*HEADER    METAL BINDING PROTEIN                   12-JAN-15   2MXP              
*TITLE     SOLUTION STRUCTURE OF NDP52 UBIQUITIN-BINDING ZINC FINGER             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING PROTEIN  
*COMPND   3 2;                                                                   
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: C-TERMINAL, UNP RESIDUES 414-446;                          
*COMPND   6 SYNONYM: ANTIGEN NUCLEAR DOT 52 KDA PROTEIN, NUCLEAR DOMAIN 10       
*COMPND   7 PROTEIN NDP52, NUCLEAR DOMAIN 10 PROTEIN 52, NUCLEAR DOT PROTEIN 52; 
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: CALCOCO2, NDP52;                                               
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET32A                                     
*KEYWDS    ZINC FINGER, NDP52, UBIQUITIN-BINDING, C2H2-TYPE, METAL BINDING       
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    L.PAN, X.XIE                                                          
*REVDAT   1   11-NOV-15 2MXP    0                                                


assign (segid A and resid 49 and name HA )(segid A and resid 49 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 49 and name HA )(segid A and resid 49 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 49 and name HB# )(segid A and resid 49 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 50 and name HA )(segid A and resid 50 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 50 and name HA )(segid A and resid 50 and name HE# ) 3.3 1.5 1.5
assign (segid A and resid 50 and name HA )(segid A and resid 50 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 50 and name HB# )(segid A and resid 50 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 50 and name HE# )(segid A and resid 50 and name HG# ) 3.3 1.5 2.5
assign (segid A and resid 50 and name HE# )(segid A and resid 53 and name HD# ) 5.9 4.1 3.9
assign (segid A and resid 51 and name HA )(segid A and resid 51 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 51 and name HA )(segid A and resid 51 and name HG# ) 5 3.2 1.0
assign (segid A and resid 51 and name HA )(segid A and resid 52 and name HB# ) 5 3.2 1.0
assign (segid A and resid 51 and name HA )(segid A and resid 52 and name HD# ) 5 3.2 1.0
assign (segid A and resid 51 and name HA )(segid A and resid 52 and name HG# ) 5 3.2 1.0
assign (segid A and resid 51 and name HB# )(segid A and resid 51 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 51 and name HB# )(segid A and resid 52 and name HD# ) 5 3.2 2.0
assign (segid A and resid 51 and name HG# )(segid A and resid 52 and name HD# ) 5 3.2 2.0
assign (segid A and resid 52 and name HA )(segid A and resid 52 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 52 and name HA )(segid A and resid 52 and name HD# ) 3.3 1.5 1.0
assign (segid A and resid 52 and name HA )(segid A and resid 52 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 52 and name HA )(segid A and resid 53 and name HB# ) 5 3.2 1.0
assign (segid A and resid 52 and name HA )(segid A and resid 53 and name HD# ) 5 3.2 2.4
assign (segid A and resid 52 and name HA )(segid A and resid 66 and name HB# ) 5.4 3.6 1.5
assign (segid A and resid 52 and name HB# )(segid A and resid 52 and name HD# ) 3.3 1.5 2.0
assign (segid A and resid 52 and name HB# )(segid A and resid 52 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 52 and name HB# )(segid A and resid 53 and name HB# ) 5 3.2 2.0
assign (segid A and resid 52 and name HB# )(segid A and resid 66 and name HB# ) 5 3.2 2.5
assign (segid A and resid 52 and name HD# )(segid A and resid 52 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 52 and name HG# )(segid A and resid 66 and name HB# ) 5 3.2 2.5
assign (segid A and resid 53 and name HA )(segid A and resid 53 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 53 and name HA )(segid A and resid 53 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 53 and name HA )(segid A and resid 53 and name HG ) 3.3 1.5 0.0
assign (segid A and resid 53 and name HA )(segid A and resid 66 and name HB# ) 3.3 1.5 1.5
assign (segid A and resid 53 and name HB# )(segid A and resid 53 and name HD# ) 2.7 0.9 3.4
assign (segid A and resid 53 and name HB# )(segid A and resid 54 and name HA ) 5 3.2 1.0
assign (segid A and resid 53 and name HB# )(segid A and resid 66 and name HB# ) 3.3 1.5 2.5
assign (segid A and resid 53 and name HD# )(segid A and resid 53 and name HG ) 2.7 0.9 1.7
assign (segid A and resid 53 and name HD# )(segid A and resid 66 and name HB# ) 3.3 1.5 3.9
assign (segid A and resid 54 and name HA )(segid A and resid 54 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 54 and name HA )(segid A and resid 63 and name HG2# ) 3.3 1.5 1.5
assign (segid A and resid 54 and name HA )(segid A and resid 65 and name HA ) 2.7 0.9 0.0
assign (segid A and resid 54 and name HA )(segid A and resid 66 and name HA ) 2.7 0.9 0.0
assign (segid A and resid 54 and name HA )(segid A and resid 66 and name HB# ) 3.3 1.5 1.5
assign (segid A and resid 54 and name HB# )(segid A and resid 63 and name HA ) 5 3.2 1.0
assign (segid A and resid 54 and name HB# )(segid A and resid 63 and name HB ) 5 3.2 1.0
assign (segid A and resid 54 and name HB# )(segid A and resid 63 and name HD1# ) 5 3.2 2.5
assign (segid A and resid 54 and name HB# )(segid A and resid 63 and name HG1# ) 5 3.2 2.0
assign (segid A and resid 54 and name HB# )(segid A and resid 63 and name HG2# ) 2.7 0.9 2.5
assign (segid A and resid 54 and name HB# )(segid A and resid 65 and name HA ) 3.3 1.5 1.0
assign (segid A and resid 55 and name HA )(segid A and resid 55 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 55 and name HB# )(segid A and resid 64 and name HB# ) 3.3 1.5 2.0
assign (segid A and resid 56 and name HA )(segid A and resid 56 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 56 and name HA )(segid A and resid 57 and name HB# ) 5 3.2 1.0
assign (segid A and resid 56 and name HA )(segid A and resid 63 and name HA ) 2.7 0.9 0.0
assign (segid A and resid 56 and name HA )(segid A and resid 63 and name HB ) 5 3.2 0.0
assign (segid A and resid 56 and name HA )(segid A and resid 63 and name HD1# ) 5 3.2 1.5
assign (segid A and resid 56 and name HA )(segid A and resid 63 and name HG1# ) 5 3.2 1.0
assign (segid A and resid 56 and name HA )(segid A and resid 63 and name HG2# ) 3.3 1.5 1.5
assign (segid A and resid 56 and name HB# )(segid A and resid 61 and name HA ) 5 3.2 1.0
assign (segid A and resid 56 and name HB# )(segid A and resid 63 and name HA ) 5 3.2 1.0
assign (segid A and resid 56 and name HB# )(segid A and resid 63 and name HD1# ) 5 3.2 2.5
assign (segid A and resid 56 and name HB# )(segid A and resid 63 and name HG1# ) 5 3.2 2.0
assign (segid A and resid 56 and name HB# )(segid A and resid 63 and name HG2# ) 5 3.2 2.5
assign (segid A and resid 57 and name HA )(segid A and resid 57 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 57 and name HA )(segid A and resid 58 and name HB# ) 5 3.2 1.0
assign (segid A and resid 57 and name HA )(segid A and resid 58 and name HD# ) 2.7 0.9 1.0
assign (segid A and resid 57 and name HA )(segid A and resid 58 and name HG# ) 5 3.2 1.0
assign (segid A and resid 57 and name HA )(segid A and resid 76 and name HG# ) 3.3 1.5 2.4
assign (segid A and resid 57 and name HB# )(segid A and resid 58 and name HD# ) 5 3.2 2.0
assign (segid A and resid 57 and name HB# )(segid A and resid 61 and name HA ) 5 3.2 1.0
assign (segid A and resid 57 and name HB# )(segid A and resid 62 and name HB# ) 3.3 1.5 2.0
assign (segid A and resid 57 and name HB# )(segid A and resid 76 and name HG# ) 3.3 1.5 3.4
assign (segid A and resid 58 and name HA )(segid A and resid 58 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 58 and name HA )(segid A and resid 58 and name HD# ) 5 3.2 1.0
assign (segid A and resid 58 and name HA )(segid A and resid 58 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 58 and name HA )(segid A and resid 59 and name HA ) 5 3.2 0.0
assign (segid A and resid 58 and name HA )(segid A and resid 59 and name HD1# ) 5.9 4.1 1.5
assign (segid A and resid 58 and name HB# )(segid A and resid 58 and name HD# ) 5 3.2 2.0
assign (segid A and resid 58 and name HB# )(segid A and resid 58 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 58 and name HB# )(segid A and resid 59 and name HD1# ) 3.3 1.5 2.5
assign (segid A and resid 58 and name HB# )(segid A and resid 59 and name HG1# ) 5 3.2 2.0
assign (segid A and resid 58 and name HD# )(segid A and resid 58 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 58 and name HD# )(segid A and resid 59 and name HD1# ) 5 3.2 2.5
assign (segid A and resid 58 and name HD# )(segid A and resid 76 and name HG# ) 3.3 1.5 3.4
assign (segid A and resid 58 and name HG# )(segid A and resid 59 and name HB ) 5 3.2 1.0
assign (segid A and resid 58 and name HG# )(segid A and resid 59 and name HD1# ) 3.3 1.5 2.5
assign (segid A and resid 58 and name HG# )(segid A and resid 59 and name HG1# ) 5 3.2 2.0
assign (segid A and resid 58 and name HG# )(segid A and resid 76 and name HG# ) 3.3 1.5 3.4
assign (segid A and resid 59 and name HA )(segid A and resid 59 and name HB ) 3.3 1.5 0.0
assign (segid A and resid 59 and name HA )(segid A and resid 59 and name HD1# ) 2.7 0.9 1.5
assign (segid A and resid 59 and name HA )(segid A and resid 59 and name HG1# ) 3.3 1.5 1.0
assign (segid A and resid 59 and name HA )(segid A and resid 59 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 59 and name HA )(segid A and resid 60 and name HA ) 5 3.2 0.0
assign (segid A and resid 59 and name HB )(segid A and resid 59 and name HD1# ) 2.7 0.9 1.5
assign (segid A and resid 59 and name HB )(segid A and resid 59 and name HG1# ) 2.7 0.9 1.0
assign (segid A and resid 59 and name HB )(segid A and resid 59 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 59 and name HB )(segid A and resid 60 and name HA ) 5 3.2 0.0
assign (segid A and resid 59 and name HB )(segid A and resid 60 and name HB# ) 5 3.2 1.0
assign (segid A and resid 59 and name HB )(segid A and resid 76 and name HG# ) 5 3.2 2.4
assign (segid A and resid 59 and name HB )(segid A and resid 79 and name HB# ) 5 3.2 1.0
assign (segid A and resid 59 and name HD1# )(segid A and resid 59 and name HG1# ) 2.7 0.9 2.5
assign (segid A and resid 59 and name HD1# )(segid A and resid 59 and name HG2# ) 2.7 0.9 3.0
assign (segid A and resid 59 and name HD1# )(segid A and resid 76 and name HA ) 3.3 1.5 1.5
assign (segid A and resid 59 and name HD1# )(segid A and resid 76 and name HG# ) 2.7 0.9 3.9
assign (segid A and resid 59 and name HD1# )(segid A and resid 79 and name HA ) 3.3 1.5 1.5
assign (segid A and resid 59 and name HD1# )(segid A and resid 79 and name HB# ) 3.3 1.5 2.5
assign (segid A and resid 59 and name HD1# )(segid A and resid 80 and name HA ) 5 3.2 1.5
assign (segid A and resid 59 and name HG1# )(segid A and resid 59 and name HG2# ) 2.7 0.9 2.5
assign (segid A and resid 59 and name HG1# )(segid A and resid 76 and name HG# ) 2.7 0.9 3.4
assign (segid A and resid 59 and name HG1# )(segid A and resid 79 and name HA ) 5 3.2 1.0
assign (segid A and resid 59 and name HG1# )(segid A and resid 79 and name HB# ) 5 3.2 2.0
assign (segid A and resid 59 and name HG2# )(segid A and resid 60 and name HA ) 3.3 1.5 1.5
assign (segid A and resid 59 and name HG2# )(segid A and resid 60 and name HB# ) 3.3 1.5 2.5
assign (segid A and resid 59 and name HG2# )(segid A and resid 79 and name HA ) 5 3.2 1.5
assign (segid A and resid 59 and name HG2# )(segid A and resid 79 and name HB# ) 3.3 1.5 2.5
assign (segid A and resid 60 and name HA )(segid A and resid 60 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 60 and name HA )(segid A and resid 61 and name HB# ) 5 3.2 1.0
assign (segid A and resid 61 and name HA )(segid A and resid 61 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 62 and name HA )(segid A and resid 62 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 62 and name HA )(segid A and resid 62 and name HD# ) 3.3 1.5 1.0
assign (segid A and resid 62 and name HA )(segid A and resid 62 and name HE# ) 5 3.2 1.0
assign (segid A and resid 62 and name HA )(segid A and resid 62 and name HG# ) 2.7 0.9 1.0
assign (segid A and resid 62 and name HA )(segid A and resid 63 and name HA ) 5 3.2 0.0
assign (segid A and resid 62 and name HA )(segid A and resid 63 and name HB ) 5 3.2 0.0
assign (segid A and resid 62 and name HA )(segid A and resid 63 and name HD1# ) 5 3.2 1.5
assign (segid A and resid 62 and name HA )(segid A and resid 63 and name HG1# ) 5 3.2 1.0
assign (segid A and resid 62 and name HA )(segid A and resid 63 and name HG2# ) 5 3.2 1.5
assign (segid A and resid 62 and name HB# )(segid A and resid 62 and name HD# ) 2.7 0.9 2.0
assign (segid A and resid 62 and name HB# )(segid A and resid 62 and name HE# ) 3.3 1.5 2.0
assign (segid A and resid 62 and name HB# )(segid A and resid 62 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 62 and name HD# )(segid A and resid 62 and name HE# ) 3.3 1.5 2.0
assign (segid A and resid 62 and name HD# )(segid A and resid 62 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 62 and name HE# )(segid A and resid 62 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 63 and name HA )(segid A and resid 63 and name HB ) 3.3 1.5 0.0
assign (segid A and resid 63 and name HA )(segid A and resid 63 and name HD1# ) 2.7 0.9 1.5
assign (segid A and resid 63 and name HA )(segid A and resid 63 and name HG1# ) 3.3 1.5 1.0
assign (segid A and resid 63 and name HA )(segid A and resid 63 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 63 and name HB )(segid A and resid 63 and name HD1# ) 2.7 0.9 1.5
assign (segid A and resid 63 and name HB )(segid A and resid 63 and name HG1# ) 2.7 0.9 1.0
assign (segid A and resid 63 and name HB )(segid A and resid 63 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 63 and name HD1# )(segid A and resid 63 and name HG1# ) 2.7 0.9 2.5
assign (segid A and resid 63 and name HG1# )(segid A and resid 63 and name HG2# ) 2.7 0.9 2.5
assign (segid A and resid 63 and name HG2# )(segid A and resid 65 and name HA ) 5 3.2 1.5
assign (segid A and resid 63 and name HG2# )(segid A and resid 65 and name HD# ) 5 3.2 2.5
assign (segid A and resid 64 and name HA )(segid A and resid 64 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 64 and name HA )(segid A and resid 65 and name HA ) 5 3.2 0.0
assign (segid A and resid 64 and name HA )(segid A and resid 65 and name HB# ) 5 3.2 1.0
assign (segid A and resid 64 and name HA )(segid A and resid 65 and name HD# ) 2.7 0.9 1.0
assign (segid A and resid 64 and name HA )(segid A and resid 65 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 64 and name HB# )(segid A and resid 65 and name HD# ) 3.3 1.5 2.0
assign (segid A and resid 64 and name HB# )(segid A and resid 68 and name HB# ) 3.3 1.5 2.0
assign (segid A and resid 64 and name HB# )(segid A and resid 72 and name HB# ) 5 3.2 2.0
assign (segid A and resid 65 and name HA )(segid A and resid 65 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 65 and name HA )(segid A and resid 65 and name HD# ) 3.3 1.5 1.0
assign (segid A and resid 65 and name HA )(segid A and resid 65 and name HG# ) 2.7 0.9 1.0
assign (segid A and resid 65 and name HA )(segid A and resid 66 and name HA ) 5 3.2 0.0
assign (segid A and resid 65 and name HA )(segid A and resid 66 and name HB# ) 5 3.2 1.5
assign (segid A and resid 65 and name HB# )(segid A and resid 65 and name HD# ) 3.3 1.5 2.0
assign (segid A and resid 65 and name HB# )(segid A and resid 65 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 65 and name HB# )(segid A and resid 66 and name HB# ) 5 3.2 2.5
assign (segid A and resid 65 and name HB# )(segid A and resid 67 and name HG2# ) 3.3 1.5 2.5
assign (segid A and resid 65 and name HD# )(segid A and resid 65 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 65 and name HD# )(segid A and resid 68 and name HB# ) 5 3.2 2.0
assign (segid A and resid 65 and name HD# )(segid A and resid 68 and name HG# ) 5 3.2 2.0
assign (segid A and resid 66 and name HA )(segid A and resid 66 and name HB# ) 2.7 0.9 1.5
assign (segid A and resid 66 and name HA )(segid A and resid 67 and name HG2# ) 5 3.2 1.5
assign (segid A and resid 66 and name HB# )(segid A and resid 67 and name HA ) 5 3.2 1.5
assign (segid A and resid 66 and name HB# )(segid A and resid 67 and name HB ) 5 3.2 1.5
assign (segid A and resid 67 and name HA )(segid A and resid 67 and name HB ) 2.7 0.9 0.0
assign (segid A and resid 67 and name HA )(segid A and resid 67 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 67 and name HA )(segid A and resid 68 and name HA ) 5 3.2 0.0
assign (segid A and resid 67 and name HB )(segid A and resid 67 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 67 and name HB )(segid A and resid 68 and name HA ) 5 3.2 0.0
assign (segid A and resid 67 and name HB )(segid A and resid 68 and name HB# ) 5 3.2 1.0
assign (segid A and resid 67 and name HB )(segid A and resid 68 and name HG# ) 5 3.2 1.0
assign (segid A and resid 67 and name HG2# )(segid A and resid 68 and name HA ) 5 3.2 1.5
assign (segid A and resid 67 and name HG2# )(segid A and resid 68 and name HG# ) 5 3.2 2.5
assign (segid A and resid 68 and name HA )(segid A and resid 68 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 68 and name HA )(segid A and resid 68 and name HG# ) 2.7 0.9 1.0
assign (segid A and resid 68 and name HA )(segid A and resid 71 and name HB ) 5 3.2 0.0
assign (segid A and resid 68 and name HA )(segid A and resid 71 and name HD1# ) 3.3 1.5 1.5
assign (segid A and resid 68 and name HA )(segid A and resid 71 and name HG1# ) 5 3.2 1.0
assign (segid A and resid 68 and name HA )(segid A and resid 71 and name HG2# ) 5 3.2 1.5
assign (segid A and resid 68 and name HB# )(segid A and resid 68 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 68 and name HB# )(segid A and resid 71 and name HB ) 5 3.2 1.0
assign (segid A and resid 68 and name HB# )(segid A and resid 71 and name HD1# ) 3.3 1.5 2.5
assign (segid A and resid 68 and name HB# )(segid A and resid 71 and name HG1# ) 5 3.2 2.0
assign (segid A and resid 68 and name HB# )(segid A and resid 71 and name HG2# ) 3.3 1.5 2.5
assign (segid A and resid 68 and name HG# )(segid A and resid 71 and name HB ) 5 3.2 1.0
assign (segid A and resid 68 and name HG# )(segid A and resid 71 and name HD1# ) 3.3 1.5 2.5
assign (segid A and resid 68 and name HG# )(segid A and resid 71 and name HG1# ) 5 3.2 2.0
assign (segid A and resid 68 and name HG# )(segid A and resid 71 and name HG2# ) 5 3.2 2.5
assign (segid A and resid 69 and name HA )(segid A and resid 69 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 69 and name HA )(segid A and resid 69 and name HD# ) 3.3 1.5 1.0
assign (segid A and resid 69 and name HA )(segid A and resid 69 and name HE# ) 5.9 4.1 1.0
assign (segid A and resid 69 and name HA )(segid A and resid 69 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 69 and name HA )(segid A and resid 72 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 69 and name HB# )(segid A and resid 69 and name HD# ) 2.7 0.9 2.0
assign (segid A and resid 69 and name HB# )(segid A and resid 69 and name HE# ) 5.9 4.1 2.0
assign (segid A and resid 69 and name HB# )(segid A and resid 69 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 69 and name HD# )(segid A and resid 69 and name HE# ) 3.3 1.5 2.0
assign (segid A and resid 69 and name HD# )(segid A and resid 69 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 69 and name HE# )(segid A and resid 69 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 69 and name HE# )(segid A and resid 73 and name HG# ) 5 3.2 2.0
assign (segid A and resid 69 and name HG# )(segid A and resid 70 and name HA ) 5 3.2 1.0
assign (segid A and resid 69 and name HG# )(segid A and resid 73 and name HG# ) 3.3 1.5 2.0
assign (segid A and resid 70 and name HA )(segid A and resid 70 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 70 and name HA )(segid A and resid 70 and name HG# ) 2.7 0.9 1.0
assign (segid A and resid 70 and name HA )(segid A and resid 73 and name HB# ) 5 3.2 1.0
assign (segid A and resid 70 and name HA )(segid A and resid 73 and name HG# ) 3.3 1.5 1.0
assign (segid A and resid 70 and name HB# )(segid A and resid 70 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 70 and name HG# )(segid A and resid 71 and name HA ) 5 3.2 1.0
assign (segid A and resid 70 and name HG# )(segid A and resid 71 and name HG1# ) 5 3.2 2.0
assign (segid A and resid 71 and name HA )(segid A and resid 71 and name HB ) 3.3 1.5 0.0
assign (segid A and resid 71 and name HA )(segid A and resid 71 and name HD1# ) 3.3 1.5 1.5
assign (segid A and resid 71 and name HA )(segid A and resid 71 and name HG1# ) 3.3 1.5 1.0
assign (segid A and resid 71 and name HA )(segid A and resid 71 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 71 and name HA )(segid A and resid 74 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 71 and name HB )(segid A and resid 71 and name HD1# ) 2.7 0.9 1.5
assign (segid A and resid 71 and name HB )(segid A and resid 71 and name HG1# ) 3.3 1.5 1.0
assign (segid A and resid 71 and name HB )(segid A and resid 71 and name HG2# ) 2.7 0.9 1.5
assign (segid A and resid 71 and name HD1# )(segid A and resid 71 and name HG1# ) 2.7 0.9 2.5
assign (segid A and resid 71 and name HD1# )(segid A and resid 71 and name HG2# ) 2.7 0.9 3.0
assign (segid A and resid 71 and name HG1# )(segid A and resid 71 and name HG2# ) 2.7 0.9 2.5
assign (segid A and resid 71 and name HG2# )(segid A and resid 72 and name HA ) 5 3.2 1.5
assign (segid A and resid 71 and name HG2# )(segid A and resid 74 and name HB# ) 5 3.2 2.5
assign (segid A and resid 71 and name HG2# )(segid A and resid 75 and name HB# ) 5 3.2 2.5
assign (segid A and resid 72 and name HA )(segid A and resid 72 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 72 and name HA )(segid A and resid 75 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 72 and name HB# )(segid A and resid 75 and name HB# ) 5 3.2 2.0
assign (segid A and resid 73 and name HA )(segid A and resid 73 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 73 and name HA )(segid A and resid 73 and name HG# ) 2.7 0.9 1.0
assign (segid A and resid 73 and name HA )(segid A and resid 76 and name HB ) 3.3 1.5 0.0
assign (segid A and resid 73 and name HA )(segid A and resid 76 and name HG# ) 3.3 1.5 2.4
assign (segid A and resid 73 and name HB# )(segid A and resid 73 and name HG# ) 2.7 0.9 2.0
assign (segid A and resid 74 and name HA )(segid A and resid 74 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 74 and name HA )(segid A and resid 77 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 75 and name HA )(segid A and resid 75 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 75 and name HA )(segid A and resid 78 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 76 and name HA )(segid A and resid 76 and name HB ) 3.3 1.5 0.0
assign (segid A and resid 76 and name HA )(segid A and resid 76 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 76 and name HA )(segid A and resid 79 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 76 and name HB )(segid A and resid 76 and name HG# ) 2.7 0.9 1.7
assign (segid A and resid 76 and name HG# )(segid A and resid 77 and name HA ) 3.3 1.5 2.4
assign (segid A and resid 76 and name HG# )(segid A and resid 77 and name HB# ) 3.3 1.5 3.4
assign (segid A and resid 76 and name HG# )(segid A and resid 79 and name HB# ) 5 3.2 3.4
assign (segid A and resid 77 and name HA )(segid A and resid 77 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 77 and name HA )(segid A and resid 80 and name HB# ) 3.3 1.5 1.0
assign (segid A and resid 77 and name HB# )(segid A and resid 78 and name HA ) 5 3.2 1.0
assign (segid A and resid 77 and name HB# )(segid A and resid 81 and name HD# ) 5 3.2 3.4
assign (segid A and resid 78 and name HA )(segid A and resid 78 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 78 and name HA )(segid A and resid 81 and name HB# ) 5 3.2 1.0
assign (segid A and resid 78 and name HA )(segid A and resid 81 and name HD# ) 2.7 0.9 2.4
assign (segid A and resid 78 and name HA )(segid A and resid 81 and name HG ) 2.7 0.9 0.0
assign (segid A and resid 78 and name HB# )(segid A and resid 81 and name HD# ) 5 3.2 3.4
assign (segid A and resid 78 and name HB# )(segid A and resid 81 and name HG ) 5 3.2 1.0
assign (segid A and resid 79 and name HA )(segid A and resid 79 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 79 and name HB# )(segid A and resid 80 and name HA ) 5 3.2 1.0
assign (segid A and resid 80 and name HA )(segid A and resid 80 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 80 and name HA )(segid A and resid 81 and name HD# ) 5 3.2 2.4
assign (segid A and resid 80 and name HA )(segid A and resid 81 and name HG ) 5 3.2 0.0
assign (segid A and resid 80 and name HB# )(segid A and resid 81 and name HD# ) 5 3.2 3.4
assign (segid A and resid 81 and name HA )(segid A and resid 81 and name HB# ) 2.7 0.9 1.0
assign (segid A and resid 81 and name HA )(segid A and resid 81 and name HD# ) 2.7 0.9 1.7
assign (segid A and resid 81 and name HA )(segid A and resid 81 and name HG ) 2.7 0.9 0.0
assign (segid A and resid 81 and name HB# )(segid A and resid 81 and name HD# ) 2.7 0.9 3.4
assign (segid A and resid 81 and name HB# )(segid A and resid 81 and name HG ) 2.7 0.9 1.0
assign (segid A and resid 81 and name HD# )(segid A and resid 81 and name HG ) 2.7 0.9 1.7
assign (segid A and resid 49 and name HA )(segid A and resid 49 and name HE2# ) 5 3.2 1.0
assign (segid A and resid 49 and name HA )(segid A and resid 49 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 49 and name HA )(segid A and resid 50 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 49 and name HB# )(segid A and resid 49 and name HE2# ) 5 3.2 2.0
assign (segid A and resid 49 and name HB# )(segid A and resid 49 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 49 and name HE2# )(segid A and resid 49 and name HG# ) 3.5 1.7 2.0
assign (segid A and resid 49 and name HE2# )(segid A and resid 49 and name HN ) 5 3.2 1.0
assign (segid A and resid 49 and name HG# )(segid A and resid 49 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 50 and name HA )(segid A and resid 50 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 50 and name HA )(segid A and resid 51 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 50 and name HB# )(segid A and resid 50 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 50 and name HB# )(segid A and resid 51 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 50 and name HG# )(segid A and resid 50 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 50 and name HG# )(segid A and resid 51 and name HN ) 5 3.2 1.0
assign (segid A and resid 50 and name HN )(segid A and resid 51 and name HB# ) 5 3.2 1.0
assign (segid A and resid 50 and name HN )(segid A and resid 51 and name HG# ) 5 3.2 1.0
assign (segid A and resid 50 and name HN )(segid A and resid 51 and name HN ) 5 3.2 0.0
assign (segid A and resid 51 and name HA )(segid A and resid 51 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 51 and name HB# )(segid A and resid 51 and name HE2# ) 5 3.2 2.0
assign (segid A and resid 51 and name HB# )(segid A and resid 51 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 51 and name HB# )(segid A and resid 54 and name HN ) 5 3.2 1.0
assign (segid A and resid 51 and name HE2# )(segid A and resid 51 and name HG# ) 3.5 1.7 2.0
assign (segid A and resid 51 and name HG# )(segid A and resid 51 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 51 and name HN )(segid A and resid 52 and name HD# ) 5 3.2 1.0
assign (segid A and resid 52 and name HA )(segid A and resid 53 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 52 and name HB# )(segid A and resid 53 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 52 and name HB# )(segid A and resid 54 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 52 and name HD# )(segid A and resid 53 and name HN ) 5 3.2 1.0
assign (segid A and resid 52 and name HG# )(segid A and resid 53 and name HN ) 5 3.2 1.0
assign (segid A and resid 52 and name HG# )(segid A and resid 54 and name HN ) 5 3.2 1.0
assign (segid A and resid 53 and name HA )(segid A and resid 53 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 53 and name HA )(segid A and resid 54 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 53 and name HA )(segid A and resid 66 and name HN ) 5 3.2 0.0
assign (segid A and resid 53 and name HB# )(segid A and resid 53 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 53 and name HB# )(segid A and resid 54 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 53 and name HD# )(segid A and resid 53 and name HN ) 3.5 1.7 1.7
assign (segid A and resid 53 and name HD# )(segid A and resid 54 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 53 and name HD# )(segid A and resid 66 and name HN ) 5 3.2 2.4
assign (segid A and resid 53 and name HG )(segid A and resid 66 and name HN ) 5 3.2 0.0
assign (segid A and resid 53 and name HN )(segid A and resid 54 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 54 and name HA )(segid A and resid 54 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 54 and name HA )(segid A and resid 55 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 54 and name HA )(segid A and resid 64 and name HN ) 5 3.2 0.0
assign (segid A and resid 54 and name HA )(segid A and resid 66 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 54 and name HB# )(segid A and resid 54 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 54 and name HB# )(segid A and resid 55 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 54 and name HB# )(segid A and resid 56 and name HN ) 5 3.2 1.0
assign (segid A and resid 54 and name HB# )(segid A and resid 66 and name HN ) 5 3.2 1.0
assign (segid A and resid 54 and name HN )(segid A and resid 55 and name HN ) 5 3.2 0.0
assign (segid A and resid 54 and name HN )(segid A and resid 66 and name HA ) 5 3.2 0.0
assign (segid A and resid 54 and name HN )(segid A and resid 66 and name HB# ) 5 3.2 1.5
assign (segid A and resid 55 and name HA )(segid A and resid 55 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 55 and name HA )(segid A and resid 56 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 55 and name HA )(segid A and resid 64 and name HN ) 5 3.2 0.0
assign (segid A and resid 55 and name HB# )(segid A and resid 55 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 55 and name HB# )(segid A and resid 56 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 55 and name HB# )(segid A and resid 64 and name HN ) 5 3.2 1.0
assign (segid A and resid 55 and name HD# )(segid A and resid 55 and name HN ) 3.5 1.7 2.0
assign (segid A and resid 55 and name HD# )(segid A and resid 56 and name HN ) 5 3.2 2.0
assign (segid A and resid 55 and name HD# )(segid A and resid 64 and name HN ) 5 3.2 2.0
assign (segid A and resid 55 and name HD# )(segid A and resid 66 and name HN ) 5 3.2 2.0
assign (segid A and resid 55 and name HD# )(segid A and resid 68 and name HN ) 5 3.2 2.0
assign (segid A and resid 55 and name HD# )(segid A and resid 69 and name HN ) 5 3.2 2.0
assign (segid A and resid 55 and name HD# )(segid A and resid 72 and name HN ) 5 3.2 2.0
assign (segid A and resid 55 and name HE# )(segid A and resid 55 and name HN ) 5 3.2 2.0
assign (segid A and resid 55 and name HE# )(segid A and resid 69 and name HN ) 3.5 1.7 2.0
assign (segid A and resid 55 and name HE# )(segid A and resid 72 and name HN ) 5 3.2 2.0
assign (segid A and resid 55 and name HE# )(segid A and resid 73 and name HN ) 5 3.2 2.0
assign (segid A and resid 55 and name HN )(segid A and resid 56 and name HN ) 5 3.2 0.0
assign (segid A and resid 55 and name HN )(segid A and resid 63 and name HA ) 5 3.2 0.0
assign (segid A and resid 55 and name HN )(segid A and resid 63 and name HG2# ) 3.5 1.7 1.5
assign (segid A and resid 55 and name HN )(segid A and resid 64 and name HB# ) 5 3.2 1.0
assign (segid A and resid 55 and name HN )(segid A and resid 64 and name HD# ) 5 3.2 2.0
assign (segid A and resid 55 and name HN )(segid A and resid 64 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 55 and name HN )(segid A and resid 65 and name HA ) 5 3.2 0.0
assign (segid A and resid 55 and name HN )(segid A and resid 66 and name HA ) 5 3.2 0.0
assign (segid A and resid 55 and name HN )(segid A and resid 66 and name HB# ) 5 3.2 1.5
assign (segid A and resid 55 and name HN )(segid A and resid 66 and name HN ) 5 3.2 0.0
assign (segid A and resid 56 and name HA )(segid A and resid 56 and name HD2# ) 5 3.2 1.0
assign (segid A and resid 56 and name HA )(segid A and resid 56 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 56 and name HA )(segid A and resid 57 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 56 and name HA )(segid A and resid 64 and name HN ) 5 3.2 0.0
assign (segid A and resid 56 and name HB# )(segid A and resid 56 and name HD2# ) 3.5 1.7 2.0
assign (segid A and resid 56 and name HB# )(segid A and resid 56 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 56 and name HB# )(segid A and resid 57 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 56 and name HB# )(segid A and resid 61 and name HN ) 5 3.2 1.0
assign (segid A and resid 56 and name HB# )(segid A and resid 64 and name HN ) 5 3.2 1.0
assign (segid A and resid 56 and name HD2# )(segid A and resid 56 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 56 and name HD2# )(segid A and resid 57 and name HN ) 5 3.2 1.0
assign (segid A and resid 56 and name HD2# )(segid A and resid 61 and name HA ) 5 3.2 1.0
assign (segid A and resid 56 and name HD2# )(segid A and resid 63 and name HB ) 5 3.2 1.0
assign (segid A and resid 56 and name HD2# )(segid A and resid 63 and name HD1# ) 5 3.2 2.5
assign (segid A and resid 56 and name HD2# )(segid A and resid 63 and name HG1# ) 5 3.2 2.0
assign (segid A and resid 56 and name HD2# )(segid A and resid 63 and name HG2# ) 5 3.2 2.5
assign (segid A and resid 56 and name HN )(segid A and resid 57 and name HN ) 5 3.2 0.0
assign (segid A and resid 56 and name HN )(segid A and resid 63 and name HG2# ) 5 3.2 1.5
assign (segid A and resid 56 and name HN )(segid A and resid 72 and name HD# ) 5 3.2 2.0
assign (segid A and resid 56 and name HN )(segid A and resid 72 and name HE# ) 5 3.2 2.0
assign (segid A and resid 57 and name HA )(segid A and resid 57 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 57 and name HA )(segid A and resid 59 and name HN ) 5 3.2 0.0
assign (segid A and resid 57 and name HA )(segid A and resid 60 and name HN ) 5 3.2 0.0
assign (segid A and resid 57 and name HA )(segid A and resid 61 and name HN ) 5 3.2 0.0
assign (segid A and resid 57 and name HB# )(segid A and resid 57 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 57 and name HB# )(segid A and resid 59 and name HN ) 5 3.2 1.0
assign (segid A and resid 57 and name HB# )(segid A and resid 60 and name HN ) 5 3.2 1.0
assign (segid A and resid 57 and name HB# )(segid A and resid 61 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 57 and name HB# )(segid A and resid 62 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 57 and name HN )(segid A and resid 58 and name HD# ) 5 3.2 1.0
assign (segid A and resid 57 and name HN )(segid A and resid 61 and name HA ) 5 3.2 0.0
assign (segid A and resid 57 and name HN )(segid A and resid 61 and name HN ) 5 3.2 0.0
assign (segid A and resid 57 and name HN )(segid A and resid 62 and name HB# ) 5 3.2 1.0
assign (segid A and resid 57 and name HN )(segid A and resid 62 and name HN ) 5 3.2 0.0
assign (segid A and resid 57 and name HN )(segid A and resid 63 and name HG2# ) 5 3.2 1.5
assign (segid A and resid 57 and name HN )(segid A and resid 64 and name HD# ) 5 3.2 2.0
assign (segid A and resid 57 and name HN )(segid A and resid 64 and name HE# ) 5 3.2 2.0
assign (segid A and resid 57 and name HN )(segid A and resid 64 and name HN ) 5 3.2 0.0
assign (segid A and resid 57 and name HN )(segid A and resid 72 and name HD# ) 5 3.2 2.0
assign (segid A and resid 57 and name HN )(segid A and resid 72 and name HE# ) 5 3.2 2.0
assign (segid A and resid 58 and name HA )(segid A and resid 59 and name HN ) 5 3.2 0.0
assign (segid A and resid 58 and name HB# )(segid A and resid 59 and name HN ) 5 3.2 1.0
assign (segid A and resid 58 and name HD# )(segid A and resid 59 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 58 and name HG# )(segid A and resid 59 and name HN ) 5 3.2 1.0
