS  41 -17.229  19.169  19.169
  308   1HE   LYS  41           HE2      LYS  41 -18.558  17.231  17.231
  309   2HE   LYS  41           HE1      LYS  41 -19.723  17.568  17.568
  310   1HZ   LYS  41           HZ3      LYS  41 -16.816  17.216  17.216
  311   2HZ   LYS  41           HZ2      LYS  41 -17.850  15.876  15.876
  312   3HZ   LYS  41           HZ1      LYS  41 -18.090  17.023  17.023
  313    H    GLY  42           HN       GLY  42 -15.662  17.123  17.123
  314   1HA   GLY  42           HA2      GLY  42 -12.832  17.558  17.558
  315   2HA   GLY  42           HA1      GLY  42 -13.496  16.752  16.752
  316    H    LEU  43           HN       LEU  43 -15.039  15.226  15.226
  317    HA   LEU  43           HA       LEU  43 -14.756  13.210  13.210
  318   1HB   LEU  43           HB2      LEU  43 -11.772  13.773  13.773
  319   2HB   LEU  43           HB1      LEU  43 -12.684  12.821  12.821
  320    HG   LEU  43           HG       LEU  43 -13.052  15.793  15.793
  321   1HD1  LEU  43          HD11      LEU  43 -10.863  14.417  14.417
  322   2HD1  LEU  43          HD13      LEU  43 -11.784  14.757  14.757
  323   3HD1  LEU  43          HD12      LEU  43 -11.295  16.079  16.079
  324   1HD2  LEU  43          HD21      LEU  43 -15.022  14.480  14.480
  325   2HD2  LEU  43          HD23      LEU  43 -14.388  15.577  15.577
  326   3HD2  LEU  43          HD22      LEU  43 -14.029  13.852  13.852
  327    H    GLY  44           HN       GLY  44 -14.993  13.137  13.137
  328   1HA   GLY  44           HA2      GLY  44 -14.728  11.604  11.604
  329   2HA   GLY  44           HA1      GLY  44 -14.344  10.440  10.440
  330    H    ILE  45           HN       ILE  45 -12.377  13.309  13.309
  331    HA   ILE  45           HA       ILE  45  -9.984  11.730  11.730
  332    HB   ILE  45           HB       ILE  45  -9.015  14.037  14.037
  333   1HG1  ILE  45          HG12      ILE  45 -10.966  15.704  15.704
  334   2HG1  ILE  45          HG11      ILE  45 -11.891  14.683  14.683
  335   1HG2  ILE  45          HG22      ILE  45 -10.451  13.342  13.342
  336   2HG2  ILE  45          HG21      ILE  45  -9.618  14.889  14.889
  337   3HG2  ILE  45          HG23      ILE  45  -8.719  13.384  13.384
  338   1HD1  ILE  45          HD12      ILE  45  -9.733  15.259  15.259
  339   2HD1  ILE  45          HD11      ILE  45  -9.659  16.641  16.641
  340   3HD1  ILE  45          HD13      ILE  45 -11.100  16.367  16.367
  341    H    SER  46           HN       SER  46 -11.637  13.877  13.877
  342    HA   SER  46           HA       SER  46 -11.324  11.995  11.995
  343   1HB   SER  46           HB2      SER  46  -8.912  12.882  12.882
  344   2HB   SER  46           HB1      SER  46  -9.448  14.347  14.347
  345    HG   SER  46           HG       SER  46  -9.149  11.753  11.753
  346    H    TYR  47           HN       TYR  47 -13.276  14.095  14.095
  347    HA   TYR  47           HA       TYR  47 -13.430  16.181  16.181
  348   1HB   TYR  47           HB2      TYR  47 -15.491  16.773  16.773
  349   2HB   TYR  47           HB1      TYR  47 -14.224  16.390  16.390
  350    HD1  TYR  47           HD1      TYR  47 -17.176  14.908  14.908
  351    HD2  TYR  47           HD2      TYR  47 -14.470  14.689  14.689
  352    HE1  TYR  47           HE1      TYR  47 -18.596  13.174  13.174
  353    HE2  TYR  47           HE2      TYR  47 -15.875  12.963  12.963
  354    HH   TYR  47           HH       TYR  47 -18.839  12.425  12.425
  355    H    GLY  48           HN       GLY  48 -14.359  12.877  12.877
  356   1HA   GLY  48           HA2      GLY  48 -15.167  11.852  11.852
  357   2HA   GLY  48           HA1      GLY  48 -16.178  13.273  13.273
  358    H    ARG  49           HN       ARG  49 -15.629  10.679  10.679
  359    HA   ARG  49           HA       ARG  49 -18.164  10.999  10.999
  360   1HB   ARG  49           HB2      ARG  49 -16.199   8.718   8.718
  361   2HB   ARG  49           HB1      ARG  49 -17.493   8.901   8.901
  362   1HG   ARG  49           HG2      ARG  49 -16.387  10.829  10.829
  363   2HG   ARG  49           HG1      ARG  49 -15.200  10.855  10.855
  364   1HD   ARG  49           HD2      ARG  49 -14.136   9.827   9.827
  365   2HD   ARG  49           HD1      ARG  49 -14.596   8.479   8.479
  366    HE   ARG  49           HE       ARG  49 -16.493   9.392   9.392
  367   1HH1  ARG  49          HH21      ARG  49 -17.908   7.357   7.357
  368   2HH1  ARG  49          HH22      ARG  49 -17.068   5.893   5.893
  369   1HH2  ARG  49          HH11      ARG  49 -13.916   7.342   7.342
  370   2HH2  ARG  49          HH12      ARG  49 -14.803   5.884   5.884
  371    H    LYS  50           HN       LYS  50 -19.846   9.380   9.380
  372    HA   LYS  50           HA       LYS  50 -20.192   8.014   8.014
  373   1HB   LYS  50           HB2      LYS  50 -22.631   8.507   8.507
  374   2HB   LYS  50           HB1      LYS  50 -21.644   9.954   9.954
  375   1HG   LYS  50           HG2      LYS  50 -22.118   8.844   8.844
  376   2HG   LYS  50           HG1      LYS  50 -23.424   9.693   9.693
  377   1HD   LYS  50           HD2      LYS  50 -20.832  11.098  11.098
  378   2HD   LYS  50           HD1      LYS  50 -21.306  10.791  10.791
  379   1HE   LYS  50           HE2      LYS  50 -22.167  12.883  12.883
  380   2HE   LYS  50           HE1      LYS  50 -23.587  11.798  11.798
  381   1HZ   LYS  50           HZ1      LYS  50 -21.943  12.355  12.355
  382   2HZ   LYS  50           HZ3      LYS  50 -23.401  13.155  13.155
  383   3HZ   LYS  50           HZ2      LYS  50 -23.397  11.479  11.479
  384    H    LYS  51           HN       LYS  51 -20.464   7.867   7.867
  385    HA   LYS  51           HA       LYS  51 -20.109   5.219   5.219
  386   1HB   LYS  51           HB2      LYS  51 -22.548   4.561   4.561
  387   2HB   LYS  51           HB1      LYS  51 -21.864   4.266   4.266
  388   1HG   LYS  51           HG2      LYS  51 -23.471   5.831   5.831
  389   2HG   LYS  51           HG1      LYS  51 -23.068   6.985   6.985
  390   1HD   LYS  51           HD2      LYS  51 -24.407   4.833   4.833
  391   2HD   LYS  51           HD1      LYS  51 -25.294   5.180   5.180
  392   1HE   LYS  51           HE2      LYS  51 -25.165   7.648   7.648
  393   2HE   LYS  51           HE1      LYS  51 -24.570   7.070   7.070
  394   1HZ   LYS  51           HZ1      LYS  51 -27.060   6.043   6.043
  395   2HZ   LYS  51           HZ3      LYS  51 -27.083   7.265   7.265
  396   3HZ   LYS  51           HZ2      LYS  51 -26.529   5.712   5.712
  397    H    ARG  52           HN       ARG  52 -22.003   4.532   4.532
  398    HA   ARG  52           HA       ARG  52 -21.709   6.644   6.644
  399   1HB   ARG  52           HB2      ARG  52 -22.831   3.840   3.840
  400   2HB   ARG  52           HB1      ARG  52 -22.922   4.821   4.821
  401   1HG   ARG  52           HG2      ARG  52 -20.792   4.133   4.133
  402   2HG   ARG  52           HG1      ARG  52 -20.336   5.143   5.143
  403   1HD   ARG  52           HD2      ARG  52 -19.389   2.991   2.991
  404   2HD   ARG  52           HD1      ARG  52 -20.495   3.512   3.512
  405    HE   ARG  52           HE       ARG  52 -22.220   1.992   1.992
  406   1HH1  ARG  52          HH21      ARG  52 -22.498   1.317   1.317
  407   2HH1  ARG  52          HH22      ARG  52 -21.380   0.067   0.067
  408   1HH2  ARG  52          HH11      ARG  52 -19.319   0.587   0.587
  409   2HH2  ARG  52          HH12      ARG  52 -19.577  -0.347  -0.347
  410    H    ARG  53           HN       ARG  53 -23.130   8.334   8.334
  411    HA   ARG  53           HA       ARG  53 -25.820   7.983   7.983
  412   1HB   ARG  53           HB2      ARG  53 -24.219  10.048  10.048
  413   2HB   ARG  53           HB1      ARG  53 -24.857  10.285  10.285
  414   1HG   ARG  53           HG2      ARG  53 -26.881   9.795   9.795
  415   2HG   ARG  53           HG1      ARG  53 -25.990  11.301  11.301
  416   1HD   ARG  53           HD2      ARG  53 -26.676  12.059  12.059
  417   2HD   ARG  53           HD1      ARG  53 -27.276  10.479  10.479
  418    HE   ARG  53           HE       ARG  53 -28.485  12.208  12.208
  419   1HH1  ARG  53          HH11      ARG  53 -28.724   9.027   9.027
  420   2HH1  ARG  53          HH12      ARG  53 -30.355   8.960   8.960
  421   1HH2  ARG  53          HH21      ARG  53 -30.563  12.373  12.373
  422   2HH2  ARG  53          HH22      ARG  53 -31.398  10.856  10.856
  423    H    GLN  54           HN       GLN  54 -24.458   7.269   7.269
  424    HA   GLN  54           HA       GLN  54 -26.524   8.028   8.028
  425   1HB   GLN  54           HB2      GLN  54 -24.796   5.549   5.549
  426   2HB   GLN  54           HB1      GLN  54 -25.394   6.688   6.688
  427   1HG   GLN  54           HG2      GLN  54 -23.427   7.817   7.817
  428   2HG   GLN  54           HG1      GLN  54 -23.781   8.248   8.248
  429   1HE2  GLN  54          HE22      GLN  54 -20.979   6.611   6.611
  430   2HE2  GLN  54          HE21      GLN  54 -21.888   8.053   8.053
  431    H    ARG  55           HN       ARG  55 -25.957   5.065   5.065
  432    HA   ARG  55           HA       ARG  55 -27.383   3.284   3.284
  433   1HB   ARG  55           HB2      ARG  55 -29.437   5.460   5.460
  434   2HB   ARG  55           HB1      ARG  55 -29.787   3.932   3.932
  435   1HG   ARG  55           HG2      ARG  55 -28.417   4.448   4.448
  436   2HG   ARG  55           HG1      ARG  55 -27.689   5.824   5.824
  437   1HD   ARG  55           HD2      ARG  55 -29.364   6.686   6.686
  438   2HD   ARG  55           HD1      ARG  55 -29.986   6.891   6.891
  439    HE   ARG  55           HE       ARG  55 -30.711   4.291   4.291
  440   1HH1  ARG  55          HH11      ARG  55 -32.202   6.799   6.799
  441   2HH1  ARG  55          HH12      ARG  55 -33.518   6.941   6.941
  442   1HH2  ARG  55          HH21      ARG  55 -32.091   4.832   4.832
  443   2HH2  ARG  55          HH22      ARG  55 -33.456   5.824   5.824
  444    H    ARG  56           HN       ARG  56 -26.503   3.696   3.696
  445    HA   ARG  56           HA       ARG  56 -28.181   1.635   1.635
  446   1HB   ARG  56           HB2      ARG  56 -29.085   3.003   3.003
  447   2HB   ARG  56           HB1      ARG  56 -29.446   3.824   3.824
  448   1HG   ARG  56           HG2      ARG  56 -27.014   4.935   4.935
  449   2HG   ARG  56           HG1      ARG  56 -27.568   4.559   4.559
  450   1HD   ARG  56           HD2      ARG  56 -29.815   5.639   5.639
  451   2HD   ARG  56           HD1      ARG  56 -28.667   6.451   6.451
  452    HE   ARG  56           HE       ARG  56 -27.744   6.434   6.434
  453   1HH1  ARG  56          HH21      ARG  56 -26.866   8.696   8.696
  454   2HH1  ARG  56          HH22      ARG  56 -27.993   9.955   9.955
  455   1HH2  ARG  56          HH11      ARG  56 -30.431   7.782   7.782
  456   2HH2  ARG  56          HH12      ARG  56 -30.017   9.436   9.436
  457    H    ARG  57           HN       ARG  57 -25.341   1.993   1.993
  458    HA   ARG  57           HA       ARG  57 -23.734   2.736   2.736
  459   1HB   ARG  57           HB2      ARG  57 -23.121   2.147   2.147
  460   2HB   ARG  57           HB1      ARG  57 -23.145   0.451   0.451
  461   1HG   ARG  57           HG2      ARG  57 -20.894   1.136   1.136
  462   2HG   ARG  57           HG1      ARG  57 -21.554   1.171   1.171
  463   1HD   ARG  57           HD2      ARG  57 -21.509   3.433   3.433
  464   2HD   ARG  57           HD1      ARG  57 -21.843   3.698   3.698
  465    HE   ARG  57           HE       ARG  57 -19.174   3.089   3.089
  466   1HH1  ARG  57          HH21      ARG  57 -19.159   1.488   1.488
  467   2HH1  ARG  57          HH22      ARG  57 -18.724   2.601   2.601
  468   1HH2  ARG  57          HH11      ARG  57 -19.475   5.424   5.424
  469   2HH2  ARG  57          HH12      ARG  57 -18.901   4.835   4.835
  470    HA   PRO  58           HA       PRO  58 -24.074  -1.852  -1.852
  471   1HB   PRO  58           HB2      PRO  58 -26.305  -3.246  -3.246
  472   2HB   PRO  58           HB1      PRO  58 -24.774  -3.270  -3.270
  473   1HG   PRO  58           HG2      PRO  58 -27.249  -1.686  -1.686
  474   2HG   PRO  58           HG1      PRO  58 -26.185  -2.528  -2.528
  475   1HD   PRO  58           HD2      PRO  58 -26.182   0.083   0.083
  476   2HD   PRO  58           HD1      PRO  58 -24.709  -0.734  -0.734
  477    H    SER  59           HN       SER  59 -26.842   0.291   0.291
  478    HA   SER  59           HA       SER  59 -28.054  -0.669  -0.669
  479   1HB   SER  59           HB2      SER  59 -28.816   1.292   1.292
  480   2HB   SER  59           HB1      SER  59 -29.730   1.162   1.162
  481    HG   SER  59           HG       SER  59 -29.552  -0.600  -0.600
  482    H    GLN  60           HN       GLN  60 -28.147   0.676   0.676
  483    HA   GLN  60           HA       GLN  60 -26.898   3.345   3.345
  484   1HB   GLN  60           HB2      GLN  60 -25.144   2.816   2.816
  485   2HB   GLN  60           HB1      GLN  60 -25.072   1.607   1.607
  486   1HG   GLN  60           HG2      GLN  60 -26.417   1.258   1.258
  487   2HG   GLN  60           HG1      GLN  60 -24.793   0.801   0.801
  488   1HE2  GLN  60          HE22      GLN  60 -26.093  -1.690  -1.690
  489   2HE2  GLN  60          HE21      GLN  60 -25.202  -0.246  -0.246
  490    H    GLY  61           HN       GLY  61 -28.194   0.859   0.859
  491   1HA   GLY  61           HA2      GLY  61 -30.004   1.097   1.097
  492   2HA   GLY  61           HA1      GLY  61 -29.950   2.878   2.878
  493    H    GLY  62           HN       GLY  62 -27.415   0.555   0.555
  494   1HA   GLY  62           HA2      GLY  62 -25.821   0.650   0.650
  495   2HA   GLY  62           HA1      GLY  62 -27.123   1.349   1.349
  496    H    GLN  63           HN       GLN  63 -26.057   2.816   2.816
  497    HA   GLN  63           HA       GLN  63 -25.585   5.305   5.305
  498   1HB   GLN  63           HB2      GLN  63 -26.743   5.102   5.102
  499   2HB   GLN  63           HB1      GLN  63 -25.116   4.579   4.579
  500   1HG   GLN  63           HG2      GLN  63 -24.579   6.629   6.629
  501   2HG   GLN  63           HG1      GLN  63 -24.543   6.860   6.860
  502   1HE2  GLN  63          HE22      GLN  63 -27.432   8.828   8.828
  503   2HE2  GLN  63          HE21      GLN  63 -26.145   8.054   8.054
  504    H    THR  64           HN       THR  64 -23.634   2.632   2.632
  505    HA   THR  64           HA       THR  64 -21.287   2.337   2.337
  506    HB   THR  64           HB       THR  64 -21.170   5.230   5.230
  507    HG1  THR  64           HG1      THR  64 -21.939   4.727   4.727
  508   1HG2  THR  64          HG23      THR  64 -19.486   2.792   2.792
  509   2HG2  THR  64          HG22      THR  64 -19.254   4.354   4.354
  510   3HG2  THR  64          HG21      THR  64 -19.023   4.197   4.197
  511    H    HIS  65           HN       HIS  65 -22.509   2.765   2.765
  512    HA   HIS  65           HA       HIS  65 -21.641   5.017   5.017
  513   1HB   HIS  65           HB2      HIS  65 -23.222   2.586   2.586
  514   2HB   HIS  65           HB1      HIS  65 -22.511   2.910   2.910
  515    HD1  HIS  65           HD1      HIS  65 -25.213   3.191   3.191
  516    HD2  HIS  65           HD2      HIS  65 -23.218   6.256   6.256
  517    HE1  HIS  65           HE1      HIS  65 -26.756   5.191   5.191
  518    H    GLN  66           HN       GLN  66 -19.503   3.008   3.008
  519    HA   GLN  66           HA       GLN  66 -17.338   2.358   2.358
  520   1HB   GLN  66           HB2      GLN  66 -18.064   4.176   4.176
  521   2HB   GLN  66           HB1      GLN  66 -16.420   3.523   3.523
  522   1HG   GLN  66           HG2      GLN  66 -16.028   5.232   5.232
  523   2HG   GLN  66           HG1      GLN  66 -17.204   4.548   4.548
  524   1HE2  GLN  66          HE22      GLN  66 -19.841   6.758   6.758
  525   2HE2  GLN  66          HE21      GLN  66 -19.540   5.240   5.240
  526    H    ASP  67           HN       ASP  67 -18.948   2.343   2.343
  527    HA   ASP  67           HA       ASP  67 -17.516  -0.031  -0.031
  528   1HB   ASP  67           HB2      ASP  67 -18.189   1.757   1.757
  529   2HB   ASP  67           HB1      ASP  67 -19.884   1.474   1.474
  530    HA   PRO  68           HA       PRO  68 -21.712  -2.240  -2.240
  531   1HB   PRO  68           HB2      PRO  68 -23.642  -1.136  -1.136
  532   2HB   PRO  68           HB1      PRO  68 -23.474  -0.803  -0.803
  533   1HG   PRO  68           HG2      PRO  68 -22.635   0.948   0.948
  534   2HG   PRO  68           HG1      PRO  68 -23.242   1.435   1.435
  535   1HD   PRO  68           HD2      PRO  68 -20.701   1.297   1.297
  536   2HD   PRO  68           HD1      PRO  68 -21.185   1.664   1.664
  537    H    ILE  69           HN       ILE  69 -20.835  -0.385  -0.385
  538    HA   ILE  69           HA       ILE  69 -21.040  -2.963  -2.963
  539    HB   ILE  69           HB       ILE  69 -22.141  -1.835  -1.835
  540   1HG1  ILE  69          HG12      ILE  69 -20.750   0.012   0.012
  541   2HG1  ILE  69          HG11      ILE  69 -22.185   0.811   0.811
  542   1HG2  ILE  69          HG22      ILE  69 -23.313  -1.707  -1.707
  543   2HG2  ILE  69          HG21      ILE  69 -23.011   0.027   0.027
  544   3HG2  ILE  69          HG23      ILE  69 -23.989  -0.811  -0.811
  545   1HD1  ILE  69          HD13      ILE  69 -19.833   0.330   0.330
  546   2HD1  ILE  69          HD12      ILE  69 -20.192   1.822   1.822
  547   3HD1  ILE  69          HD11      ILE  69 -21.320   1.218   1.218
  548    HA   PRO  70           HA       PRO  70 -16.830  -0.750  -0.750
  549   1HB   PRO  70           HB2      PRO  70 -15.293  -2.466  -2.466
  550   2HB   PRO  70           HB1      PRO  70 -15.923  -0.937  -0.937
  551   1HG   PRO  70           HG2      PRO  70 -16.925  -3.761  -3.761
  552   2HG   PRO  70           HG1      PRO  70 -16.878  -2.483  -2.483
  553   1HD   PRO  70           HD2      PRO  70 -19.154  -3.165  -3.165
  554   2HD   PRO  70           HD1      PRO  70 -18.807  -1.473  -1.473
  555    H    LYS  71           HN       LYS  71 -18.204  -3.877  -3.877
  556    HA   LYS  71           HA       LYS  71 -15.989  -5.089  -5.089
  557   1HB   LYS  71           HB2      LYS  71 -17.636  -6.964  -6.964
  558   2HB   LYS  71           HB1      LYS  71 -17.378  -6.436  -6.436
  559   1HG   LYS  71           HG2      LYS  71 -19.557  -4.855  -4.855
  560   2HG   LYS  71           HG1      LYS  71 -19.810  -6.444  -6.444
  561   1HD   LYS  71           HD2      LYS  71 -20.904  -6.509  -6.509
  562   2HD   LYS  71           HD1      LYS  71 -19.438  -7.460  -7.460
  563   1HE   LYS  71           HE2      LYS  71 -18.413  -5.435  -5.435
  564   2HE   LYS  71           HE1      LYS  71 -19.924  -4.550  -4.550
  565   1HZ   LYS  71           HZ1      LYS  71 -19.697  -7.104  -7.104