assign (segid A and resid 59 and name HA )(segid A and resid 59 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 59 and name HA )(segid A and resid 60 and name HN ) 5 3.2 0.0
assign (segid A and resid 59 and name HB )(segid A and resid 59 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 59 and name HB )(segid A and resid 60 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 59 and name HD1# )(segid A and resid 59 and name HN ) 5 3.2 1.5
assign (segid A and resid 59 and name HD1# )(segid A and resid 60 and name HN ) 5 3.2 1.5
assign (segid A and resid 59 and name HD1# )(segid A and resid 79 and name HN ) 5 3.2 1.5
assign (segid A and resid 59 and name HG1# )(segid A and resid 59 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 59 and name HG1# )(segid A and resid 60 and name HN ) 5 3.2 1.0
assign (segid A and resid 59 and name HG2# )(segid A and resid 59 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 59 and name HG2# )(segid A and resid 60 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 59 and name HG2# )(segid A and resid 61 and name HN ) 5 3.2 1.5
assign (segid A and resid 59 and name HG2# )(segid A and resid 79 and name HN ) 5 3.2 1.5
assign (segid A and resid 59 and name HN )(segid A and resid 60 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 59 and name HN )(segid A and resid 61 and name HN ) 5 3.2 0.0
assign (segid A and resid 59 and name HN )(segid A and resid 75 and name HD2 ) 5.8 4.0 0.0
assign (segid A and resid 59 and name HN )(segid A and resid 79 and name HD2 ) 5 3.2 0.0
assign (segid A and resid 60 and name HA )(segid A and resid 60 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 60 and name HA )(segid A and resid 61 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 60 and name HA )(segid A and resid 62 and name HN ) 5 3.2 0.0
assign (segid A and resid 60 and name HB# )(segid A and resid 60 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 60 and name HB# )(segid A and resid 61 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 60 and name HN )(segid A and resid 61 and name HA ) 5 3.2 0.0
assign (segid A and resid 60 and name HN )(segid A and resid 61 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 60 and name HN )(segid A and resid 75 and name HD2 ) 5 3.2 0.0
assign (segid A and resid 60 and name HN )(segid A and resid 79 and name HD2 ) 5 3.2 0.0
assign (segid A and resid 61 and name HA )(segid A and resid 61 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 61 and name HA )(segid A and resid 62 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 61 and name HB# )(segid A and resid 61 and name HN ) 3.5 1.7 0.6
assign (segid A and resid 61 and name HB# )(segid A and resid 62 and name HN ) 5 3.2 1.0
assign (segid A and resid 61 and name HN )(segid A and resid 62 and name HA ) 5 3.2 0.0
assign (segid A and resid 61 and name HN )(segid A and resid 62 and name HB# ) 5 3.2 1.0
assign (segid A and resid 62 and name HA )(segid A and resid 62 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 62 and name HA )(segid A and resid 63 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 62 and name HB# )(segid A and resid 62 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 62 and name HB# )(segid A and resid 63 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 62 and name HD# )(segid A and resid 62 and name HN ) 5 3.2 1.0
assign (segid A and resid 62 and name HD# )(segid A and resid 63 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 62 and name HE# )(segid A and resid 63 and name HN ) 5 3.2 1.0
assign (segid A and resid 62 and name HG# )(segid A and resid 62 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 62 and name HN )(segid A and resid 63 and name HN ) 5 3.2 0.0
assign (segid A and resid 62 and name HN )(segid A and resid 64 and name HE# ) 5 3.2 2.0
assign (segid A and resid 63 and name HA )(segid A and resid 63 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 63 and name HA )(segid A and resid 64 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 63 and name HB )(segid A and resid 63 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 63 and name HB )(segid A and resid 64 and name HN ) 5 3.2 0.0
assign (segid A and resid 63 and name HD1# )(segid A and resid 63 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 63 and name HD1# )(segid A and resid 64 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 63 and name HG1# )(segid A and resid 63 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 63 and name HG1# )(segid A and resid 64 and name HN ) 5 3.2 1.0
assign (segid A and resid 63 and name HG2# )(segid A and resid 63 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 63 and name HG2# )(segid A and resid 64 and name HN ) 2.9 1.1 1.5
assign (segid A and resid 63 and name HN )(segid A and resid 64 and name HE# ) 5 3.2 2.0
assign (segid A and resid 63 and name HN )(segid A and resid 64 and name HN ) 5 3.2 0.0
assign (segid A and resid 64 and name HA )(segid A and resid 64 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 64 and name HB# )(segid A and resid 64 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 64 and name HB# )(segid A and resid 68 and name HN ) 5 3.2 1.0
assign (segid A and resid 64 and name HD# )(segid A and resid 64 and name HN ) 2.9 1.1 2.0
assign (segid A and resid 64 and name HD# )(segid A and resid 75 and name HN ) 5 3.2 2.0
assign (segid A and resid 64 and name HE# )(segid A and resid 64 and name HN ) 5 3.2 2.0
assign (segid A and resid 64 and name HE# )(segid A and resid 75 and name HN ) 5 3.2 2.0
assign (segid A and resid 64 and name HN )(segid A and resid 65 and name HD# ) 5 3.2 1.0
assign (segid A and resid 64 and name HN )(segid A and resid 72 and name HD# ) 5 3.2 2.0
assign (segid A and resid 64 and name HZ )(segid A and resid 75 and name HN ) 5 3.2 0.0
assign (segid A and resid 65 and name HA )(segid A and resid 66 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 65 and name HA )(segid A and resid 67 and name HN ) 5 3.2 0.0
assign (segid A and resid 65 and name HB# )(segid A and resid 66 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 65 and name HB# )(segid A and resid 67 and name HN ) 5 3.2 1.0
assign (segid A and resid 65 and name HD# )(segid A and resid 68 and name HN ) 5 3.2 1.0
assign (segid A and resid 65 and name HG# )(segid A and resid 67 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 66 and name HA )(segid A and resid 66 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 66 and name HA )(segid A and resid 67 and name HN ) 5 3.2 0.0
assign (segid A and resid 66 and name HA )(segid A and resid 68 and name HN ) 5 3.2 0.0
assign (segid A and resid 66 and name HB# )(segid A and resid 66 and name HN ) 2.9 1.1 1.1
assign (segid A and resid 66 and name HB# )(segid A and resid 67 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 66 and name HB# )(segid A and resid 68 and name HN ) 5 3.2 1.5
assign (segid A and resid 66 and name HN )(segid A and resid 67 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 66 and name HN )(segid A and resid 68 and name HN ) 5 3.2 0.0
assign (segid A and resid 67 and name HA )(segid A and resid 67 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 67 and name HA )(segid A and resid 68 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 67 and name HA )(segid A and resid 69 and name HN ) 5 3.2 0.0
assign (segid A and resid 67 and name HB )(segid A and resid 67 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 67 and name HB )(segid A and resid 68 and name HN ) 5 3.2 0.0
assign (segid A and resid 67 and name HB )(segid A and resid 69 and name HN ) 5 3.2 0.0
assign (segid A and resid 67 and name HG2# )(segid A and resid 67 and name HN ) 2.9 1.1 1.5
assign (segid A and resid 67 and name HG2# )(segid A and resid 68 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 67 and name HN )(segid A and resid 68 and name HA ) 5 3.2 0.0
assign (segid A and resid 67 and name HN )(segid A and resid 68 and name HG# ) 5 3.2 1.0
assign (segid A and resid 67 and name HN )(segid A and resid 68 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 68 and name HA )(segid A and resid 68 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 68 and name HA )(segid A and resid 69 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 68 and name HA )(segid A and resid 70 and name HN ) 5 3.2 0.0
assign (segid A and resid 68 and name HA )(segid A and resid 71 and name HN ) 5 3.2 0.0
assign (segid A and resid 68 and name HA )(segid A and resid 72 and name HN ) 5 3.2 0.0
assign (segid A and resid 68 and name HB# )(segid A and resid 68 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 68 and name HB# )(segid A and resid 69 and name HN ) 5 3.2 1.0
assign (segid A and resid 68 and name HB# )(segid A and resid 70 and name HN ) 5 3.2 1.0
assign (segid A and resid 68 and name HB# )(segid A and resid 71 and name HN ) 5 3.2 1.0
assign (segid A and resid 68 and name HB# )(segid A and resid 72 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 68 and name HG# )(segid A and resid 68 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 68 and name HG# )(segid A and resid 69 and name HN ) 5 3.2 1.0
assign (segid A and resid 68 and name HN )(segid A and resid 69 and name HA ) 5 3.2 0.0
assign (segid A and resid 68 and name HN )(segid A and resid 69 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 68 and name HN )(segid A and resid 70 and name HN ) 5 3.2 0.0
assign (segid A and resid 68 and name HN )(segid A and resid 71 and name HD1# ) 5 3.2 1.5
assign (segid A and resid 69 and name HA )(segid A and resid 69 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 69 and name HA )(segid A and resid 70 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 69 and name HA )(segid A and resid 71 and name HN ) 5 3.2 0.0
assign (segid A and resid 69 and name HA )(segid A and resid 72 and name HN ) 5 3.2 0.0
assign (segid A and resid 69 and name HA )(segid A and resid 73 and name HN ) 5 3.2 0.0
assign (segid A and resid 69 and name HB# )(segid A and resid 69 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 69 and name HB# )(segid A and resid 70 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 69 and name HD# )(segid A and resid 69 and name HN ) 5 3.2 1.0
assign (segid A and resid 69 and name HD# )(segid A and resid 70 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 69 and name HD# )(segid A and resid 73 and name HN ) 5 3.2 1.0
assign (segid A and resid 69 and name HG# )(segid A and resid 69 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 69 and name HG# )(segid A and resid 70 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 69 and name HG# )(segid A and resid 73 and name HN ) 5 3.2 1.0
assign (segid A and resid 69 and name HN )(segid A and resid 70 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 69 and name HN )(segid A and resid 71 and name HN ) 5 3.2 0.0
assign (segid A and resid 70 and name HA )(segid A and resid 70 and name HE2# ) 5 3.2 1.0
assign (segid A and resid 70 and name HA )(segid A and resid 70 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 70 and name HA )(segid A and resid 71 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 70 and name HA )(segid A and resid 72 and name HN ) 5 3.2 0.0
assign (segid A and resid 70 and name HA )(segid A and resid 73 and name HN ) 5 3.2 0.0
assign (segid A and resid 70 and name HA )(segid A and resid 74 and name HN ) 5 3.2 0.0
assign (segid A and resid 70 and name HB# )(segid A and resid 70 and name HE2# ) 5 3.2 2.0
assign (segid A and resid 70 and name HB# )(segid A and resid 70 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 70 and name HB# )(segid A and resid 71 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 70 and name HE2# )(segid A and resid 70 and name HG# ) 2.9 1.1 2.0
assign (segid A and resid 70 and name HE2# )(segid A and resid 70 and name HN ) 5 3.2 1.0
assign (segid A and resid 70 and name HE2# )(segid A and resid 73 and name HB# ) 5 3.2 2.0
assign (segid A and resid 70 and name HE2# )(segid A and resid 74 and name HN ) 5 3.2 1.0
assign (segid A and resid 70 and name HG# )(segid A and resid 70 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 70 and name HG# )(segid A and resid 71 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 70 and name HN )(segid A and resid 71 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 70 and name HN )(segid A and resid 72 and name HD# ) 5 3.2 2.0
assign (segid A and resid 70 and name HN )(segid A and resid 72 and name HN ) 5 3.2 0.0
assign (segid A and resid 71 and name HA )(segid A and resid 71 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 71 and name HA )(segid A and resid 72 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 71 and name HA )(segid A and resid 73 and name HN ) 5 3.2 0.0
assign (segid A and resid 71 and name HA )(segid A and resid 74 and name HN ) 5 3.2 0.0
assign (segid A and resid 71 and name HA )(segid A and resid 75 and name HN ) 5 3.2 0.0
assign (segid A and resid 71 and name HB )(segid A and resid 71 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 71 and name HB )(segid A and resid 72 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 71 and name HD1# )(segid A and resid 71 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 71 and name HD1# )(segid A and resid 72 and name HN ) 5 3.2 1.5
assign (segid A and resid 71 and name HD1# )(segid A and resid 74 and name HN ) 5 3.2 1.5
assign (segid A and resid 71 and name HG1# )(segid A and resid 71 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 71 and name HG1# )(segid A and resid 72 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 71 and name HG1# )(segid A and resid 74 and name HN ) 5 3.2 1.0
assign (segid A and resid 71 and name HG2# )(segid A and resid 71 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 71 and name HG2# )(segid A and resid 72 and name HN ) 3.5 1.7 1.5
assign (segid A and resid 71 and name HG2# )(segid A and resid 74 and name HN ) 5 3.2 1.5
assign (segid A and resid 71 and name HG2# )(segid A and resid 75 and name HN ) 5 3.2 1.5
assign (segid A and resid 71 and name HN )(segid A and resid 72 and name HB# ) 5 3.2 1.0
assign (segid A and resid 71 and name HN )(segid A and resid 72 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 71 and name HN )(segid A and resid 73 and name HN ) 5 3.2 0.0
assign (segid A and resid 72 and name HA )(segid A and resid 72 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 72 and name HA )(segid A and resid 73 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 72 and name HA )(segid A and resid 74 and name HN ) 5 3.2 0.0
assign (segid A and resid 72 and name HA )(segid A and resid 75 and name HN ) 5 3.2 0.0
assign (segid A and resid 72 and name HA )(segid A and resid 76 and name HN ) 5 3.2 0.0
assign (segid A and resid 72 and name HB# )(segid A and resid 72 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 72 and name HB# )(segid A and resid 73 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 72 and name HB# )(segid A and resid 75 and name HN ) 5 3.2 1.0
assign (segid A and resid 72 and name HD# )(segid A and resid 72 and name HN ) 3.5 1.7 2.0
assign (segid A and resid 72 and name HD# )(segid A and resid 73 and name HN ) 3.5 1.7 2.0
assign (segid A and resid 72 and name HD# )(segid A and resid 74 and name HN ) 5 3.2 2.0
assign (segid A and resid 72 and name HD# )(segid A and resid 75 and name HN ) 5 3.2 2.0
assign (segid A and resid 72 and name HE# )(segid A and resid 72 and name HN ) 5 3.2 2.0
assign (segid A and resid 72 and name HE# )(segid A and resid 73 and name HN ) 5 3.2 2.0
assign (segid A and resid 72 and name HN )(segid A and resid 73 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 73 and name HA )(segid A and resid 73 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 73 and name HA )(segid A and resid 74 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 73 and name HA )(segid A and resid 76 and name HN ) 5 3.2 0.0
assign (segid A and resid 73 and name HB# )(segid A and resid 73 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 73 and name HB# )(segid A and resid 74 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 73 and name HG# )(segid A and resid 73 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 73 and name HG# )(segid A and resid 74 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 73 and name HN )(segid A and resid 74 and name HA ) 5 3.2 0.0
assign (segid A and resid 73 and name HN )(segid A and resid 74 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 73 and name HN )(segid A and resid 76 and name HG# ) 5 3.2 2.4
assign (segid A and resid 74 and name HA )(segid A and resid 74 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 74 and name HA )(segid A and resid 75 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 74 and name HA )(segid A and resid 76 and name HN ) 5 3.2 0.0
assign (segid A and resid 74 and name HA )(segid A and resid 77 and name HN ) 5 3.2 0.0
assign (segid A and resid 74 and name HA )(segid A and resid 78 and name HN ) 5 3.2 0.0
assign (segid A and resid 74 and name HB# )(segid A and resid 74 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 74 and name HB# )(segid A and resid 75 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 74 and name HN )(segid A and resid 75 and name HB# ) 5 3.2 1.0
assign (segid A and resid 74 and name HN )(segid A and resid 75 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 75 and name HA )(segid A and resid 75 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 75 and name HA )(segid A and resid 76 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 75 and name HA )(segid A and resid 77 and name HN ) 5 3.2 0.0
assign (segid A and resid 75 and name HA )(segid A and resid 78 and name HN ) 5 3.2 0.0
assign (segid A and resid 75 and name HB# )(segid A and resid 75 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 75 and name HB# )(segid A and resid 76 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 75 and name HD2 )(segid A and resid 75 and name HN ) 5 3.2 0.0
assign (segid A and resid 75 and name HD2 )(segid A and resid 76 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 75 and name HD2 )(segid A and resid 77 and name HN ) 5 3.2 0.0
assign (segid A and resid 75 and name HD2 )(segid A and resid 78 and name HN ) 5 3.2 0.0
assign (segid A and resid 75 and name HN )(segid A and resid 76 and name HB ) 5 3.2 0.0
assign (segid A and resid 75 and name HN )(segid A and resid 76 and name HG# ) 3.5 1.7 2.4
assign (segid A and resid 75 and name HN )(segid A and resid 76 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 76 and name HA )(segid A and resid 76 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 76 and name HA )(segid A and resid 77 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 76 and name HA )(segid A and resid 78 and name HN ) 5 3.2 0.0
assign (segid A and resid 76 and name HA )(segid A and resid 79 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 76 and name HA )(segid A and resid 80 and name HN ) 5 3.2 0.0
assign (segid A and resid 76 and name HB )(segid A and resid 76 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 76 and name HB )(segid A and resid 77 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 76 and name HB )(segid A and resid 78 and name HN ) 5 3.2 0.0
assign (segid A and resid 76 and name HG# )(segid A and resid 76 and name HN ) 2.9 1.1 1.7
assign (segid A and resid 76 and name HG# )(segid A and resid 77 and name HN ) 2.9 1.1 2.4
assign (segid A and resid 76 and name HG# )(segid A and resid 79 and name HN ) 3.5 1.7 2.4
assign (segid A and resid 76 and name HN )(segid A and resid 77 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 76 and name HN )(segid A and resid 79 and name HD2 ) 5 3.2 0.0
assign (segid A and resid 76 and name HN )(segid A and resid 79 and name HN ) 5 3.2 0.0
assign (segid A and resid 77 and name HA )(segid A and resid 77 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 77 and name HA )(segid A and resid 78 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 77 and name HA )(segid A and resid 79 and name HN ) 5 3.2 0.0
assign (segid A and resid 77 and name HA )(segid A and resid 80 and name HN ) 5 3.2 0.0
assign (segid A and resid 77 and name HA )(segid A and resid 81 and name HN ) 5 3.2 0.0
assign (segid A and resid 77 and name HB# )(segid A and resid 77 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 77 and name HB# )(segid A and resid 78 and name HN ) 2.9 1.1 1.0
assign (segid A and resid 77 and name HD# )(segid A and resid 77 and name HN ) 3.5 1.7 2.0
assign (segid A and resid 77 and name HN )(segid A and resid 78 and name HB# ) 5 3.2 1.0
assign (segid A and resid 77 and name HN )(segid A and resid 78 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 78 and name HA )(segid A and resid 78 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 78 and name HA )(segid A and resid 79 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 78 and name HA )(segid A and resid 80 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 78 and name HA )(segid A and resid 81 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 78 and name HB# )(segid A and resid 78 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 78 and name HB# )(segid A and resid 79 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 78 and name HB# )(segid A and resid 80 and name HN ) 5 3.2 1.0
assign (resid 78 and name HN )(segid A and resid 79 and name HD2 ) 5 3.2 0.0
assign (segid A and resid 78 and name HN )(segid A and resid 79 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 78 and name HN )(segid A and resid 81 and name HB# ) 5 3.2 1.0
assign (segid A and resid 78 and name HN )(segid A and resid 81 and name HD# ) 3.5 1.7 2.4
assign (segid A and resid 78 and name HN )(segid A and resid 81 and name HG ) 5 3.2 0.0
assign (segid A and resid 79 and name HA )(segid A and resid 79 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 79 and name HA )(segid A and resid 80 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 79 and name HB# )(segid A and resid 79 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 79 and name HB# )(segid A and resid 80 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 79 and name HB# )(segid A and resid 81 and name HN ) 5 3.2 1.0
assign (segid A and resid 79 and name HD2 )(segid A and resid 79 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 79 and name HD2 )(segid A and resid 80 and name HN ) 5 3.2 0.0
assign (segid A and resid 79 and name HN )(segid A and resid 80 and name HB# ) 5 3.2 1.0
assign (segid A and resid 79 and name HN )(segid A and resid 80 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 80 and name HA )(segid A and resid 80 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 80 and name HA )(segid A and resid 81 and name HN ) 3.5 1.7 0.0
assign (segid A and resid 80 and name HB# )(segid A and resid 80 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 80 and name HB# )(segid A and resid 81 and name HN ) 3.5 1.7 1.0
assign (segid A and resid 80 and name HN )(segid A and resid 81 and name HB# ) 5 3.2 1.0
assign (segid A and resid 80 and name HN )(segid A and resid 81 and name HD# ) 5 3.2 2.4
assign (segid A and resid 80 and name HN )(segid A and resid 81 and name HG ) 5 3.2 0.0
assign (segid A and resid 80 and name HN )(segid A and resid 81 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 81 and name HA )(segid A and resid 81 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 81 and name HB# )(segid A and resid 81 and name HN ) 2.9 1.1 0.6
assign (segid A and resid 81 and name HD# )(segid A and resid 81 and name HN ) 3.5 1.7 1.7
assign (segid A and resid 81 and name HG )(segid A and resid 81 and name HN ) 2.9 1.1 0.0
assign (segid A and resid 54 and name HA )(segid A and resid 55 and name HD# ) 5 3.2 2.0
assign (segid A and resid 54 and name HB# )(segid A and resid 64 and name HD# ) 2.9 1.1 3.0
assign (segid A and resid 55 and name HA )(segid A and resid 55 and name HD# ) 3.5 1.7 2.0
assign (segid A and resid 55 and name HA )(segid A and resid 55 and name HE# ) 5 3.2 2.0
assign (segid A and resid 55 and name HB# )(segid A and resid 55 and name HD# ) 2.9 1.1 3.0
assign (segid A and resid 55 and name HB# )(segid A and resid 64 and name HD# ) 3.5 1.7 3.0
assign (segid A and resid 55 and name HB# )(segid A and resid 72 and name HD# ) 3.5 1.7 3.0
assign (segid A and resid 55 and name HB# )(segid A and resid 72 and name HE# ) 3.5 1.7 3.0
assign (segid A and resid 55 and name HB# )(segid A and resid 72 and name HZ ) 5 3.2 1.0
assign (segid A and resid 55 and name HD# )(segid A and resid 55 and name HE# ) 2.9 1.1 4.0
assign (segid A and resid 55 and name HD# )(segid A and resid 64 and name HB# ) 3.5 1.7 3.0
assign (segid A and resid 55 and name HD# )(segid A and resid 64 and name HD# ) 5 3.2 4.0
assign (segid A and resid 55 and name HD# )(segid A and resid 66 and name HA ) 2.9 1.1 2.0
assign (segid A and resid 55 and name HD# )(segid A and resid 66 and name HB# ) 3.5 1.7 3.5
assign (segid A and resid 55 and name HD# )(segid A and resid 69 and name HA ) 3.5 1.7 2.0
assign (segid A and resid 55 and name HD# )(segid A and resid 69 and name HB# ) 5 3.2 3.0
assign (segid A and resid 55 and name HD# )(segid A and resid 72 and name HB# ) 3.5 1.7 3.0
assign (segid A and resid 55 and name HD# )(segid A and resid 72 and name HD# ) 3.5 1.7 4.0
assign (segid A and resid 55 and name HD# )(segid A and resid 72 and name HE# ) 3.5 1.7 4.0
assign (segid A and resid 55 and name HE# )(segid A and resid 66 and name HA ) 2.9 1.1 2.0
assign (segid A and resid 55 and name HE# )(segid A and resid 66 and name HB# ) 2.9 1.1 3.5
assign (segid A and resid 55 and name HE# )(segid A and resid 69 and name HA ) 2.9 1.1 2.0
assign (segid A and resid 55 and name HE# )(segid A and resid 69 and name HB# ) 2.9 1.1 3.0
assign (segid A and resid 55 and name HE# )(segid A and resid 69 and name HD# ) 2.9 1.1 3.0
assign (segid A and resid 55 and name HE# )(segid A and resid 69 and name HE# ) 3.5 1.7 3.0
assign (segid A and resid 55 and name HE# )(segid A and resid 69 and name HG# ) 3.5 1.7 3.0
assign (segid A and resid 55 and name HE# )(segid A and resid 72 and name HB# ) 5 3.2 3.0
assign (segid A and resid 55 and name HE# )(segid A and resid 72 and name HD# ) 3.5 1.7 4.0
assign (segid A and resid 55 and name HE# )(segid A and resid 72 and name HE# ) 3.5 1.7 4.0
assign (segid A and resid 56 and name HA )(segid A and resid 64 and name HD# ) 5 3.2 2.0
assign (segid A and resid 57 and name HA )(segid A and resid 72 and name HE# ) 3.5 1.7 2.0
assign (segid A and resid 57 and name HA )(segid A and resid 72 and name HZ ) 5 3.2 0.0
assign (segid A and resid 57 and name HB# )(segid A and resid 64 and name HE# ) 3.5 1.7 3.0
assign (segid A and resid 57 and name HB# )(segid A and resid 72 and name HE# ) 3.5 1.7 3.0
assign (segid A and resid 57 and name HB# )(segid A and resid 75 and name HD2 ) 5 3.2 1.0
assign (segid A and resid 58 and name HD# )(segid A and resid 72 and name HE# ) 5 3.2 3.0
assign (segid A and resid 58 and name HD# )(segid A and resid 72 and name HZ ) 5 3.2 1.0
assign (segid A and resid 59 and name HB )(segid A and resid 79 and name HD2 ) 3.5 1.7 0.0
assign (segid A and resid 59 and name HB )(segid A and resid 79 and name HE1 ) 5 3.2 0.0
assign (segid A and resid 59 and name HD1# )(segid A and resid 79 and name HD2 ) 2.9 1.1 1.5
assign (segid A and resid 59 and name HD1# )(segid A and resid 79 and name HE1 ) 5 3.2 1.5
assign (segid A and resid 59 and name HG1# )(segid A and resid 79 and name HD2 ) 3.5 1.7 1.0
assign (segid A and resid 59 and name HG2# )(segid A and resid 79 and name HD2 ) 3.5 1.7 1.5
assign (segid A and resid 59 and name HG2# )(segid A and resid 79 and name HE1 ) 2.9 1.1 1.5
assign (segid A and resid 60 and name HA )(segid A and resid 79 and name HE1 ) 5 3.2 0.0
assign (segid A and resid 60 and name HB# )(segid A and resid 79 and name HE1 ) 2.9 1.1 1.0
assign (segid A and resid 62 and name HB# )(segid A and resid 64 and name HE# ) 3.5 1.7 3.0
assign (segid A and resid 62 and name HB# )(segid A and resid 64 and name HZ ) 5 3.2 1.0
assign (segid A and resid 62 and name HB# )(segid A and resid 75 and name HE1 ) 5 3.2 1.0
assign (segid A and resid 62 and name HD# )(segid A and resid 64 and name HE# ) 3.5 1.7 3.0
assign (segid A and resid 62 and name HD# )(segid A and resid 64 and name HZ ) 3.5 1.7 1.0
assign (segid A and resid 62 and name HD# )(segid A and resid 75 and name HE1 ) 2.9 1.1 1.0
assign (segid A and resid 62 and name HE# )(segid A and resid 64 and name HE# ) 3.5 1.7 3.0
assign (segid A and resid 62 and name HE# )(segid A and resid 64 and name HZ ) 3.5 1.7 1.0
assign (segid A and resid 62 and name HE# )(segid A and resid 75 and name HE1 ) 3.5 1.7 1.0
assign (segid A and resid 62 and name HG# )(segid A and resid 64 and name HD# ) 5 3.2 3.0
assign (segid A and resid 62 and name HG# )(segid A and resid 64 and name HE# ) 3.5 1.7 3.0
assign (segid A and resid 62 and name HG# )(segid A and resid 64 and name HZ ) 3.5 1.7 1.0
assign (segid A and resid 62 and name HG# )(segid A and resid 75 and name HD2 ) 5 3.2 1.0
assign (segid A and resid 62 and name HG# )(segid A and resid 75 and name HE1 ) 3.5 1.7 1.0
assign (segid A and resid 64 and name HB# )(segid A and resid 64 and name HD# ) 2.9 1.1 3.0
assign (segid A and resid 64 and name HB# )(segid A and resid 64 and name HE# ) 5 3.2 3.0
assign (segid A and resid 64 and name HD# )(segid A and resid 64 and name HE# ) 2.9 1.1 4.0
assign (segid A and resid 64 and name HD# )(segid A and resid 64 and name HZ ) 3.5 1.7 2.0
assign (segid A and resid 64 and name HD# )(segid A and resid 65 and name HD# ) 3.5 1.7 3.0
assign (segid A and resid 64 and name HD# )(segid A and resid 68 and name HB# ) 3.5 1.7 3.0
assign (segid A and resid 64 and name HD# )(segid A and resid 71 and name HD1# ) 5 3.2 3.5
assign (segid A and resid 64 and name HD# )(segid A and resid 71 and name HG1# ) 5 3.2 3.0
assign (segid A and resid 64 and name HD# )(segid A and resid 71 and name HG2# ) 2.9 1.1 3.5
assign (segid A and resid 64 and name HD# )(segid A and resid 72 and name HA ) 3.5 1.7 2.0
assign (segid A and resid 64 and name HD# )(segid A and resid 72 and name HB# ) 3.5 1.7 3.0
assign (segid A and resid 64 and name HD# )(segid A and resid 72 and name HD# ) 2.9 1.1 4.0
assign (segid A and resid 64 and name HD# )(segid A and resid 72 and name HE# ) 3.5 1.7 4.0
assign (segid A and resid 64 and name HD# )(segid A and resid 75 and name HB# ) 5 3.2 3.0
assign (segid A and resid 64 and name HE# )(segid A and resid 64 and name HZ ) 2.9 1.1 2.0
assign (segid A and resid 64 and name HE# )(segid A and resid 68 and name HB# ) 5 3.2 3.0
assign (segid A and resid 64 and name HE# )(segid A and resid 71 and name HD1# ) 5 3.2 3.5
assign (segid A and resid 64 and name HE# )(segid A and resid 71 and name HG1# ) 5 3.2 3.0
assign (segid A and resid 64 and name HE# )(segid A and resid 71 and name HG2# ) 2.9 1.1 3.5
assign (segid A and resid 64 and name HE# )(segid A and resid 72 and name HA ) 5 3.2 2.0
assign (segid A and resid 64 and name HE# )(segid A and resid 72 and name HB# ) 5 3.2 3.0
assign (segid A and resid 64 and name HE# )(segid A and resid 72 and name HD# ) 3.5 1.7 4.0
assign (segid A and resid 64 and name HE# )(segid A and resid 75 and name HB# ) 5 3.2 3.0
assign (segid A and resid 64 and name HE# )(segid A and resid 75 and name HD2 ) 3.5 1.7 2.0
assign (segid A and resid 64 and name HZ )(segid A and resid 71 and name HG2# ) 5 3.2 1.5
assign (segid A and resid 64 and name HZ )(segid A and resid 72 and name HA ) 5 3.2 0.0
assign (segid A and resid 64 and name HZ )(segid A and resid 72 and name HD# ) 5 3.2 2.0
assign (segid A and resid 64 and name HZ )(segid A and resid 75 and name HA ) 5 3.2 0.0
assign (segid A and resid 64 and name HZ )(segid A and resid 75 and name HB# ) 3.5 1.7 1.0
assign (segid A and resid 64 and name HZ )(segid A and resid 75 and name HD2 ) 5 3.2 0.0
assign (segid A and resid 64 and name HZ )(segid A and resid 75 and name HE1 ) 5 3.2 0.0
assign (segid A and resid 69 and name HA )(segid A and resid 72 and name HD# ) 3.5 1.7 2.0
assign (segid A and resid 69 and name HA )(segid A and resid 72 and name HE# ) 5 3.2 2.0
assign (segid A and resid 69 and name HG# )(segid A and resid 72 and name HD# ) 3.5 1.7 3.0
assign (segid A and resid 71 and name HG2# )(segid A and resid 72 and name HD# ) 5 3.2 3.5
assign (segid A and resid 72 and name HA )(segid A and resid 72 and name HD# ) 2.9 1.1 2.0
assign (segid A and resid 72 and name HA )(segid A and resid 72 and name HE# ) 5 3.2 2.0
assign (segid A and resid 72 and name HB# )(segid A and resid 72 and name HD# ) 2.9 1.1 3.0
assign (segid A and resid 72 and name HB# )(segid A and resid 72 and name HE# ) 5 3.2 3.0
assign (segid A and resid 72 and name HD# )(segid A and resid 72 and name HE# ) 2.9 1.1 4.0
assign (segid A and resid 72 and name HD# )(segid A and resid 72 and name HZ ) 3.5 1.7 2.0
assign (segid A and resid 72 and name HD# )(segid A and resid 73 and name HA ) 3.5 1.7 2.0
assign (segid A and resid 72 and name HD# )(segid A and resid 73 and name HB# ) 3.5 1.7 3.0
assign (segid A and resid 72 and name HD# )(segid A and resid 73 and name HG# ) 3.5 1.7 3.0
assign (segid A and resid 72 and name HD# )(segid A and resid 76 and name HG# ) 3.5 1.7 4.4
assign (segid A and resid 72 and name HE# )(segid A and resid 72 and name HZ ) 2.9 1.1 2.0
assign (segid A and resid 72 and name HE# )(segid A and resid 73 and name HA ) 5 3.2 2.0
assign (segid A and resid 72 and name HE# )(segid A and resid 73 and name HG# ) 5 3.2 3.0
assign (segid A and resid 72 and name HE# )(segid A and resid 76 and name HG# ) 2.9 1.1 4.4
assign (segid A and resid 72 and name HZ )(segid A and resid 76 and name HG# ) 3.5 1.7 2.4
assign (segid A and resid 74 and name HA )(segid A and resid 77 and name HD# ) 5 3.2 2.0
assign (segid A and resid 75 and name HA )(segid A and resid 75 and name HD2 ) 5 3.2 0.0
assign (segid A and resid 75 and name HA )(segid A and resid 75 and name HE1 ) 5.9 4.1 0.0
assign (segid A and resid 75 and name HB# )(segid A and resid 75 and name HD2 ) 2.9 1.1 1.0
assign (segid A and resid 75 and name HB# )(segid A and resid 75 and name HE1 ) 5 3.2 1.0
assign (segid A and resid 75 and name HD2 )(segid A and resid 75 and name HE1 ) 5 3.2 0.0
assign (segid A and resid 75 and name HD2 )(segid A and resid 76 and name HB ) 5 3.2 0.0
assign (segid A and resid 75 and name HD2 )(segid A and resid 76 and name HG# ) 2.9 1.1 2.4
assign (segid A and resid 75 and name HD2 )(segid A and resid 79 and name HD2 ) 3.5 1.7 0.0
assign (segid A and resid 76 and name HA )(segid A and resid 79 and name HD2 ) 2.9 1.1 0.0
assign (segid A and resid 76 and name HB )(segid A and resid 79 and name HD2 ) 5.5 3.7 0.0
assign (segid A and resid 76 and name HG# )(segid A and resid 79 and name HD2 ) 2.9 1.1 2.4
assign (segid A and resid 77 and name HA )(segid A and resid 77 and name HD# ) 3.5 1.7 2.0
assign (segid A and resid 77 and name HB# )(segid A and resid 77 and name HD# ) 2.9 1.1 3.0
assign (segid A and resid 77 and name HB# )(segid A and resid 77 and name HE# ) 3.5 1.7 3.0
assign (segid A and resid 77 and name HD# )(segid A and resid 78 and name HA ) 3.5 1.7 2.0
assign (segid A and resid 77 and name HD# )(segid A and resid 81 and name HD# ) 3.5 1.7 4.4
assign (segid A and resid 77 and name HD# )(segid A and resid 81 and name HG ) 5 3.2 2.0
assign (segid A and resid 77 and name HE# )(segid A and resid 81 and name HD# ) 3.5 1.7 4.4
assign (segid A and resid 77 and name HE# )(segid A and resid 81 and name HG ) 5 3.2 2.0
assign (segid A and resid 79 and name HA )(segid A and resid 79 and name HD2 ) 5 3.2 0.0
assign (segid A and resid 79 and name HB# )(segid A and resid 79 and name HD2 ) 2.9 1.1 1.0
assign (segid A and resid 79 and name HD2 )(segid A and resid 79 and name HE1 ) 5 3.2 0.0
assign (segid A and resid 82 and name "ZN+2" )(segid A and resid 57 and name SG ) 2.2 0.0 0.2  
assign (segid A and resid 82 and name "ZN+2" )(segid A and resid 60 and name SG ) 2.2 0.0 0.2  
assign (segid A and resid 82 and name "ZN+2" )(segid A and resid 75 and name NE2 ) 2.0 0.0 0.2  
assign (segid A and resid 82 and name "ZN+2" )(segid A and resid 79 and name NE2 ) 2.1 0.0 0.2  
assign (segid A and resid 57 and name SG )(segid A and resid 60 and name SG ) 3.6 0.0 0.6  
assign (segid A and resid 57 and name SG )(segid A and resid 75 and name NE2 ) 3.1 0.0 0.9  
assign (segid A and resid 60 and name SG )(segid A and resid 79 and name NE2 ) 3.1 0.0 0.9  
assign (segid A and resid 75 and name NE2 )(segid A and resid 79 and name NE2 ) 3.0 0.0 0.9  