  566   2HZ   LYS  71           HZ3      LYS  71 -19.899  -5.574  -5.574
  567   3HZ   LYS  71           HZ2      LYS  71 -21.128  -6.228  -6.228
  568    H    GLN  72           HN       GLN  72 -19.155  -3.606  -3.606
  569    HA   GLN  72           HA       GLN  72 -18.375  -3.018  -3.018
  570   1HB   GLN  72           HB2      GLN  72 -20.539  -4.569  -4.569
  571   2HB   GLN  72           HB1      GLN  72 -18.865  -5.142  -5.142
  572   1HG   GLN  72           HG2      GLN  72 -20.022  -6.769  -6.769
  573   2HG   GLN  72           HG1      GLN  72 -19.239  -5.971  -5.971
  574   1HE2  GLN  72          HE22      GLN  72 -22.543  -4.585  -4.585
  575   2HE2  GLN  72          HE21      GLN  72 -20.903  -4.146  -4.146
  576    HA   PRO  73           HA       PRO  73 -21.750  -0.199  -0.199
  577   1HB   PRO  73           HB2      PRO  73 -22.961  -0.245  -0.245
  578   2HB   PRO  73           HB1      PRO  73 -21.367   0.498   0.498
  579   1HG   PRO  73           HG2      PRO  73 -21.978  -2.217  -2.217
  580   2HG   PRO  73           HG1      PRO  73 -20.812  -1.007  -1.007
  581   1HD   PRO  73           HD2      PRO  73 -20.112  -3.139  -3.139
  582   2HD   PRO  73           HD1      PRO  73 -19.274  -1.576  -1.576
  583    H    SER  74           HN       SER  74 -22.716  -3.189  -3.189
  584    HA   SER  74           HA       SER  74 -24.574  -4.601  -4.601
  585   1HB   SER  74           HB2      SER  74 -23.258  -4.253  -4.253
  586   2HB   SER  74           HB1      SER  74 -24.771  -3.677  -3.677
  587    HG   SER  74           HG       SER  74 -25.764  -5.516  -5.516
  588    H    SER  75           HN       SER  75 -25.242  -1.983  -1.983
  589    HA   SER  75           HA       SER  75 -28.063  -1.947  -1.947
  590   1HB   SER  75           HB2      SER  75 -26.741  -0.966  -0.966
  591   2HB   SER  75           HB1      SER  75 -27.520   0.405   0.405
  592    HG   SER  75           HG       SER  75 -29.427  -0.431  -0.431
  593    H    GLN  76           HN       GLN  76 -25.079  -0.121  -0.121
  594    HA   GLN  76           HA       GLN  76 -26.423   1.960   1.960
  595   1HB   GLN  76           HB2      GLN  76 -23.518   1.465   1.465
  596   2HB   GLN  76           HB1      GLN  76 -24.243   2.894   2.894
  597   1HG   GLN  76           HG2      GLN  76 -24.461   3.724   3.724
  598   2HG   GLN  76           HG1      GLN  76 -25.847   2.656   2.656
  599   1HE2  GLN  76          HE22      GLN  76 -24.278   0.551   0.551
  600   2HE2  GLN  76          HE21      GLN  76 -25.664   0.858   0.858
  601    HA   PRO  77           HA       PRO  77 -23.798  -0.376  -0.376
  602   1HB   PRO  77           HB2      PRO  77 -23.651  -3.112  -3.112
  603   2HB   PRO  77           HB1      PRO  77 -22.394  -2.030  -2.030
  604   1HG   PRO  77           HG2      PRO  77 -24.618  -3.398  -3.398
  605   2HG   PRO  77           HG1      PRO  77 -22.980  -3.033  -3.033
  606   1HD   PRO  77           HD2      PRO  77 -25.305  -1.728  -1.728
  607   2HD   PRO  77           HD1      PRO  77 -23.691  -1.119  -1.119
  608    H    ARG  78           HN       ARG  78 -26.592  -1.713  -1.713
  609    HA   ARG  78           HA       ARG  78 -27.832  -2.352  -2.352
  610   1HB   ARG  78           HB2      ARG  78 -29.015  -4.155  -4.155
  611   2HB   ARG  78           HB1      ARG  78 -27.247  -4.301  -4.301
  612   1HG   ARG  78           HG2      ARG  78 -27.459  -3.036  -3.036
  613   2HG   ARG  78           HG1      ARG  78 -29.192  -3.213  -3.213
  614   1HD   ARG  78           HD2      ARG  78 -28.922  -5.680  -5.680
  615   2HD   ARG  78           HD1      ARG  78 -27.169  -5.473  -5.473
  616    HE   ARG  78           HE       ARG  78 -28.483  -3.945  -3.945
  617   1HH1  ARG  78          HH21      ARG  78 -26.298  -5.649  -5.649
  618   2HH1  ARG  78          HH22      ARG  78 -27.071  -6.964  -6.964
  619   1HH2  ARG  78          HH11      ARG  78 -30.204  -6.315  -6.315
  620   2HH2  ARG  78          HH12      ARG  78 -29.290  -7.342  -7.342
  621    H    GLY  79           HN       GLY  79 -28.330  -0.996  -0.996
  622   1HA   GLY  79           HA2      GLY  79 -31.148  -0.308  -0.308
  623   2HA   GLY  79           HA1      GLY  79 -30.197   0.047   0.047
  624    H    ASP  80           HN       ASP  80 -29.858   2.160   2.160
  625    HA   ASP  80           HA       ASP  80 -30.210   4.115   4.115
  626   1HB   ASP  80           HB2      ASP  80 -29.350   4.220   4.220
  627   2HB   ASP  80           HB1      ASP  80 -29.548   5.668   5.668
  628    HA   PRO  81           HA       PRO  81 -25.893   3.703   3.703
  629   1HB   PRO  81           HB2      PRO  81 -26.038   5.506   5.506
  630   2HB   PRO  81           HB1      PRO  81 -26.603   3.825   3.825
  631   1HG   PRO  81           HG2      PRO  81 -28.168   6.323   6.323
  632   2HG   PRO  81           HG1      PRO  81 -28.533   4.964   4.964
  633   1HD   PRO  81           HD2      PRO  81 -29.682   5.234   5.234
  634   2HD   PRO  81           HD1      PRO  81 -29.315   3.643   3.643
  635    H    THR  82           HN       THR  82 -24.673   4.732   4.732
  636    HA   THR  82           HA       THR  82 -25.095   7.552   7.552
  637    HB   THR  82           HB       THR  82 -22.677   6.020   6.020
  638    HG1  THR  82           HG1      THR  82 -25.346   5.500   5.500
  639   1HG2  THR  82          HG23      THR  82 -23.223   8.303   8.303
  640   2HG2  THR  82          HG22      THR  82 -24.758   7.692   7.692
  641   3HG2  THR  82          HG21      THR  82 -23.239   7.102   7.102
  642    H    GLY  83           HN       GLY  83 -22.322   5.694   5.694
  643   1HA   GLY  83           HA2      GLY  83 -21.689   7.953   7.953
  644   2HA   GLY  83           HA1      GLY  83 -20.534   7.709   7.709
  645    HA   PRO  84           HA       PRO  84 -18.947   4.646   4.646
  646   1HB   PRO  84           HB2      PRO  84 -16.657   4.123   4.123
  647   2HB   PRO  84           HB1      PRO  84 -16.934   5.631   5.631
  648   1HG   PRO  84           HG2      PRO  84 -16.857   5.178   5.178
  649   2HG   PRO  84           HG1      PRO  84 -16.843   6.709   6.709
  650   1HD   PRO  84           HD2      PRO  84 -19.024   5.224   5.224
  651   2HD   PRO  84           HD1      PRO  84 -19.070   6.921   6.921
  652    H    LYS  85           HN       LYS  85 -20.400   3.772   3.772
  653    HA   LYS  85           HA       LYS  85 -19.277   1.051   1.051
  654   1HB   LYS  85           HB2      LYS  85 -20.928   0.871   0.871
  655   2HB   LYS  85           HB1      LYS  85 -20.250   2.489   2.489
  656   1HG   LYS  85           HG2      LYS  85 -22.287   2.874   2.874
  657   2HG   LYS  85           HG1      LYS  85 -22.853   1.916   1.916
  658   1HD   LYS  85           HD2      LYS  85 -21.173   4.494   4.494
  659   2HD   LYS  85           HD1      LYS  85 -22.922   4.355   4.355
  660   1HE   LYS  85           HE2      LYS  85 -22.673   3.835   3.835
  661   2HE   LYS  85           HE1      LYS  85 -21.570   2.498   2.498
  662   1HZ   LYS  85           HZ1      LYS  85 -19.883   4.339   4.339
  663   2HZ   LYS  85           HZ3      LYS  85 -20.983   5.387   5.387
  664   3HZ   LYS  85           HZ2      LYS  85 -20.332   4.079   4.079
  665    H    GLU  86           HN       GLU  86 -21.318   2.392   2.392
  666    HA   GLU  86           HA       GLU  86 -23.529   0.531   0.531
  667   1HB   GLU  86           HB2      GLU  86 -22.242   2.330   2.330
  668   2HB   GLU  86           HB1      GLU  86 -23.810   1.510   1.510
  669   1HG   GLU  86           HG2      GLU  86 -24.647   2.661   2.661
  670   2HG   GLU  86           HG1      GLU  86 -23.078   3.504   3.504

  Start of MODEL   10
    1   1H    LEU   1           HT2      LEU   1 -23.877  21.268  21.268
    2   2H    LEU   1           HT1      LEU   1 -22.568  21.808  21.808
    3   3H    LEU   1           HT3      LEU   1 -24.107  21.664  21.664
    4    HA   LEU   1           HA       LEU   1 -22.903  19.786  19.786
    5   1HB   LEU   1           HB2      LEU   1 -21.591  18.453  18.453
    6   2HB   LEU   1           HB1      LEU   1 -21.131  20.156  20.156
    7    HG   LEU   1           HG       LEU   1 -23.286  19.721  19.721
    8   1HD1  LEU   1          HD11      LEU   1 -21.169  17.571  17.571
    9   2HD1  LEU   1          HD13      LEU   1 -22.111  18.030  18.030
   10   3HD1  LEU   1          HD12      LEU   1 -22.921  17.373  17.373
   11   1HD2  LEU   1          HD21      LEU   1 -20.315  20.053  20.053
   12   2HD2  LEU   1          HD23      LEU   1 -21.470  21.364  21.364
   13   3HD2  LEU   1          HD22      LEU   1 -21.593  20.334  20.334
   14    H    ASP   2           HN       ASP   2 -23.622  17.495  17.495
   15    HA   ASP   2           HA       ASP   2 -25.398  15.954  15.954
   16   1HB   ASP   2           HB2      ASP   2 -24.305  16.250  16.250
   17   2HB   ASP   2           HB1      ASP   2 -25.844  17.067  17.067
   18    HA   PRO   3           HA       PRO   3 -28.661  19.198  19.198
   19   1HB   PRO   3           HB2      PRO   3 -28.858  19.279  19.279
   20   2HB   PRO   3           HB1      PRO   3 -27.708  20.255  20.255
   21   1HG   PRO   3           HG2      PRO   3 -27.213  17.886  17.886
   22   2HG   PRO   3           HG1      PRO   3 -26.116  19.188  19.188
   23   1HD   PRO   3           HD2      PRO   3 -26.424  16.576  16.576
   24   2HD   PRO   3           HD1      PRO   3 -25.212  17.770  17.770
   25    H    VAL   4           HN       VAL   4 -29.037  17.273  17.273
   26    HA   VAL   4           HA       VAL   4 -31.534  16.059  16.059
   27    HB   VAL   4           HB       VAL   4 -29.669  15.849  15.849
   28   1HG1  VAL   4          HG12      VAL   4 -31.520  13.796  13.796
   29   2HG1  VAL   4          HG11      VAL   4 -32.172  14.667  14.667
   30   3HG1  VAL   4          HG13      VAL   4 -30.563  13.950  13.950
   31   1HG2  VAL   4          HG21      VAL   4 -31.210  17.825  17.825
   32   2HG2  VAL   4          HG23      VAL   4 -31.388  17.027  17.027
   33   3HG2  VAL   4          HG22      VAL   4 -32.558  16.723  16.723
   34    H    ASP   5           HN       ASP   5 -28.385  14.797  14.797
   35    HA   ASP   5           HA       ASP   5 -28.249  12.907  12.907
   36   1HB   ASP   5           HB2      ASP   5 -28.806  12.191  12.191
   37   2HB   ASP   5           HB1      ASP   5 -27.664  11.140  11.140
   38    HA   PRO   6           HA       PRO   6 -24.029  13.632  13.632
   39   1HB   PRO   6           HB2      PRO   6 -23.570  13.495  13.495
   40   2HB   PRO   6           HB1      PRO   6 -23.779  12.028  12.028
   41   1HG   PRO   6           HG2      PRO   6 -25.681  13.200  13.200
   42   2HG   PRO   6           HG1      PRO   6 -25.589  11.521  11.521
   43   1HD   PRO   6           HD2      PRO   6 -27.256  13.752  13.752
   44   2HD   PRO   6           HD1      PRO   6 -27.265  12.024  12.024
   45    H    ASN   7           HN       ASN   7 -22.735  15.382  15.382
   46    HA   ASN   7           HA       ASN   7 -24.260  17.871  17.871
   47   1HB   ASN   7           HB2      ASN   7 -21.501  17.138  17.138
   48   2HB   ASN   7           HB1      ASN   7 -22.100  18.807  18.807
   49   1HD2  ASN   7          HD22      ASN   7 -20.911  16.942  16.942
   50   2HD2  ASN   7          HD21      ASN   7 -20.853  16.151  16.151
   51    H    ILE   8           HN       ILE   8 -23.057  15.895  15.895
   52    HA   ILE   8           HA       ILE   8 -24.918  17.420  17.420
   53    HB   ILE   8           HB       ILE   8 -23.227  17.655  17.655
   54   1HG1  ILE   8          HG12      ILE   8 -22.263  15.336  15.336
   55   2HG1  ILE   8          HG11      ILE   8 -21.049  16.585  16.585
   56   1HG2  ILE   8          HG23      ILE   8 -21.974  18.126  18.126
   57   2HG2  ILE   8          HG22      ILE   8 -21.354  18.782  18.782
   58   3HG2  ILE   8          HG21      ILE   8 -22.944  19.266  19.266
   59   1HD1  ILE   8          HD11      ILE   8 -21.100  16.538  16.538
   60   2HD1  ILE   8          HD13      ILE   8 -21.798  14.937  14.937
   61   3HD1  ILE   8          HD12      ILE   8 -20.202  15.312  15.312
   62    H    GLU   9           HN       GLU   9 -24.768  14.573  14.573
   63    HA   GLU   9           HA       GLU   9 -25.293  12.350  12.350
   64   1HB   GLU   9           HB2      GLU   9 -27.159  14.020  14.020
   65   2HB   GLU   9           HB1      GLU   9 -26.589  13.531  13.531
   66   1HG   GLU   9           HG2      GLU   9 -26.888  11.122  11.122
   67   2HG   GLU   9           HG1      GLU   9 -27.643  11.766  11.766
   68    HA   PRO  10           HA       PRO  10 -22.128  12.158  12.158
   69   1HB   PRO  10           HB2      PRO  10 -19.939  11.557  11.557
   70   2HB   PRO  10           HB1      PRO  10 -20.505  13.215  13.215
   71   1HG   PRO  10           HG2      PRO  10 -20.741  11.504  11.504
   72   2HG   PRO  10           HG1      PRO  10 -20.503  13.293  13.293
   73   1HD   PRO  10           HD2      PRO  10 -22.826  11.683  11.683
   74   2HD   PRO  10           HD1      PRO  10 -22.824  13.447  13.447
   75    H    TRP  11           HN       TRP  11 -23.966  10.120  10.120
   76    HA   TRP  11           HA       TRP  11 -22.239   7.705   7.705
   77   1HB   TRP  11           HB2      TRP  11 -25.200   8.239   8.239
   78   2HB   TRP  11           HB1      TRP  11 -24.440   6.705   6.705
   79    HD1  TRP  11           HD1      TRP  11 -25.059  10.088  10.088
   80    HE1  TRP  11           HE1      TRP  11 -23.971  10.247  10.247
   81    HE3  TRP  11           HE3      TRP  11 -22.278   5.806   5.806
   82    HZ2  TRP  11           HZ2      TRP  11 -22.155   8.750   8.750
   83    HZ3  TRP  11           HZ3      TRP  11 -20.887   5.207   5.207
   84    HH2  TRP  11           HH2      TRP  11 -20.822   6.667   6.667
   85    H    ASN  12           HN       ASN  12 -21.974   8.688   8.688
   86    HA   ASN  12           HA       ASN  12 -23.370   6.720   6.720
   87   1HB   ASN  12           HB2      ASN  12 -23.860   8.777   8.777
   88   2HB   ASN  12           HB1      ASN  12 -24.905   8.410   8.410
   89   1HD2  ASN  12          HD22      ASN  12 -23.822  11.230  11.230
   90   2HD2  ASN  12          HD21      ASN  12 -24.527   9.698   9.698
   91    H    HIS  13           HN       HIS  13 -21.529   5.759   5.759
   92    HA   HIS  13           HA       HIS  13 -19.318   7.574   7.574
   93   1HB   HIS  13           HB2      HIS  13 -19.530   4.833   4.833
   94   2HB   HIS  13           HB1      HIS  13 -18.192   5.140   5.140
   95    HD1  HIS  13           HD1      HIS  13 -16.131   5.698   5.698
   96    HD2  HIS  13           HD2      HIS  13 -19.468   7.583   7.583
   97    HE1  HIS  13           HE1      HIS  13 -15.264   7.257   7.257
   98    HA   PRO  14           HA       PRO  14 -20.957   6.138   6.138
   99   1HB   PRO  14           HB2      PRO  14 -19.821   8.337   8.337
  100   2HB   PRO  14           HB1      PRO  14 -21.469   8.374   8.374
  101   1HG   PRO  14           HG2      PRO  14 -18.791   9.324   9.324
  102   2HG   PRO  14           HG1      PRO  14 -20.358  10.087  10.087
  103   1HD   PRO  14           HD2      PRO  14 -18.899   8.770   8.770
  104   2HD   PRO  14           HD1      PRO  14 -20.670   8.921   8.921
  105    H    GLY  15           HN       GLY  15 -19.819   5.125   5.125
  106   1HA   GLY  15           HA2      GLY  15 -16.973   4.730   4.730
  107   2HA   GLY  15           HA1      GLY  15 -17.895   3.922   3.922
  108    H    SER  16           HN       SER  16 -16.901   7.165   7.165
  109    HA   SER  16           HA       SER  16 -15.910   7.889   7.889
  110   1HB   SER  16           HB2      SER  16 -18.482   8.044   8.044
  111   2HB   SER  16           HB1      SER  16 -18.159   9.435   9.435
  112    HG   SER  16           HG       SER  16 -18.383  10.053  10.053
  113    H    GLN  17           HN       GLN  17 -16.437   8.667   8.667
  114    HA   GLN  17           HA       GLN  17 -14.454  10.883  10.883
  115   1HB   GLN  17           HB2      GLN  17 -16.997  10.501  10.501
  116   2HB   GLN  17           HB1      GLN  17 -15.773  11.711  11.711
  117   1HG   GLN  17           HG2      GLN  17 -17.463  11.331  11.331
  118   2HG   GLN  17           HG1      GLN  17 -17.595  12.636  12.636
  119   1HE2  GLN  17          HE22      GLN  17 -15.168  13.191  13.191
  120   2HE2  GLN  17          HE21      GLN  17 -16.414  12.026  12.026
  121    HA   PRO  18           HA       PRO  18 -13.495   8.519   8.519
  122   1HB   PRO  18           HB2      PRO  18 -15.122   6.382   6.382
  123   2HB   PRO  18           HB1      PRO  18 -15.376   8.027   8.027
  124   1HG   PRO  18           HG2      PRO  18 -16.660   6.544   6.544
  125   2HG   PRO  18           HG1      PRO  18 -17.406   7.619   7.619
  126   1HD   PRO  18           HD2      PRO  18 -16.944   8.414   8.414
  127   2HD   PRO  18           HD1      PRO  18 -16.788   9.522   9.522
  128    H    LYS  19           HN       LYS  19 -15.174   6.347   6.347
  129    HA   LYS  19           HA       LYS  19 -13.165   4.263   4.263
  130   1HB   LYS  19           HB2      LYS  19 -15.370   5.126   5.126
  131   2HB   LYS  19           HB1      LYS  19 -14.372   3.750   3.750
  132   1HG   LYS  19           HG2      LYS  19 -14.915   3.095   3.095
  133   2HG   LYS  19           HG1      LYS  19 -16.426   3.901   3.901
  134   1HD   LYS  19           HD2      LYS  19 -16.960   2.314   2.314
  135   2HD   LYS  19           HD1      LYS  19 -15.302   1.969   1.969
  136   1HE   LYS  19           HE2      LYS  19 -15.964   1.223   1.223
  137   2HE   LYS  19           HE1      LYS  19 -16.786   0.270   0.270
  138   1HZ   LYS  19           HZ2      LYS  19 -14.668  -0.058  -0.058
  139   2HZ   LYS  19           HZ1      LYS  19 -13.867   0.848   0.848
  140   3HZ   LYS  19           HZ3      LYS  19 -14.586  -0.636  -0.636
  141    H    THR  20           HN       THR  20 -13.662   7.221   7.221
  142    HA   THR  20           HA       THR  20 -11.244   6.672   6.672
  143    HB   THR  20           HB       THR  20 -13.170   9.001   9.001
  144    HG1  THR  20           HG1      THR  20 -13.268   6.554   6.554
  145   1HG2  THR  20          HG23      THR  20 -10.916   7.982   7.982
  146   2HG2  THR  20          HG22      THR  20 -12.323   8.557   8.557
  147   3HG2  THR  20          HG21      THR  20 -11.488   9.635   9.635
  148    H    ALA  21           HN       ALA  21 -11.306   7.259   7.259
  149    HA   ALA  21           HA       ALA  21 -10.657   9.857   9.857
  150   1HB   ALA  21           HB2      ALA  21  -9.799   7.105   7.105
  151   2HB   ALA  21           HB1      ALA  21  -9.150   8.526   8.526
  152   3HB   ALA  21           HB3      ALA  21 -10.889   8.230   8.230
  153    H    SER  22           HN       SER  22  -8.796   7.835   7.835