!phi: 54 - 55  
assign (segid A and resid 54 and name c  ) (segid A and resid 55 and name n )  
       (segid A and resid 55 and name ca ) (segid A and resid 55 and name c ) 1 -123.21 64.916 2  
 
!psi: 54 - 55  
assign (segid A and resid 54 and name n ) (segid A and resid 54 and name ca )  
       (segid A and resid 54 and name c ) (segid A and resid 55 and name n  ) 1 157.15 29.444 2  
 
!phi: 55 - 56  
assign (resid 55 and name c  ) (segid A and resid 56 and name n )  
       (segid A and resid 56 and name ca ) (segid A and resid 56 and name c ) 1 -123.629 51.486 2  
 
!psi: 55 - 56  
assign (segid A and resid 55 and name n ) (segid A and resid 55 and name ca )  
       (segid A and resid 55 and name c ) (segid A and resid 56 and name n  ) 1 142.76 38.696 2  
 
!phi: 56 - 57  
assign (segid A and resid 56 and name c  ) (segid A and resid 57 and name n )  
       (segid A and resid 57 and name ca ) (segid A and resid 57 and name c ) 1 -116.53 41.978 2  
 
!psi: 56 - 57  
assign (segid A and resid 56 and name n ) (segid A and resid 56 and name ca )  
       (segid A and resid 56 and name c ) (segid A and resid 57 and name n  ) 1 123.001 11.114 2  
 
!phi: 57 - 58  
assign (segid A and resid 57 and name c  ) (segid A and resid 58 and name n )  
       (segid A and resid 58 and name ca ) (segid A and resid 58 and name c ) 1 -96.138 57.142 2  
 
!psi: 57 - 58  
assign (segid A and resid 57 and name n ) (segid A and resid 57 and name ca )  
       (segid A and resid 57 and name c ) (segid A and resid 58 and name n  ) 1 126.233 34.82 2  
 
 
!phi: 59 - 60  
assign (segid A and resid 59 and name c  ) (segid A and resid 60 and name n )  
       (segid A and resid 60 and name ca ) (segid A and resid 60 and name c ) 1 -95.917 25.4 2  
 
!psi: 59 - 60  
assign (segid A and resid 59 and name n ) (segid A and resid 59 and name ca )  
       (segid A and resid 59 and name c ) (segid A and resid 60 and name n  ) 1 -21.615 31.196 2  
  
 
!psi: 64 - 65  
assign (segid A and resid 64 and name n ) (segid A and resid 64 and name ca )  
       (segid A and resid 64 and name c ) (segid A and resid 65 and name n  ) 1 131.665 40.03 2  
 
!phi: 65 - 66  
assign (segid A and resid 65 and name c  ) (segid A and resid 66 and name n )  
       (segid A and resid 66 and name ca ) (segid A and resid 66 and name c ) 1 -61.227 16.584 2  
 
!psi: 65 - 66  
assign (segid A and resid 65 and name n ) (segid A and resid 65 and name ca )  
       (segid A and resid 65 and name c ) (segid A and resid 66 and name n  ) 1 143.692 21.038 2  
 
!phi: 66 - 67  
assign (segid A and resid 66 and name c  ) (segid A and resid 67 and name n )  
       (segid A and resid 67 and name ca ) (segid A and resid 67 and name c ) 1 -62.192 15.946 2  
 
!psi: 66 - 67  
assign (segid A and resid 66 and name n ) (segid A and resid 66 and name ca )  
       (segid A and resid 66 and name c ) (segid A and resid 67 and name n  ) 1 -22.608 21.284 2  
 
!phi: 67 - 68  
assign (segid A and resid 67 and name c  ) (segid A and resid 68 and name n )  
       (segid A and resid 68 and name ca ) (segid A and resid 68 and name c ) 1 -88.675 39.234 2  
 
!psi: 67 - 68  
assign (segid A and resid 67 and name n ) (segid A and resid 67 and name ca )  
       (segid A and resid 67 and name c ) (segid A and resid 68 and name n  ) 1 -5.953 35.626 2  
 
 
 
!phi: 71 - 72  
assign (segid A and resid 71 and name c  ) (segid A and resid 72 and name n )  
       (segid A and resid 72 and name ca ) (segid A and resid 72 and name c ) 1 -64.546 12.66 2  
 
!psi: 71 - 72  
assign (segid A and resid 71 and name n ) (segid A and resid 71 and name ca )  
       (segid A and resid 71 and name c ) (segid A and resid 72 and name n  ) 1 -41.04 9.512 2  
 
!phi: 72 - 73  
assign (segid A and resid 72 and name c  ) (segid A and resid 73 and name n )  
       (segid A and resid 73 and name ca ) (segid A and resid 73 and name c ) 1 -63.73 13.14 2  
 
!psi: 72 - 73  
assign (segid A and resid 72 and name n ) (segid A and resid 72 and name ca )  
       (segid A and resid 72 and name c ) (segid A and resid 73 and name n  ) 1 -40.719 18.59 2  
 
!phi: 73 - 74  
assign (segid A and resid 73 and name c  ) (segid A and resid 74 and name n )  
       (segid A and resid 74 and name ca ) (segid A and resid 74 and name c ) 1 -60.692 9.606 2  
 
!psi: 73 - 74  
assign (segid A and resid 73 and name n ) (segid A and resid 73 and name ca )  
       (segid A and resid 73 and name c ) (segid A and resid 74 and name n  ) 1 -38.786 13.03 2  
 
!phi: 74 - 75  
assign (segid A and resid 74 and name c  ) (segid A and resid 75 and name n )  
       (segid A and resid 75 and name ca ) (segid A and resid 75 and name c ) 1 -65.004 14.9 2  
 
!psi: 74 - 75  
assign (segid A and resid 74 and name n ) (segid A and resid 74 and name ca )  
       (segid A and resid 74 and name c ) (segid A and resid 75 and name n  ) 1 -41.712 15.074 2  
 
!phi: 75 - 76  
assign (segid A and resid 75 and name c  ) (segid A and resid 76 and name n )  
       (segid A and resid 76 and name ca ) (segid A and resid 76 and name c ) 1 -63.443 7.508 2  
 
!psi: 75 - 76  
assign (segid A and resid 75 and name n ) (segid A and resid 75 and name ca )  
       (segid A and resid 75 and name c ) (segid A and resid 76 and name n  ) 1 -44.815 9.99 2  
 
!phi: 76 - 77  
assign (segid A and resid 76 and name c  ) (segid A and resid 77 and name n )  
       (segid A and resid 77 and name ca ) (segid A and resid 77 and name c ) 1 -62.951 9.83 2  
 
!psi: 76 - 77  
assign (segid A and resid 76 and name n ) (segid A and resid 76 and name ca )  
       (segid A and resid 76 and name c ) (segid A and resid 77 and name n  ) 1 -47.028 21.542 2  
 
!phi: 77 - 78  
assign (segid A and resid 77 and name c  ) (segid A and resid 78 and name n )  
       (segid A and resid 78 and name ca ) (segid A and resid 78 and name c ) 1 -62.333 10.462 2  
 
!psi: 77 - 78  
assign (segid A and resid 77 and name n ) (segid A and resid 77 and name ca )  
       (segid A and resid 77 and name c ) (segid A and resid 78 and name n  ) 1 -43.042 11.938 2  
 
!phi: 78 - 79  
assign (segid A and resid 78 and name c  ) (segid A and resid 79 and name n )  
       (segid A and resid 79 and name ca ) (segid A and resid 79 and name c ) 1 -58.185 9.258 2  
 
!psi: 78 - 79  
assign (segid A and resid 78 and name n ) (segid A and resid 78 and name ca )  
       (segid A and resid 78 and name c ) (segid A and resid 79 and name n  ) 1 -42.693 24.22 2  
 
!phi: 79 - 80  
assign (segid A and resid 79 and name c  ) (segid A and resid 80 and name n )  
       (segid A and resid 80 and name ca ) (segid A and resid 80 and name c ) 1 -65.902 10.586 2  
 
!psi: 79 - 80  
assign (segid A and resid 79 and name n ) (segid A and resid 79 and name ca )  
       (segid A and resid 79 and name c ) (segid A and resid 80 and name n  ) 1 -33.831 25.936 2  
 
!b-sheet
assign (segid A and resid 64 and name O ) (segid A and resid 55 and name HN ) 2.4 0.6 0.0  
assign (segid A and resid 64 and name O ) (segid A and resid 55 and name N ) 3.5 1.3 0.0  
assign (segid A and resid 55 and name O ) (segid A and resid 64 and name HN ) 2.2 0.4 0.0  
assign (segid A and resid 55 and name O ) (segid A and resid 64 and name N ) 3.3 1.1 0.0  
 
!helix
 
assign (segid A and resid 68 and name O ) (segid A and resid 72 and name N ) 3.3 1.1 0.0  
assign (segid A and resid 68 and name O ) (segid A and resid 72 and name HN ) 2.2 0.4 0.0  
 
assign (segid A and resid 69 and name O ) (segid A and resid 73 and name N ) 3.3 1.1 0.0  
assign (segid A and resid 69 and name O ) (segid A and resid 73 and name HN ) 2.2 0.4 0.0  
 
assign (segid A and resid 70 and name O ) (segid A and resid 74 and name N ) 3.3 1.1 0.0  
assign (segid A and resid 70 and name O ) (segid A and resid 74 and name HN ) 2.2 0.4 0.0  
 
assign (segid A and resid 71 and name O ) (segid A and resid 75 and name N ) 3.3 1.1 0.0  
assign (segid A and resid 71 and name O ) (segid A and resid 75 and name HN ) 2.2 0.4 0.0  
 
assign (segid A and resid 72 and name O ) (segid A and resid 76 and name N ) 3.3 1.1 0.0  
assign (segid A and resid 72 and name O ) (segid A and resid 76 and name HN ) 2.2 0.4 0.0  
 
assign (segid A and resid 73 and name O ) (segid A and resid 77 and name N ) 3.3 1.1 0.0  
assign (segid A and resid 73 and name O ) (segid A and resid 77 and name HN ) 2.2 0.4 0.0  
 
assign (segid A and resid 74 and name O ) (segid A and resid 78 and name N ) 3.3 1.1 0.0  
assign (segid A and resid 74 and name O ) (segid A and resid 78 and name HN ) 2.2 0.4 0.0  
 
assign (segid A and resid 75 and name O ) (segid A and resid 79 and name N ) 3.6 1.4 0.0  
assign (segid A and resid 75 and name O ) (segid A and resid 79 and name HN ) 2.5 0.7 0.0  
 
assign (segid A and resid 76 and name O ) (segid A and resid 80 and name N ) 3.3 1.1 0.0  
assign (segid A and resid 76 and name O ) (segid A and resid 80 and name HN ) 2.2 0.4 0.0  
 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLN  49           HT1      GLN  49  35.601   2.154   6.097
    2    H2   GLN  49           HT2      GLN  49  37.202   2.731   5.868
    3    H3   GLN  49           HT3      GLN  49  36.676   2.247   7.429
    4    HA   GLN  49           HA       GLN  49  38.125   0.661   6.244
    5    HB2  GLN  49           HB2      GLN  49  36.675  -1.260   6.908
    6    HB3  GLN  49           HB1      GLN  49  36.787  -0.004   8.133
    7    HG2  GLN  49           HG2      GLN  49  34.613   0.886   7.355
    8    HG3  GLN  49           HG1      GLN  49  34.496  -0.477   6.242
    9   HE21  GLN  49          HE21      GLN  49  34.847   0.340   9.659
   10   HE22  GLN  49          HE22      GLN  49  34.003  -1.043  10.261
   11    H    MET  50           HN       MET  50  38.610  -0.080   4.290
   12    HA   MET  50           HA       MET  50  36.431  -0.751   2.439
   13    HB2  MET  50           HB2      MET  50  37.773   0.208   0.573
   14    HB3  MET  50           HB1      MET  50  37.202   1.413   1.720
   15    HG2  MET  50           HG2      MET  50  39.522   1.099   2.825
   16    HG3  MET  50           HG1      MET  50  39.970   0.390   1.274
   17    HE1  MET  50           HE1      MET  50  39.554   1.300  -0.816
   18    HE2  MET  50           HE2      MET  50  40.775   2.567  -0.944
   19    HE3  MET  50           HE3      MET  50  39.078   2.947  -1.232
   20    H    GLN  51           HN       GLN  51  38.120  -2.395   4.155
   21    HA   GLN  51           HA       GLN  51  39.253  -4.364   4.073
   22    HB2  GLN  51           HB2      GLN  51  38.022  -4.164   1.378
   23    HB3  GLN  51           HB1      GLN  51  39.287  -5.366   1.593
   24    HG2  GLN  51           HG2      GLN  51  38.062  -6.528   3.216
   25    HG3  GLN  51           HG1      GLN  51  36.948  -5.184   3.458
   26   HE21  GLN  51          HE21      GLN  51  35.524  -7.183   3.155
   27   HE22  GLN  51          HE22      GLN  51  34.965  -7.471   1.546
   28    HA   PRO  52           HA       PRO  52  43.266  -2.592   3.000
   29    HB2  PRO  52           HB2      PRO  52  44.236  -5.035   4.359
   30    HB3  PRO  52           HB1      PRO  52  44.602  -3.341   4.695
   31    HG2  PRO  52           HG2      PRO  52  43.028  -4.766   6.319
   32    HG3  PRO  52           HG1      PRO  52  42.709  -3.051   5.994
   33    HD2  PRO  52           HD2      PRO  52  41.367  -5.479   4.864
   34    HD3  PRO  52           HD1      PRO  52  40.655  -3.938   5.390
   35    H    LEU  53           HN       LEU  53  42.551  -3.301   0.751
   36    HA   LEU  53           HA       LEU  53  43.899  -5.765  -0.089
   37    HB2  LEU  53           HB2      LEU  53  41.387  -4.935  -0.654
   38    HB3  LEU  53           HB1      LEU  53  42.249  -4.268  -2.027
   39    HG   LEU  53           HG       LEU  53  43.214  -6.681  -2.266
   40   HD11  LEU  53          HD11      LEU  53  41.408  -8.340  -1.583
   41   HD12  LEU  53          HD12      LEU  53  40.823  -7.081  -0.496
   42   HD13  LEU  53          HD13      LEU  53  42.455  -7.722  -0.306
   43   HD21  LEU  53          HD21      LEU  53  41.777  -6.946  -3.988
   44   HD22  LEU  53          HD22      LEU  53  41.315  -5.297  -3.566
   45   HD23  LEU  53          HD23      LEU  53  40.354  -6.658  -2.988
   46    H    CYS  54           HN       CYS  54  45.205  -3.171   0.518
   47    HA   CYS  54           HA       CYS  54  47.084  -3.134  -1.562
   48    HB2  CYS  54           HB2      CYS  54  46.609  -0.867  -2.494
   49    HB3  CYS  54           HB1      CYS  54  45.396  -2.070  -2.918
   50    HG   CYS  54           HG       CYS  54  44.655  -0.319  -0.518
   51    H    PHE  55           HN       PHE  55  48.905  -2.017  -0.959
   52    HA   PHE  55           HA       PHE  55  48.796  -0.757   1.684
   53    HB2  PHE  55           HB2      PHE  55  51.163  -1.753   0.084
   54    HB3  PHE  55           HB1      PHE  55  51.248  -1.065   1.702
   55    HD1  PHE  55           HD2      PHE  55  49.002  -2.306   3.061
   56    HD2  PHE  55           HD1      PHE  55  51.758  -3.973   0.281
   57    HE1  PHE  55           HE2      PHE  55  48.624  -4.537   4.031
   58    HE2  PHE  55           HE1      PHE  55  51.385  -6.206   1.244
   59    HZ   PHE  55           HZ       PHE  55  49.817  -6.490   3.121
   60    H    ASN  56           HN       ASN  56  49.885   1.234   2.091
   61    HA   ASN  56           HA       ASN  56  50.447   2.849  -0.298
   62    HB2  ASN  56           HB2      ASN  56  49.336   4.784   0.927
   63    HB3  ASN  56           HB1      ASN  56  48.262   3.547   0.282
   64   HD21  ASN  56          HD21      ASN  56  46.718   4.364   1.806
   65   HD22  ASN  56          HD22      ASN  56  46.774   3.842   3.453
   66    H    CYS  57           HN       CYS  57  52.219   4.081  -0.187
   67    HA   CYS  57           HA       CYS  57  53.894   3.879   2.154
   68    HB2  CYS  57           HB2      CYS  57  54.979   3.646   0.025
   69    HB3  CYS  57           HB1      CYS  57  54.298   5.163  -0.548
   70    HA   PRO  58           HA       PRO  58  52.169   7.752   3.686
   71    HB2  PRO  58           HB2      PRO  58  53.940   7.377   5.971
   72    HB3  PRO  58           HB1      PRO  58  52.177   7.365   5.914
   73    HG2  PRO  58           HG2      PRO  58  53.665   5.140   6.375
   74    HG3  PRO  58           HG1      PRO  58  52.073   5.102   5.597
   75    HD2  PRO  58           HD2      PRO  58  54.793   4.919   4.371
   76    HD3  PRO  58           HD1      PRO  58  53.299   4.055   3.948
   77    H    ILE  59           HN       ILE  59  55.432   6.971   2.965
   78    HA   ILE  59           HA       ILE  59  56.557   9.484   3.770
   79    HB   ILE  59           HB       ILE  59  57.729   7.452   1.877
   80   HG12  ILE  59          HG12      ILE  59  59.015   7.177   4.303
   81   HG13  ILE  59          HG11      ILE  59  57.337   7.422   4.779
   82   HG21  ILE  59          HG21      ILE  59  59.063   9.300   1.609
   83   HG22  ILE  59          HG22      ILE  59  59.858   8.527   2.979
   84   HG23  ILE  59          HG23      ILE  59  58.766   9.885   3.245
   85   HD11  ILE  59          HD11      ILE  59  58.111   5.036   4.445
   86   HD12  ILE  59          HD12      ILE  59  58.129   5.395   2.718
   87   HD13  ILE  59          HD13      ILE  59  56.622   5.512   3.627
   88    H    CYS  60           HN       CYS  60  55.879   8.027   0.551
   89    HA   CYS  60           HA       CYS  60  55.845  10.785  -0.498
   90    HB2  CYS  60           HB2      CYS  60  56.699  10.028  -2.576
   91    HB3  CYS  60           HB1      CYS  60  57.701   9.292  -1.330
   92    H    ASP  61           HN       ASP  61  53.901   8.157   0.177
   93    HA   ASP  61           HA       ASP  61  51.622   7.993  -0.086
   94    HB2  ASP  61           HB2      ASP  61  51.951  10.506  -1.035
   95    HB3  ASP  61           HB1      ASP  61  51.413   9.686  -2.498
   96    H    LYS  62           HN       LYS  62  53.884   6.651  -1.654
   97    HA   LYS  62           HA       LYS  62  52.679   5.878  -4.136
   98    HB2  LYS  62           HB2      LYS  62  55.104   5.860  -3.898
   99    HB3  LYS  62           HB1      LYS  62  54.992   4.676  -2.605
  100    HG2  LYS  62           HG2      LYS  62  55.501   3.291  -4.327
  101    HG3  LYS  62           HG1      LYS  62  53.744   3.289  -4.486
  102    HD2  LYS  62           HD2      LYS  62  53.776   4.644  -6.351
  103    HD3  LYS  62           HD1      LYS  62  55.336   5.358  -5.933
  104    HE2  LYS  62           HE2      LYS  62  55.376   2.462  -6.454
  105    HE3  LYS  62           HE1      LYS  62  54.975   3.469  -7.845
  106    HZ1  LYS  62           HZ1      LYS  62  57.429   2.928  -7.349
  107    HZ2  LYS  62           HZ2      LYS  62  57.303   4.128  -6.163
  108    HZ3  LYS  62           HZ3      LYS  62  57.017   4.511  -7.785
  109    H    ILE  63           HN       ILE  63  51.003   4.539  -4.307
  110    HA   ILE  63           HA       ILE  63  50.586   2.536  -2.189
  111    HB   ILE  63           HB       ILE  63  48.495   3.522  -4.119
  112   HG12  ILE  63          HG12      ILE  63  47.840   4.651  -1.719
  113   HG13  ILE  63          HG11      ILE  63  49.595   4.783  -1.694
  114   HG21  ILE  63          HG21      ILE  63  48.095   2.302  -1.405
  115   HG22  ILE  63          HG22      ILE  63  48.244   1.322  -2.862
  116   HG23  ILE  63          HG23      ILE  63  46.928   2.484  -2.715
  117   HD11  ILE  63          HD11      ILE  63  47.752   5.847  -3.820
  118   HD12  ILE  63          HD12      ILE  63  49.512   5.933  -3.863
  119   HD13  ILE  63          HD13      ILE  63  48.618   6.786  -2.606
  120    H    PHE  64           HN       PHE  64  50.138   0.428  -2.678
  121    HA   PHE  64           HA       PHE  64  50.094  -0.405  -5.472
  122    HB2  PHE  64           HB2      PHE  64  51.745  -2.202  -3.865
  123    HB3  PHE  64           HB1      PHE  64  52.039  -1.543  -5.468
  124    HD1  PHE  64           HD1      PHE  64  52.024  -0.410  -1.910
  125    HD2  PHE  64           HD2      PHE  64  53.873  -0.202  -5.736
  126    HE1  PHE  64           HE1      PHE  64  53.780   1.038  -0.978
  127    HE2  PHE  64           HE2      PHE  64  55.633   1.246  -4.811
  128    HZ   PHE  64           HZ       PHE  64  55.590   1.865  -2.428
  129    HA   PRO  65           HA       PRO  65  47.164  -3.456  -4.259
  130    HB2  PRO  65           HB2      PRO  65  48.823  -5.678  -5.287
  131    HB3  PRO  65           HB1      PRO  65  47.217  -5.146  -5.793
  132    HG2  PRO  65           HG2      PRO  65  49.370  -4.714  -7.323
  133    HG3  PRO  65           HG1      PRO  65  48.053  -3.531  -7.221
  134    HD2  PRO  65           HD2      PRO  65  50.737  -3.501  -5.894
  135    HD3  PRO  65           HD1      PRO  65  49.827  -2.164  -6.627
  136    H    ALA  66           HN       ALA  66  46.744  -5.353  -2.910
  137    HA   ALA  66           HA       ALA  66  48.284  -5.326  -0.538
  138    HB1  ALA  66           HB1      ALA  66  46.142  -5.879  -0.031
  139    HB2  ALA  66           HB2      ALA  66  46.798  -7.510  -0.173
  140    HB3  ALA  66           HB3      ALA  66  45.909  -6.797  -1.519
  141    H    THR  67           HN       THR  67  48.348  -7.320  -3.392
  142    HA   THR  67           HA       THR  67  49.914  -9.420  -2.212
  143    HB   THR  67           HB       THR  67  50.258  -9.809  -4.852
  144    HG1  THR  67           HG1      THR  67  48.617  -8.971  -6.009
  145   HG21  THR  67          HG21      THR  67  48.705 -11.445  -4.728
  146   HG22  THR  67          HG22      THR  67  47.518 -10.415  -3.931
  147   HG23  THR  67          HG23      THR  67  48.857 -11.095  -3.007
  148    H    GLU  68           HN       GLU  68  50.662  -6.306  -2.980
  149    HA   GLU  68           HA       GLU  68  53.327  -6.890  -3.996
  150    HB2  GLU  68           HB2      GLU  68  51.568  -4.896  -4.609
  151    HB3  GLU  68           HB1      GLU  68  52.613  -4.089  -3.447
  152    HG2  GLU  68           HG2      GLU  68  53.977  -3.678  -5.142
  153    HG3  GLU  68           HG1      GLU  68  54.382  -5.393  -5.112
  154    H    LYS  69           HN       LYS  69  52.546  -7.564  -1.250
  155    HA   LYS  69           HA       LYS  69  53.434  -5.775   0.667
  156    HB2  LYS  69           HB2      LYS  69  53.645  -7.631   2.150
  157    HB3  LYS  69           HB1      LYS  69  52.298  -7.980   1.077
  158    HG2  LYS  69           HG2      LYS  69  55.077  -9.050   0.649
  159    HG3  LYS  69           HG1      LYS  69  53.826  -9.905   1.551
  160    HD2  LYS  69           HD2      LYS  69  52.373  -9.704  -0.500
  161    HD3  LYS  69           HD1      LYS  69  53.803  -9.131  -1.359
  162    HE2  LYS  69           HE2      LYS  69  53.979 -11.673   0.181
  163    HE3  LYS  69           HE1      LYS  69  53.130 -11.679  -1.364
  164    HZ1  LYS  69           HZ1      LYS  69  55.145 -10.707  -2.372
  165    HZ2  LYS  69           HZ2      LYS  69  55.412 -12.246  -1.722
  166    HZ3  LYS  69           HZ3      LYS  69  55.948 -10.873  -0.891
  167    H    GLN  70           HN       GLN  70  55.267  -7.709  -1.563
  168    HA   GLN  70           HA       GLN  70  57.765  -7.543  -0.208
  169    HB2  GLN  70           HB2      GLN  70  56.753  -8.664  -2.662
  170    HB3  GLN  70           HB1      GLN  70  58.260  -7.813  -2.969
  171    HG2  GLN  70           HG2      GLN  70  58.366  -9.489  -0.594
  172    HG3  GLN  70           HG1      GLN  70  58.007 -10.391  -2.066
  173   HE21  GLN  70          HE21      GLN  70  60.178  -7.820  -0.936
  174   HE22  GLN  70          HE22      GLN  70  61.578  -8.405  -1.761
  175    H    ILE  71           HN       ILE  71  56.229  -5.664  -2.763
  176    HA   ILE  71           HA       ILE  71  58.467  -3.881  -3.055
  177    HB   ILE  71           HB       ILE  71  55.657  -3.501  -4.085
  178   HG12  ILE  71          HG12      ILE  71  58.022  -4.820  -5.436
  179   HG13  ILE  71          HG11      ILE  71  56.611  -5.665  -4.808
  180   HG21  ILE  71          HG21      ILE  71  56.988  -2.221  -5.870
  181   HG22  ILE  71          HG22      ILE  71  58.304  -2.231  -4.696
  182   HG23  ILE  71          HG23      ILE  71  56.769  -1.460  -4.295
  183   HD11  ILE  71          HD11      ILE  71  55.645  -3.666  -6.524
  184   HD12  ILE  71          HD12      ILE  71  55.645  -5.413  -6.775
  185   HD13  ILE  71          HD13      ILE  71  56.998  -4.437  -7.351
  186    H    PHE  72           HN       PHE  72  55.462  -3.930  -1.271
  187    HA   PHE  72           HA       PHE  72  55.381  -1.176  -0.616
  188    HB2  PHE  72           HB2      PHE  72  53.371  -2.459  -0.391
  189    HB3  PHE  72           HB1      PHE  72  54.154  -3.610   0.684
  190    HD1  PHE  72           HD2      PHE  72  54.101   0.115   0.709
  191    HD2  PHE  72           HD1      PHE  72  53.070  -3.494   2.713
  192    HE1  PHE  72           HE2      PHE  72  53.333   1.417   2.651
  193    HE2  PHE  72           HE1      PHE  72  52.300  -2.200   4.658
  194    HZ   PHE  72           HZ       PHE  72  52.432   0.259   4.629
  195    H    GLU  73           HN       GLU  73  56.758  -4.003   0.986
  196    HA   GLU  73           HA       GLU  73  57.642  -2.530   3.278
  197    HB2  GLU  73           HB2      GLU  73  58.820  -4.603   3.883
  198    HB3  GLU  73           HB1      GLU  73  57.138  -4.908   3.470
  199    HG2  GLU  73           HG2      GLU  73  58.032  -6.580   2.269
  200    HG3  GLU  73           HG1      GLU  73  58.264  -5.306   1.073
  201    H    ASP  74           HN       ASP  74  59.058  -3.670   0.269
  202    HA   ASP  74           HA       ASP  74  61.715  -2.906   0.916
  203    HB2  ASP  74           HB2      ASP  74  60.286  -3.768  -1.554
  204    HB3  ASP  74           HB1      ASP  74  61.833  -2.947  -1.743
  205    H    HIS  75           HN       HIS  75  59.043  -1.377  -0.772
  206    HA   HIS  75           HA       HIS  75  60.369   0.877  -1.747
  207    HB2  HIS  75           HB2      HIS  75  58.129   0.276  -2.491
  208    HB3  HIS  75           HB1      HIS  75  57.493   0.559  -0.874
  209    HD1  HIS  75           HD1      HIS  75  57.782   2.194  -4.049
  210    HD2  HIS  75           HD2      HIS  75  57.975   3.404  -0.072
  211    HE1  HIS  75           HE1      HIS  75  57.390   4.696  -4.039
  212    H    VAL  76           HN       VAL  76  58.451   0.516   1.220
  213    HA   VAL  76           HA       VAL  76  59.013   3.059   2.276
  214    HB   VAL  76           HB       VAL  76  58.459   0.525   3.832
  215   HG11  VAL  76          HG11      VAL  76  57.467   3.104   4.823
  216   HG12  VAL  76          HG12      VAL  76  59.223   2.944   4.817
  217   HG13  VAL  76          HG13      VAL  76  58.234   1.773   5.689
  218   HG21  VAL  76          HG21      VAL  76  56.235   0.721   3.419
  219   HG22  VAL  76          HG22      VAL  76  56.834   1.436   1.923
  220   HG23  VAL  76          HG23      VAL  76  56.307   2.474   3.247
  221    H    PHE  77           HN       PHE  77  60.687  -0.012   2.440
  222    HA   PHE  77           HA       PHE  77  62.566   0.544   4.421
  223    HB2  PHE  77           HB2      PHE  77  62.163  -1.472   2.437
  224    HB3  PHE  77           HB1      PHE  77  63.848  -0.968   2.369
  225    HD1  PHE  77           HD2      PHE  77  61.222  -2.058   4.768
  226    HD2  PHE  77           HD1      PHE  77  65.375  -1.845   3.865
  227    HE1  PHE  77           HE2      PHE  77  61.716  -3.460   6.728
  228    HE2  PHE  77           HE1      PHE  77  65.877  -3.247   5.824
  229    HZ   PHE  77           HZ       PHE  77  64.047  -4.056   7.259
  230    H    CYS  78           HN       CYS  78  62.450   1.436   1.029
  231    HA   CYS  78           HA       CYS  78  65.090   2.402   0.848
  232    HB2  CYS  78           HB2      CYS  78  63.111   2.026  -0.966
  233    HB3  CYS  78           HB1      CYS  78  63.038   3.774  -0.780
  234    HG   CYS  78           HG       CYS  78  64.700   3.101  -2.711
  235    H    HIS  79           HN       HIS  79  62.032   4.017   1.576
  236    HA   HIS  79           HA       HIS  79  63.152   6.588   1.957
  237    HB2  HIS  79           HB2      HIS  79  60.657   5.312   3.100
  238    HB3  HIS  79           HB1      HIS  79  61.081   7.002   3.343
  239    HD1  HIS  79           HD1      HIS  79  61.133   8.498   1.083
  240    HD2  HIS  79           HD2      HIS  79  59.364   4.751   0.806
  241    HE1  HIS  79           HE1      HIS  79  59.729   8.530  -1.022
  242    H    SER  80           HN       SER  80  63.293   3.685   3.733
  243    HA   SER  80           HA       SER  80  63.716   4.844   6.325
  244    HB2  SER  80           HB2      SER  80  63.029   2.356   5.500
  245    HB3  SER  80           HB1      SER  80  64.749   2.126   5.811
  246    HG   SER  80           HG       SER  80  64.251   3.206   7.903
  247    H    LEU  81           HN       LEU  81  65.645   4.407   3.563
  248    HA   LEU  81           HA       LEU  81  68.152   4.137   4.906
  249    HB2  LEU  81           HB2      LEU  81  67.592   4.968   2.067
  250    HB3  LEU  81           HB1      LEU  81  69.137   4.432   2.708
  251    HG   LEU  81           HG       LEU  81  66.794   2.625   2.972
  252   HD11  LEU  81          HD11      LEU  81  66.986   1.773   0.773
  253   HD12  LEU  81          HD12      LEU  81  68.429   2.733   0.445
  254   HD13  LEU  81          HD13      LEU  81  66.860   3.523   0.602
  255   HD21  LEU  81          HD21      LEU  81  68.497   0.911   2.756
  256   HD22  LEU  81          HD22      LEU  81  68.964   2.079   3.993
  257   HD23  LEU  81          HD23      LEU  81  69.716   2.135   2.399
  Start of MODEL    2
    1    H1   GLN  49           HT1      GLN  49  38.266  -0.052  11.646
    2    H2   GLN  49           HT2      GLN  49  37.338  -0.742  12.913
    3    H3   GLN  49           HT3      GLN  49  36.571   0.195  11.696
    4    HA   GLN  49           HA       GLN  49  37.829  -2.448  11.443
    5    HB2  GLN  49           HB2      GLN  49  35.149  -1.404  11.810
    6    HB3  GLN  49           HB1      GLN  49  35.258  -2.345  10.328
    7    HG2  GLN  49           HG2      GLN  49  34.563  -3.707  12.227
    8    HG3  GLN  49           HG1      GLN  49  36.102  -4.247  11.561
    9   HE21  GLN  49          HE21      GLN  49  34.501  -3.744  14.344
   10   HE22  GLN  49          HE22      GLN  49  35.827  -3.461  15.414
   11    H    MET  50           HN       MET  50  37.056  -3.333   9.172
   12    HA   MET  50           HA       MET  50  37.358  -3.302   6.918
   13    HB2  MET  50           HB2      MET  50  36.281  -0.604   7.513
   14    HB3  MET  50           HB1      MET  50  37.045  -0.812   5.943
   15    HG2  MET  50           HG2      MET  50  35.136  -2.912   6.706
   16    HG3  MET  50           HG1      MET  50  34.447  -1.309   6.451
   17    HE1  MET  50           HE1      MET  50  33.319  -0.968   4.226
   18    HE2  MET  50           HE2      MET  50  34.326  -0.835   2.784
   19    HE3  MET  50           HE3      MET  50  34.740   0.077   4.236
   20    H    GLN  51           HN       GLN  51  38.937  -2.879   5.331
   21    HA   GLN  51           HA       GLN  51  41.051  -0.989   5.886
   22    HB2  GLN  51           HB2      GLN  51  42.823  -2.767   5.780
   23    HB3  GLN  51           HB1      GLN  51  41.857  -2.777   7.248
   24    HG2  GLN  51           HG2      GLN  51  40.608  -4.662   6.505
   25    HG3  GLN  51           HG1      GLN  51  41.324  -4.572   4.896
   26   HE21  GLN  51          HE21      GLN  51  41.767  -6.864   5.420
   27   HE22  GLN  51          HE22      GLN  51  43.234  -7.235   6.251
   28    HA   PRO  52           HA       PRO  52  41.102  -0.733   1.472
   29    HB2  PRO  52           HB2      PRO  52  44.042  -0.387   1.785
   30    HB3  PRO  52           HB1      PRO  52  42.871   0.637   0.947
   31    HG2  PRO  52           HG2      PRO  52  43.872   1.367   3.304
   32    HG3  PRO  52           HG1      PRO  52  42.171   1.667   2.903
   33    HD2  PRO  52           HD2      PRO  52  43.365  -0.418   4.677
   34    HD3  PRO  52           HD1      PRO  52  41.847   0.487   4.857
   35    H    LEU  53           HN       LEU  53  42.398  -1.629  -0.429
   36    HA   LEU  53           HA       LEU  53  43.279  -4.362   0.198
   37    HB2  LEU  53           HB2      LEU  53  41.084  -3.982  -1.100
   38    HB3  LEU  53           HB1      LEU  53  42.117  -3.530  -2.441
   39    HG   LEU  53           HG       LEU  53  42.925  -6.069  -1.281
   40   HD11  LEU  53          HD11      LEU  53  40.914  -7.270  -2.296
   41   HD12  LEU  53          HD12      LEU  53  40.078  -5.724  -2.161
   42   HD13  LEU  53          HD13      LEU  53  40.701  -6.517  -0.715
   43   HD21  LEU  53          HD21      LEU  53  42.325  -4.906  -3.954
   44   HD22  LEU  53          HD22      LEU  53  42.355  -6.662  -3.785
   45   HD23  LEU  53          HD23      LEU  53  43.782  -5.712  -3.370
   46    H    CYS  54           HN       CYS  54  44.875  -1.876  -0.007
   47    HA   CYS  54           HA       CYS  54  47.120  -2.865  -1.314
   48    HB2  CYS  54           HB2      CYS  54  47.167  -1.185  -3.246
   49    HB3  CYS  54           HB1      CYS  54  46.124  -2.590  -3.435
   50    HG   CYS  54           HG       CYS  54  45.218   0.288  -3.421
   51    H    PHE  55           HN       PHE  55  48.925  -1.535  -1.041
   52    HA   PHE  55           HA       PHE  55  48.424   0.876   0.571
   53    HB2  PHE  55           HB2      PHE  55  50.770  -1.029   0.537
   54    HB3  PHE  55           HB1      PHE  55  50.774   0.502   1.406
   55    HD1  PHE  55           HD1      PHE  55  49.093   0.855   3.241
   56    HD2  PHE  55           HD2      PHE  55  49.789  -2.946   1.459
   57    HE1  PHE  55           HE1      PHE  55  48.046  -0.242   5.180
   58    HE2  PHE  55           HE2      PHE  55  48.743  -4.049   3.393
   59    HZ   PHE  55           HZ       PHE  55  47.870  -2.696   5.257
   60    H    ASN  56           HN       ASN  56  49.531   2.774   0.125
   61    HA   ASN  56           HA       ASN  56  50.981   2.816  -2.440
   62    HB2  ASN  56           HB2      ASN  56  49.262   5.034  -1.312
   63    HB3  ASN  56           HB1      ASN  56  50.059   5.015  -2.883
   64   HD21  ASN  56          HD21      ASN  56  47.792   5.495  -3.518
   65   HD22  ASN  56          HD22      ASN  56  46.754   4.152  -3.847
   66    H    CYS  57           HN       CYS  57  52.935   3.761  -2.482
   67    HA   CYS  57           HA       CYS  57  54.171   4.502  -0.013
   68    HB2  CYS  57           HB2      CYS  57  55.526   3.369  -1.620
   69    HB3  CYS  57           HB1      CYS  57  55.121   4.532  -2.874
   70    HA   PRO  58           HA       PRO  58  52.808   8.778  -0.399
   71    HB2  PRO  58           HB2      PRO  58  54.250   9.209   2.105
   72    HB3  PRO  58           HB1      PRO  58  52.522   9.337   1.777
   73    HG2  PRO  58           HG2      PRO  58  53.586   7.360   3.290
   74    HG3  PRO  58           HG1      PRO  58  52.124   7.143   2.313
   75    HD2  PRO  58           HD2      PRO  58  54.932   6.280   1.749
   76    HD3  PRO  58           HD1      PRO  58  53.403   5.427   1.444
   77    H    ILE  59           HN       ILE  59  56.035   7.572  -0.130
   78    HA   ILE  59           HA       ILE  59  57.353  10.103  -0.229
   79    HB   ILE  59           HB       ILE  59  58.469   7.401  -0.972
   80   HG12  ILE  59          HG12      ILE  59  59.325   8.342   1.594
   81   HG13  ILE  59          HG11      ILE  59  57.565   8.367   1.546
   82   HG21  ILE  59          HG21      ILE  59  60.588   8.664  -0.096
   83   HG22  ILE  59          HG22      ILE  59  59.658  10.099  -0.525
   84   HG23  ILE  59          HG23      ILE  59  60.035   8.892  -1.755
   85   HD11  ILE  59          HD11      ILE  59  57.447   6.160   1.711
   86   HD12  ILE  59          HD12      ILE  59  59.165   6.198   2.104
   87   HD13  ILE  59          HD13      ILE  59  58.645   5.922   0.442
   88    H    CYS  60           HN       CYS  60  56.876   7.546  -2.716
   89    HA   CYS  60           HA       CYS  60  57.325   9.663  -4.723
   90    HB2  CYS  60           HB2      CYS  60  58.291   8.082  -6.202
   91    HB3  CYS  60           HB1      CYS  60  59.042   7.817  -4.633
   92    H    ASP  61           HN       ASP  61  54.927   7.873  -3.369
   93    HA   ASP  61           HA       ASP  61  52.708   7.772  -3.913
   94    HB2  ASP  61           HB2      ASP  61  53.297   9.715  -5.522
   95    HB3  ASP  61           HB1      ASP  61  53.292   8.477  -6.775
   96    H    LYS  62           HN       LYS  62  54.781   5.648  -4.302
   97    HA   LYS  62           HA       LYS  62  54.042   4.058  -6.524
   98    HB2  LYS  62           HB2      LYS  62  56.143   3.873  -5.036
   99    HB3  LYS  62           HB1      LYS  62  55.129   2.935  -3.952
  100    HG2  LYS  62           HG2      LYS  62  56.502   1.565  -5.490
  101    HG3  LYS  62           HG1      LYS  62  54.770   1.264  -5.620
  102    HD2  LYS  62           HD2      LYS  62  54.623   2.515  -7.640
  103    HD3  LYS  62           HD1      LYS  62  56.261   3.140  -7.444
  104    HE2  LYS  62           HE2      LYS  62  56.780   0.509  -7.422
  105    HE3  LYS  62           HE1      LYS  62  55.332   0.511  -8.427
  106    HZ1  LYS  62           HZ1      LYS  62  56.361   1.698 -10.068
  107    HZ2  LYS  62           HZ2      LYS  62  57.681   0.820  -9.481
  108    HZ3  LYS  62           HZ3      LYS  62  57.467   2.433  -9.022
  109    H    ILE  63           HN       ILE  63  53.045   1.837  -6.280
  110    HA   ILE  63           HA       ILE  63  50.951   1.770  -4.224
  111    HB   ILE  63           HB       ILE  63  50.376   1.179  -7.126
  112   HG12  ILE  63          HG12      ILE  63  48.884   3.366  -6.595
  113   HG13  ILE  63          HG11      ILE  63  50.285   3.710  -5.584
  114   HG21  ILE  63          HG21      ILE  63  48.886   0.952  -4.600
  115   HG22  ILE  63          HG22      ILE  63  48.704   0.063  -6.113
  116   HG23  ILE  63          HG23      ILE  63  47.997   1.670  -5.944
  117   HD11  ILE  63          HD11      ILE  63  50.225   4.583  -8.008
  118   HD12  ILE  63          HD12      ILE  63  50.645   2.927  -8.441
  119   HD13  ILE  63          HD13      ILE  63  51.712   3.861  -7.393
  120    H    PHE  64           HN       PHE  64  50.319  -0.246  -3.567
  121    HA   PHE  64           HA       PHE  64  51.370  -2.600  -4.922
  122    HB2  PHE  64           HB2      PHE  64  51.965  -1.956  -2.025
  123    HB3  PHE  64           HB1      PHE  64  52.275  -3.510  -2.790
  124    HD1  PHE  64           HD2      PHE  64  53.932  -3.613  -4.683
  125    HD2  PHE  64           HD1      PHE  64  53.499  -0.203  -2.175
  126    HE1  PHE  64           HE2      PHE  64  56.162  -2.830  -5.369
  127    HE2  PHE  64           HE1      PHE  64  55.727   0.586  -2.855
  128    HZ   PHE  64           HZ       PHE  64  57.062  -0.730  -4.452
  129    HA   PRO  65           HA       PRO  65  47.387  -4.120  -3.706
  130    HB2  PRO  65           HB2      PRO  65  47.843  -6.800  -3.889
  131    HB3  PRO  65           HB1      PRO  65  47.605  -5.761  -5.297
  132    HG2  PRO  65           HG2      PRO  65  50.148  -6.790  -4.110
  133    HG3  PRO  65           HG1      PRO  65  49.685  -6.648  -5.815
  134    HD2  PRO  65           HD2      PRO  65  51.316  -4.863  -4.594
  135    HD3  PRO  65           HD1      PRO  65  50.207  -4.405  -5.901
  136    H    ALA  66           HN       ALA  66  46.329  -5.063  -1.939
  137    HA   ALA  66           HA       ALA  66  47.469  -4.803   0.549
  138    HB1  ALA  66           HB1      ALA  66  45.567  -6.507   1.201
  139    HB2  ALA  66           HB2      ALA  66  45.065  -6.225  -0.466
  140    HB3  ALA  66           HB3      ALA  66  45.190  -4.872   0.658
  141    H    THR  67           HN       THR  67  47.629  -7.528  -1.613
  142    HA   THR  67           HA       THR  67  48.542  -9.389   0.376
  143    HB   THR  67           HB       THR  67  49.232 -10.594  -1.913
  144    HG1  THR  67           HG1      THR  67  48.202  -9.834  -3.619
  145   HG21  THR  67          HG21      THR  67  47.162 -11.704  -1.958
  146   HG22  THR  67          HG22      THR  67  46.324 -10.332  -1.230
  147   HG23  THR  67          HG23      THR  67  47.454 -11.287  -0.269
  148    H    GLU  68           HN       GLU  68  49.987  -6.963  -1.571
  149    HA   GLU  68           HA       GLU  68  52.637  -8.136  -1.283
  150    HB2  GLU  68           HB2      GLU  68  51.489  -5.962  -2.975
  151    HB3  GLU  68           HB1      GLU  68  53.213  -5.955  -2.638
  152    HG2  GLU  68           HG2      GLU  68  53.287  -8.310  -3.504
  153    HG3  GLU  68           HG1      GLU  68  51.624  -8.086  -4.040
  154    H    LYS  69           HN       LYS  69  51.242  -7.150   1.045
  155    HA   LYS  69           HA       LYS  69  52.008  -4.592   1.838
  156    HB2  LYS  69           HB2      LYS  69  51.688  -5.378   4.135
  157    HB3  LYS  69           HB1      LYS  69  50.398  -5.949   3.086
  158    HG2  LYS  69           HG2      LYS  69  50.968  -8.114   3.336
  159    HG3  LYS  69           HG1      LYS  69  52.697  -7.764   3.396
  160    HD2  LYS  69           HD2      LYS  69  52.704  -7.520   5.648
  161    HD3  LYS  69           HD1      LYS  69  51.094  -6.796   5.679
  162    HE2  LYS  69           HE2      LYS  69  50.542  -8.779   6.614
  163    HE3  LYS  69           HE1      LYS  69  50.446  -9.286   4.928
  164    HZ1  LYS  69           HZ1      LYS  69  52.482 -10.358   5.052
  165    HZ2  LYS  69           HZ2      LYS  69  51.789 -10.711   6.554
  166    HZ3  LYS  69           HZ3      LYS  69  52.975  -9.511   6.432
  167    H    GLN  70           HN       GLN  70  53.840  -7.529   1.602
  168    HA   GLN  70           HA       GLN  70  55.989  -6.797   3.300
  169    HB2  GLN  70           HB2      GLN  70  55.579  -9.121   2.639
  170    HB3  GLN  70           HB1      GLN  70  55.933  -8.716   0.965
  171    HG2  GLN  70           HG2      GLN  70  57.841  -9.792   1.904
  172    HG3  GLN  70           HG1      GLN  70  58.229  -8.090   1.656
  173   HE21  GLN  70          HE21      GLN  70  58.370  -6.717   3.463
  174   HE22  GLN  70          HE22      GLN  70  58.638  -7.345   5.050
  175    H    ILE  71           HN       ILE  71  55.396  -6.431  -0.155
  176    HA   ILE  71           HA       ILE  71  57.954  -5.301  -0.731
  177    HB   ILE  71           HB       ILE  71  55.398  -5.146  -2.338