  154    HA   SER  22           HA       SER  22  -6.137   8.622   8.622
  155   1HB   SER  22           HB2      SER  22  -7.177   7.033   7.033
  156   2HB   SER  22           HB1      SER  22  -7.485   8.474   8.474
  157    HG   SER  22           HG       SER  22  -5.103   7.206   7.206
  158    H    ASN  23           HN       ASN  23  -8.865  10.522  10.522
  159    HA   ASN  23           HA       ASN  23  -7.330  12.697  12.697
  160   1HB   ASN  23           HB2      ASN  23  -9.465  13.614  13.614
  161   2HB   ASN  23           HB1      ASN  23  -9.851  11.897  11.897
  162   1HD2  ASN  23          HD22      ASN  23 -11.479  12.250  12.250
  163   2HD2  ASN  23          HD21      ASN  23 -10.682  11.141  11.141
  164    H    ARG  24           HN       ARG  24  -8.495  11.950  11.950
  165    HA   ARG  24           HA       ARG  24  -7.001  14.311  14.311
  166   1HB   ARG  24           HB2      ARG  24  -9.865  13.478  13.478
  167   2HB   ARG  24           HB1      ARG  24  -9.046  14.241  14.241
  168   1HG   ARG  24           HG2      ARG  24  -8.585  16.221  16.221
  169   2HG   ARG  24           HG1      ARG  24  -9.001  15.466  15.466
  170   1HD   ARG  24           HD2      ARG  24 -10.946  16.732  16.732
  171   2HD   ARG  24           HD1      ARG  24 -11.268  15.035  15.035
  172    HE   ARG  24           HE       ARG  24 -11.191  15.648  15.648
  173   1HH1  ARG  24          HH21      ARG  24  -8.733  16.795  16.795
  174   2HH1  ARG  24          HH22      ARG  24  -9.006  18.499  18.499
  175   1HH2  ARG  24          HH11      ARG  24 -12.048  18.426  18.426
  176   2HH2  ARG  24          HH12      ARG  24 -10.887  19.425  19.425
  177    H    ALA  25           HN       ALA  25  -9.015  12.126  12.126
  178    HA   ALA  25           HA       ALA  25  -8.488  10.498  10.498
  179   1HB   ALA  25           HB1      ALA  25  -7.459   9.580   9.580
  180   2HB   ALA  25           HB3      ALA  25  -5.920  10.221  10.221
  181   3HB   ALA  25           HB2      ALA  25  -6.754   8.977   8.977
  182    H    HIS  26           HN       HIS  26  -8.114  12.845  12.845
  183    HA   HIS  26           HA       HIS  26  -5.895  12.432  12.432
  184   1HB   HIS  26           HB2      HIS  26  -4.989  14.858  14.858
  185   2HB   HIS  26           HB1      HIS  26  -4.424  13.374  13.374
  186    HD1  HIS  26           HD1      HIS  26  -3.788  15.212  15.212
  187    HD2  HIS  26           HD2      HIS  26  -7.841  14.383  14.383
  188    HE1  HIS  26           HE1      HIS  26  -4.959  16.042  16.042
  189    H    ALA  27           HN       ALA  27  -7.972  15.099  15.099
  190    HA   ALA  27           HA       ALA  27  -8.418  16.071  16.071
  191   1HB   ALA  27           HB1      ALA  27  -9.284  16.895  16.895
  192   2HB   ALA  27           HB3      ALA  27  -9.828  17.743  17.743
  193   3HB   ALA  27           HB2      ALA  27  -8.111  17.699  17.699
  194    H    LYS  28           HN       LYS  28  -9.858  13.814  13.814
  195    HA   LYS  28           HA       LYS  28 -12.643  14.076  14.076
  196   1HB   LYS  28           HB2      LYS  28 -11.785  12.844  12.844
  197   2HB   LYS  28           HB1      LYS  28 -10.902  11.839  11.839
  198   1HG   LYS  28           HG2      LYS  28 -13.526  11.560  11.560
  199   2HG   LYS  28           HG1      LYS  28 -13.728  11.732  11.732
  200   1HD   LYS  28           HD2      LYS  28 -12.010   9.693   9.693
  201   2HD   LYS  28           HD1      LYS  28 -13.476   9.375   9.375
  202   1HE   LYS  28           HE2      LYS  28 -12.413   9.883   9.883
  203   2HE   LYS  28           HE1      LYS  28 -11.027  10.634  10.634
  204   1HZ   LYS  28           HZ1      LYS  28 -10.557   8.517   8.517
  205   2HZ   LYS  28           HZ3      LYS  28 -11.811   7.784   7.784
  206   3HZ   LYS  28           HZ2      LYS  28 -10.455   8.403   8.403
  207    H    LYS  29           HN       LYS  29 -10.205  11.674  11.674
  208    HA   LYS  29           HA       LYS  29 -11.880  11.003  11.003
  209   1HB   LYS  29           HB2      LYS  29 -10.296   9.128   9.128
  210   2HB   LYS  29           HB1      LYS  29 -10.954   9.216   9.216
  211   1HG   LYS  29           HG2      LYS  29  -8.472  10.809  10.809
  212   2HG   LYS  29           HG1      LYS  29  -8.249   9.118   9.118
  213   1HD   LYS  29           HD2      LYS  29  -9.483   8.598   8.598
  214   2HD   LYS  29           HD1      LYS  29  -9.284  10.330  10.330
  215   1HE   LYS  29           HE2      LYS  29  -7.007  10.203  10.203
  216   2HE   LYS  29           HE1      LYS  29  -6.829   8.797   8.797
  217   1HZ   LYS  29           HZ1      LYS  29  -8.184   8.806   8.806
  218   2HZ   LYS  29           HZ3      LYS  29  -6.633   8.187   8.187
  219   3HZ   LYS  29           HZ2      LYS  29  -7.989   7.454   7.454
  220    H    SER  30           HN       SER  30  -8.945  12.761  12.761
  221    HA   SER  30           HA       SER  30  -7.451  13.938  13.938
  222   1HB   SER  30           HB2      SER  30  -9.875  14.538  14.538
  223   2HB   SER  30           HB1      SER  30  -9.572  13.792  13.792
  224    HG   SER  30           HG       SER  30  -8.095  15.337  15.337
  225    H    ALA  31           HN       ALA  31  -7.693  10.874  10.874
  226    HA   ALA  31           HA       ALA  31  -6.707   9.126   9.126
  227   1HB   ALA  31           HB2      ALA  31  -4.887  10.926  10.926
  228   2HB   ALA  31           HB1      ALA  31  -5.120  11.297  11.297
  229   3HB   ALA  31           HB3      ALA  31  -4.585   9.690   9.690
  230    H    TYR  32           HN       TYR  32  -8.711   8.689   8.689
  231    HA   TYR  32           HA       TYR  32  -8.190   8.921   8.921
  232   1HB   TYR  32           HB2      TYR  32 -10.682   9.873   9.873
  233   2HB   TYR  32           HB1      TYR  32  -9.373  10.987  10.987
  234    HD1  TYR  32           HD1      TYR  32 -10.526   8.580   8.580
  235    HD2  TYR  32           HD2      TYR  32 -11.456  12.280  12.280
  236    HE1  TYR  32           HE1      TYR  32 -12.113   9.139   9.139
  237    HE2  TYR  32           HE2      TYR  32 -13.041  12.841  12.841
  238    HH   TYR  32           HH       TYR  32 -14.439  11.018  11.018
  239    H    HIS  33           HN       HIS  33  -8.243   6.653   6.653
  240    HA   HIS  33           HA       HIS  33  -9.201   4.497   4.497
  241   1HB   HIS  33           HB2      HIS  33  -8.797   4.589   4.589
  242   2HB   HIS  33           HB1      HIS  33 -10.191   5.636   5.636
  243    HD1  HIS  33           HD1      HIS  33  -9.280   2.058   2.058
  244    HD2  HIS  33           HD2      HIS  33 -12.648   4.383   4.383
  245    HE1  HIS  33           HE1      HIS  33 -11.152   0.439   0.439
  246    H    SER  34           HN       SER  34 -10.627   6.820   6.820
  247    HA   SER  34           HA       SER  34 -12.611   7.262   7.262
  248   1HB   SER  34           HB2      SER  34 -12.528   4.319   4.319
  249   2HB   SER  34           HB1      SER  34 -14.032   4.996   4.996
  250    HG   SER  34           HG       SER  34 -13.001   4.919   4.919
  251    H    GLN  35           HN       GLN  35 -13.891   8.639   8.639
  252    HA   GLN  35           HA       GLN  35 -15.585   7.501   7.501
  253   1HB   GLN  35           HB2      GLN  35 -14.516  10.305  10.305
  254   2HB   GLN  35           HB1      GLN  35 -15.359   9.703   9.703
  255   1HG   GLN  35           HG2      GLN  35 -12.801   8.476   8.476
  256   2HG   GLN  35           HG1      GLN  35 -12.727   9.729   9.729
  257   1HE2  GLN  35          HE22      GLN  35 -13.465   5.924   5.924
  258   2HE2  GLN  35          HE21      GLN  35 -12.858   6.397   6.397
  259    H    VAL  36           HN       VAL  36 -15.605   9.230   9.230
  260    HA   VAL  36           HA       VAL  36 -17.391   9.966   9.966
  261    HB   VAL  36           HB       VAL  36 -19.250   8.685   8.685
  262   1HG1  VAL  36          HG12      VAL  36 -19.217   9.091   9.091
  263   2HG1  VAL  36          HG11      VAL  36 -20.317   7.964   7.964
  264   3HG1  VAL  36          HG13      VAL  36 -20.375   9.678   9.678
  265   1HG2  VAL  36          HG22      VAL  36 -17.426   7.170   7.170
  266   2HG2  VAL  36          HG21      VAL  36 -17.664   6.929   6.929
  267   3HG2  VAL  36          HG23      VAL  36 -18.954   6.525   6.525
  268    H    ALA  37           HN       ALA  37 -16.417  11.783  11.783
  269    HA   ALA  37           HA       ALA  37 -17.157  13.559  13.559
  270   1HB   ALA  37           HB1      ALA  37 -18.483  13.929  13.929
  271   2HB   ALA  37           HB3      ALA  37 -18.168  15.224  15.224
  272   3HB   ALA  37           HB2      ALA  37 -16.823  14.361  14.361
  273    H    PHE  38           HN       PHE  38 -18.587  12.130  12.130
  274    HA   PHE  38           HA       PHE  38 -21.472  12.271  12.271
  275   1HB   PHE  38           HB2      PHE  38 -21.623  10.584  10.584
  276   2HB   PHE  38           HB1      PHE  38 -20.407  10.203  10.203
  277    HD1  PHE  38           HD1      PHE  38 -18.056  10.192  10.192
  278    HD2  PHE  38           HD2      PHE  38 -21.016  11.389  11.389
  279    HE1  PHE  38           HE1      PHE  38 -16.370  10.056  10.056
  280    HE2  PHE  38           HE2      PHE  38 -19.342  11.269  11.269
  281    HZ   PHE  38           HZ       PHE  38 -17.017  10.598  10.598
  282    H    ILE  39           HN       ILE  39 -22.143  12.184  12.184