  178   HG12  ILE  71          HG12      ILE  71  56.863  -6.927  -3.671
  179   HG13  ILE  71          HG11      ILE  71  57.541  -7.204  -2.070
  180   HG21  ILE  71          HG21      ILE  71  58.254  -4.702  -3.200
  181   HG22  ILE  71          HG22      ILE  71  57.051  -3.436  -2.954
  182   HG23  ILE  71          HG23      ILE  71  56.825  -4.630  -4.233
  183   HD11  ILE  71          HD11      ILE  71  54.666  -7.126  -1.969
  184   HD12  ILE  71          HD12      ILE  71  55.780  -8.395  -1.460
  185   HD13  ILE  71          HD13      ILE  71  55.236  -8.319  -3.137
  186    H    PHE  72           HN       PHE  72  54.842  -4.038   0.235
  187    HA   PHE  72           HA       PHE  72  55.333  -1.324  -0.426
  188    HB2  PHE  72           HB2      PHE  72  53.065  -1.999  -0.104
  189    HB3  PHE  72           HB1      PHE  72  53.415  -2.645   1.495
  190    HD1  PHE  72           HD2      PHE  72  53.758   0.603  -0.321
  191    HD2  PHE  72           HD1      PHE  72  52.667  -1.408   3.268
  192    HE1  PHE  72           HE2      PHE  72  53.114   2.754   0.684
  193    HE2  PHE  72           HE1      PHE  72  52.019   0.739   4.279
  194    HZ   PHE  72           HZ       PHE  72  52.243   2.824   2.987
  195    H    GLU  73           HN       GLU  73  55.904  -3.266   2.456
  196    HA   GLU  73           HA       GLU  73  56.728  -1.065   4.079
  197    HB2  GLU  73           HB2      GLU  73  57.075  -4.052   4.376
  198    HB3  GLU  73           HB1      GLU  73  57.615  -2.890   5.580
  199    HG2  GLU  73           HG2      GLU  73  55.043  -2.122   5.259
  200    HG3  GLU  73           HG1      GLU  73  54.916  -3.856   4.960
  201    H    ASP  74           HN       ASP  74  58.307  -3.451   2.051
  202    HA   ASP  74           HA       ASP  74  60.951  -2.751   2.791
  203    HB2  ASP  74           HB2      ASP  74  59.673  -4.532   0.847
  204    HB3  ASP  74           HB1      ASP  74  61.191  -3.844   0.279
  205    H    HIS  75           HN       HIS  75  58.849  -1.887   0.092
  206    HA   HIS  75           HA       HIS  75  60.608  -0.336  -1.387
  207    HB2  HIS  75           HB2      HIS  75  58.430  -0.945  -2.255
  208    HB3  HIS  75           HB1      HIS  75  57.629  -0.018  -0.990
  209    HD1  HIS  75           HD1      HIS  75  58.739   0.267  -4.424
  210    HD2  HIS  75           HD2      HIS  75  58.252   2.861  -1.208
  211    HE1  HIS  75           HE1      HIS  75  58.653   2.604  -5.395
  212    H    VAL  76           HN       VAL  76  58.307   0.749   1.090
  213    HA   VAL  76           HA       VAL  76  59.109   3.432   1.161
  214    HB   VAL  76           HB       VAL  76  58.011   1.762   3.434
  215   HG11  VAL  76          HG11      VAL  76  58.730   4.591   3.199
  216   HG12  VAL  76          HG12      VAL  76  58.474   3.598   4.635
  217   HG13  VAL  76          HG13      VAL  76  57.095   4.312   3.799
  218   HG21  VAL  76          HG21      VAL  76  56.268   3.618   1.943
  219   HG22  VAL  76          HG22      VAL  76  55.923   2.023   2.613
  220   HG23  VAL  76          HG23      VAL  76  56.777   2.169   1.077
  221    H    PHE  77           HN       PHE  77  60.306   0.566   2.781
  222    HA   PHE  77           HA       PHE  77  62.034   1.728   4.637
  223    HB2  PHE  77           HB2      PHE  77  61.417  -0.835   3.956
  224    HB3  PHE  77           HB1      PHE  77  63.042  -0.704   3.296
  225    HD1  PHE  77           HD2      PHE  77  64.659   0.659   5.053
  226    HD2  PHE  77           HD1      PHE  77  61.318  -1.790   6.026
  227    HE1  PHE  77           HE2      PHE  77  65.600   0.272   7.292
  228    HE2  PHE  77           HE1      PHE  77  62.253  -2.182   8.268
  229    HZ   PHE  77           HZ       PHE  77  64.397  -1.151   8.903
  230    H    CYS  78           HN       CYS  78  62.343   1.212   1.191
  231    HA   CYS  78           HA       CYS  78  65.109   1.737   1.015
  232    HB2  CYS  78           HB2      CYS  78  63.446   0.758  -0.769
  233    HB3  CYS  78           HB1      CYS  78  63.237   2.448  -1.213
  234    HG   CYS  78           HG       CYS  78  65.823   0.804  -1.617
  235    H    HIS  79           HN       HIS  79  62.266   3.799   0.642
  236    HA   HIS  79           HA       HIS  79  63.710   6.187   0.171
  237    HB2  HIS  79           HB2      HIS  79  60.958   5.722   1.339
  238    HB3  HIS  79           HB1      HIS  79  61.603   7.319   0.974
  239    HD1  HIS  79           HD1      HIS  79  62.049   7.807  -1.639
  240    HD2  HIS  79           HD2      HIS  79  59.861   4.394  -0.742
  241    HE1  HIS  79           HE1      HIS  79  60.890   7.122  -3.782
  242    H    SER  80           HN       SER  80  63.269   4.222   2.916
  243    HA   SER  80           HA       SER  80  63.611   6.263   4.905
  244    HB2  SER  80           HB2      SER  80  62.986   3.471   4.866
  245    HB3  SER  80           HB1      SER  80  64.341   3.733   5.964
  246    HG   SER  80           HG       SER  80  61.762   4.886   6.042
  247    H    LEU  81           HN       LEU  81  65.698   4.616   2.801
  248    HA   LEU  81           HA       LEU  81  68.015   4.648   4.472
  249    HB2  LEU  81           HB2      LEU  81  67.822   4.362   1.482
  250    HB3  LEU  81           HB1      LEU  81  69.220   3.978   2.473
  251    HG   LEU  81           HG       LEU  81  66.643   2.634   3.090
  252   HD11  LEU  81          HD11      LEU  81  68.482   1.682   0.896
  253   HD12  LEU  81          HD12      LEU  81  66.951   2.507   0.608
  254   HD13  LEU  81          HD13      LEU  81  66.970   0.946   1.426
  255   HD21  LEU  81          HD21      LEU  81  67.943   1.129   4.172
  256   HD22  LEU  81          HD22      LEU  81  69.067   2.487   4.212
  257   HD23  LEU  81          HD23      LEU  81  69.245   1.231   2.986
  Start of MODEL    3
    1    H1   GLN  49           HT1      GLN  49  37.927   0.239   3.403
    2    H2   GLN  49           HT2      GLN  49  38.536  -1.287   2.904
    3    H3   GLN  49           HT3      GLN  49  36.876  -1.113   3.305
    4    HA   GLN  49           HA       GLN  49  37.473  -1.209   0.896
    5    HB2  GLN  49           HB2      GLN  49  35.720   0.656   2.377
    6    HB3  GLN  49           HB1      GLN  49  35.948   1.026   0.674
    7    HG2  GLN  49           HG2      GLN  49  35.148  -1.706   1.611
    8    HG3  GLN  49           HG1      GLN  49  33.967  -0.432   1.308
    9   HE21  GLN  49          HE21      GLN  49  33.300  -2.223  -0.222
   10   HE22  GLN  49          HE22      GLN  49  33.957  -2.156  -1.818
   11    H    MET  50           HN       MET  50  39.851  -0.017   2.103
   12    HA   MET  50           HA       MET  50  40.640   1.630  -0.085
   13    HB2  MET  50           HB2      MET  50  39.878   2.890   2.487
   14    HB3  MET  50           HB1      MET  50  41.362   3.465   1.741
   15    HG2  MET  50           HG2      MET  50  39.704   3.506  -0.384
   16    HG3  MET  50           HG1      MET  50  38.564   3.828   0.922
   17    HE1  MET  50           HE1      MET  50  38.577   6.024  -1.073
   18    HE2  MET  50           HE2      MET  50  38.912   7.472  -0.125
   19    HE3  MET  50           HE3      MET  50  37.849   6.222   0.520
   20    H    GLN  51           HN       GLN  51  41.373   0.731   3.257
   21    HA   GLN  51           HA       GLN  51  44.222   0.670   2.656
   22    HB2  GLN  51           HB2      GLN  51  42.586   0.873   5.071
   23    HB3  GLN  51           HB1      GLN  51  43.936  -0.240   5.248
   24    HG2  GLN  51           HG2      GLN  51  45.195   1.832   4.095
   25    HG3  GLN  51           HG1      GLN  51  43.915   2.688   4.955
   26   HE21  GLN  51          HE21      GLN  51  46.963   2.147   5.262
   27   HE22  GLN  51          HE22      GLN  51  47.121   1.830   6.953
   28    HA   PRO  52           HA       PRO  52  43.279  -3.960   4.153
   29    HB2  PRO  52           HB2      PRO  52  40.485  -4.006   3.107
   30    HB3  PRO  52           HB1      PRO  52  41.178  -4.843   4.501
   31    HG2  PRO  52           HG2      PRO  52  39.644  -2.700   4.843
   32    HG3  PRO  52           HG1      PRO  52  41.082  -2.956   5.849
   33    HD2  PRO  52           HD2      PRO  52  40.670  -1.077   3.570
   34    HD3  PRO  52           HD1      PRO  52  41.619  -0.862   5.055
   35    H    LEU  53           HN       LEU  53  43.406  -5.795   2.770
   36    HA   LEU  53           HA       LEU  53  43.901  -6.865   0.828
   37    HB2  LEU  53           HB2      LEU  53  41.406  -6.119   0.522
   38    HB3  LEU  53           HB1      LEU  53  42.081  -5.027  -0.672
   39    HG   LEU  53           HG       LEU  53  42.941  -7.834  -0.936
   40   HD11  LEU  53          HD11      LEU  53  40.675  -8.277  -0.301
   41   HD12  LEU  53          HD12      LEU  53  40.811  -8.471  -2.049
   42   HD13  LEU  53          HD13      LEU  53  40.076  -7.015  -1.377
   43   HD21  LEU  53          HD21      LEU  53  42.253  -5.513  -2.650
   44   HD22  LEU  53          HD22      LEU  53  42.064  -7.125  -3.338
   45   HD23  LEU  53          HD23      LEU  53  43.634  -6.607  -2.722
   46    H    CYS  54           HN       CYS  54  45.226  -4.230   1.580
   47    HA   CYS  54           HA       CYS  54  47.107  -4.116  -0.465
   48    HB2  CYS  54           HB2      CYS  54  46.563  -1.901  -1.477
   49    HB3  CYS  54           HB1      CYS  54  45.405  -3.160  -1.888
   50    HG   CYS  54           HG       CYS  54  43.972  -1.969   0.188
   51    H    PHE  55           HN       PHE  55  48.145  -1.668  -0.383
   52    HA   PHE  55           HA       PHE  55  48.149  -0.713   2.370
   53    HB2  PHE  55           HB2      PHE  55  50.553  -1.862   0.957
   54    HB3  PHE  55           HB1      PHE  55  50.703  -0.752   2.315
   55    HD1  PHE  55           HD1      PHE  55  49.101  -1.466   4.374
   56    HD2  PHE  55           HD2      PHE  55  50.740  -4.086   1.448
   57    HE1  PHE  55           HE1      PHE  55  48.876  -3.349   5.941
   58    HE2  PHE  55           HE2      PHE  55  50.515  -5.975   3.010
   59    HZ   PHE  55           HZ       PHE  55  49.583  -5.607   5.260
   60    H    ASN  56           HN       ASN  56  49.792   1.210   2.505
   61    HA   ASN  56           HA       ASN  56  50.001   2.681   0.006
   62    HB2  ASN  56           HB2      ASN  56  47.922   3.183   1.960
   63    HB3  ASN  56           HB1      ASN  56  48.953   4.596   1.764
   64   HD21  ASN  56          HD21      ASN  56  47.044   2.229  -0.019
   65   HD22  ASN  56          HD22      ASN  56  46.633   3.279  -1.327
   66    H    CYS  57           HN       CYS  57  51.843   3.802  -0.063
   67    HA   CYS  57           HA       CYS  57  53.598   3.808   2.196
   68    HB2  CYS  57           HB2      CYS  57  54.597   3.547   0.040
   69    HB3  CYS  57           HB1      CYS  57  53.813   4.997  -0.573
   70    HA   PRO  58           HA       PRO  58  51.839   7.649   3.750
   71    HB2  PRO  58           HB2      PRO  58  53.318   7.757   6.021
   72    HB3  PRO  58           HB1      PRO  58  51.910   6.704   5.839
   73    HG2  PRO  58           HG2      PRO  58  54.819   6.041   5.571
   74    HG3  PRO  58           HG1      PRO  58  53.535   5.133   6.394
   75    HD2  PRO  58           HD2      PRO  58  54.422   4.473   3.927
   76    HD3  PRO  58           HD1      PRO  58  52.737   4.232   4.427
   77    H    ILE  59           HN       ILE  59  55.085   7.004   2.814
   78    HA   ILE  59           HA       ILE  59  56.123   9.590   3.496
   79    HB   ILE  59           HB       ILE  59  57.295   7.617   1.539
   80   HG12  ILE  59          HG12      ILE  59  58.703   7.474   3.949
   81   HG13  ILE  59          HG11      ILE  59  57.010   7.490   4.432
   82   HG21  ILE  59          HG21      ILE  59  58.267  10.094   2.885
   83   HG22  ILE  59          HG22      ILE  59  58.480   9.559   1.218
   84   HG23  ILE  59          HG23      ILE  59  59.415   8.808   2.511
   85   HD11  ILE  59          HD11      ILE  59  57.927   5.647   2.274
   86   HD12  ILE  59          HD12      ILE  59  56.557   5.497   3.374
   87   HD13  ILE  59          HD13      ILE  59  58.197   5.242   3.970
   88    H    CYS  60           HN       CYS  60  55.300   8.031   0.361
   89    HA   CYS  60           HA       CYS  60  55.096  10.759  -0.740
   90    HB2  CYS  60           HB2      CYS  60  55.669   9.919  -2.900
   91    HB3  CYS  60           HB1      CYS  60  56.849   9.292  -1.755
   92    H    ASP  61           HN       ASP  61  53.229   8.206   0.265
   93    HA   ASP  61           HA       ASP  61  50.960   7.962   0.244
   94    HB2  ASP  61           HB2      ASP  61  51.173  10.531  -0.606
   95    HB3  ASP  61           HB1      ASP  61  50.415   9.788  -2.011
   96    H    LYS  62           HN       LYS  62  52.732   6.362  -1.289
   97    HA   LYS  62           HA       LYS  62  51.445   5.881  -3.833
   98    HB2  LYS  62           HB2      LYS  62  53.969   5.536  -3.165
   99    HB3  LYS  62           HB1      LYS  62  53.399   3.962  -2.633
  100    HG2  LYS  62           HG2      LYS  62  53.450   3.203  -4.710
  101    HG3  LYS  62           HG1      LYS  62  52.367   4.491  -5.240
  102    HD2  LYS  62           HD2      LYS  62  54.570   5.927  -5.140
  103    HD3  LYS  62           HD1      LYS  62  55.340   4.350  -5.314
  104    HE2  LYS  62           HE2      LYS  62  54.914   5.569  -7.465
  105    HE3  LYS  62           HE1      LYS  62  54.235   3.945  -7.377
  106    HZ1  LYS  62           HZ1      LYS  62  52.797   5.868  -8.272
  107    HZ2  LYS  62           HZ2      LYS  62  52.587   6.271  -6.642
  108    HZ3  LYS  62           HZ3      LYS  62  52.100   4.753  -7.207
  109    H    ILE  63           HN       ILE  63  51.185   3.290  -4.212
  110    HA   ILE  63           HA       ILE  63  49.686   2.147  -1.973
  111    HB   ILE  63           HB       ILE  63  48.531   2.239  -4.756
  112   HG12  ILE  63          HG12      ILE  63  46.834   3.741  -3.268
  113   HG13  ILE  63          HG11      ILE  63  48.368   4.163  -2.514
  114   HG21  ILE  63          HG21      ILE  63  47.411   1.374  -2.096
  115   HG22  ILE  63          HG22      ILE  63  47.784   0.345  -3.477
  116   HG23  ILE  63          HG23      ILE  63  46.470   1.517  -3.580
  117   HD11  ILE  63          HD11      ILE  63  47.579   5.649  -4.393
  118   HD12  ILE  63          HD12      ILE  63  47.937   4.307  -5.478
  119   HD13  ILE  63          HD13      ILE  63  49.227   5.035  -4.522
  120    H    PHE  64           HN       PHE  64  49.445  -0.118  -2.048
  121    HA   PHE  64           HA       PHE  64  50.679  -1.590  -4.227
  122    HB2  PHE  64           HB2      PHE  64  51.765  -1.598  -1.410
  123    HB3  PHE  64           HB1      PHE  64  52.100  -2.883  -2.564
  124    HD1  PHE  64           HD2      PHE  64  52.538   0.719  -1.900
  125    HD2  PHE  64           HD1      PHE  64  53.740  -2.630  -4.231
  126    HE1  PHE  64           HE2      PHE  64  54.431   2.020  -2.786
  127    HE2  PHE  64           HE1      PHE  64  55.635  -1.339  -5.120
  128    HZ   PHE  64           HZ       PHE  64  55.983   0.989  -4.396
  129    HA   PRO  65           HA       PRO  65  47.275  -4.256  -3.174
  130    HB2  PRO  65           HB2      PRO  65  48.215  -6.532  -4.417
  131    HB3  PRO  65           HB1      PRO  65  47.352  -5.227  -5.235
  132    HG2  PRO  65           HG2      PRO  65  50.283  -5.770  -5.097
  133    HG3  PRO  65           HG1      PRO  65  49.313  -5.186  -6.459
  134    HD2  PRO  65           HD2      PRO  65  50.858  -3.536  -4.993
  135    HD3  PRO  65           HD1      PRO  65  49.315  -3.008  -5.693
  136    H    ALA  66           HN       ALA  66  46.802  -5.911  -1.734
  137    HA   ALA  66           HA       ALA  66  48.506  -6.276   0.423
  138    HB1  ALA  66           HB1      ALA  66  46.320  -6.676   0.963
  139    HB2  ALA  66           HB2      ALA  66  46.921  -8.329   0.835
  140    HB3  ALA  66           HB3      ALA  66  46.013  -7.615  -0.499
  141    H    THR  67           HN       THR  67  48.411  -7.971  -2.586
  142    HA   THR  67           HA       THR  67  49.760 -10.324  -1.646
  143    HB   THR  67           HB       THR  67  50.124 -10.431  -4.310
  144    HG1  THR  67           HG1      THR  67  48.373  -9.423  -5.316
  145   HG21  THR  67          HG21      THR  67  47.516 -10.971  -2.913
  146   HG22  THR  67          HG22      THR  67  48.863 -12.093  -3.106
  147   HG23  THR  67          HG23      THR  67  47.954 -11.554  -4.518
  148    H    GLU  68           HN       GLU  68  50.690  -7.198  -2.780
  149    HA   GLU  68           HA       GLU  68  53.440  -8.082  -3.179
  150    HB2  GLU  68           HB2      GLU  68  51.880  -5.691  -4.043
  151    HB3  GLU  68           HB1      GLU  68  53.623  -5.541  -3.877
  152    HG2  GLU  68           HG2      GLU  68  53.223  -6.066  -6.132
  153    HG3  GLU  68           HG1      GLU  68  53.824  -7.547  -5.388
  154    H    LYS  69           HN       LYS  69  52.311  -7.970  -0.531
  155    HA   LYS  69           HA       LYS  69  52.906  -5.688   0.923
  156    HB2  LYS  69           HB2      LYS  69  53.072  -7.129   2.877
  157    HB3  LYS  69           HB1      LYS  69  51.744  -7.654   1.853
  158    HG2  LYS  69           HG2      LYS  69  52.679  -9.669   2.309
  159    HG3  LYS  69           HG1      LYS  69  53.605  -9.249   0.866
  160    HD2  LYS  69           HD2      LYS  69  55.409  -9.649   2.135
  161    HD3  LYS  69           HD1      LYS  69  55.071  -8.075   2.857
  162    HE2  LYS  69           HE2      LYS  69  55.023  -9.205   4.794
  163    HE3  LYS  69           HE1      LYS  69  53.409  -9.696   4.279
  164    HZ1  LYS  69           HZ1      LYS  69  54.084 -11.787   3.862
  165    HZ2  LYS  69           HZ2      LYS  69  55.320 -11.413   4.953
  166    HZ3  LYS  69           HZ3      LYS  69  55.606 -11.319   3.289
  167    H    GLN  70           HN       GLN  70  55.026  -8.114  -0.395
  168    HA   GLN  70           HA       GLN  70  57.336  -7.503   1.120
  169    HB2  GLN  70           HB2      GLN  70  56.729  -9.468  -0.607
  170    HB3  GLN  70           HB1      GLN  70  57.665  -8.434  -1.677
  171    HG2  GLN  70           HG2      GLN  70  59.402  -9.599  -0.889
  172    HG3  GLN  70           HG1      GLN  70  59.281  -8.502   0.485
  173   HE21  GLN  70          HE21      GLN  70  57.690  -9.259   2.197
  174   HE22  GLN  70          HE22      GLN  70  57.761 -10.933   2.618
  175    H    ILE  71           HN       ILE  71  56.179  -6.390  -2.027
  176    HA   ILE  71           HA       ILE  71  58.389  -4.684  -2.546
  177    HB   ILE  71           HB       ILE  71  55.590  -4.576  -3.684
  178   HG12  ILE  71          HG12      ILE  71  57.028  -5.584  -5.677
  179   HG13  ILE  71          HG11      ILE  71  58.044  -6.142  -4.351
  180   HG21  ILE  71          HG21      ILE  71  58.136  -3.349  -4.737
  181   HG22  ILE  71          HG22      ILE  71  56.830  -2.466  -3.945
  182   HG23  ILE  71          HG23      ILE  71  56.543  -3.269  -5.488
  183   HD11  ILE  71          HD11      ILE  71  55.255  -6.692  -3.853
  184   HD12  ILE  71          HD12      ILE  71  56.639  -7.783  -3.871
  185   HD13  ILE  71          HD13      ILE  71  55.804  -7.397  -5.374
  186    H    PHE  72           HN       PHE  72  55.358  -4.306  -0.844
  187    HA   PHE  72           HA       PHE  72  55.323  -1.485  -0.723
  188    HB2  PHE  72           HB2      PHE  72  53.320  -2.751  -0.217
  189    HB3  PHE  72           HB1      PHE  72  54.125  -3.559   1.125
  190    HD1  PHE  72           HD2      PHE  72  53.744  -0.001   0.053
  191    HD2  PHE  72           HD1      PHE  72  53.306  -2.885   3.150
  192    HE1  PHE  72           HE2      PHE  72  52.965   1.763   1.579
  193    HE2  PHE  72           HE1      PHE  72  52.524  -1.127   4.683
  194    HZ   PHE  72           HZ       PHE  72  52.354   1.202   3.898
  195    H    GLU  73           HN       GLU  73  56.756  -3.961   1.331
  196    HA   GLU  73           HA       GLU  73  57.649  -2.141   3.341
  197    HB2  GLU  73           HB2      GLU  73  58.446  -4.981   2.678
  198    HB3  GLU  73           HB1      GLU  73  59.084  -4.090   4.052
  199    HG2  GLU  73           HG2      GLU  73  56.813  -3.860   4.942
  200    HG3  GLU  73           HG1      GLU  73  56.195  -4.787   3.577
  201    H    ASP  74           HN       ASP  74  58.941  -3.464   0.379
  202    HA   ASP  74           HA       ASP  74  61.609  -2.590   0.780
  203    HB2  ASP  74           HB2      ASP  74  60.413  -4.257  -1.012
  204    HB3  ASP  74           HB1      ASP  74  60.667  -2.824  -2.004
  205    H    HIS  75           HN       HIS  75  58.823  -1.274  -0.940
  206    HA   HIS  75           HA       HIS  75  60.018   0.965  -2.073
  207    HB2  HIS  75           HB2      HIS  75  57.774   0.313  -2.695
  208    HB3  HIS  75           HB1      HIS  75  57.199   0.586  -1.054
  209    HD1  HIS  75           HD1      HIS  75  57.483   2.243  -4.273
  210    HD2  HIS  75           HD2      HIS  75  57.407   3.418  -0.282
  211    HE1  HIS  75           HE1      HIS  75  56.935   4.715  -4.262
  212    H    VAL  76           HN       VAL  76  58.263   0.732   1.006
  213    HA   VAL  76           HA       VAL  76  58.783   3.339   1.900
  214    HB   VAL  76           HB       VAL  76  58.444   0.849   3.586
  215   HG11  VAL  76          HG11      VAL  76  58.429   2.132   5.417
  216   HG12  VAL  76          HG12      VAL  76  57.435   3.368   4.646
  217   HG13  VAL  76          HG13      VAL  76  59.183   3.368   4.412
  218   HG21  VAL  76          HG21      VAL  76  56.649   1.755   1.788
  219   HG22  VAL  76          HG22      VAL  76  56.186   2.700   3.203
  220   HG23  VAL  76          HG23      VAL  76  56.211   0.939   3.289
  221    H    PHE  77           HN       PHE  77  60.595   0.350   2.133
  222    HA   PHE  77           HA       PHE  77  62.598   1.117   3.915
  223    HB2  PHE  77           HB2      PHE  77  62.136  -1.042   2.078
  224    HB3  PHE  77           HB1      PHE  77  63.802  -0.499   1.915
  225    HD1  PHE  77           HD1      PHE  77  61.304  -1.453   4.504
  226    HD2  PHE  77           HD2      PHE  77  65.402  -1.297   3.370
  227    HE1  PHE  77           HE1      PHE  77  61.907  -2.716   6.527
  228    HE2  PHE  77           HE2      PHE  77  66.013  -2.562   5.390
  229    HZ   PHE  77           HZ       PHE  77  64.265  -3.272   6.971
  230    H    CYS  78           HN       CYS  78  62.108   1.844   0.533
  231    HA   CYS  78           HA       CYS  78  64.698   2.852   0.026
  232    HB2  CYS  78           HB2      CYS  78  62.326   2.492  -1.457
  233    HB3  CYS  78           HB1      CYS  78  62.702   4.209  -1.554
  234    HG   CYS  78           HG       CYS  78  63.923   3.067  -3.507
  235    H    HIS  79           HN       HIS  79  61.672   4.399   0.980
  236    HA   HIS  79           HA       HIS  79  62.710   7.022   1.129
  237    HB2  HIS  79           HB2      HIS  79  60.402   5.699   2.569
  238    HB3  HIS  79           HB1      HIS  79  60.778   7.411   2.717
  239    HD1  HIS  79           HD1      HIS  79  60.473   8.857   0.471
  240    HD2  HIS  79           HD2      HIS  79  58.970   4.987   0.384
  241    HE1  HIS  79           HE1      HIS  79  58.883   8.757  -1.495
  242    H    SER  80           HN       SER  80  63.158   4.215   3.013
  243    HA   SER  80           HA       SER  80  63.800   5.516   5.487
  244    HB2  SER  80           HB2      SER  80  63.447   2.827   4.570
  245    HB3  SER  80           HB1      SER  80  64.999   2.948   5.398
  246    HG   SER  80           HG       SER  80  62.419   3.532   6.391
  247    H    LEU  81           HN       LEU  81  65.444   5.017   2.558
  248    HA   LEU  81           HA       LEU  81  68.089   4.912   3.635
  249    HB2  LEU  81           HB2      LEU  81  67.197   5.582   0.839
  250    HB3  LEU  81           HB1      LEU  81  68.823   5.140   1.333
  251    HG   LEU  81           HG       LEU  81  66.611   3.252   1.933
  252   HD11  LEU  81          HD11      LEU  81  66.657   2.281  -0.251
  253   HD12  LEU  81          HD12      LEU  81  67.925   3.387  -0.778
  254   HD13  LEU  81          HD13      LEU  81  66.306   3.999  -0.440
  255   HD21  LEU  81          HD21      LEU  81  68.671   1.783   1.037
  256   HD22  LEU  81          HD22      LEU  81  68.516   2.314   2.712
  257   HD23  LEU  81          HD23      LEU  81  69.545   3.210   1.595
  Start of MODEL    4
    1    H1   GLN  49           HT1      GLN  49  37.653   2.195   1.209
    2    H2   GLN  49           HT2      GLN  49  39.311   2.644   1.217
    3    H3   GLN  49           HT3      GLN  49  38.094   3.848   1.100
    4    HA   GLN  49           HA       GLN  49  39.163   3.602   3.297
    5    HB2  GLN  49           HB2      GLN  49  36.317   3.689   2.565
    6    HB3  GLN  49           HB1      GLN  49  36.608   3.273   4.248
    7    HG2  GLN  49           HG2      GLN  49  37.877   5.297   4.572
    8    HG3  GLN  49           HG1      GLN  49  37.723   5.700   2.863
    9   HE21  GLN  49          HE21      GLN  49  36.919   7.336   5.033
   10   HE22  GLN  49          HE22      GLN  49  35.208   7.546   4.928
   11    H    MET  50           HN       MET  50  40.086   2.109   4.529
   12    HA   MET  50           HA       MET  50  40.506   0.171   5.642
   13    HB2  MET  50           HB2      MET  50  37.904   0.829   6.221
   14    HB3  MET  50           HB1      MET  50  37.742  -0.821   5.637
   15    HG2  MET  50           HG2      MET  50  38.669  -1.686   7.469
   16    HG3  MET  50           HG1      MET  50  39.938  -0.463   7.521
   17    HE1  MET  50           HE1      MET  50  40.100   0.571   9.914
   18    HE2  MET  50           HE2      MET  50  38.956   1.886  10.181
   19    HE3  MET  50           HE3      MET  50  39.811   1.760   8.644
   20    H    GLN  51           HN       GLN  51  41.000  -0.001   2.999
   21    HA   GLN  51           HA       GLN  51  39.858  -2.565   2.128
   22    HB2  GLN  51           HB2      GLN  51  41.174  -0.310   0.632
   23    HB3  GLN  51           HB1      GLN  51  40.968  -1.899  -0.090
   24    HG2  GLN  51           HG2      GLN  51  38.769  -0.115   0.929
   25    HG3  GLN  51           HG1      GLN  51  39.188  -0.398  -0.760
   26   HE21  GLN  51          HE21      GLN  51  39.473  -3.002  -1.015
   27   HE22  GLN  51          HE22      GLN  51  38.036  -3.855  -0.577
   28    HA   PRO  52           HA       PRO  52  43.993  -3.996   3.334
   29    HB2  PRO  52           HB2      PRO  52  42.884  -6.646   3.514
   30    HB3  PRO  52           HB1      PRO  52  43.404  -5.586   4.823
   31    HG2  PRO  52           HG2      PRO  52  40.793  -6.303   4.357
   32    HG3  PRO  52           HG1      PRO  52  41.289  -4.837   5.219
   33    HD2  PRO  52           HD2      PRO  52  40.401  -5.162   2.380
   34    HD3  PRO  52           HD1      PRO  52  40.043  -3.860   3.535
   35    H    LEU  53           HN       LEU  53  42.456  -4.174   0.513
   36    HA   LEU  53           HA       LEU  53  43.940  -6.424  -0.595
   37    HB2  LEU  53           HB2      LEU  53  41.456  -5.169  -1.176
   38    HB3  LEU  53           HB1      LEU  53  42.482  -4.996  -2.588
   39    HG   LEU  53           HG       LEU  53  42.530  -7.703  -1.497
   40   HD11  LEU  53          HD11      LEU  53  40.291  -8.334  -2.145
   41   HD12  LEU  53          HD12      LEU  53  39.915  -6.666  -2.581
   42   HD13  LEU  53          HD13      LEU  53  40.219  -7.090  -0.896
   43   HD21  LEU  53          HD21      LEU  53  41.600  -6.883  -4.219
   44   HD22  LEU  53          HD22      LEU  53  42.515  -8.309  -3.730
   45   HD23  LEU  53          HD23      LEU  53  43.300  -6.731  -3.772
   46    H    CYS  54           HN       CYS  54  45.243  -3.905   0.300
   47    HA   CYS  54           HA       CYS  54  47.171  -3.647  -1.679
   48    HB2  CYS  54           HB2      CYS  54  46.597  -1.258  -2.419
   49    HB3  CYS  54           HB1      CYS  54  45.683  -2.570  -3.153
   50    HG   CYS  54           HG       CYS  54  43.735  -1.243  -2.483
   51    H    PHE  55           HN       PHE  55  48.908  -2.474  -0.955
   52    HA   PHE  55           HA       PHE  55  48.648  -1.365   1.741
   53    HB2  PHE  55           HB2      PHE  55  51.147  -2.007   0.161
   54    HB3  PHE  55           HB1      PHE  55  51.079  -1.547   1.858
   55    HD1  PHE  55           HD1      PHE  55  49.517  -3.087   3.336
   56    HD2  PHE  55           HD2      PHE  55  51.295  -4.237  -0.355
   57    HE1  PHE  55           HE1      PHE  55  49.294  -5.453   3.971
   58    HE2  PHE  55           HE2      PHE  55  51.074  -6.606   0.273
   59    HZ   PHE  55           HZ       PHE  55  50.073  -7.216   2.439
   60    H    ASN  56           HN       ASN  56  49.651   0.662   2.293
   61    HA   ASN  56           HA       ASN  56  50.094   2.467   0.016
   62    HB2  ASN  56           HB2      ASN  56  48.376   3.062   2.434
   63    HB3  ASN  56           HB1      ASN  56  48.823   4.237   1.200
   64   HD21  ASN  56          HD21      ASN  56  46.269   4.063   1.532
   65   HD22  ASN  56          HD22      ASN  56  45.490   3.134   0.301
   66    H    CYS  57           HN       CYS  57  51.888   3.648   0.188
   67    HA   CYS  57           HA       CYS  57  53.526   3.433   2.537
   68    HB2  CYS  57           HB2      CYS  57  54.666   3.423   0.438
   69    HB3  CYS  57           HB1      CYS  57  53.865   4.900  -0.081
   70    HA   PRO  58           HA       PRO  58  51.629   7.101   4.318
   71    HB2  PRO  58           HB2      PRO  58  52.827   6.956   6.727
   72    HB3  PRO  58           HB1      PRO  58  51.502   5.880   6.268
   73    HG2  PRO  58           HG2      PRO  58  54.450   5.358   6.274
   74    HG3  PRO  58           HG1      PRO  58  53.127   4.311   6.821
   75    HD2  PRO  58           HD2      PRO  58  54.346   4.039   4.398
   76    HD3  PRO  58           HD1      PRO  58  52.658   3.583   4.695
   77    H    ILE  59           HN       ILE  59  54.946   6.542   3.627
   78    HA   ILE  59           HA       ILE  59  55.949   8.991   4.716
   79    HB   ILE  59           HB       ILE  59  57.218   7.286   2.574
   80   HG12  ILE  59          HG12      ILE  59  58.463   6.818   5.049
   81   HG13  ILE  59          HG11      ILE  59  56.734   6.750   5.381
   82   HG21  ILE  59          HG21      ILE  59  58.432   9.243   2.591
   83   HG22  ILE  59          HG22      ILE  59  59.296   8.288   3.794
   84   HG23  ILE  59          HG23      ILE  59  58.152   9.527   4.308
   85   HD11  ILE  59          HD11      ILE  59  56.410   4.955   3.938
   86   HD12  ILE  59          HD12      ILE  59  57.934   4.589   4.747
   87   HD13  ILE  59          HD13      ILE  59  57.940   5.227   3.105
   88    H    CYS  60           HN       CYS  60  55.321   7.907   1.351
   89    HA   CYS  60           HA       CYS  60  55.186  10.762   0.620
   90    HB2  CYS  60           HB2      CYS  60  55.949  10.234  -1.568
   91    HB3  CYS  60           HB1      CYS  60  57.016   9.397  -0.447
   92    H    ASP  61           HN       ASP  61  53.237   8.194   1.231
   93    HA   ASP  61           HA       ASP  61  50.983   7.946   0.971
   94    HB2  ASP  61           HB2      ASP  61  51.163  10.549   0.500
   95    HB3  ASP  61           HB1      ASP  61  50.788  10.043  -1.144
   96    H    LYS  62           HN       LYS  62  52.878   6.459  -0.474
   97    HA   LYS  62           HA       LYS  62  51.902   6.202  -3.186
   98    HB2  LYS  62           HB2      LYS  62  54.306   5.604  -1.919
   99    HB3  LYS  62           HB1      LYS  62  53.604   4.029  -2.264