  283    HA   ILE  39           HA       ILE  39 -22.948  14.850  14.850
  284    HB   ILE  39           HB       ILE  39 -23.586  14.163  14.163
  285   1HG1  ILE  39          HG12      ILE  39 -22.458  11.523  11.523
  286   2HG1  ILE  39          HG11      ILE  39 -21.141  12.656  12.656
  287   1HG2  ILE  39          HG22      ILE  39 -24.109  12.620  12.620
  288   2HG2  ILE  39          HG21      ILE  39 -24.028  11.520  11.520
  289   3HG2  ILE  39          HG23      ILE  39 -25.156  12.876  12.876
  290   1HD1  ILE  39          HD12      ILE  39 -22.349  13.998  13.998
  291   2HD1  ILE  39          HD11      ILE  39 -23.317  12.544  12.544
  292   3HD1  ILE  39          HD13      ILE  39 -21.570  12.488  12.488
  293    H    THR  40           HN       THR  40 -19.821  13.484  13.484
  294    HA   THR  40           HA       THR  40 -19.376  16.025  16.025
  295    HB   THR  40           HB       THR  40 -17.582  13.592  13.592
  296    HG1  THR  40           HG1      THR  40 -19.622  14.101  14.101
  297   1HG2  THR  40          HG21      THR  40 -17.296  16.085  16.085
  298   2HG2  THR  40          HG23      THR  40 -17.762  14.993  14.993
  299   3HG2  THR  40          HG22      THR  40 -16.339  14.638  14.638
  300    H    LYS  41           HN       LYS  41 -17.747  17.481  17.481
  301    HA   LYS  41           HA       LYS  41 -16.790  17.602  17.602
  302   1HB   LYS  41           HB2      LYS  41 -16.261  19.206  19.206
  303   2HB   LYS  41           HB1      LYS  41 -15.639  19.649  19.649
  304   1HG   LYS  41           HG2      LYS  41 -18.537  19.309  19.309
  305   2HG   LYS  41           HG1      LYS  41 -17.727  20.852  20.852
  306   1HD   LYS  41           HD2      LYS  41 -18.700  20.461  20.461
  307   2HD   LYS  41           HD1      LYS  41 -17.115  19.752  19.752
  308   1HE   LYS  41           HE2      LYS  41 -18.622  17.591  17.591
  309   2HE   LYS  41           HE1      LYS  41 -19.790  18.511  18.511
  310   1HZ   LYS  41           HZ1      LYS  41 -17.064  18.102  18.102
  311   2HZ   LYS  41           HZ3      LYS  41 -17.966  16.680  16.680
  312   3HZ   LYS  41           HZ2      LYS  41 -18.541  17.914  17.914
  313    H    GLY  42           HN       GLY  42 -15.576  16.134  16.134
  314   1HA   GLY  42           HA2      GLY  42 -12.756  16.283  16.283
  315   2HA   GLY  42           HA1      GLY  42 -13.448  15.251  15.251
  316    H    LEU  43           HN       LEU  43 -15.356  14.636  14.636
  317    HA   LEU  43           HA       LEU  43 -15.393  12.922  12.922
  318   1HB   LEU  43           HB2      LEU  43 -12.450  13.755  13.755
  319   2HB   LEU  43           HB1      LEU  43 -12.972  12.279  12.279
  320    HG   LEU  43           HG       LEU  43 -14.255  13.403  13.403
  321   1HD1  LEU  43          HD13      LEU  43 -14.174  15.824  15.824
  322   2HD1  LEU  43          HD12      LEU  43 -14.827  15.816  15.816
  323   3HD1  LEU  43          HD11      LEU  43 -15.587  14.841  14.841
  324   1HD2  LEU  43          HD22      LEU  43 -11.623  14.051  14.051
  325   2HD2  LEU  43          HD21      LEU  43 -12.596  14.833  14.833
  326   3HD2  LEU  43          HD23      LEU  43 -12.304  15.654  15.654
  327    H    GLY  44           HN       GLY  44 -15.437  12.205  12.205
  328   1HA   GLY  44           HA2      GLY  44 -15.077  10.273  10.273
  329   2HA   GLY  44           HA1      GLY  44 -15.156   9.393   9.393
  330    H    ILE  45           HN       ILE  45 -12.644  11.750  11.750
  331    HA   ILE  45           HA       ILE  45 -10.516   9.887   9.887
  332    HB   ILE  45           HB       ILE  45  -9.159  11.896  11.896
  333   1HG1  ILE  45          HG12      ILE  45 -10.786  14.003  14.003
  334   2HG1  ILE  45          HG11      ILE  45 -11.935  12.864  12.864
  335   1HG2  ILE  45          HG21      ILE  45 -11.100  12.001  12.001
  336   2HG2  ILE  45          HG23      ILE  45  -9.954  13.313  13.313
  337   3HG2  ILE  45          HG22      ILE  45  -9.366  11.680  11.680
  338   1HD1  ILE  45          HD13      ILE  45  -9.473  12.634  12.634
  339   2HD1  ILE  45          HD12      ILE  45  -9.537  14.346  14.346
  340   3HD1  ILE  45          HD11      ILE  45 -10.833  13.624  13.624
  341    H    SER  46           HN       SER  46 -11.744  11.618  11.618
  342    HA   SER  46           HA       SER  46 -11.304   9.362   9.362
  343   1HB   SER  46           HB2      SER  46  -8.928  10.413  10.413
  344   2HB   SER  46           HB1      SER  46  -9.261  11.464  11.464
  345    HG   SER  46           HG       SER  46  -8.868   9.872   9.872
  346    H    TYR  47           HN       TYR  47 -13.130  11.878  11.878
  347    HA   TYR  47           HA       TYR  47 -12.872  13.384  13.384
  348   1HB   TYR  47           HB2      TYR  47 -14.907  14.502  14.502
  349   2HB   TYR  47           HB1      TYR  47 -13.861  14.186  14.186
  350    HD1  TYR  47           HD1      TYR  47 -16.772  12.793  12.793
  351    HD2  TYR  47           HD2      TYR  47 -14.494  12.915  12.915
  352    HE1  TYR  47           HE1      TYR  47 -18.503  11.440  11.440
  353    HE2  TYR  47           HE2      TYR  47 -16.204  11.580  11.580
  354    HH   TYR  47           HH       TYR  47 -17.999   9.882   9.882
  355    H    GLY  48           HN       GLY  48 -14.507  10.468  10.468
  356   1HA   GLY  48           HA2      GLY  48 -15.066   8.998   8.998
  357   2HA   GLY  48           HA1      GLY  48 -16.102  10.347  10.347
  358    H    ARG  49           HN       ARG  49 -15.471   8.627   8.627
  359    HA   ARG  49           HA       ARG  49 -18.074   8.972   8.972
  360   1HB   ARG  49           HB2      ARG  49 -16.019   8.375   8.375
  361   2HB   ARG  49           HB1      ARG  49 -16.044   6.768   6.768
  362   1HG   ARG  49           HG2      ARG  49 -18.605   7.048   7.048
  363   2HG   ARG  49           HG1      ARG  49 -17.661   8.108   8.108
  364   1HD   ARG  49           HD2      ARG  49 -16.851   5.229   5.229
  365   2HD   ARG  49           HD1      ARG  49 -17.760   5.800   5.800
  366    HE   ARG  49           HE       ARG  49 -15.574   7.557   7.557
  367   1HH1  ARG  49          HH11      ARG  49 -16.473   5.065   5.065
  368   2HH1  ARG  49          HH12      ARG  49 -14.887   4.442   4.442
  369   1HH2  ARG  49          HH21      ARG  49 -13.362   6.374   6.374
  370   2HH2  ARG  49          HH22      ARG  49 -13.124   5.184   5.184
  371    H    LYS  50           HN       LYS  50 -19.934   7.677   7.677
  372    HA   LYS  50           HA       LYS  50 -20.051   5.642   5.642
  373   1HB   LYS  50           HB2      LYS  50 -22.472   6.146   6.146
  374   2HB   LYS  50           HB1      LYS  50 -21.513   7.600   7.600
  375   1HG   LYS  50           HG2      LYS  50 -21.858   7.216   7.216
  376   2HG   LYS  50           HG1      LYS  50 -23.404   7.017   7.017
  377   1HD   LYS  50           HD2      LYS  50 -23.340   9.176   9.176
  378   2HD   LYS  50           HD1      LYS  50 -21.605   9.318   9.318
  379   1HE   LYS  50           HE2      LYS  50 -22.265  10.563  10.563
  380   2HE   LYS  50           HE1      LYS  50 -22.308   8.965   8.965
  381   1HZ   LYS  50           HZ1      LYS  50 -24.606  10.194  10.194
  382   2HZ   LYS  50           HZ3      LYS  50 -24.428  10.217  10.217
  383   3HZ   LYS  50           HZ2      LYS  50 -24.617   8.737   8.737
  384    H    LYS  51           HN       LYS  51 -19.701   5.658   5.658
  385    HA   LYS  51           HA       LYS  51 -19.855   3.924   3.924
  386   1HB   LYS  51           HB2      LYS  51 -21.084   2.305   2.305
  387   2HB   LYS  51           HB1      LYS  51 -20.639   1.758   1.758
  388   1HG   LYS  51           HG2      LYS  51 -18.458   3.288   3.288
  389   2HG   LYS  51           HG1      LYS  51 -18.882   1.780   1.780
  390   1HD   LYS  51           HD2      LYS  51 -17.259   1.146   1.146
  391   2HD   LYS  51           HD1      LYS  51 -18.766   0.733   0.733
  392   1HE   LYS  51           HE2      LYS  51 -18.632   2.598   2.598
  393   2HE   LYS  51           HE1      LYS  51 -17.476   3.448   3.448
  394   1HZ   LYS  51           HZ1      LYS  51 -16.977   0.857   0.857
  395   2HZ   LYS  51           HZ3      LYS  51 -16.372   2.360   2.360
  396   3HZ   LYS  51           HZ2      LYS  51 -15.865   1.692   1.692
  397    H    ARG  52           HN       ARG  52 -22.669   5.050   5.050
  398    HA   ARG  52           HA       ARG  52 -24.526   3.961   3.961
  399   1HB   ARG  52           HB2      ARG  52 -25.196   5.779   5.779
  400   2HB   ARG  52           HB1      ARG  52 -26.230   4.602   4.602
  401   1HG   ARG  52           HG2      ARG  52 -23.916   4.175   4.175
  402   2HG   ARG  52           HG1      ARG  52 -25.585   3.632   3.632
  403   1HD   ARG  52           HD2      ARG  52 -23.473   2.449   2.449
  404   2HD   ARG  52           HD1      ARG  52 -24.406   1.643   1.643
  405    HE   ARG  52           HE       ARG  52 -25.317   2.108   2.108
  406   1HH1  ARG  52          HH11      ARG  52 -26.214   0.471   0.471
  407   2HH1  ARG  52          HH12      ARG  52 -27.907   0.829   0.829
  408   1HH2  ARG  52          HH21      ARG  52 -27.562   3.285   3.285
  409   2HH2  ARG  52          HH22      ARG  52 -28.671   2.424   2.424
  410    H    ARG  53           HN       ARG  53 -22.440   6.460   6.460
  411    HA   ARG  53           HA       ARG  53 -23.835   8.844   8.844
  412   1HB   ARG  53           HB2      ARG  53 -21.753   9.370   9.370
  413   2HB   ARG  53           HB1      ARG  53 -21.457   8.741   8.741
  414   1HG   ARG  53           HG2      ARG  53 -20.201   7.101   7.101
  415   2HG   ARG  53           HG1      ARG  53 -21.580   6.450   6.450
  416   1HD   ARG  53           HD2      ARG  53 -21.087   7.970   7.970
  417   2HD   ARG  53           HD1      ARG  53 -19.660   8.529   8.529
  418    HE   ARG  53           HE       ARG  53 -19.913   5.615   5.615
  419   1HH1  ARG  53          HH11      ARG  53 -17.513   7.506   7.506
  420   2HH1  ARG  53          HH12      ARG  53 -16.517   7.297   7.297
  421   1HH2  ARG  53          HH21      ARG  53 -19.030   5.815   5.815
  422   2HH2  ARG  53          HH22      ARG  53 -17.379   6.337   6.337
  423    H    GLN  54           HN       GLN  54 -23.470   5.969   5.969
  424    HA   GLN  54           HA       GLN  54 -24.078   7.216   7.216
  425   1HB   GLN  54           HB2      GLN  54 -24.565   4.285   4.285
  426   2HB   GLN  54           HB1      GLN  54 -24.259   4.999   4.999
  427   1HG   GLN  54           HG2      GLN  54 -22.028   5.608   5.608
  428   2HG   GLN  54           HG1      GLN  54 -22.189   5.117   5.117
  429   1HE2  GLN  54          HE22      GLN  54 -22.058   1.608   1.608
  430   2HE2  GLN  54          HE21      GLN  54 -22.700   2.754   2.754
  431    H    ARG  55           HN       ARG  55 -26.039   5.478   5.478
  432    HA   ARG  55           HA       ARG  55 -28.366   5.423   5.423
  433   1HB   ARG  55           HB2      ARG  55 -28.073   8.128   8.128
  434   2HB   ARG  55           HB1      ARG  55 -29.481   7.598   7.598
  435   1HG   ARG  55           HG2      ARG  55 -28.003   7.252   7.252
  436   2HG   ARG  55           HG1      ARG  55 -26.679   7.971   7.971
  437   1HD   ARG  55           HD2      ARG  55 -27.853  10.062  10.062
  438   2HD   ARG  55           HD1      ARG  55 -29.279   9.402   9.402
  439    HE   ARG  55           HE       ARG  55 -26.556   9.529   9.529
  440   1HH1  ARG  55          HH11      ARG  55 -29.024   8.206   8.206
  441   2HH1  ARG  55          HH12      ARG  55 -29.521   9.452   9.452
  442   1HH2  ARG  55          HH21      ARG  55 -27.598  11.920  11.920
  443   2HH2  ARG  55          HH22      ARG  55 -28.712  11.560  11.560
  444    H    ARG  56           HN       ARG  56 -27.214   4.430   4.430
  445    HA   ARG  56           HA       ARG  56 -29.772   3.852   3.852
  446   1HB   ARG  56           HB2      ARG  56 -29.441   5.110   5.110
  447   2HB   ARG  56           HB1      ARG  56 -29.076   6.225   6.225
  448   1HG   ARG  56           HG2      ARG  56 -26.616   4.949   4.949
  449   2HG   ARG  56           HG1      ARG  56 -27.316   5.171   5.171
  450   1HD   ARG  56           HD2      ARG  56 -27.587   7.449   7.449
  451   2HD   ARG  56           HD1      ARG  56 -25.905   6.989   6.989
  452    HE   ARG  56           HE       ARG  56 -26.850   7.005   7.005
  453   1HH1  ARG  56          HH21      ARG  56 -29.047   7.935   7.935
  454   2HH1  ARG  56          HH22      ARG  56 -29.241   9.612   9.612
  455   1HH2  ARG  56          HH11      ARG  56 -26.656   9.649   9.649
  456   2HH2  ARG  56          HH12      ARG  56 -27.886  10.583  10.583
  457    H    ARG  57           HN       ARG  57 -27.575   2.294   2.294
  458    HA   ARG  57           HA       ARG  57 -25.723   1.300   1.300
  459   1HB   ARG  57           HB2      ARG  57 -25.701   0.858   0.858
  460   2HB   ARG  57           HB1      ARG  57 -27.165  -0.098  -0.098
  461   1HG   ARG  57           HG2      ARG  57 -25.466  -1.708  -1.708
  462   2HG   ARG  57           HG1      ARG  57 -25.866  -1.560  -1.560
  463   1HD   ARG  57           HD2      ARG  57 -23.963   0.150   0.150
  464   2HD   ARG  57           HD1      ARG  57 -23.526  -0.298  -0.298
  465    HE   ARG  57           HE       ARG  57 -23.612  -2.216  -2.216
  466   1HH1  ARG  57          HH11      ARG  57 -23.667  -2.561  -2.561
  467   2HH1  ARG  57          HH12      ARG  57 -22.139  -3.361  -3.361
  468   1HH2  ARG  57          HH21      ARG  57 -21.168  -2.734  -2.734
  469   2HH2  ARG  57          HH22      ARG  57 -20.724  -3.460  -3.460
  470    HA   PRO  58           HA       PRO  58 -29.001  -1.965  -1.965
  471   1HB   PRO  58           HB2      PRO  58 -31.635  -1.447  -1.447
  472   2HB   PRO  58           HB1      PRO  58 -30.562  -2.339  -2.339
  473   1HG   PRO  58           HG2      PRO  58 -31.424   0.512   0.512
  474   2HG   PRO  58           HG1      PRO  58 -31.205  -0.627  -0.627
  475   1HD   PRO  58           HD2      PRO  58 -29.499   1.325   1.325
  476   2HD   PRO  58           HD1      PRO  58 -28.971  -0.123  -0.123
  477    H    SER  59           HN       SER  59 -29.220   1.439   1.439
  478    HA   SER  59           HA       SER  59 -31.083   1.226   1.226
  479   1HB   SER  59           HB2      SER  59 -30.958   3.469   3.469
  480   2HB   SER  59           HB1      SER  59 -31.052   3.151   3.151
  481    HG   SER  59           HG       SER  59 -29.364   4.700   4.700
  482    H    GLN  60           HN       GLN  60 -30.484   2.139   2.139
  483    HA   GLN  60           HA       GLN  60 -27.859   2.707   2.707
  484   1HB   GLN  60           HB2      GLN  60 -27.570   0.242   0.242
  485   2HB   GLN  60           HB1      GLN  60 -28.794  -0.083  -0.083
  486   1HG   GLN  60           HG2      GLN  60 -27.043   1.310   1.310
  487   2HG   GLN  60           HG1      GLN  60 -25.906   0.674   0.674
  488   1HE2  GLN  60          HE22      GLN  60 -27.302  -2.765  -2.765
  489   2HE2  GLN  60          HE21      GLN  60 -27.558  -1.849  -1.849
  490    H    GLY  61           HN       GLY  61 -29.238   0.402   0.402
  491   1HA   GLY  61           HA2      GLY  61 -30.749   0.537   0.537
  492   2HA   GLY  61           HA1      GLY  61 -31.233   2.166   2.166
  493    H    GLY  62           HN       GLY  62 -28.315   0.467   0.467
  494   1HA   GLY  62           HA2      GLY  62 -26.802   1.067   1.067
  495   2HA   GLY  62           HA1      GLY  62 -27.991   2.210   2.210
  496    H    GLN  63           HN       GLN  63 -27.007   2.315   2.315
  497    HA   GLN  63           HA       GLN  63 -26.115   5.073   5.073
  498   1HB   GLN  63           HB2      GLN  63 -26.546   3.034   3.034
  499   2HB   GLN  63           HB1      GLN  63 -25.577   4.420   4.420
  500   1HG   GLN  63           HG2      GLN  63 -28.138   4.778   4.778
  501   2HG   GLN  63           HG1      GLN  63 -28.092   4.286   4.286
  502   1HE2  GLN  63          HE22      GLN  63 -26.610   8.056   8.056
  503   2HE2  GLN  63          HE21      GLN  63 -26.638   6.864   6.864
  504    H    THR  64           HN       THR  64 -24.584   1.920   1.920
  505    HA   THR  64           HA       THR  64 -22.319   1.277   1.277
  506    HB   THR  64           HB       THR  64 -21.994   3.980   3.980
  507    HG1  THR  64           HG1      THR  64 -22.621   1.450   1.450
  508   1HG2  THR  64          HG22      THR  64 -20.315   1.475   1.475
  509   2HG2  THR  64          HG21      THR  64 -20.048   2.777   2.777
  510   3HG2  THR  64          HG23      THR  64 -19.865   3.081   3.081
  511    H    HIS  65           HN       HIS  65 -22.962   1.908   1.908
  512    HA   HIS  65           HA       HIS  65 -21.824   4.268   4.268
  513   1HB   HIS  65           HB2      HIS  65 -23.107   1.733   1.733
  514   2HB   HIS  65           HB1      HIS  65 -22.101   2.408   2.408
  515    HD1  HIS  65           HD1      HIS  65 -25.326   1.904   1.904
  516    HD2  HIS  65           HD2      HIS  65 -23.445   5.552   5.552
  517    HE1  HIS  65           HE1      HIS  65 -27.132   3.674   3.674
  518    H    GLN  66           HN       GLN  66 -20.337   3.300   3.300
  519    HA   GLN  66           HA       GLN  66 -17.863   2.325   2.325
  520   1HB   GLN  66           HB2      GLN  66 -18.442   4.074   4.074
  521   2HB   GLN  66           HB1      GLN  66 -16.790   3.548   3.548
  522   1HG   GLN  66           HG2      GLN  66 -16.835   5.536   5.536
  523   2HG   GLN  66           HG1      GLN  66 -17.436   4.435   4.435
  524   1HE2  GLN  66          HE22      GLN  66 -20.611   6.048   6.048
  525   2HE2  GLN  66          HE21      GLN  66 -19.529   4.936   4.936
  526    H    ASP  67           HN       ASP  67 -19.510   2.254   2.254
  527    HA   ASP  67           HA       ASP  67 -17.994  -0.051  -0.051
  528   1HB   ASP  67           HB2      ASP  67 -18.631   1.598   1.598
  529   2HB   ASP  67           HB1      ASP  67 -20.320   1.612   1.612
  530    HA   PRO  68           HA       PRO  68 -22.073  -2.329  -2.329
  531   1HB   PRO  68           HB2      PRO  68 -24.143  -1.031  -1.031
  532   2HB   PRO  68           HB1      PRO  68 -23.844  -0.988  -0.988
  533   1HG   PRO  68           HG2      PRO  68 -23.457   1.089   1.089
  534   2HG   PRO  68           HG1      PRO  68 -23.643   1.275   1.275
  535   1HD   PRO  68           HD2      PRO  68 -21.187   1.256   1.256
  536   2HD   PRO  68           HD1      PRO  68 -21.443   1.585   1.585
  537    H    ILE  69           HN       ILE  69 -20.710  -0.364  -0.364
  538    HA   ILE  69           HA       ILE  69 -21.657  -2.336  -2.336
  539    HB   ILE  69           HB       ILE  69 -21.555   0.535   0.535
  540   1HG1  ILE  69          HG12      ILE  69 -23.193   0.340   0.340
  541   2HG1  ILE  69          HG11      ILE  69 -22.355  -1.280  -1.280