  100    HG2  LYS  62           HG2      LYS  62  53.357   5.769  -4.543
  101    HG3  LYS  62           HG1      LYS  62  55.035   5.669  -4.007
  102    HD2  LYS  62           HD2      LYS  62  55.128   3.361  -4.332
  103    HD3  LYS  62           HD1      LYS  62  53.371   3.194  -4.317
  104    HE2  LYS  62           HE2      LYS  62  53.400   4.605  -6.447
  105    HE3  LYS  62           HE1      LYS  62  55.133   4.285  -6.492
  106    HZ1  LYS  62           HZ1      LYS  62  53.211   2.063  -6.244
  107    HZ2  LYS  62           HZ2      LYS  62  54.791   2.041  -6.846
  108    HZ3  LYS  62           HZ3      LYS  62  53.549   2.733  -7.761
  109    H    ILE  63           HN       ILE  63  51.416   3.872  -3.957
  110    HA   ILE  63           HA       ILE  63  49.987   2.296  -1.961
  111    HB   ILE  63           HB       ILE  63  48.609   3.289  -4.456
  112   HG12  ILE  63          HG12      ILE  63  47.082   4.305  -2.566
  113   HG13  ILE  63          HG11      ILE  63  48.555   4.206  -1.607
  114   HG21  ILE  63          HG21      ILE  63  47.525   1.329  -4.114
  115   HG22  ILE  63          HG22      ILE  63  46.638   2.308  -2.947
  116   HG23  ILE  63          HG23      ILE  63  47.950   1.264  -2.404
  117   HD11  ILE  63          HD11      ILE  63  47.852   6.001  -3.824
  118   HD12  ILE  63          HD12      ILE  63  49.511   5.403  -3.816
  119   HD13  ILE  63          HD13      ILE  63  48.880   6.272  -2.417
  120    H    PHE  64           HN       PHE  64  49.582   0.161  -2.563
  121    HA   PHE  64           HA       PHE  64  50.385  -0.790  -5.181
  122    HB2  PHE  64           HB2      PHE  64  51.663  -2.246  -2.918
  123    HB3  PHE  64           HB1      PHE  64  52.198  -2.070  -4.583
  124    HD1  PHE  64           HD1      PHE  64  51.753  -0.066  -1.473
  125    HD2  PHE  64           HD2      PHE  64  53.985  -0.703  -5.039
  126    HE1  PHE  64           HE1      PHE  64  53.377   1.636  -0.755
  127    HE2  PHE  64           HE2      PHE  64  55.613   0.999  -4.328
  128    HZ   PHE  64           HZ       PHE  64  55.312   2.166  -2.181
  129    HA   PRO  65           HA       PRO  65  47.217  -3.751  -4.386
  130    HB2  PRO  65           HB2      PRO  65  48.143  -5.973  -5.664
  131    HB3  PRO  65           HB1      PRO  65  47.482  -4.572  -6.512
  132    HG2  PRO  65           HG2      PRO  65  50.335  -5.328  -6.037
  133    HG3  PRO  65           HG1      PRO  65  49.580  -4.668  -7.498
  134    HD2  PRO  65           HD2      PRO  65  51.020  -3.143  -5.781
  135    HD3  PRO  65           HD1      PRO  65  49.648  -2.504  -6.708
  136    H    ALA  66           HN       ALA  66  46.689  -5.694  -3.229
  137    HA   ALA  66           HA       ALA  66  48.037  -6.072  -0.853
  138    HB1  ALA  66           HB1      ALA  66  46.786  -8.360  -0.880
  139    HB2  ALA  66           HB2      ALA  66  46.045  -7.717  -2.346
  140    HB3  ALA  66           HB3      ALA  66  45.872  -6.854  -0.819
  141    H    THR  67           HN       THR  67  48.516  -7.700  -3.925
  142    HA   THR  67           HA       THR  67  50.289  -9.688  -2.851
  143    HB   THR  67           HB       THR  67  50.791  -9.838  -5.470
  144    HG1  THR  67           HG1      THR  67  49.653  -8.157  -6.229
  145   HG21  THR  67          HG21      THR  67  48.960 -11.378  -5.742
  146   HG22  THR  67          HG22      THR  67  48.163 -10.728  -4.309
  147   HG23  THR  67          HG23      THR  67  49.693 -11.592  -4.152
  148    H    GLU  68           HN       GLU  68  50.683  -6.454  -3.264
  149    HA   GLU  68           HA       GLU  68  53.426  -6.615  -4.224
  150    HB2  GLU  68           HB2      GLU  68  51.396  -4.713  -4.533
  151    HB3  GLU  68           HB1      GLU  68  52.570  -3.958  -3.466
  152    HG2  GLU  68           HG2      GLU  68  53.496  -3.332  -5.415
  153    HG3  GLU  68           HG1      GLU  68  54.235  -4.928  -5.315
  154    H    LYS  69           HN       LYS  69  52.646  -7.656  -1.590
  155    HA   LYS  69           HA       LYS  69  53.346  -5.927   0.492
  156    HB2  LYS  69           HB2      LYS  69  53.713  -7.935   1.828
  157    HB3  LYS  69           HB1      LYS  69  52.263  -8.105   0.848
  158    HG2  LYS  69           HG2      LYS  69  53.058 -10.039   0.124
  159    HG3  LYS  69           HG1      LYS  69  54.331  -9.148  -0.712
  160    HD2  LYS  69           HD2      LYS  69  55.867  -9.492   0.999
  161    HD3  LYS  69           HD1      LYS  69  54.611  -9.831   2.191
  162    HE2  LYS  69           HE2      LYS  69  54.084 -11.900   0.800
  163    HE3  LYS  69           HE1      LYS  69  55.612 -11.598  -0.023
  164    HZ1  LYS  69           HZ1      LYS  69  56.821 -12.055   1.865
  165    HZ2  LYS  69           HZ2      LYS  69  55.554 -13.166   2.006
  166    HZ3  LYS  69           HZ3      LYS  69  55.533 -11.741   2.915
  167    H    GLN  70           HN       GLN  70  55.295  -7.759  -1.744
  168    HA   GLN  70           HA       GLN  70  57.754  -7.512  -0.327
  169    HB2  GLN  70           HB2      GLN  70  56.972  -8.301  -3.103
  170    HB3  GLN  70           HB1      GLN  70  58.659  -7.946  -2.762
  171    HG2  GLN  70           HG2      GLN  70  57.086  -9.905  -1.126
  172    HG3  GLN  70           HG1      GLN  70  57.912 -10.370  -2.613
  173   HE21  GLN  70          HE21      GLN  70  58.218  -9.768   0.709
  174   HE22  GLN  70          HE22      GLN  70  59.932  -9.958   0.833
  175    H    ILE  71           HN       ILE  71  56.261  -5.731  -2.985
  176    HA   ILE  71           HA       ILE  71  58.412  -3.874  -3.266
  177    HB   ILE  71           HB       ILE  71  55.560  -3.526  -4.191
  178   HG12  ILE  71          HG12      ILE  71  57.908  -4.839  -5.579
  179   HG13  ILE  71          HG11      ILE  71  56.441  -5.642  -5.027
  180   HG21  ILE  71          HG21      ILE  71  57.019  -1.510  -4.188
  181   HG22  ILE  71          HG22      ILE  71  56.459  -1.982  -5.792
  182   HG23  ILE  71          HG23      ILE  71  58.109  -2.352  -5.290
  183   HD11  ILE  71          HD11      ILE  71  55.437  -5.204  -6.944
  184   HD12  ILE  71          HD12      ILE  71  56.950  -4.520  -7.539
  185   HD13  ILE  71          HD13      ILE  71  55.755  -3.479  -6.765
  186    H    PHE  72           HN       PHE  72  55.477  -4.010  -1.384
  187    HA   PHE  72           HA       PHE  72  55.344  -1.277  -0.671
  188    HB2  PHE  72           HB2      PHE  72  53.410  -2.720  -0.416
  189    HB3  PHE  72           HB1      PHE  72  54.279  -3.737   0.725
  190    HD1  PHE  72           HD2      PHE  72  53.904  -0.037   0.460
  191    HD2  PHE  72           HD1      PHE  72  53.283  -3.546   2.786
  192    HE1  PHE  72           HE2      PHE  72  53.072   1.346   2.317
  193    HE2  PHE  72           HE1      PHE  72  52.449  -2.169   4.647
  194    HZ   PHE  72           HZ       PHE  72  52.343   0.280   4.415
  195    H    GLU  73           HN       GLU  73  56.854  -4.083   0.856
  196    HA   GLU  73           HA       GLU  73  57.766  -2.637   3.143
  197    HB2  GLU  73           HB2      GLU  73  59.053  -4.646   3.655
  198    HB3  GLU  73           HB1      GLU  73  57.409  -5.071   3.203
  199    HG2  GLU  73           HG2      GLU  73  58.108  -5.803   1.048
  200    HG3  GLU  73           HG1      GLU  73  59.731  -5.161   1.298
  201    H    ASP  74           HN       ASP  74  59.066  -3.494   0.009
  202    HA   ASP  74           HA       ASP  74  61.721  -2.659   0.550
  203    HB2  ASP  74           HB2      ASP  74  60.272  -3.775  -1.673
  204    HB3  ASP  74           HB1      ASP  74  61.257  -2.423  -2.224
  205    H    HIS  75           HN       HIS  75  58.907  -1.132  -0.922
  206    HA   HIS  75           HA       HIS  75  60.088   1.244  -1.760
  207    HB2  HIS  75           HB2      HIS  75  57.831   0.615  -2.425
  208    HB3  HIS  75           HB1      HIS  75  57.279   0.756  -0.759
  209    HD1  HIS  75           HD1      HIS  75  57.347   2.634  -3.813
  210    HD2  HIS  75           HD2      HIS  75  57.709   3.544   0.229
  211    HE1  HIS  75           HE1      HIS  75  56.892   5.115  -3.592
  212    H    VAL  76           HN       VAL  76  58.358   0.582   1.271
  213    HA   VAL  76           HA       VAL  76  58.868   3.050   2.501
  214    HB   VAL  76           HB       VAL  76  58.543   0.359   3.846
  215   HG11  VAL  76          HG11      VAL  76  57.512   2.661   5.268
  216   HG12  VAL  76          HG12      VAL  76  59.245   2.798   4.970
  217   HG13  VAL  76          HG13      VAL  76  58.604   1.391   5.818
  218   HG21  VAL  76          HG21      VAL  76  56.686   1.986   2.365
  219   HG22  VAL  76          HG22      VAL  76  56.175   1.834   4.046
  220   HG23  VAL  76          HG23      VAL  76  56.457   0.389   3.078
  221    H    PHE  77           HN       PHE  77  60.713   0.079   2.309
  222    HA   PHE  77           HA       PHE  77  62.704   0.598   4.187
  223    HB2  PHE  77           HB2      PHE  77  62.246  -1.306   2.131
  224    HB3  PHE  77           HB1      PHE  77  63.869  -0.667   1.887
  225    HD1  PHE  77           HD2      PHE  77  65.258  -0.455   4.164
  226    HD2  PHE  77           HD1      PHE  77  62.037  -3.147   3.471
  227    HE1  PHE  77           HE2      PHE  77  66.104  -1.921   5.950
  228    HE2  PHE  77           HE1      PHE  77  62.877  -4.619   5.256
  229    HZ   PHE  77           HZ       PHE  77  64.914  -4.006   6.498
  230    H    CYS  78           HN       CYS  78  62.269   1.744   0.903
  231    HA   CYS  78           HA       CYS  78  64.819   2.894   0.593
  232    HB2  CYS  78           HB2      CYS  78  62.528   2.649  -0.987
  233    HB3  CYS  78           HB1      CYS  78  62.743   4.385  -0.786
  234    HG   CYS  78           HG       CYS  78  64.674   2.504  -2.291
  235    H    HIS  79           HN       HIS  79  61.744   4.255   1.688
  236    HA   HIS  79           HA       HIS  79  62.730   6.848   2.215
  237    HB2  HIS  79           HB2      HIS  79  60.436   5.297   3.433
  238    HB3  HIS  79           HB1      HIS  79  60.780   6.976   3.830
  239    HD1  HIS  79           HD1      HIS  79  60.503   8.716   1.784
  240    HD2  HIS  79           HD2      HIS  79  59.002   4.891   1.185
  241    HE1  HIS  79           HE1      HIS  79  58.922   8.875  -0.186
  242    H    SER  80           HN       SER  80  63.209   3.822   3.709
  243    HA   SER  80           HA       SER  80  63.801   4.785   6.344
  244    HB2  SER  80           HB2      SER  80  63.186   2.338   5.371
  245    HB3  SER  80           HB1      SER  80  64.940   2.195   5.486
  246    HG   SER  80           HG       SER  80  63.502   1.682   7.411
  247    H    LEU  81           HN       LEU  81  65.499   4.686   3.397
  248    HA   LEU  81           HA       LEU  81  68.127   4.491   4.496
  249    HB2  LEU  81           HB2      LEU  81  67.267   5.510   1.797
  250    HB3  LEU  81           HB1      LEU  81  68.892   5.028   2.258
  251    HG   LEU  81           HG       LEU  81  66.700   3.048   2.567
  252   HD11  LEU  81          HD11      LEU  81  66.804   2.370   0.272
  253   HD12  LEU  81          HD12      LEU  81  68.053   3.565  -0.081
  254   HD13  LEU  81          HD13      LEU  81  66.414   4.090   0.308
  255   HD21  LEU  81          HD21      LEU  81  69.336   2.405   1.390
  256   HD22  LEU  81          HD22      LEU  81  68.380   1.530   2.585
  257   HD23  LEU  81          HD23      LEU  81  69.328   2.936   3.072
  Start of MODEL    5
    1    H1   GLN  49           HT1      GLN  49  34.390  -0.545   1.507
    2    H2   GLN  49           HT2      GLN  49  34.255   0.740   2.636
    3    H3   GLN  49           HT3      GLN  49  34.862  -0.785   3.137
    4    HA   GLN  49           HA       GLN  49  36.136   0.944   1.128
    5    HB2  GLN  49           HB2      GLN  49  36.342   0.772   4.108
    6    HB3  GLN  49           HB1      GLN  49  37.791   1.129   3.178
    7    HG2  GLN  49           HG2      GLN  49  35.268   2.701   2.810
    8    HG3  GLN  49           HG1      GLN  49  36.426   3.086   4.083
    9   HE21  GLN  49          HE21      GLN  49  35.514   4.382   1.471
   10   HE22  GLN  49          HE22      GLN  49  36.995   4.820   0.697
   11    H    MET  50           HN       MET  50  38.429   0.320   0.862
   12    HA   MET  50           HA       MET  50  38.963  -2.500   1.469
   13    HB2  MET  50           HB2      MET  50  39.133  -1.211  -1.257
   14    HB3  MET  50           HB1      MET  50  39.877  -2.756  -0.866
   15    HG2  MET  50           HG2      MET  50  37.899  -3.414  -1.817
   16    HG3  MET  50           HG1      MET  50  37.490  -3.420  -0.102
   17    HE1  MET  50           HE1      MET  50  34.298  -1.887  -0.176
   18    HE2  MET  50           HE2      MET  50  35.363  -3.254   0.155
   19    HE3  MET  50           HE3      MET  50  34.546  -3.130  -1.402
   20    H    GLN  51           HN       GLN  51  39.985  -0.094   2.665
   21    HA   GLN  51           HA       GLN  51  42.533   0.580   1.643
   22    HB2  GLN  51           HB2      GLN  51  40.911   1.532   3.653
   23    HB3  GLN  51           HB1      GLN  51  42.244   0.818   4.549
   24    HG2  GLN  51           HG2      GLN  51  42.588   3.196   4.095
   25    HG3  GLN  51           HG1      GLN  51  43.832   2.186   3.356
   26   HE21  GLN  51          HE21      GLN  51  44.082   4.270   2.147
   27   HE22  GLN  51          HE22      GLN  51  43.162   4.454   0.697
   28    HA   PRO  52           HA       PRO  52  44.139  -2.544   5.093
   29    HB2  PRO  52           HB2      PRO  52  41.834  -4.413   5.070
   30    HB3  PRO  52           HB1      PRO  52  42.829  -3.869   6.424
   31    HG2  PRO  52           HG2      PRO  52  40.344  -2.957   6.098
   32    HG3  PRO  52           HG1      PRO  52  41.641  -1.895   6.676
   33    HD2  PRO  52           HD2      PRO  52  40.404  -2.075   3.959
   34    HD3  PRO  52           HD1      PRO  52  40.943  -0.645   4.862
   35    H    LEU  53           HN       LEU  53  42.323  -3.218   2.221
   36    HA   LEU  53           HA       LEU  53  43.554  -5.752   1.674
   37    HB2  LEU  53           HB2      LEU  53  41.276  -4.913   0.864
   38    HB3  LEU  53           HB1      LEU  53  42.169  -3.992  -0.331
   39    HG   LEU  53           HG       LEU  53  43.205  -6.223  -1.040
   40   HD11  LEU  53          HD11      LEU  53  42.750  -7.829   0.492
   41   HD12  LEU  53          HD12      LEU  53  41.325  -8.044  -0.525
   42   HD13  LEU  53          HD13      LEU  53  41.213  -7.103   0.963
   43   HD21  LEU  53          HD21      LEU  53  41.207  -6.803  -2.398
   44   HD22  LEU  53          HD22      LEU  53  41.612  -5.087  -2.430
   45   HD23  LEU  53          HD23      LEU  53  40.270  -5.658  -1.437
   46    H    CYS  54           HN       CYS  54  44.830  -2.719   1.657
   47    HA   CYS  54           HA       CYS  54  46.966  -3.539  -0.127
   48    HB2  CYS  54           HB2      CYS  54  46.916  -1.486  -1.448
   49    HB3  CYS  54           HB1      CYS  54  45.396  -2.360  -1.615
   50    HG   CYS  54           HG       CYS  54  44.181  -0.455  -0.644
   51    H    PHE  55           HN       PHE  55  48.499  -1.363  -0.256
   52    HA   PHE  55           HA       PHE  55  48.721  -0.234   2.432
   53    HB2  PHE  55           HB2      PHE  55  51.017  -1.623   1.035
   54    HB3  PHE  55           HB1      PHE  55  51.089  -0.806   2.593
   55    HD1  PHE  55           HD1      PHE  55  49.106  -1.699   4.243
   56    HD2  PHE  55           HD2      PHE  55  51.001  -3.903   1.136
   57    HE1  PHE  55           HE1      PHE  55  48.506  -3.801   5.374
   58    HE2  PHE  55           HE2      PHE  55  50.405  -6.009   2.261
   59    HZ   PHE  55           HZ       PHE  55  49.156  -5.959   4.382
   60    H    ASN  56           HN       ASN  56  48.735   1.884   2.119
   61    HA   ASN  56           HA       ASN  56  49.835   3.006  -0.334
   62    HB2  ASN  56           HB2      ASN  56  48.390   4.368   1.950
   63    HB3  ASN  56           HB1      ASN  56  48.815   5.108   0.409
   64   HD21  ASN  56          HD21      ASN  56  46.467   5.532   0.439
   65   HD22  ASN  56          HD22      ASN  56  45.418   4.328  -0.221
   66    H    CYS  57           HN       CYS  57  51.680   4.165  -0.467
   67    HA   CYS  57           HA       CYS  57  53.526   4.051   1.714
   68    HB2  CYS  57           HB2      CYS  57  54.317   3.849  -0.588
   69    HB3  CYS  57           HB1      CYS  57  53.721   5.464  -0.957
   70    HA   PRO  58           HA       PRO  58  51.982   7.927   3.421
   71    HB2  PRO  58           HB2      PRO  58  53.442   7.853   5.696
   72    HB3  PRO  58           HB1      PRO  58  51.986   6.877   5.466
   73    HG2  PRO  58           HG2      PRO  58  54.860   6.086   5.182
   74    HG3  PRO  58           HG1      PRO  58  53.531   5.209   5.964
   75    HD2  PRO  58           HD2      PRO  58  54.403   4.620   3.465
   76    HD3  PRO  58           HD1      PRO  58  52.711   4.416   3.963
   77    H    ILE  59           HN       ILE  59  55.088   7.140   2.287
   78    HA   ILE  59           HA       ILE  59  56.291   9.653   3.088
   79    HB   ILE  59           HB       ILE  59  57.451   7.615   1.198
   80   HG12  ILE  59          HG12      ILE  59  58.730   7.348   3.650
   81   HG13  ILE  59          HG11      ILE  59  57.032   7.504   4.085
   82   HG21  ILE  59          HG21      ILE  59  58.475  10.022   2.629
   83   HG22  ILE  59          HG22      ILE  59  58.742   9.504   0.964
   84   HG23  ILE  59          HG23      ILE  59  59.574   8.686   2.287
   85   HD11  ILE  59          HD11      ILE  59  57.860   5.594   1.948
   86   HD12  ILE  59          HD12      ILE  59  56.444   5.558   2.998
   87   HD13  ILE  59          HD13      ILE  59  58.035   5.165   3.649
   88    H    CYS  60           HN       CYS  60  55.522   8.069  -0.056
   89    HA   CYS  60           HA       CYS  60  55.453  10.789  -1.182
   90    HB2  CYS  60           HB2      CYS  60  56.181   9.969  -3.290
   91    HB3  CYS  60           HB1      CYS  60  57.262   9.307  -2.073
   92    H    ASP  61           HN       ASP  61  53.931   7.596  -1.497
   93    HA   ASP  61           HA       ASP  61  51.345   8.122  -1.282
   94    HB2  ASP  61           HB2      ASP  61  50.532   8.583  -3.663
   95    HB3  ASP  61           HB1      ASP  61  51.235   9.942  -2.793
   96    H    LYS  62           HN       LYS  62  53.606   6.761  -3.589
   97    HA   LYS  62           HA       LYS  62  52.409   4.860  -4.971
   98    HB2  LYS  62           HB2      LYS  62  54.915   5.205  -4.581
   99    HB3  LYS  62           HB1      LYS  62  54.750   4.054  -3.261
  100    HG2  LYS  62           HG2      LYS  62  55.443   2.728  -5.018
  101    HG3  LYS  62           HG1      LYS  62  53.691   2.514  -5.039
  102    HD2  LYS  62           HD2      LYS  62  53.570   4.305  -6.776
  103    HD3  LYS  62           HD1      LYS  62  55.334   4.305  -6.826
  104    HE2  LYS  62           HE2      LYS  62  54.744   1.648  -7.106
  105    HE3  LYS  62           HE1      LYS  62  53.414   2.415  -7.971
  106    HZ1  LYS  62           HZ1      LYS  62  56.306   2.560  -8.527
  107    HZ2  LYS  62           HZ2      LYS  62  55.267   3.774  -9.081
  108    HZ3  LYS  62           HZ3      LYS  62  55.038   2.175  -9.579
  109    H    ILE  63           HN       ILE  63  51.074   3.201  -4.722
  110    HA   ILE  63           HA       ILE  63  50.732   2.073  -2.018
  111    HB   ILE  63           HB       ILE  63  48.646   2.139  -4.198
  112   HG12  ILE  63          HG12      ILE  63  48.665   3.888  -1.744
  113   HG13  ILE  63          HG11      ILE  63  49.404   4.411  -3.254
  114   HG21  ILE  63          HG21      ILE  63  48.562   1.416  -1.278
  115   HG22  ILE  63          HG22      ILE  63  48.241   0.368  -2.660
  116   HG23  ILE  63          HG23      ILE  63  47.123   1.673  -2.264
  117   HD11  ILE  63          HD11      ILE  63  46.537   3.989  -2.591
  118   HD12  ILE  63          HD12      ILE  63  47.076   3.788  -4.259
  119   HD13  ILE  63          HD13      ILE  63  47.319   5.327  -3.433
  120    H    PHE  64           HN       PHE  64  50.082  -0.183  -1.912
  121    HA   PHE  64           HA       PHE  64  50.605  -1.811  -4.268
  122    HB2  PHE  64           HB2      PHE  64  52.122  -2.234  -1.685
  123    HB3  PHE  64           HB1      PHE  64  52.240  -3.221  -3.137
  124    HD1  PHE  64           HD1      PHE  64  52.875   0.172  -1.798
  125    HD2  PHE  64           HD2      PHE  64  53.741  -2.675  -4.840
  126    HE1  PHE  64           HE1      PHE  64  54.704   1.603  -2.611
  127    HE2  PHE  64           HE2      PHE  64  55.571  -1.249  -5.659
  128    HZ   PHE  64           HZ       PHE  64  56.055   0.891  -4.542
  129    HA   PRO  65           HA       PRO  65  47.142  -4.108  -2.744
  130    HB2  PRO  65           HB2      PRO  65  48.100  -6.642  -3.511
  131    HB3  PRO  65           HB1      PRO  65  47.064  -5.577  -4.462
  132    HG2  PRO  65           HG2      PRO  65  49.999  -5.997  -4.616
  133    HG3  PRO  65           HG1      PRO  65  48.848  -5.598  -5.903
  134    HD2  PRO  65           HD2      PRO  65  50.541  -3.767  -4.897
  135    HD3  PRO  65           HD1      PRO  65  48.899  -3.336  -5.418
  136    H    ALA  66           HN       ALA  66  46.589  -5.635  -1.112
  137    HA   ALA  66           HA       ALA  66  48.227  -5.578   1.149
  138    HB1  ALA  66           HB1      ALA  66  46.591  -7.580   1.795
  139    HB2  ALA  66           HB2      ALA  66  45.712  -6.948   0.402
  140    HB3  ALA  66           HB3      ALA  66  46.071  -5.895   1.771
  141    H    THR  67           HN       THR  67  47.969  -7.935  -1.424
  142    HA   THR  67           HA       THR  67  49.450  -9.968  -0.041
  143    HB   THR  67           HB       THR  67  49.585 -10.771  -2.598
  144    HG1  THR  67           HG1      THR  67  47.677 -10.050  -3.645
  145   HG21  THR  67          HG21      THR  67  46.855 -10.973  -1.500
  146   HG22  THR  67          HG22      THR  67  48.167 -11.604  -0.504
  147   HG23  THR  67          HG23      THR  67  47.924 -12.222  -2.138
  148    H    GLU  68           HN       GLU  68  50.283  -7.122  -1.678
  149    HA   GLU  68           HA       GLU  68  52.927  -8.120  -2.389
  150    HB2  GLU  68           HB2      GLU  68  51.284  -5.782  -3.206
  151    HB3  GLU  68           HB1      GLU  68  53.032  -5.596  -3.239
  152    HG2  GLU  68           HG2      GLU  68  53.031  -7.781  -4.589
  153    HG3  GLU  68           HG1      GLU  68  51.312  -7.464  -4.820
  154    H    LYS  69           HN       LYS  69  52.246  -7.849   0.374
  155    HA   LYS  69           HA       LYS  69  53.099  -5.486   1.571
  156    HB2  LYS  69           HB2      LYS  69  53.428  -6.777   3.586
  157    HB3  LYS  69           HB1      LYS  69  51.989  -7.359   2.761
  158    HG2  LYS  69           HG2      LYS  69  52.813  -9.407   2.885
  159    HG3  LYS  69           HG1      LYS  69  54.097  -8.915   1.780
  160    HD2  LYS  69           HD2      LYS  69  54.935  -7.927   4.219
  161    HD3  LYS  69           HD1      LYS  69  54.201  -9.476   4.636
  162    HE2  LYS  69           HE2      LYS  69  56.174  -9.202   2.388
  163    HE3  LYS  69           HE1      LYS  69  56.690  -9.464   4.053
  164    HZ1  LYS  69           HZ1      LYS  69  54.896 -11.392   3.820
  165    HZ2  LYS  69           HZ2      LYS  69  56.525 -11.607   3.418
  166    HZ3  LYS  69           HZ3      LYS  69  55.389 -11.295   2.203
  167    H    GLN  70           HN       GLN  70  54.913  -8.016   0.051
  168    HA   GLN  70           HA       GLN  70  57.426  -7.534   1.238
  169    HB2  GLN  70           HB2      GLN  70  56.364  -9.210  -0.808
  170    HB3  GLN  70           HB1      GLN  70  57.785  -8.399  -1.452
  171    HG2  GLN  70           HG2      GLN  70  57.680 -10.005   1.092
  172    HG3  GLN  70           HG1      GLN  70  58.337 -10.552  -0.450
  173   HE21  GLN  70          HE21      GLN  70  59.776  -8.463  -1.316
  174   HE22  GLN  70          HE22      GLN  70  61.060  -8.101  -0.218
  175    H    ILE  71           HN       ILE  71  56.190  -6.536  -1.938
  176    HA   ILE  71           HA       ILE  71  58.329  -4.832  -2.572
  177    HB   ILE  71           HB       ILE  71  55.480  -4.555  -3.534
  178   HG12  ILE  71          HG12      ILE  71  56.825  -5.867  -5.517
  179   HG13  ILE  71          HG11      ILE  71  57.560  -6.570  -4.079
  180   HG21  ILE  71          HG21      ILE  71  57.737  -3.957  -5.317
  181   HG22  ILE  71          HG22      ILE  71  57.544  -2.856  -3.953
  182   HG23  ILE  71          HG23      ILE  71  56.213  -3.101  -5.084
  183   HD11  ILE  71          HD11      ILE  71  55.338  -7.516  -5.233
  184   HD12  ILE  71          HD12      ILE  71  54.624  -6.400  -4.070
  185   HD13  ILE  71          HD13      ILE  71  55.693  -7.686  -3.514
  186    H    PHE  72           HN       PHE  72  55.382  -4.315  -0.750
  187    HA   PHE  72           HA       PHE  72  55.446  -1.496  -0.689
  188    HB2  PHE  72           HB2      PHE  72  53.432  -2.696  -0.071
  189    HB3  PHE  72           HB1      PHE  72  54.267  -3.481   1.265
  190    HD1  PHE  72           HD2      PHE  72  53.641  -0.011   0.030
  191    HD2  PHE  72           HD1      PHE  72  53.837  -2.660   3.355
  192    HE1  PHE  72           HE2      PHE  72  52.963   1.821   1.525
  193    HE2  PHE  72           HE1      PHE  72  53.158  -0.833   4.856
  194    HZ   PHE  72           HZ       PHE  72  52.720   1.412   3.942
  195    H    GLU  73           HN       GLU  73  56.957  -3.963   1.306
  196    HA   GLU  73           HA       GLU  73  57.941  -2.140   3.273
  197    HB2  GLU  73           HB2      GLU  73  58.592  -5.006   2.595
  198    HB3  GLU  73           HB1      GLU  73  59.436  -4.127   3.864
  199    HG2  GLU  73           HG2      GLU  73  56.467  -4.607   3.763
  200    HG3  GLU  73           HG1      GLU  73  57.620  -5.529   4.727
  201    H    ASP  74           HN       ASP  74  59.100  -3.489   0.268
  202    HA   ASP  74           HA       ASP  74  61.790  -2.643   0.556
  203    HB2  ASP  74           HB2      ASP  74  60.111  -3.701  -1.663
  204    HB3  ASP  74           HB1      ASP  74  61.594  -2.853  -2.095
  205    H    HIS  75           HN       HIS  75  58.977  -1.321  -1.126
  206    HA   HIS  75           HA       HIS  75  60.169   0.914  -2.271
  207    HB2  HIS  75           HB2      HIS  75  57.907   0.238  -2.854
  208    HB3  HIS  75           HB1      HIS  75  57.355   0.582  -1.217
  209    HD1  HIS  75           HD1      HIS  75  57.563   2.100  -4.493
  210    HD2  HIS  75           HD2      HIS  75  57.679   3.450  -0.560
  211    HE1  HIS  75           HE1      HIS  75  57.065   4.581  -4.571
  212    H    VAL  76           HN       VAL  76  58.437   0.690   0.819
  213    HA   VAL  76           HA       VAL  76  58.981   3.297   1.705
  214    HB   VAL  76           HB       VAL  76  58.613   0.816   3.399
  215   HG11  VAL  76          HG11      VAL  76  57.618   3.345   4.446
  216   HG12  VAL  76          HG12      VAL  76  59.365   3.343   4.205
  217   HG13  VAL  76          HG13      VAL  76  58.613   2.112   5.220
  218   HG21  VAL  76          HG21      VAL  76  56.827   1.562   1.614
  219   HG22  VAL  76          HG22      VAL  76  56.416   2.748   2.852
  220   HG23  VAL  76          HG23      VAL  76  56.341   1.025   3.221
  221    H    PHE  77           HN       PHE  77  60.790   0.309   1.853
  222    HA   PHE  77           HA       PHE  77  62.785   1.017   3.672
  223    HB2  PHE  77           HB2      PHE  77  62.330  -1.087   1.773
  224    HB3  PHE  77           HB1      PHE  77  63.994  -0.534   1.624
  225    HD1  PHE  77           HD1      PHE  77  61.549  -1.350   4.327
  226    HD2  PHE  77           HD2      PHE  77  65.556  -1.592   2.915
  227    HE1  PHE  77           HE1      PHE  77  62.163  -2.671   6.310
  228    HE2  PHE  77           HE2      PHE  77  66.178  -2.915   4.895
  229    HZ   PHE  77           HZ       PHE  77  64.480  -3.457   6.595
  230    H    CYS  78           HN       CYS  78  62.344   1.793   0.284
  231    HA   CYS  78           HA       CYS  78  64.928   2.842  -0.151
  232    HB2  CYS  78           HB2      CYS  78  62.453   2.657  -1.630
  233    HB3  CYS  78           HB1      CYS  78  63.160   4.259  -1.820
  234    HG   CYS  78           HG       CYS  78  64.444   1.618  -2.798
  235    H    HIS  79           HN       HIS  79  61.871   4.338   0.782
  236    HA   HIS  79           HA       HIS  79  62.881   6.970   0.995
  237    HB2  HIS  79           HB2      HIS  79  60.568   5.605   2.384
  238    HB3  HIS  79           HB1      HIS  79  60.921   7.321   2.547
  239    HD1  HIS  79           HD1      HIS  79  60.728   8.739   0.235
  240    HD2  HIS  79           HD2      HIS  79  59.091   4.923   0.243
  241    HE1  HIS  79           HE1      HIS  79  59.152   8.640  -1.742
  242    H    SER  80           HN       SER  80  63.320   4.135   2.834
  243    HA   SER  80           HA       SER  80  63.912   5.394   5.344
  244    HB2  SER  80           HB2      SER  80  63.169   2.933   4.855
  245    HB3  SER  80           HB1      SER  80  64.894   2.659   4.614
  246    HG   SER  80           HG       SER  80  63.841   3.900   6.931
  247    H    LEU  81           HN       LEU  81  65.611   4.970   2.435
  248    HA   LEU  81           HA       LEU  81  68.236   4.855   3.562
  249    HB2  LEU  81           HB2      LEU  81  67.394   5.569   0.761
  250    HB3  LEU  81           HB1      LEU  81  69.014   5.127   1.279
  251    HG   LEU  81           HG       LEU  81  66.801   3.217   1.801
  252   HD11  LEU  81          HD11      LEU  81  68.175   3.390  -0.878
  253   HD12  LEU  81          HD12      LEU  81  66.553   4.012  -0.569
  254   HD13  LEU  81          HD13      LEU  81  66.885   2.289  -0.395
  255   HD21  LEU  81          HD21      LEU  81  68.753   2.373   2.640
  256   HD22  LEU  81          HD22      LEU  81  69.751   3.158   1.414
  257   HD23  LEU  81          HD23      LEU  81  68.819   1.718   1.003
  Start of MODEL    6
    1    H1   GLN  49           HT1      GLN  49  33.916   1.009   2.950
    2    H2   GLN  49           HT2      GLN  49  33.296   1.557   4.454
    3    H3   GLN  49           HT3      GLN  49  34.664   0.523   4.414
    4    HA   GLN  49           HA       GLN  49  34.584   3.211   3.234
    5    HB2  GLN  49           HB2      GLN  49  35.109   2.226   5.987
    6    HB3  GLN  49           HB1      GLN  49  36.188   3.469   5.367
    7    HG2  GLN  49           HG2      GLN  49  34.376   4.980   5.034
    8    HG3  GLN  49           HG1      GLN  49  33.192   3.722   5.386
    9   HE21  GLN  49          HE21      GLN  49  34.798   6.321   6.624
   10   HE22  GLN  49          HE22      GLN  49  34.602   6.000   8.310
   11    H    MET  50           HN       MET  50  36.946   1.274   5.014
   12    HA   MET  50           HA       MET  50  38.740   1.464   2.686
   13    HB2  MET  50           HB2      MET  50  39.211   1.665   5.623
   14    HB3  MET  50           HB1      MET  50  40.478   0.953   4.634
   15    HG2  MET  50           HG2      MET  50  40.553   2.969   3.266
   16    HG3  MET  50           HG1      MET  50  39.269   3.682   4.239
   17    HE1  MET  50           HE1      MET  50  40.507   5.661   4.444
   18    HE2  MET  50           HE2      MET  50  41.836   5.973   5.561
   19    HE3  MET  50           HE3      MET  50  40.228   5.602   6.184
   20    H    GLN  51           HN       GLN  51  40.149  -0.327   2.260
   21    HA   GLN  51           HA       GLN  51  39.296  -2.874   3.445
   22    HB2  GLN  51           HB2      GLN  51  38.697  -2.035   0.828
   23    HB3  GLN  51           HB1      GLN  51  39.987  -3.217   0.665
   24    HG2  GLN  51           HG2      GLN  51  38.234  -4.352   2.492
   25    HG3  GLN  51           HG1      GLN  51  37.195  -3.601   1.282
   26   HE21  GLN  51          HE21      GLN  51  40.243  -5.426   1.330
   27   HE22  GLN  51          HE22      GLN  51  39.809  -6.512   0.058
   28    HA   PRO  52           HA       PRO  52  43.713  -3.371   3.683
   29    HB2  PRO  52           HB2      PRO  52  43.796  -5.812   4.774
   30    HB3  PRO  52           HB1      PRO  52  43.201  -4.418   5.685
   31    HG2  PRO  52           HG2      PRO  52  41.661  -6.577   4.302
   32    HG3  PRO  52           HG1      PRO  52  41.365  -5.826   5.879
   33    HD2  PRO  52           HD2      PRO  52  40.042  -5.149   3.558
   34    HD3  PRO  52           HD1      PRO  52  40.224  -4.074   4.958
   35    H    LEU  53           HN       LEU  53  42.990  -3.602   1.093
   36    HA   LEU  53           HA       LEU  53  44.110  -6.180   0.235
   37    HB2  LEU  53           HB2      LEU  53  41.682  -5.347  -0.416
   38    HB3  LEU  53           HB1      LEU  53  42.568  -4.456  -1.641
   39    HG   LEU  53           HG       LEU  53  43.630  -6.916  -1.994
   40   HD11  LEU  53          HD11      LEU  53  40.743  -7.493  -1.413
   41   HD12  LEU  53          HD12      LEU  53  42.010  -7.745  -0.213
   42   HD13  LEU  53          HD13      LEU  53  42.051  -8.629  -1.739
   43   HD21  LEU  53          HD21      LEU  53  41.174  -5.672  -3.201
   44   HD22  LEU  53          HD22      LEU  53  41.895  -7.156  -3.825
   45   HD23  LEU  53          HD23      LEU  53  42.826  -5.657  -3.819
   46    H    CYS  54           HN       CYS  54  45.542  -3.704   0.999
   47    HA   CYS  54           HA       CYS  54  47.530  -3.711  -0.954
   48    HB2  CYS  54           HB2      CYS  54  47.172  -1.320  -1.799
   49    HB3  CYS  54           HB1      CYS  54  46.141  -2.573  -2.483
   50    HG   CYS  54           HG       CYS  54  44.277  -1.134  -1.837
   51    H    PHE  55           HN       PHE  55  48.874  -1.499  -0.745
   52    HA   PHE  55           HA       PHE  55  48.797  -0.516   2.000
   53    HB2  PHE  55           HB2      PHE  55  51.374  -1.572   0.841
   54    HB3  PHE  55           HB1      PHE  55  51.052  -1.081   2.501
   55    HD1  PHE  55           HD2      PHE  55  49.033  -2.450   3.613
   56    HD2  PHE  55           HD1      PHE  55  51.497  -3.816   0.423
   57    HE1  PHE  55           HE2      PHE  55  48.491  -4.778   4.195
   58    HE2  PHE  55           HE1      PHE  55  50.958  -6.146   1.000
   59    HZ   PHE  55           HZ       PHE  55  49.454  -6.630   2.889
   60    H    ASN  56           HN       ASN  56  48.770   1.614   1.803
   61    HA   ASN  56           HA       ASN  56  49.975   2.898  -0.510
   62    HB2  ASN  56           HB2      ASN  56  48.453   4.161   1.778
   63    HB3  ASN  56           HB1      ASN  56  48.839   4.906   0.229
   64   HD21  ASN  56          HD21      ASN  56  46.803   5.269  -0.474
   65   HD22  ASN  56          HD22      ASN  56  45.663   4.020  -0.824
   66    H    CYS  57           HN       CYS  57  51.798   4.098  -0.495
   67    HA   CYS  57           HA       CYS  57  53.542   3.901   1.761
   68    HB2  CYS  57           HB2      CYS  57  54.428   3.839  -0.521
   69    HB3  CYS  57           HB1      CYS  57  53.841   5.475  -0.807
   70    HA   PRO  58           HA       PRO  58  51.848   7.655   3.591
   71    HB2  PRO  58           HB2      PRO  58  53.200   7.485   5.927
   72    HB3  PRO  58           HB1      PRO  58  51.775   6.498   5.579
   73    HG2  PRO  58           HG2      PRO  58  54.673   5.769   5.396
   74    HG3  PRO  58           HG1      PRO  58  53.323   4.830   6.062
   75    HD2  PRO  58           HD2      PRO  58  54.332   4.395   3.581
   76    HD3  PRO  58           HD1      PRO  58  52.624   4.127   3.984
   77    H    ILE  59           HN       ILE  59  55.021   6.968   2.579
   78    HA   ILE  59           HA       ILE  59  56.142   9.456   3.557
   79    HB   ILE  59           HB       ILE  59  57.415   7.510   1.640
   80   HG12  ILE  59          HG12      ILE  59  58.588   7.206   4.154
   81   HG13  ILE  59          HG11      ILE  59  56.860   7.278   4.487
   82   HG21  ILE  59          HG21      ILE  59  58.672   9.441   1.525
   83   HG22  ILE  59          HG22      ILE  59  59.482   8.567   2.824
   84   HG23  ILE  59          HG23      ILE  59  58.359   9.871   3.207
   85   HD11  ILE  59          HD11      ILE  59  57.851   4.992   4.108
   86   HD12  ILE  59          HD12      ILE  59  58.027   5.451   2.416
   87   HD13  ILE  59          HD13      ILE  59  56.425   5.395   3.151
   88    H    CYS  60           HN       CYS  60  55.544   8.018   0.309
   89    HA   CYS  60           HA       CYS  60  55.496  10.786  -0.693
   90    HB2  CYS  60           HB2      CYS  60  56.300  10.058  -2.812
   91    HB3  CYS  60           HB1      CYS  60  57.349   9.367  -1.582
   92    H    ASP  61           HN       ASP  61  54.009   7.602  -1.219
   93    HA   ASP  61           HA       ASP  61  51.416   8.088  -1.070
   94    HB2  ASP  61           HB2      ASP  61  50.668   8.692  -3.434
   95    HB3  ASP  61           HB1      ASP  61  51.345   9.999  -2.472
   96    H    LYS  62           HN       LYS  62  53.767   6.891  -3.376
   97    HA   LYS  62           HA       LYS  62  52.644   5.072  -4.916
   98    HB2  LYS  62           HB2      LYS  62  55.181   5.245  -3.587
   99    HB3  LYS  62           HB1      LYS  62  54.689   3.560  -3.693
  100    HG2  LYS  62           HG2      LYS  62  54.317   5.095  -6.161
  101    HG3  LYS  62           HG1      LYS  62  55.994   4.922  -5.639
  102    HD2  LYS  62           HD2      LYS  62  55.405   2.425  -5.346
  103    HD3  LYS  62           HD1      LYS  62  54.012   2.793  -6.364
  104    HE2  LYS  62           HE2      LYS  62  55.801   1.975  -7.749
  105    HE3  LYS  62           HE1      LYS  62  55.556   3.690  -8.078
  106    HZ1  LYS  62           HZ1      LYS  62  57.922   2.986  -7.856
  107    HZ2  LYS  62           HZ2      LYS  62  57.629   2.667  -6.221
  108    HZ3  LYS  62           HZ3      LYS  62  57.467   4.242  -6.816
  109    H    ILE  63           HN       ILE  63  51.291   3.424  -4.824
  110    HA   ILE  63           HA       ILE  63  50.926   2.029  -2.251
  111    HB   ILE  63           HB       ILE  63  48.785   2.448  -4.337
  112   HG12  ILE  63          HG12      ILE  63  47.941   3.934  -2.259
  113   HG13  ILE  63          HG11      ILE  63  49.680   4.141  -2.068
  114   HG21  ILE  63          HG21      ILE  63  47.300   1.811  -2.416
  115   HG22  ILE  63          HG22      ILE  63  48.758   1.363  -1.531
  116   HG23  ILE  63          HG23      ILE  63  48.338   0.519  -3.021
  117   HD11  ILE  63          HD11      ILE  63  47.965   4.898  -4.408
  118   HD12  ILE  63          HD12      ILE  63  49.725   4.822  -4.502
  119   HD13  ILE  63          HD13      ILE  63  48.949   5.942  -3.382
  120    H    PHE  64           HN       PHE  64  50.161  -0.204  -2.427
  121    HA   PHE  64           HA       PHE  64  50.538  -1.522  -4.990
  122    HB2  PHE  64           HB2      PHE  64  52.066  -2.718  -2.725
  123    HB3  PHE  64           HB1      PHE  64  52.371  -2.812  -4.456
  124    HD1  PHE  64           HD2      PHE  64  52.476  -0.447  -1.591
  125    HD2  PHE  64           HD1      PHE  64  54.018  -1.497  -5.416
  126    HE1  PHE  64           HE2      PHE  64  54.190   1.304  -1.376
  127    HE2  PHE  64           HE1      PHE  64  55.736   0.252  -5.207
  128    HZ   PHE  64           HZ       PHE  64  55.822   1.654  -3.184
  129    HA   PRO  65           HA       PRO  65  47.375  -4.216  -3.537
  130    HB2  PRO  65           HB2      PRO  65  48.198  -6.654  -4.483
  131    HB3  PRO  65           HB1      PRO  65  47.443  -5.412  -5.485
  132    HG2  PRO  65           HG2      PRO  65  50.338  -6.084  -5.160
  133    HG3  PRO  65           HG1      PRO  65  49.440  -5.680  -6.635
  134    HD2  PRO  65           HD2      PRO  65  51.008  -3.884  -5.387
  135    HD3  PRO  65           HD1      PRO  65  49.504  -3.408  -6.204
  136    H    ALA  66           HN       ALA  66  46.869  -5.839  -1.998
  137    HA   ALA  66           HA       ALA  66  48.505  -5.927   0.252
  138    HB1  ALA  66           HB1      ALA  66  46.233  -6.317   0.619
  139    HB2  ALA  66           HB2      ALA  66  46.988  -7.882   0.919
  140    HB3  ALA  66           HB3      ALA  66  46.157  -7.582  -0.608
  141    H    THR  67           HN       THR  67  48.452  -7.973  -2.558
  142    HA   THR  67           HA       THR  67  49.952 -10.110  -1.359
  143    HB   THR  67           HB       THR  67  50.256 -10.526  -4.014
  144    HG1  THR  67           HG1      THR  67  47.743  -9.252  -3.857
  145   HG21  THR  67          HG21      THR  67  47.667 -11.083  -2.591
  146   HG22  THR  67          HG22      THR  67  49.138 -12.039  -2.405
  147   HG23  THR  67          HG23      THR  67  48.339 -11.948  -3.974
  148    H    GLU  68           HN       GLU  68  50.709  -7.057  -2.658
  149    HA   GLU  68           HA       GLU  68  53.446  -7.832  -3.292
  150    HB2  GLU  68           HB2      GLU  68  51.745  -5.457  -3.903
  151    HB3  GLU  68           HB1      GLU  68  53.492  -5.258  -3.885
  152    HG2  GLU  68           HG2      GLU  68  53.704  -7.042  -5.551
  153    HG3  GLU  68           HG1      GLU  68  51.949  -7.206  -5.583
  154    H    LYS  69           HN       LYS  69  52.541  -7.872  -0.553
  155    HA   LYS  69           HA       LYS  69  53.229  -5.617   0.926
  156    HB2  LYS  69           HB2      LYS  69  53.728  -7.294   2.773
  157    HB3  LYS  69           HB1      LYS  69  52.120  -7.363   2.067
  158    HG2  LYS  69           HG2      LYS  69  52.429  -9.426   1.246
  159    HG3  LYS  69           HG1      LYS  69  54.101  -9.106   0.785
  160    HD2  LYS  69           HD2      LYS  69  54.831  -9.417   3.068
  161    HD3  LYS  69           HD1      LYS  69  53.162  -9.599   3.610
  162    HE2  LYS  69           HE2      LYS  69  52.922 -11.663   2.477
  163    HE3  LYS  69           HE1      LYS  69  54.416 -11.422   1.574
  164    HZ1  LYS  69           HZ1      LYS  69  55.670 -11.664   3.600
  165    HZ2  LYS  69           HZ2      LYS  69  54.667 -13.011   3.401
  166    HZ3  LYS  69           HZ3      LYS  69  54.253 -11.806   4.514
  167    H    GLN  70           HN       GLN  70  55.235  -7.941  -0.682
  168    HA   GLN  70           HA       GLN  70  57.632  -7.471   0.752
  169    HB2  GLN  70           HB2      GLN  70  56.802  -8.973  -1.579
  170    HB3  GLN  70           HB1      GLN  70  58.351  -8.190  -1.857
  171    HG2  GLN  70           HG2      GLN  70  57.895  -9.723   0.661
  172    HG3  GLN  70           HG1      GLN  70  58.254 -10.576  -0.839
  173   HE21  GLN  70          HE21      GLN  70  59.549  -9.075   1.837
  174   HE22  GLN  70          HE22      GLN  70  61.179  -8.907   1.290
  175    H    ILE  71           HN       ILE  71  56.265  -6.071  -2.186
  176    HA   ILE  71           HA       ILE  71  58.493  -4.365  -2.706
  177    HB   ILE  71           HB       ILE  71  55.666  -4.022  -3.707
  178   HG12  ILE  71          HG12      ILE  71  57.935  -5.598  -4.947
  179   HG13  ILE  71          HG11      ILE  71  56.532  -6.304  -4.151
  180   HG21  ILE  71          HG21      ILE  71  56.594  -2.140  -4.503
  181   HG22  ILE  71          HG22      ILE  71  57.332  -3.211  -5.694
  182   HG23  ILE  71          HG23      ILE  71  58.239  -2.727  -4.260
  183   HD11  ILE  71          HD11      ILE  71  56.229  -4.454  -6.483
  184   HD12  ILE  71          HD12      ILE  71  55.089  -5.642  -5.851
  185   HD13  ILE  71          HD13      ILE  71  56.539  -6.177  -6.699
  186    H    PHE  72           HN       PHE  72  55.533  -4.084  -0.871
  187    HA   PHE  72           HA       PHE  72  55.552  -1.266  -0.572
  188    HB2  PHE  72           HB2      PHE  72  53.528  -2.560  -0.169
  189    HB3  PHE  72           HB1      PHE  72  54.310  -3.417   1.156
  190    HD1  PHE  72           HD1      PHE  72  53.620   0.099   0.105
  191    HD2  PHE  72           HD2      PHE  72  53.810  -2.726   3.281
  192    HE1  PHE  72           HE1      PHE  72  52.825   1.819   1.676
  193    HE2  PHE  72           HE2      PHE  72  53.014  -1.013   4.857
  194    HZ   PHE  72           HZ       PHE  72  52.520   1.263   4.055
  195    H    GLU  73           HN       GLU  73  56.966  -3.913   1.263
  196    HA   GLU  73           HA       GLU  73  57.870  -2.263   3.418
  197    HB2  GLU  73           HB2      GLU  73  58.594  -5.069   2.562
  198    HB3  GLU  73           HB1      GLU  73  59.251  -4.294   3.998
  199    HG2  GLU  73           HG2      GLU  73  56.332  -4.822   3.479
  200    HG3  GLU  73           HG1      GLU  73  57.384  -5.789   4.512
  201    H    ASP  74           HN       ASP  74  59.205  -3.497   0.421
  202    HA   ASP  74           HA       ASP  74  61.866  -2.649   0.916
  203    HB2  ASP  74           HB2      ASP  74  61.323  -4.404  -0.731
  204    HB3  ASP  74           HB1      ASP  74  60.497  -3.206  -1.722
  205    H    HIS  75           HN       HIS  75  59.145  -1.282  -0.869
  206    HA   HIS  75           HA       HIS  75  60.382   0.976  -1.907
  207    HB2  HIS  75           HB2      HIS  75  58.138   0.320  -2.584
  208    HB3  HIS  75           HB1      HIS  75  57.530   0.641  -0.961
  209    HD1  HIS  75           HD1      HIS  75  57.866   2.213  -4.203
  210    HD2  HIS  75           HD2      HIS  75  57.849   3.491  -0.244
  211    HE1  HIS  75           HE1      HIS  75  57.403   4.702  -4.254
  212    H    VAL  76           HN       VAL  76  58.542   0.681   1.115
  213    HA   VAL  76           HA       VAL  76  59.039   3.259   2.091
  214    HB   VAL  76           HB       VAL  76  58.671   0.723   3.701
  215   HG11  VAL  76          HG11      VAL  76  58.744   1.962   5.546
  216   HG12  VAL  76          HG12      VAL  76  57.589   3.117   4.881
  217   HG13  VAL  76          HG13      VAL  76  59.313   3.307   4.558
  218   HG21  VAL  76          HG21      VAL  76  56.404   0.907   3.476
  219   HG22  VAL  76          HG22      VAL  76  56.911   1.527   1.905
  220   HG23  VAL  76          HG23      VAL  76  56.460   2.646   3.190
  221    H    PHE  77           HN       PHE  77  60.889   0.294   2.209
  222    HA   PHE  77           HA       PHE  77  62.835   0.985   4.088
  223    HB2  PHE  77           HB2      PHE  77  62.409  -1.243   2.719
  224    HB3  PHE  77           HB1      PHE  77  63.624  -0.555   1.648
  225    HD1  PHE  77           HD1      PHE  77  65.768   0.366   2.929
  226    HD2  PHE  77           HD2      PHE  77  63.124  -2.630   4.394
  227    HE1  PHE  77           HE1      PHE  77  67.545  -0.475   4.408
  228    HE2  PHE  77           HE2      PHE  77  64.896  -3.476   5.876
  229    HZ   PHE  77           HZ       PHE  77  67.110  -2.397   5.885
  230    H    CYS  78           HN       CYS  78  62.470   1.811   0.702
  231    HA   CYS  78           HA       CYS  78  65.033   2.921   0.339
  232    HB2  CYS  78           HB2      CYS  78  62.440   3.594  -1.066
  233    HB3  CYS  78           HB1      CYS  78  64.038   4.091  -1.611
  234    HG   CYS  78           HG       CYS  78  62.973   1.803  -2.727
  235    H    HIS  79           HN       HIS  79  61.941   4.364   1.253
  236    HA   HIS  79           HA       HIS  79  62.919   7.001   1.547
  237    HB2  HIS  79           HB2      HIS  79  60.592   5.572   2.850
  238    HB3  HIS  79           HB1      HIS  79  60.928   7.284   3.084
  239    HD1  HIS  79           HD1      HIS  79  60.756   8.792   0.834
  240    HD2  HIS  79           HD2      HIS  79  59.182   4.954   0.645
  241    HE1  HIS  79           HE1      HIS  79  59.228   8.751  -1.184
  242    H    SER  80           HN       SER  80  63.352   4.128   3.323
  243    HA   SER  80           HA       SER  80  63.887   5.328   5.873
  244    HB2  SER  80           HB2      SER  80  63.536   2.701   4.872
  245    HB3  SER  80           HB1      SER  80  65.129   2.759   5.626
  246    HG   SER  80           HG       SER  80  64.234   3.140   7.534
  247    H    LEU  81           HN       LEU  81  65.643   4.994   2.986
  248    HA   LEU  81           HA       LEU  81  68.249   4.879   4.156
  249    HB2  LEU  81           HB2      LEU  81  67.447   5.654   1.359
  250    HB3  LEU  81           HB1      LEU  81  69.063   5.220   1.895
  251    HG   LEU  81           HG       LEU  81  66.867   3.269   2.330
  252   HD11  LEU  81          HD11      LEU  81  68.283   3.518  -0.320
  253   HD12  LEU  81          HD12      LEU  81  66.655   4.130  -0.026
  254   HD13  LEU  81          HD13      LEU  81  66.986   2.404   0.115
  255   HD21  LEU  81          HD21      LEU  81  69.529   2.534   1.272
  256   HD22  LEU  81          HD22      LEU  81  68.547   1.764   2.519
  257   HD23  LEU  81          HD23      LEU  81  69.482   3.210   2.901
  Start of MODEL    7
    1    H1   GLN  49           HT1      GLN  49  35.179   2.132   5.456
    2    H2   GLN  49           HT2      GLN  49  33.519   1.714   5.315
    3    H3   GLN  49           HT3      GLN  49  34.594   1.420   4.009
    4    HA   GLN  49           HA       GLN  49  34.384   0.056   6.590
    5    HB2  GLN  49           HB2      GLN  49  34.441  -0.799   3.689
    6    HB3  GLN  49           HB1      GLN  49  34.379  -1.911   5.050
    7    HG2  GLN  49           HG2      GLN  49  32.208  -1.351   5.583
    8    HG3  GLN  49           HG1      GLN  49  32.304   0.213   4.775
    9   HE21  GLN  49          HE21      GLN  49  32.516  -3.252   4.044
   10   HE22  GLN  49          HE22      GLN  49  31.650  -3.165   2.552
   11    H    MET  50           HN       MET  50  36.051  -1.386   7.190
   12    HA   MET  50           HA       MET  50  38.697  -0.453   6.435
   13    HB2  MET  50           HB2      MET  50  37.591  -2.146   8.639
   14    HB3  MET  50           HB1      MET  50  39.302  -2.259   8.251
   15    HG2  MET  50           HG2      MET  50  38.337   0.482   8.514
   16    HG3  MET  50           HG1      MET  50  38.172  -0.478   9.983
   17    HE1  MET  50           HE1      MET  50  41.891   1.442   8.361
   18    HE2  MET  50           HE2      MET  50  40.284   2.105   8.653
   19    HE3  MET  50           HE3      MET  50  40.547   0.994   7.310
   20    H    GLN  51           HN       GLN  51  39.134  -1.271   4.422
   21    HA   GLN  51           HA       GLN  51  39.524  -4.176   4.303
   22    HB2  GLN  51           HB2      GLN  51  37.883  -2.491   2.480
   23    HB3  GLN  51           HB1      GLN  51  38.855  -3.761   1.750
   24    HG2  GLN  51           HG2      GLN  51  37.662  -5.072   3.830
   25    HG3  GLN  51           HG1      GLN  51  36.409  -3.938   3.328
   26   HE21  GLN  51          HE21      GLN  51  36.734  -3.792   0.657
   27   HE22  GLN  51          HE22      GLN  51  36.456  -5.331  -0.075
   28    HA   PRO  52           HA       PRO  52  43.379  -2.014   3.035
   29    HB2  PRO  52           HB2      PRO  52  45.048  -3.920   4.011
   30    HB3  PRO  52           HB1      PRO  52  44.376  -2.627   5.013
   31    HG2  PRO  52           HG2      PRO  52  43.477  -5.470   4.731
   32    HG3  PRO  52           HG1      PRO  52  43.642  -4.489   6.200
   33    HD2  PRO  52           HD2      PRO  52  41.254  -4.917   4.999
   34    HD3  PRO  52           HD1      PRO  52  41.633  -3.410   5.857
   35    H    LEU  53           HN       LEU  53  42.418  -2.654   0.887
   36    HA   LEU  53           HA       LEU  53  43.294  -5.198  -0.190
   37    HB2  LEU  53           HB2      LEU  53  41.097  -4.061  -0.745
   38    HB3  LEU  53           HB1      LEU  53  42.027  -2.914  -1.689
   39    HG   LEU  53           HG       LEU  53  42.842  -4.765  -3.109
   40   HD11  LEU  53          HD11      LEU  53  41.058  -6.400  -1.324
   41   HD12  LEU  53          HD12      LEU  53  42.771  -6.634  -1.666
   42   HD13  LEU  53          HD13      LEU  53  41.573  -6.939  -2.923
   43   HD21  LEU  53          HD21      LEU  53  40.407  -5.383  -3.938
   44   HD22  LEU  53          HD22      LEU  53  41.081  -3.767  -4.156
   45   HD23  LEU  53          HD23      LEU  53  39.965  -4.086  -2.828
   46    H    CYS  54           HN       CYS  54  44.967  -2.529   0.489
   47    HA   CYS  54           HA       CYS  54  47.067  -3.124  -1.316
   48    HB2  CYS  54           HB2      CYS  54  47.109  -1.052  -2.603
   49    HB3  CYS  54           HB1      CYS  54  45.598  -1.911  -2.884
   50    HG   CYS  54           HG       CYS  54  45.523   0.391  -0.833
   51    H    PHE  55           HN       PHE  55  48.590  -0.931  -1.298
   52    HA   PHE  55           HA       PHE  55  48.604   0.254   1.353
   53    HB2  PHE  55           HB2      PHE  55  50.611  -1.750   0.400
   54    HB3  PHE  55           HB1      PHE  55  51.150  -0.429   1.430
   55    HD1  PHE  55           HD2      PHE  55  49.226  -0.060   3.429
   56    HD2  PHE  55           HD1      PHE  55  50.375  -3.704   1.556
   57    HE1  PHE  55           HE2      PHE  55  48.488  -1.309   5.415
   58    HE2  PHE  55           HE1      PHE  55  49.640  -4.961   3.540
   59    HZ   PHE  55           HZ       PHE  55  48.695  -3.762   5.474
   60    H    ASN  56           HN       ASN  56  48.920   2.343   1.006
   61    HA   ASN  56           HA       ASN  56  50.362   3.214  -1.379
   62    HB2  ASN  56           HB2      ASN  56  48.831   4.881   0.627
   63    HB3  ASN  56           HB1      ASN  56  49.416   5.405  -0.949
   64   HD21  ASN  56          HD21      ASN  56  48.236   4.983  -2.733
   65   HD22  ASN  56          HD22      ASN  56  46.706   4.181  -2.718
   66    H    CYS  57           HN       CYS  57  52.292   4.209  -1.356
   67    HA   CYS  57           HA       CYS  57  53.864   4.124   1.031
   68    HB2  CYS  57           HB2      CYS  57  54.958   3.652  -1.047
   69    HB3  CYS  57           HB1      CYS  57  54.409   5.165  -1.749
   70    HA   PRO  58           HA       PRO  58  52.624   8.246   2.288
   71    HB2  PRO  58           HB2      PRO  58  53.798   8.260   4.691
   72    HB3  PRO  58           HB1      PRO  58  52.376   7.262   4.363
   73    HG2  PRO  58           HG2      PRO  58  55.263   6.474   4.449
   74    HG3  PRO  58           HG1      PRO  58  53.855   5.632   5.119
   75    HD2  PRO  58           HD2      PRO  58  55.038   4.976   2.734
   76    HD3  PRO  58           HD1      PRO  58  53.335   4.656   3.115
   77    H    ILE  59           HN       ILE  59  55.409   7.514   0.910
   78    HA   ILE  59           HA       ILE  59  56.779   9.951   1.825
   79    HB   ILE  59           HB       ILE  59  58.030   7.577   0.439
   80   HG12  ILE  59          HG12      ILE  59  59.031   7.987   3.078
   81   HG13  ILE  59          HG11      ILE  59  57.275   7.940   3.173
   82   HG21  ILE  59          HG21      ILE  59  60.117   8.796   1.435
   83   HG22  ILE  59          HG22      ILE  59  59.058  10.206   1.410
   84   HG23  ILE  59          HG23      ILE  59  59.413   9.342  -0.086
   85   HD11  ILE  59          HD11      ILE  59  58.207   5.835   1.475
   86   HD12  ILE  59          HD12      ILE  59  57.287   5.740   2.976
   87   HD13  ILE  59          HD13      ILE  59  59.050   5.785   3.023
   88    H    CYS  60           HN       CYS  60  56.299   7.948  -1.118
   89    HA   CYS  60           HA       CYS  60  56.468  10.464  -2.655
   90    HB2  CYS  60           HB2      CYS  60  57.364   9.283  -4.506
   91    HB3  CYS  60           HB1      CYS  60  58.257   8.737  -3.092
   92    H    ASP  61           HN       ASP  61  54.266   8.325  -1.518
   93    HA   ASP  61           HA       ASP  61  52.012   8.225  -1.893
   94    HB2  ASP  61           HB2      ASP  61  52.625  10.416  -3.387
   95    HB3  ASP  61           HB1      ASP  61  52.021   9.323  -4.629
   96    H    LYS  62           HN       LYS  62  54.243   6.435  -3.030
   97    HA   LYS  62           HA       LYS  62  53.343   5.221  -5.379
   98    HB2  LYS  62           HB2      LYS  62  55.488   4.857  -3.733
   99    HB3  LYS  62           HB1      LYS  62  54.557   3.406  -3.402
  100    HG2  LYS  62           HG2      LYS  62  56.053   2.847  -5.129
  101    HG3  LYS  62           HG1      LYS  62  54.474   3.032  -5.894
  102    HD2  LYS  62           HD2      LYS  62  55.231   5.469  -6.321
  103    HD3  LYS  62           HD1      LYS  62  56.853   4.848  -6.007
  104    HE2  LYS  62           HE2      LYS  62  56.481   4.775  -8.366
  105    HE3  LYS  62           HE1      LYS  62  56.450   3.121  -7.758
  106    HZ1  LYS  62           HZ1      LYS  62  54.227   2.921  -8.141
  107    HZ2  LYS  62           HZ2      LYS  62  54.621   3.994  -9.389
  108    HZ3  LYS  62           HZ3      LYS  62  53.915   4.575  -7.965
  109    H    ILE  63           HN       ILE  63  52.603   2.836  -5.414
  110    HA   ILE  63           HA       ILE  63  50.635   2.268  -3.323
  111    HB   ILE  63           HB       ILE  63  49.923   2.160  -6.254
  112   HG12  ILE  63          HG12      ILE  63  48.264   4.027  -5.117
  113   HG13  ILE  63          HG11      ILE  63  49.787   4.348  -4.294
  114   HG21  ILE  63          HG21      ILE  63  48.599   1.336  -3.746
  115   HG22  ILE  63          HG22      ILE  63  48.467   0.671  -5.375
  116   HG23  ILE  63          HG23      ILE  63  47.583   2.135  -4.946
  117   HD11  ILE  63          HD11      ILE  63  49.074   5.429  -6.653
  118   HD12  ILE  63          HD12      ILE  63  49.982   4.021  -7.203
  119   HD13  ILE  63          HD13      ILE  63  50.744   5.197  -6.133
  120    H    PHE  64           HN       PHE  64  50.146   0.095  -3.059
  121    HA   PHE  64           HA       PHE  64  51.318  -1.864  -4.857
  122    HB2  PHE  64           HB2      PHE  64  52.097  -1.657  -1.942
  123    HB3  PHE  64           HB1      PHE  64  52.449  -3.044  -2.966
  124    HD1  PHE  64           HD1      PHE  64  53.195   0.502  -2.352
  125    HD2  PHE  64           HD2      PHE  64  54.228  -2.997  -4.543
  126    HE1  PHE  64           HE1      PHE  64  55.291   1.574  -3.068
  127    HE2  PHE  64           HE2      PHE  64  56.325  -1.931  -5.264
  128    HZ   PHE  64           HZ       PHE  64  56.860   0.355  -4.524
  129    HA   PRO  65           HA       PRO  65  47.485  -3.894  -3.878
  130    HB2  PRO  65           HB2      PRO  65  48.994  -6.394  -4.403
  131    HB3  PRO  65           HB1      PRO  65  47.499  -5.807  -5.138
  132    HG2  PRO  65           HG2      PRO  65  49.816  -5.757  -6.469
  133    HG3  PRO  65           HG1      PRO  65  48.611  -4.470  -6.656
  134    HD2  PRO  65           HD2      PRO  65  51.177  -4.462  -5.133
  135    HD3  PRO  65           HD1      PRO  65  50.395  -3.150  -6.038
  136    H    ALA  66           HN       ALA  66  46.615  -5.411  -2.331
  137    HA   ALA  66           HA       ALA  66  47.773  -5.258   0.199
  138    HB1  ALA  66           HB1      ALA  66  45.555  -6.863  -0.979
  139    HB2  ALA  66           HB2      ALA  66  45.513  -5.645   0.296
  140    HB3  ALA  66           HB3      ALA  66  46.131  -7.260   0.640
  141    H    THR  67           HN       THR  67  48.106  -7.655  -2.326
  142    HA   THR  67           HA       THR  67  49.425  -9.588  -0.653
  143    HB   THR  67           HB       THR  67  50.044 -10.383  -3.163
  144    HG1  THR  67           HG1      THR  67  47.542  -9.121  -3.495
  145   HG21  THR  67          HG21      THR  67  47.310 -10.748  -1.966
  146   HG22  THR  67          HG22      THR  67  48.743 -11.675  -1.519
  147   HG23  THR  67          HG23      THR  67  48.098 -11.783  -3.157
  148    H    GLU  68           HN       GLU  68  50.377  -6.696  -2.061
  149    HA   GLU  68           HA       GLU  68  53.138  -7.539  -2.450
  150    HB2  GLU  68           HB2      GLU  68  51.485  -5.258  -3.346
  151    HB3  GLU  68           HB1      GLU  68  53.177  -4.902  -3.027
  152    HG2  GLU  68           HG2      GLU  68  53.120  -5.420  -5.289
  153    HG3  GLU  68           HG1      GLU  68  53.696  -6.901  -4.526
  154    H    LYS  69           HN       LYS  69  51.896  -7.368   0.224
  155    HA   LYS  69           HA       LYS  69  52.675  -5.089   1.629
  156    HB2  LYS  69           HB2      LYS  69  52.611  -6.509   3.636
  157    HB3  LYS  69           HB1      LYS  69  51.217  -6.783   2.601
  158    HG2  LYS  69           HG2      LYS  69  51.678  -8.947   2.818
  159    HG3  LYS  69           HG1      LYS  69  53.010  -8.653   1.699
  160    HD2  LYS  69           HD2      LYS  69  54.453  -9.237   3.287
  161    HD3  LYS  69           HD1      LYS  69  53.890  -7.892   4.282
  162    HE2  LYS  69           HE2      LYS  69  52.407 -10.497   4.190
  163    HE3  LYS  69           HE1      LYS  69  53.786 -10.266   5.265
  164    HZ1  LYS  69           HZ1      LYS  69  51.167  -8.912   5.306
  165    HZ2  LYS  69           HZ2      LYS  69  52.519  -8.185   6.019
  166    HZ3  LYS  69           HZ3      LYS  69  51.981  -9.692   6.567
  167    H    GLN  70           HN       GLN  70  54.506  -7.859   0.555
  168    HA   GLN  70           HA       GLN  70  56.807  -7.424   2.150
  169    HB2  GLN  70           HB2      GLN  70  56.191  -9.015  -0.299
  170    HB3  GLN  70           HB1      GLN  70  57.876  -8.751   0.127
  171    HG2  GLN  70           HG2      GLN  70  56.466  -9.561   2.461
  172    HG3  GLN  70           HG1      GLN  70  56.079 -10.673   1.151
  173   HE21  GLN  70          HE21      GLN  70  58.649  -9.305   3.084
  174   HE22  GLN  70          HE22      GLN  70  59.818 -10.533   2.750
  175    H    ILE  71           HN       ILE  71  56.120  -6.667  -1.245
  176    HA   ILE  71           HA       ILE  71  58.514  -5.227  -1.688
  177    HB   ILE  71           HB       ILE  71  55.902  -4.933  -3.176
  178   HG12  ILE  71          HG12      ILE  71  57.436  -6.512  -4.753
  179   HG13  ILE  71          HG11      ILE  71  57.970  -7.051  -3.163
  180   HG21  ILE  71          HG21      ILE  71  57.528  -4.377  -5.064
  181   HG22  ILE  71          HG22      ILE  71  58.734  -4.161  -3.796
  182   HG23  ILE  71          HG23      ILE  71  57.287  -3.154  -3.816
  183   HD11  ILE  71          HD11      ILE  71  56.204  -8.376  -3.096
  184   HD12  ILE  71          HD12      ILE  71  55.571  -7.683  -4.588
  185   HD13  ILE  71          HD13      ILE  71  55.178  -6.943  -3.036
  186    H    PHE  72           HN       PHE  72  55.370  -4.342  -0.446
  187    HA   PHE  72           HA       PHE  72  55.616  -1.541  -0.706
  188    HB2  PHE  72           HB2      PHE  72  53.450  -2.556  -0.303
  189    HB3  PHE  72           HB1      PHE  72  54.004  -3.205   1.238
  190    HD1  PHE  72           HD2      PHE  72  53.794   0.096  -0.494
  191    HD2  PHE  72           HD1      PHE  72  53.336  -2.095   3.125
  192    HE1  PHE  72           HE2      PHE  72  53.016   2.137   0.640
  193    HE2  PHE  72           HE1      PHE  72  52.557  -0.059   4.265
  194    HZ   PHE  72           HZ       PHE  72  52.396   2.062   3.021
  195    H    GLU  73           HN       GLU  73  56.555  -3.807   1.819
  196    HA   GLU  73           HA       GLU  73  57.360  -1.808   3.686
  197    HB2  GLU  73           HB2      GLU  73  57.602  -4.769   3.470
  198    HB3  GLU  73           HB1      GLU  73  58.730  -3.941   4.535
  199    HG2  GLU  73           HG2      GLU  73  56.282  -2.845   5.193
  200    HG3  GLU  73           HG1      GLU  73  55.923  -4.547   4.908
  201    H    ASP  74           HN       ASP  74  58.890  -3.623   1.119
  202    HA   ASP  74           HA       ASP  74  61.548  -2.868   1.747