  542   1HG2  ILE  69          HG21      ILE  69 -19.376   0.174   0.174
  543   2HG2  ILE  69          HG23      ILE  69 -20.343  -0.499  -0.499
  544   3HG2  ILE  69          HG22      ILE  69 -20.568   1.177   1.177
  545   1HD1  ILE  69          HD12      ILE  69 -23.692  -0.658  -0.658
  546   2HD1  ILE  69          HD11      ILE  69 -24.709  -1.091  -1.091
  547   3HD1  ILE  69          HD13      ILE  69 -23.460  -2.208  -2.208
  548    HA   PRO  70           HA       PRO  70 -16.808  -1.997  -1.997
  549   1HB   PRO  70           HB2      PRO  70 -15.947  -3.677  -3.677
  550   2HB   PRO  70           HB1      PRO  70 -16.251  -1.922  -1.922
  551   1HG   PRO  70           HG2      PRO  70 -18.047  -4.180  -4.180
  552   2HG   PRO  70           HG1      PRO  70 -17.571  -2.774  -2.774
  553   1HD   PRO  70           HD2      PRO  70 -19.899  -2.895  -2.895
  554   2HD   PRO  70           HD1      PRO  70 -19.019  -1.353  -1.353
  555    H    LYS  71           HN       LYS  71 -19.301  -4.292  -4.292
  556    HA   LYS  71           HA       LYS  71 -17.641  -6.597  -6.597
  557   1HB   LYS  71           HB2      LYS  71 -19.921  -7.609  -7.609
  558   2HB   LYS  71           HB1      LYS  71 -19.642  -7.011  -7.011
  559   1HG   LYS  71           HG2      LYS  71 -20.791  -4.824  -4.824
  560   2HG   LYS  71           HG1      LYS  71 -21.656  -6.290  -6.290
  561   1HD   LYS  71           HD2      LYS  71 -22.614  -5.055  -5.055
  562   2HD   LYS  71           HD1      LYS  71 -22.285  -6.742  -6.742
  563   1HE   LYS  71           HE2      LYS  71 -20.026  -5.838  -5.838
  564   2HE   LYS  71           HE1      LYS  71 -20.752  -4.249  -4.249
  565   1HZ   LYS  71           HZ2      LYS  71 -22.089  -6.549  -6.549
  566   2HZ   LYS  71           HZ1      LYS  71 -21.221  -5.351  -5.351
  567   3HZ   LYS  71           HZ3      LYS  71 -22.621  -4.936  -4.936
  568    H    GLN  72           HN       GLN  72 -19.725  -4.188  -4.188
  569    HA   GLN  72           HA       GLN  72 -18.375  -4.704  -4.704
  570   1HB   GLN  72           HB2      GLN  72 -20.945  -5.108  -5.108
  571   2HB   GLN  72           HB1      GLN  72 -19.820  -6.411  -6.411
  572   1HG   GLN  72           HG2      GLN  72 -21.727  -6.979  -6.979
  573   2HG   GLN  72           HG1      GLN  72 -20.827  -6.259  -6.259
  574   1HE2  GLN  72          HE22      GLN  72 -23.147  -3.377  -3.377
  575   2HE2  GLN  72          HE21      GLN  72 -21.550  -3.800  -3.800
  576    HA   PRO  73           HA       PRO  73 -19.695  -0.595  -0.595
  577   1HB   PRO  73           HB2      PRO  73 -20.582  -0.719  -0.719
  578   2HB   PRO  73           HB1      PRO  73 -18.853  -0.779  -0.779
  579   1HG   PRO  73           HG2      PRO  73 -20.743  -3.035  -3.035
  580   2HG   PRO  73           HG1      PRO  73 -19.092  -2.777  -2.777
  581   1HD   PRO  73           HD2      PRO  73 -19.655  -4.467  -4.467
  582   2HD   PRO  73           HD1      PRO  73 -18.161  -3.502  -3.502
  583    H    SER  74           HN       SER  74 -22.026  -2.953  -2.953
  584    HA   SER  74           HA       SER  74 -24.374  -3.007  -3.007
  585   1HB   SER  74           HB2      SER  74 -23.267  -3.083  -3.083
  586   2HB   SER  74           HB1      SER  74 -24.238  -1.733  -1.733
  587    HG   SER  74           HG       SER  74 -25.099  -4.283  -4.283
  588    H    SER  75           HN       SER  75 -23.682  -0.899  -0.899
  589    HA   SER  75           HA       SER  75 -25.865   0.879   0.879
  590   1HB   SER  75           HB2      SER  75 -25.256   1.844   1.844
  591   2HB   SER  75           HB1      SER  75 -23.586   1.541   1.541
  592    HG   SER  75           HG       SER  75 -23.540   3.579   3.579
  593    H    GLN  76           HN       GLN  76 -22.397   0.505   0.505
  594    HA   GLN  76           HA       GLN  76 -22.228   2.413   2.413
  595   1HB   GLN  76           HB2      GLN  76 -20.409   0.359   0.359
  596   2HB   GLN  76           HB1      GLN  76 -19.903   1.340   1.340
  597   1HG   GLN  76           HG2      GLN  76 -19.305   2.924   2.924
  598   2HG   GLN  76           HG1      GLN  76 -21.011   3.200   3.200
  599   1HE2  GLN  76          HE22      GLN  76 -20.897   1.490   1.490
  600   2HE2  GLN  76          HE21      GLN  76 -21.926   2.044   2.044
  601    HA   PRO  77           HA       PRO  77 -22.086  -1.584  -1.584
  602   1HB   PRO  77           HB2      PRO  77 -22.700  -3.994  -3.994
  603   2HB   PRO  77           HB1      PRO  77 -21.059  -3.286  -3.286
  604   1HG   PRO  77           HG2      PRO  77 -23.009  -3.523  -3.523
  605   2HG   PRO  77           HG1      PRO  77 -21.254  -3.359  -3.359
  606   1HD   PRO  77           HD2      PRO  77 -23.334  -1.443  -1.443
  607   2HD   PRO  77           HD1      PRO  77 -21.632  -1.188  -1.188
  608    H    ARG  78           HN       ARG  78 -24.656  -0.450  -0.450
  609    HA   ARG  78           HA       ARG  78 -26.631  -1.263  -1.263
  610   1HB   ARG  78           HB2      ARG  78 -27.905  -2.750  -2.750
  611   2HB   ARG  78           HB1      ARG  78 -26.332  -3.440  -3.440
  612   1HG   ARG  78           HG2      ARG  78 -25.416  -2.355  -2.355
  613   2HG   ARG  78           HG1      ARG  78 -27.073  -1.981  -1.981
  614   1HD   ARG  78           HD2      ARG  78 -27.666  -4.404  -4.404
  615   2HD   ARG  78           HD1      ARG  78 -25.943  -4.759  -4.759
  616    HE   ARG  78           HE       ARG  78 -26.361  -2.987  -2.987
  617   1HH1  ARG  78          HH11      ARG  78 -24.364  -5.234  -5.234
  618   2HH1  ARG  78          HH12      ARG  78 -25.041  -6.352  -6.352
  619   1HH2  ARG  78          HH21      ARG  78 -28.181  -4.864  -4.864
  620   2HH2  ARG  78          HH22      ARG  78 -27.207  -6.143  -6.143
  621    H    GLY  79           HN       GLY  79 -26.059  -0.073  -0.073
  622   1HA   GLY  79           HA2      GLY  79 -28.686   0.965   0.965
  623   2HA   GLY  79           HA1      GLY  79 -27.266   1.463   1.463
  624    H    ASP  80           HN       ASP  80 -27.417   3.660   3.660
  625    HA   ASP  80           HA       ASP  80 -28.443   5.185   5.185
  626   1HB   ASP  80           HB2      ASP  80 -27.002   5.806   5.806
  627   2HB   ASP  80           HB1      ASP  80 -27.474   7.083   7.083
  628    HA   PRO  81           HA       PRO  81 -24.825   5.605   5.605
  629   1HB   PRO  81           HB2      PRO  81 -25.178   8.143   8.143
  630   2HB   PRO  81           HB1      PRO  81 -26.105   6.743   6.743
  631   1HG   PRO  81           HG2      PRO  81 -26.844   8.830   8.830
  632   2HG   PRO  81           HG1      PRO  81 -27.817   8.154   8.154
  633   1HD   PRO  81           HD2      PRO  81 -28.136   7.347   7.347
  634   2HD   PRO  81           HD1      PRO  81 -28.291   6.214   6.214
  635    H    THR  82           HN       THR  82 -22.753   6.068   6.068
  636    HA   THR  82           HA       THR  82 -22.292   8.359   8.359
  637    HB   THR  82           HB       THR  82 -20.284   6.960   6.960
  638    HG1  THR  82           HG1      THR  82 -20.501   4.740   4.740
  639   1HG2  THR  82          HG22      THR  82 -22.392   7.090   7.090
  640   2HG2  THR  82          HG21      THR  82 -23.039   5.744   5.744
  641   3HG2  THR  82          HG23      THR  82 -21.649   5.496   5.496
  642    H    GLY  83           HN       GLY  83 -21.065   6.588   6.588
  643   1HA   GLY  83           HA2      GLY  83 -20.104   8.749   8.749
  644   2HA   GLY  83           HA1      GLY  83 -18.879   8.394   8.394
  645    HA   PRO  84           HA       PRO  84 -17.820   5.048   5.048
  646   1HB   PRO  84           HB2      PRO  84 -15.475   4.394   4.394
  647   2HB   PRO  84           HB1      PRO  84 -15.678   5.874   5.874
  648   1HG   PRO  84           HG2      PRO  84 -15.398   5.590   5.590
  649   2HG   PRO  84           HG1      PRO  84 -15.405   7.066   7.066
  650   1HD   PRO  84           HD2      PRO  84 -17.634   5.674   5.674
  651   2HD   PRO  84           HD1      PRO  84 -17.612   7.369   7.369
  652    H    LYS  85           HN       LYS  85 -19.526   4.528   4.528
  653    HA   LYS  85           HA       LYS  85 -18.658   1.930   1.930
  654   1HB   LYS  85           HB2      LYS  85 -20.778   2.158   2.158
  655   2HB   LYS  85           HB1      LYS  85 -19.819   3.644   3.644
  656   1HG   LYS  85           HG2      LYS  85 -21.334   4.816   4.816
  657   2HG   LYS  85           HG1      LYS  85 -21.752   3.450   3.450
  658   1HD   LYS  85           HD2      LYS  85 -22.856   2.762   2.762
  659   2HD   LYS  85           HD1      LYS  85 -23.108   4.483   4.483
  660   1HE   LYS  85           HE2      LYS  85 -24.403   4.082   4.082
  661   2HE   LYS  85           HE1      LYS  85 -23.641   2.499   2.499
  662   1HZ   LYS  85           HZ3      LYS  85 -25.207   3.112   3.112
  663   2HZ   LYS  85           HZ2      LYS  85 -25.937   2.481   2.481
  664   3HZ   LYS  85           HZ1      LYS  85 -24.723   1.601   1.601
  665    H    GLU  86           HN       GLU  86 -20.548   3.112   3.112
  666    HA   GLU  86           HA       GLU  86 -22.312   0.852   0.852
  667   1HB   GLU  86           HB2      GLU  86 -21.350   2.984   2.984
  668   2HB   GLU  86           HB1      GLU  86 -22.881   2.072   2.072
  669   1HG   GLU  86           HG2      GLU  86 -23.357   3.048   3.048
  670   2HG   GLU  86           HG1      GLU  86 -22.043   4.184   4.184