  203    HB2  ASP  74           HB2      ASP  74  60.444  -4.700   0.059
  204    HB3  ASP  74           HB1      ASP  74  60.948  -3.453  -1.078
  205    H    HIS  75           HN       HIS  75  59.133  -1.664  -0.531
  206    HA   HIS  75           HA       HIS  75  60.631   0.299  -1.790
  207    HB2  HIS  75           HB2      HIS  75  58.433  -0.302  -2.595
  208    HB3  HIS  75           HB1      HIS  75  57.689   0.266  -1.103
  209    HD1  HIS  75           HD1      HIS  75  58.502   1.370  -4.468
  210    HD2  HIS  75           HD2      HIS  75  58.031   3.160  -0.743
  211    HE1  HIS  75           HE1      HIS  75  58.145   3.838  -4.899
  212    H    VAL  76           HN       VAL  76  58.509   0.667   1.036
  213    HA   VAL  76           HA       VAL  76  59.137   3.342   1.593
  214    HB   VAL  76           HB       VAL  76  58.364   1.158   3.541
  215   HG11  VAL  76          HG11      VAL  76  58.845   2.704   5.088
  216   HG12  VAL  76          HG12      VAL  76  57.381   3.516   4.534
  217   HG13  VAL  76          HG13      VAL  76  58.951   3.998   3.894
  218   HG21  VAL  76          HG21      VAL  76  56.175   2.786   3.145
  219   HG22  VAL  76          HG22      VAL  76  56.426   1.193   2.432
  220   HG23  VAL  76          HG23      VAL  76  56.872   2.641   1.530
  221    H    PHE  77           HN       PHE  77  60.669   0.320   2.478
  222    HA   PHE  77           HA       PHE  77  62.505   1.227   4.373
  223    HB2  PHE  77           HB2      PHE  77  62.014  -1.189   3.585
  224    HB3  PHE  77           HB1      PHE  77  63.203  -0.872   2.327
  225    HD1  PHE  77           HD1      PHE  77  65.522  -0.063   3.105
  226    HD2  PHE  77           HD2      PHE  77  62.690  -1.948   5.662
  227    HE1  PHE  77           HE1      PHE  77  67.329  -0.651   4.667
  228    HE2  PHE  77           HE2      PHE  77  64.493  -2.539   7.229
  229    HZ   PHE  77           HZ       PHE  77  66.817  -1.891   6.732
  230    H    CYS  78           HN       CYS  78  62.464   1.460   0.887
  231    HA   CYS  78           HA       CYS  78  65.159   2.230   0.561
  232    HB2  CYS  78           HB2      CYS  78  62.945   1.803  -1.131
  233    HB3  CYS  78           HB1      CYS  78  63.458   3.463  -1.415
  234    HG   CYS  78           HG       CYS  78  65.898   2.367  -1.894
  235    H    HIS  79           HN       HIS  79  62.175   4.084   0.918
  236    HA   HIS  79           HA       HIS  79  63.397   6.632   0.835
  237    HB2  HIS  79           HB2      HIS  79  60.849   5.696   2.173
  238    HB3  HIS  79           HB1      HIS  79  61.341   7.383   2.085
  239    HD1  HIS  79           HD1      HIS  79  61.486   8.386  -0.438
  240    HD2  HIS  79           HD2      HIS  79  59.508   4.766   0.036
  241    HE1  HIS  79           HE1      HIS  79  60.090   8.061  -2.525
  242    H    SER  80           HN       SER  80  63.400   4.105   3.122
  243    HA   SER  80           HA       SER  80  63.866   5.704   5.458
  244    HB2  SER  80           HB2      SER  80  63.382   2.949   4.881
  245    HB3  SER  80           HB1      SER  80  64.852   3.067   5.847
  246    HG   SER  80           HG       SER  80  63.525   4.512   7.233
  247    H    LEU  81           HN       LEU  81  65.782   4.707   2.844
  248    HA   LEU  81           HA       LEU  81  68.271   4.574   4.245
  249    HB2  LEU  81           HB2      LEU  81  67.755   4.898   1.297
  250    HB3  LEU  81           HB1      LEU  81  69.278   4.432   2.040
  251    HG   LEU  81           HG       LEU  81  66.874   2.785   2.612
  252   HD11  LEU  81          HD11      LEU  81  68.492   2.438   0.092
  253   HD12  LEU  81          HD12      LEU  81  66.911   3.217   0.136
  254   HD13  LEU  81          HD13      LEU  81  67.072   1.524   0.599
  255   HD21  LEU  81          HD21      LEU  81  68.601   1.852   3.734
  256   HD22  LEU  81          HD22      LEU  81  69.815   2.521   2.643
  257   HD23  LEU  81          HD23      LEU  81  68.904   1.085   2.174
  Start of MODEL    8
    1    H1   GLN  49           HT1      GLN  49  33.246  -1.584   4.902
    2    H2   GLN  49           HT2      GLN  49  33.767  -1.484   6.534
    3    H3   GLN  49           HT3      GLN  49  33.710  -3.006   5.741
    4    HA   GLN  49           HA       GLN  49  35.467  -2.486   4.361
    5    HB2  GLN  49           HB2      GLN  49  34.869   0.297   5.302
    6    HB3  GLN  49           HB1      GLN  49  36.478  -0.092   4.707
    7    HG2  GLN  49           HG2      GLN  49  35.642   0.487   2.721
    8    HG3  GLN  49           HG1      GLN  49  34.938  -1.129   2.738
    9   HE21  GLN  49          HE21      GLN  49  33.373  -0.162   1.277
   10   HE22  GLN  49          HE22      GLN  49  32.022   0.693   1.935
   11    H    MET  50           HN       MET  50  36.848  -3.768   5.422
   12    HA   MET  50           HA       MET  50  37.701  -3.050   8.125
   13    HB2  MET  50           HB2      MET  50  36.906  -5.368   7.633
   14    HB3  MET  50           HB1      MET  50  38.288  -5.570   6.564
   15    HG2  MET  50           HG2      MET  50  39.265  -6.443   8.373
   16    HG3  MET  50           HG1      MET  50  39.522  -4.759   8.825
   17    HE1  MET  50           HE1      MET  50  39.254  -5.365  11.970
   18    HE2  MET  50           HE2      MET  50  37.995  -4.136  11.846
   19    HE3  MET  50           HE3      MET  50  39.377  -4.096  10.751
   20    H    GLN  51           HN       GLN  51  38.927  -3.454   4.868
   21    HA   GLN  51           HA       GLN  51  41.325  -1.997   5.593
   22    HB2  GLN  51           HB2      GLN  51  42.766  -3.727   4.410
   23    HB3  GLN  51           HB1      GLN  51  42.181  -4.159   6.011
   24    HG2  GLN  51           HG2      GLN  51  40.239  -5.284   4.684
   25    HG3  GLN  51           HG1      GLN  51  41.389  -5.235   3.349
   26   HE21  GLN  51          HE21      GLN  51  41.438  -6.011   6.817
   27   HE22  GLN  51          HE22      GLN  51  42.331  -7.480   6.648
   28    HA   PRO  52           HA       PRO  52  40.754  -0.348   1.545
   29    HB2  PRO  52           HB2      PRO  52  43.264   0.457   0.931
   30    HB3  PRO  52           HB1      PRO  52  42.268   1.277   2.139
   31    HG2  PRO  52           HG2      PRO  52  44.456  -0.729   2.533
   32    HG3  PRO  52           HG1      PRO  52  44.137   0.769   3.427
   33    HD2  PRO  52           HD2      PRO  52  43.421  -1.678   4.357
   34    HD3  PRO  52           HD1      PRO  52  42.503  -0.204   4.723
   35    H    LEU  53           HN       LEU  53  42.841  -3.034   2.071
   36    HA   LEU  53           HA       LEU  53  43.514  -4.752   0.743
   37    HB2  LEU  53           HB2      LEU  53  41.015  -4.172  -0.110
   38    HB3  LEU  53           HB1      LEU  53  41.915  -3.899  -1.590
   39    HG   LEU  53           HG       LEU  53  42.910  -6.245  -1.177
   40   HD11  LEU  53          HD11      LEU  53  40.907  -7.576  -0.016
   41   HD12  LEU  53          HD12      LEU  53  40.812  -6.072   0.898
   42   HD13  LEU  53          HD13      LEU  53  42.314  -6.995   0.874
   43   HD21  LEU  53          HD21      LEU  53  41.452  -5.826  -3.020
   44   HD22  LEU  53          HD22      LEU  53  40.040  -5.783  -1.965
   45   HD23  LEU  53          HD23      LEU  53  40.902  -7.300  -2.225
   46    H    CYS  54           HN       CYS  54  44.920  -2.234   0.696
   47    HA   CYS  54           HA       CYS  54  46.703  -2.732  -1.437
   48    HB2  CYS  54           HB2      CYS  54  46.373  -0.703  -2.759
   49    HB3  CYS  54           HB1      CYS  54  44.917  -1.692  -2.773
   50    HG   CYS  54           HG       CYS  54  44.325   0.846  -2.389
   51    H    PHE  55           HN       PHE  55  48.648  -1.723  -1.097
   52    HA   PHE  55           HA       PHE  55  48.815  -0.080   1.324
   53    HB2  PHE  55           HB2      PHE  55  50.711  -1.894  -0.106
   54    HB3  PHE  55           HB1      PHE  55  51.372  -0.580   0.862
   55    HD1  PHE  55           HD2      PHE  55  49.880  -0.405   3.217
   56    HD2  PHE  55           HD1      PHE  55  50.807  -3.903   0.977
   57    HE1  PHE  55           HE2      PHE  55  49.622  -1.770   5.248
   58    HE2  PHE  55           HE1      PHE  55  50.550  -5.273   3.003
   59    HZ   PHE  55           HZ       PHE  55  49.957  -4.207   5.143
   60    H    ASN  56           HN       ASN  56  50.235   1.786   1.349
   61    HA   ASN  56           HA       ASN  56  50.933   2.907  -1.244
   62    HB2  ASN  56           HB2      ASN  56  49.821   5.101  -0.556
   63    HB3  ASN  56           HB1      ASN  56  48.757   3.803  -1.087
   64   HD21  ASN  56          HD21      ASN  56  47.213   5.207   0.093
   65   HD22  ASN  56          HD22      ASN  56  46.997   4.918   1.783
   66    H    CYS  57           HN       CYS  57  52.786   3.983  -1.189
   67    HA   CYS  57           HA       CYS  57  54.200   4.247   1.302
   68    HB2  CYS  57           HB2      CYS  57  55.491   3.541  -0.574
   69    HB3  CYS  57           HB1      CYS  57  54.908   4.873  -1.564
   70    HA   PRO  58           HA       PRO  58  52.759   8.458   1.824
   71    HB2  PRO  58           HB2      PRO  58  53.802   8.900   4.251
   72    HB3  PRO  58           HB1      PRO  58  52.423   7.820   4.019
   73    HG2  PRO  58           HG2      PRO  58  55.315   7.147   4.387
   74    HG3  PRO  58           HG1      PRO  58  53.888   6.374   5.100
   75    HD2  PRO  58           HD2      PRO  58  55.233   5.396   2.917
   76    HD3  PRO  58           HD1      PRO  58  53.520   5.077   3.251
   77    H    ILE  59           HN       ILE  59  56.054   7.398   1.702
   78    HA   ILE  59           HA       ILE  59  57.265   9.949   2.078
   79    HB   ILE  59           HB       ILE  59  58.454   7.591   0.619
   80   HG12  ILE  59          HG12      ILE  59  59.498   7.628   3.189
   81   HG13  ILE  59          HG11      ILE  59  57.788   7.967   3.442
   82   HG21  ILE  59          HG21      ILE  59  59.511  10.141   1.741
   83   HG22  ILE  59          HG22      ILE  59  59.910   9.321   0.231
   84   HG23  ILE  59          HG23      ILE  59  60.539   8.708   1.759
   85   HD11  ILE  59          HD11      ILE  59  57.131   5.923   2.574
   86   HD12  ILE  59          HD12      ILE  59  58.593   5.531   3.477
   87   HD13  ILE  59          HD13      ILE  59  58.655   5.682   1.721
   88    H    CYS  60           HN       CYS  60  56.705   7.992  -0.884
   89    HA   CYS  60           HA       CYS  60  57.010  10.500  -2.405
   90    HB2  CYS  60           HB2      CYS  60  57.755   9.255  -4.282
   91    HB3  CYS  60           HB1      CYS  60  58.629   8.626  -2.890
   92    H    ASP  61           HN       ASP  61  54.670   8.467  -1.270
   93    HA   ASP  61           HA       ASP  61  52.412   8.480  -1.614
   94    HB2  ASP  61           HB2      ASP  61  52.775  10.028  -4.172
   95    HB3  ASP  61           HB1      ASP  61  51.369   9.970  -3.114
   96    H    LYS  62           HN       LYS  62  54.116   6.415  -2.497
   97    HA   LYS  62           HA       LYS  62  53.175   5.573  -5.102
   98    HB2  LYS  62           HB2      LYS  62  55.408   4.979  -3.491
   99    HB3  LYS  62           HB1      LYS  62  54.495   3.483  -3.614
  100    HG2  LYS  62           HG2      LYS  62  54.595   4.614  -6.201
  101    HG3  LYS  62           HG1      LYS  62  56.222   4.693  -5.525
  102    HD2  LYS  62           HD2      LYS  62  55.991   2.272  -4.919
  103    HD3  LYS  62           HD1      LYS  62  54.477   2.253  -5.826
  104    HE2  LYS  62           HE2      LYS  62  56.124   1.447  -7.307
  105    HE3  LYS  62           HE1      LYS  62  55.806   3.109  -7.800
  106    HZ1  LYS  62           HZ1      LYS  62  57.794   3.825  -6.701
  107    HZ2  LYS  62           HZ2      LYS  62  58.189   2.543  -7.732
  108    HZ3  LYS  62           HZ3      LYS  62  58.068   2.281  -6.065
  109    H    ILE  63           HN       ILE  63  52.142   3.408  -5.380
  110    HA   ILE  63           HA       ILE  63  50.660   2.425  -3.073
  111    HB   ILE  63           HB       ILE  63  49.235   3.428  -5.540
  112   HG12  ILE  63          HG12      ILE  63  48.068   4.797  -3.603
  113   HG13  ILE  63          HG11      ILE  63  49.599   4.522  -2.781
  114   HG21  ILE  63          HG21      ILE  63  47.179   2.823  -4.291
  115   HG22  ILE  63          HG22      ILE  63  48.190   2.049  -3.071
  116   HG23  ILE  63          HG23      ILE  63  48.172   1.431  -4.722
  117   HD11  ILE  63          HD11      ILE  63  50.514   5.403  -5.136
  118   HD12  ILE  63          HD12      ILE  63  50.130   6.465  -3.781
  119   HD13  ILE  63          HD13      ILE  63  48.963   6.240  -5.084
  120    H    PHE  64           HN       PHE  64  50.124   0.318  -3.189
  121    HA   PHE  64           HA       PHE  64  50.171  -1.096  -5.721
  122    HB2  PHE  64           HB2      PHE  64  51.678  -2.679  -3.834
  123    HB3  PHE  64           HB1      PHE  64  52.102  -2.204  -5.470
  124    HD1  PHE  64           HD2      PHE  64  51.867  -0.568  -2.114
  125    HD2  PHE  64           HD1      PHE  64  54.103  -1.144  -5.688
  126    HE1  PHE  64           HE2      PHE  64  53.658   0.862  -1.220
  127    HE2  PHE  64           HE1      PHE  64  55.900   0.279  -4.799
  128    HZ   PHE  64           HZ       PHE  64  55.683   1.283  -2.561
  129    HA   PRO  65           HA       PRO  65  46.895  -3.494  -4.038
  130    HB2  PRO  65           HB2      PRO  65  48.415  -5.955  -4.734
  131    HB3  PRO  65           HB1      PRO  65  46.776  -5.478  -5.189
  132    HG2  PRO  65           HG2      PRO  65  48.768  -5.352  -6.952
  133    HG3  PRO  65           HG1      PRO  65  47.507  -4.106  -6.906
  134    HD2  PRO  65           HD2      PRO  65  50.321  -3.998  -5.909
  135    HD3  PRO  65           HD1      PRO  65  49.342  -2.728  -6.673
  136    H    ALA  66           HN       ALA  66  46.311  -4.948  -2.327
  137    HA   ALA  66           HA       ALA  66  47.889  -4.695  -0.023
  138    HB1  ALA  66           HB1      ALA  66  45.716  -4.971   0.566
  139    HB2  ALA  66           HB2      ALA  66  46.235  -6.649   0.720
  140    HB3  ALA  66           HB3      ALA  66  45.393  -6.117  -0.734
  141    H    THR  67           HN       THR  67  47.861  -7.100  -2.516
  142    HA   THR  67           HA       THR  67  49.179  -9.129  -0.969
  143    HB   THR  67           HB       THR  67  49.605  -9.951  -3.479
  144    HG1  THR  67           HG1      THR  67  48.468  -8.926  -4.909
  145   HG21  THR  67          HG21      THR  67  46.887 -10.011  -2.192
  146   HG22  THR  67          HG22      THR  67  48.208 -11.136  -1.871
  147   HG23  THR  67          HG23      THR  67  47.463 -11.081  -3.469
  148    H    GLU  68           HN       GLU  68  50.217  -6.233  -2.202
  149    HA   GLU  68           HA       GLU  68  52.884  -7.185  -2.888
  150    HB2  GLU  68           HB2      GLU  68  51.321  -4.733  -3.429
  151    HB3  GLU  68           HB1      GLU  68  53.050  -4.507  -3.202
  152    HG2  GLU  68           HG2      GLU  68  52.400  -4.796  -5.560
  153    HG3  GLU  68           HG1      GLU  68  53.543  -6.015  -4.999
  154    H    LYS  69           HN       LYS  69  51.849  -7.240  -0.133
  155    HA   LYS  69           HA       LYS  69  52.791  -5.176   1.464
  156    HB2  LYS  69           HB2      LYS  69  52.881  -6.838   3.281
  157    HB3  LYS  69           HB1      LYS  69  51.397  -6.961   2.347
  158    HG2  LYS  69           HG2      LYS  69  51.898  -9.017   1.562
  159    HG3  LYS  69           HG1      LYS  69  53.629  -8.687   1.485
  160    HD2  LYS  69           HD2      LYS  69  53.676 -10.105   3.249
  161    HD3  LYS  69           HD1      LYS  69  53.284  -8.636   4.145
  162    HE2  LYS  69           HE2      LYS  69  50.958 -10.037   3.043
  163    HE3  LYS  69           HE1      LYS  69  51.862 -10.965   4.239
  164    HZ1  LYS  69           HZ1      LYS  69  51.705  -8.967   5.705
  165    HZ2  LYS  69           HZ2      LYS  69  50.228  -9.729   5.392
  166    HZ3  LYS  69           HZ3      LYS  69  50.626  -8.294   4.590
  167    H    GLN  70           HN       GLN  70  54.522  -7.743  -0.132
  168    HA   GLN  70           HA       GLN  70  56.937  -7.507   1.355
  169    HB2  GLN  70           HB2      GLN  70  56.489  -8.585  -1.435
  170    HB3  GLN  70           HB1      GLN  70  57.942  -8.817  -0.471
  171    HG2  GLN  70           HG2      GLN  70  55.833  -9.683   1.141
  172    HG3  GLN  70           HG1      GLN  70  55.486 -10.306  -0.471
  173   HE21  GLN  70          HE21      GLN  70  58.137 -10.010   1.861
  174   HE22  GLN  70          HE22      GLN  70  58.852 -11.542   1.505
  175    H    ILE  71           HN       ILE  71  55.723  -6.072  -1.621
  176    HA   ILE  71           HA       ILE  71  58.168  -4.679  -2.196
  177    HB   ILE  71           HB       ILE  71  55.431  -4.126  -3.339
  178   HG12  ILE  71          HG12      ILE  71  57.564  -6.056  -4.282
  179   HG13  ILE  71          HG11      ILE  71  55.984  -6.489  -3.637
  180   HG21  ILE  71          HG21      ILE  71  57.650  -2.632  -3.596
  181   HG22  ILE  71          HG22      ILE  71  56.426  -2.784  -4.856
  182   HG23  ILE  71          HG23      ILE  71  57.890  -3.766  -4.926
  183   HD11  ILE  71          HD11      ILE  71  56.752  -5.706  -6.319
  184   HD12  ILE  71          HD12      ILE  71  55.369  -4.797  -5.710
  185   HD13  ILE  71          HD13      ILE  71  55.317  -6.560  -5.751
  186    H    PHE  72           HN       PHE  72  55.184  -3.988  -0.514
  187    HA   PHE  72           HA       PHE  72  55.517  -1.166  -0.384
  188    HB2  PHE  72           HB2      PHE  72  53.318  -2.039  -0.049
  189    HB3  PHE  72           HB1      PHE  72  53.868  -3.111   1.234
  190    HD1  PHE  72           HD1      PHE  72  54.314   0.542   0.605
  191    HD2  PHE  72           HD2      PHE  72  52.907  -2.502   3.223
  192    HE1  PHE  72           HE1      PHE  72  53.737   2.252   2.276
  193    HE2  PHE  72           HE2      PHE  72  52.326  -0.798   4.900
  194    HZ   PHE  72           HZ       PHE  72  52.741   1.583   4.426
  195    H    GLU  73           HN       GLU  73  56.559  -3.863   1.599
  196    HA   GLU  73           HA       GLU  73  57.491  -2.237   3.763
  197    HB2  GLU  73           HB2      GLU  73  57.329  -5.084   3.134
  198    HB3  GLU  73           HB1      GLU  73  58.831  -4.658   3.944
  199    HG2  GLU  73           HG2      GLU  73  56.173  -3.780   5.009
  200    HG3  GLU  73           HG1      GLU  73  56.842  -5.368   5.379
  201    H    ASP  74           HN       ASP  74  58.916  -3.862   0.983
  202    HA   ASP  74           HA       ASP  74  61.585  -3.122   1.600
  203    HB2  ASP  74           HB2      ASP  74  60.492  -4.903  -0.126
  204    HB3  ASP  74           HB1      ASP  74  60.902  -3.598  -1.235
  205    H    HIS  75           HN       HIS  75  59.043  -1.761  -0.405
  206    HA   HIS  75           HA       HIS  75  60.503   0.233  -1.695
  207    HB2  HIS  75           HB2      HIS  75  58.222  -0.368  -2.345
  208    HB3  HIS  75           HB1      HIS  75  57.610   0.266  -0.819
  209    HD1  HIS  75           HD1      HIS  75  57.961   1.236  -4.235
  210    HD2  HIS  75           HD2      HIS  75  58.376   3.169  -0.574
  211    HE1  HIS  75           HE1      HIS  75  57.798   3.718  -4.709
  212    H    VAL  76           HN       VAL  76  58.547   0.467   1.255
  213    HA   VAL  76           HA       VAL  76  59.241   3.110   1.902
  214    HB   VAL  76           HB       VAL  76  58.513   0.892   3.822
  215   HG11  VAL  76          HG11      VAL  76  58.322   2.429   5.450
  216   HG12  VAL  76          HG12      VAL  76  57.653   3.644   4.363
  217   HG13  VAL  76          HG13      VAL  76  59.397   3.389   4.436
  218   HG21  VAL  76          HG21      VAL  76  56.468   2.819   2.922
  219   HG22  VAL  76          HG22      VAL  76  56.328   1.099   3.285
  220   HG23  VAL  76          HG23      VAL  76  56.987   1.623   1.735
  221    H    PHE  77           HN       PHE  77  60.751   0.022   2.569
  222    HA   PHE  77           HA       PHE  77  62.606   0.782   4.508
  223    HB2  PHE  77           HB2      PHE  77  62.054  -1.563   3.374
  224    HB3  PHE  77           HB1      PHE  77  63.454  -1.145   2.393
  225    HD1  PHE  77           HD2      PHE  77  62.454  -1.131   5.991
  226    HD2  PHE  77           HD1      PHE  77  65.483  -1.924   3.108
  227    HE1  PHE  77           HE2      PHE  77  63.939  -1.940   7.779
  228    HE2  PHE  77           HE1      PHE  77  66.972  -2.735   4.890
  229    HZ   PHE  77           HZ       PHE  77  66.202  -2.743   7.230
  230    H    CYS  78           HN       CYS  78  62.651   1.111   1.012
  231    HA   CYS  78           HA       CYS  78  65.332   1.932   0.787
  232    HB2  CYS  78           HB2      CYS  78  62.915   2.256  -0.958
  233    HB3  CYS  78           HB1      CYS  78  64.412   3.088  -1.366
  234    HG   CYS  78           HG       CYS  78  65.166   1.011  -2.395
  235    H    HIS  79           HN       HIS  79  62.331   3.773   1.104
  236    HA   HIS  79           HA       HIS  79  63.570   6.318   1.118
  237    HB2  HIS  79           HB2      HIS  79  60.958   5.361   2.309
  238    HB3  HIS  79           HB1      HIS  79  61.465   7.046   2.316
  239    HD1  HIS  79           HD1      HIS  79  61.682   8.186  -0.121
  240    HD2  HIS  79           HD2      HIS  79  59.783   4.498   0.040
  241    HE1  HIS  79           HE1      HIS  79  60.401   7.955  -2.290
  242    H    SER  80           HN       SER  80  63.492   3.745   3.342
  243    HA   SER  80           HA       SER  80  63.858   5.289   5.732
  244    HB2  SER  80           HB2      SER  80  63.345   2.574   5.101
  245    HB3  SER  80           HB1      SER  80  64.841   2.615   6.032
  246    HG   SER  80           HG       SER  80  62.288   3.591   6.761
  247    H    LEU  81           HN       LEU  81  65.875   4.336   3.174
  248    HA   LEU  81           HA       LEU  81  68.311   4.177   4.656
  249    HB2  LEU  81           HB2      LEU  81  67.900   4.586   1.702
  250    HB3  LEU  81           HB1      LEU  81  69.393   4.092   2.486
  251    HG   LEU  81           HG       LEU  81  66.964   2.440   2.919
  252   HD11  LEU  81          HD11      LEU  81  67.070   2.927   0.467
  253   HD12  LEU  81          HD12      LEU  81  67.263   1.223   0.878
  254   HD13  LEU  81          HD13      LEU  81  68.673   2.191   0.445
  255   HD21  LEU  81          HD21      LEU  81  69.899   2.161   3.059
  256   HD22  LEU  81          HD22      LEU  81  69.005   0.745   2.507
  257   HD23  LEU  81          HD23      LEU  81  68.639   1.462   4.076
  Start of MODEL    9
    1    H1   GLN  49           HT1      GLN  49  39.391  -3.639   7.513
    2    H2   GLN  49           HT2      GLN  49  39.229  -4.990   8.559
    3    H3   GLN  49           HT3      GLN  49  38.290  -3.579   8.825
    4    HA   GLN  49           HA       GLN  49  38.066  -5.588   6.709
    5    HB2  GLN  49           HB2      GLN  49  36.840  -5.214   9.151
    6    HB3  GLN  49           HB1      GLN  49  35.703  -4.470   8.035
    7    HG2  GLN  49           HG2      GLN  49  35.039  -6.435   7.219
    8    HG3  GLN  49           HG1      GLN  49  36.686  -7.061   7.131
    9   HE21  GLN  49          HE21      GLN  49  33.853  -6.700   9.120
   10   HE22  GLN  49          HE22      GLN  49  34.297  -7.867  10.316
   11    H    MET  50           HN       MET  50  37.538  -2.226   7.541
   12    HA   MET  50           HA       MET  50  36.243  -1.766   4.946
   13    HB2  MET  50           HB2      MET  50  36.046  -0.516   7.593
   14    HB3  MET  50           HB1      MET  50  36.161   0.641   6.273
   15    HG2  MET  50           HG2      MET  50  34.210  -0.207   5.239
   16    HG3  MET  50           HG1      MET  50  34.181  -1.617   6.296
   17    HE1  MET  50           HE1      MET  50  33.011  -0.227   9.683
   18    HE2  MET  50           HE2      MET  50  34.711  -0.352   9.227
   19    HE3  MET  50           HE3      MET  50  33.575  -1.615   8.752
   20    H    GLN  51           HN       GLN  51  38.394  -2.095   3.949
   21    HA   GLN  51           HA       GLN  51  39.749   0.470   3.695
   22    HB2  GLN  51           HB2      GLN  51  41.024  -2.039   4.709
   23    HB3  GLN  51           HB1      GLN  51  41.971  -0.937   3.719
   24    HG2  GLN  51           HG2      GLN  51  40.475   0.064   6.105
   25    HG3  GLN  51           HG1      GLN  51  42.047  -0.714   6.284
   26   HE21  GLN  51          HE21      GLN  51  40.735   2.165   6.299
   27   HE22  GLN  51          HE22      GLN  51  41.963   3.114   5.541
   28    HA   PRO  52           HA       PRO  52  40.024  -0.486  -0.587
   29    HB2  PRO  52           HB2      PRO  52  42.876   0.281  -0.622
   30    HB3  PRO  52           HB1      PRO  52  41.508   1.001  -1.476
   31    HG2  PRO  52           HG2      PRO  52  42.671   2.245   0.590
   32    HG3  PRO  52           HG1      PRO  52  40.923   2.340   0.314
   33    HD2  PRO  52           HD2      PRO  52  42.445   0.669   2.278
   34    HD3  PRO  52           HD1      PRO  52  40.918   1.550   2.492
   35    H    LEU  53           HN       LEU  53  42.157  -2.008   1.630
   36    HA   LEU  53           HA       LEU  53  43.048  -4.108   1.645
   37    HB2  LEU  53           HB2      LEU  53  41.008  -4.418  -0.083
   38    HB3  LEU  53           HB1      LEU  53  42.351  -4.711  -1.171
   39    HG   LEU  53           HG       LEU  53  43.009  -6.293   0.968
   40   HD11  LEU  53          HD11      LEU  53  40.868  -7.598   1.350
   41   HD12  LEU  53          HD12      LEU  53  40.018  -6.188   0.721
   42   HD13  LEU  53          HD13      LEU  53  41.007  -6.046   2.174
   43   HD21  LEU  53          HD21      LEU  53  43.268  -7.185  -1.150
   44   HD22  LEU  53          HD22      LEU  53  41.616  -6.794  -1.629
   45   HD23  LEU  53          HD23      LEU  53  41.919  -8.126  -0.513
   46    H    CYS  54           HN       CYS  54  44.439  -1.737   0.769
   47    HA   CYS  54           HA       CYS  54  46.724  -3.030  -0.465
   48    HB2  CYS  54           HB2      CYS  54  45.493  -0.561  -1.714
   49    HB3  CYS  54           HB1      CYS  54  46.974  -1.358  -2.231
   50    HG   CYS  54           HG       CYS  54  45.056  -3.446  -2.588
   51    H    PHE  55           HN       PHE  55  48.372  -0.974  -0.895
   52    HA   PHE  55           HA       PHE  55  48.343   0.669   1.537
   53    HB2  PHE  55           HB2      PHE  55  50.619  -1.036   0.519
   54    HB3  PHE  55           HB1      PHE  55  50.855   0.284   1.660
   55    HD1  PHE  55           HD2      PHE  55  49.192  -2.977   1.173
   56    HD2  PHE  55           HD1      PHE  55  50.391   0.015   3.951
   57    HE1  PHE  55           HE2      PHE  55  48.661  -4.497   3.033
   58    HE2  PHE  55           HE1      PHE  55  49.862  -1.499   5.816
   59    HZ   PHE  55           HZ       PHE  55  48.995  -3.759   5.359
   60    H    ASN  56           HN       ASN  56  49.985   2.476   1.387
   61    HA   ASN  56           HA       ASN  56  50.572   3.275  -1.361
   62    HB2  ASN  56           HB2      ASN  56  49.155   5.148   0.538
   63    HB3  ASN  56           HB1      ASN  56  49.517   5.415  -1.165
   64   HD21  ASN  56          HD21      ASN  56  48.553   3.723  -2.650
   65   HD22  ASN  56          HD22      ASN  56  46.922   3.257  -2.324
   66    H    CYS  57           HN       CYS  57  52.550   4.084  -1.522
   67    HA   CYS  57           HA       CYS  57  54.164   4.504   0.803
   68    HB2  CYS  57           HB2      CYS  57  55.215   3.562  -1.138
   69    HB3  CYS  57           HB1      CYS  57  54.682   4.900  -2.146
   70    HA   PRO  58           HA       PRO  58  52.819   8.794   1.148
   71    HB2  PRO  58           HB2      PRO  58  54.660   8.912   3.419
   72    HB3  PRO  58           HB1      PRO  58  52.907   9.108   3.389
   73    HG2  PRO  58           HG2      PRO  58  54.121   6.947   4.474
   74    HG3  PRO  58           HG1      PRO  58  52.517   6.874   3.722
   75    HD2  PRO  58           HD2      PRO  58  55.169   6.023   2.637
   76    HD3  PRO  58           HD1      PRO  58  53.576   5.256   2.462
   77    H    ILE  59           HN       ILE  59  55.992   7.563   0.674
   78    HA   ILE  59           HA       ILE  59  57.314  10.111   0.663
   79    HB   ILE  59           HB       ILE  59  58.299   7.495  -0.465
   80   HG12  ILE  59          HG12      ILE  59  59.605   7.973   1.937
   81   HG13  ILE  59          HG11      ILE  59  57.936   8.420   2.279
   82   HG21  ILE  59          HG21      ILE  59  59.557  10.149   0.062
   83   HG22  ILE  59          HG22      ILE  59  59.741   9.074  -1.323
   84   HG23  ILE  59          HG23      ILE  59  60.528   8.684   0.206
   85   HD11  ILE  59          HD11      ILE  59  58.763   5.792   1.077
   86   HD12  ILE  59          HD12      ILE  59  57.162   6.248   1.658
   87   HD13  ILE  59          HD13      ILE  59  58.496   6.062   2.798
   88    H    CYS  60           HN       CYS  60  56.481   7.769  -1.941
   89    HA   CYS  60           HA       CYS  60  56.609  10.062  -3.796
   90    HB2  CYS  60           HB2      CYS  60  57.434   8.663  -5.523
   91    HB3  CYS  60           HB1      CYS  60  58.392   8.302  -4.092
   92    H    ASP  61           HN       ASP  61  54.498   7.986  -2.336
   93    HA   ASP  61           HA       ASP  61  52.217   7.884  -2.595
   94    HB2  ASP  61           HB2      ASP  61  52.732   9.840  -4.392
   95    HB3  ASP  61           HB1      ASP  61  52.151   8.572  -5.468
   96    H    LYS  62           HN       LYS  62  54.460   5.973  -3.651
   97    HA   LYS  62           HA       LYS  62  53.435   4.412  -5.712
   98    HB2  LYS  62           HB2      LYS  62  55.717   4.215  -4.650
   99    HB3  LYS  62           HB1      LYS  62  54.954   3.345  -3.329
  100    HG2  LYS  62           HG2      LYS  62  55.918   1.759  -4.823
  101    HG3  LYS  62           HG1      LYS  62  54.165   1.660  -4.974
  102    HD2  LYS  62           HD2      LYS  62  54.584   3.408  -6.910
  103    HD3  LYS  62           HD1      LYS  62  56.190   2.680  -6.903
  104    HE2  LYS  62           HE2      LYS  62  53.550   1.293  -7.328
  105    HE3  LYS  62           HE1      LYS  62  54.843   1.517  -8.505
  106    HZ1  LYS  62           HZ1      LYS  62  56.146   0.238  -6.570
  107    HZ2  LYS  62           HZ2      LYS  62  55.387  -0.550  -7.859
  108    HZ3  LYS  62           HZ3      LYS  62  54.603  -0.428  -6.366
  109    H    ILE  63           HN       ILE  63  52.446   2.222  -5.554
  110    HA   ILE  63           HA       ILE  63  50.736   1.888  -3.193
  111    HB   ILE  63           HB       ILE  63  49.669   1.636  -6.002
  112   HG12  ILE  63          HG12      ILE  63  48.299   3.717  -4.975
  113   HG13  ILE  63          HG11      ILE  63  49.840   3.957  -4.159
  114   HG21  ILE  63          HG21      ILE  63  48.208   1.734  -3.369
  115   HG22  ILE  63          HG22      ILE  63  48.618   0.247  -4.226
  116   HG23  ILE  63          HG23      ILE  63  47.521   1.417  -4.962
  117   HD11  ILE  63          HD11      ILE  63  49.384   5.108  -6.433
  118   HD12  ILE  63          HD12      ILE  63  49.778   3.528  -7.109
  119   HD13  ILE  63          HD13      ILE  63  50.961   4.384  -6.121
  120    H    PHE  64           HN       PHE  64  50.220  -0.198  -2.661
  121    HA   PHE  64           HA       PHE  64  51.010  -2.371  -4.441
  122    HB2  PHE  64           HB2      PHE  64  52.018  -2.149  -1.595
  123    HB3  PHE  64           HB1      PHE  64  52.282  -3.510  -2.678
  124    HD1  PHE  64           HD1      PHE  64  53.134  -0.001  -2.000
  125    HD2  PHE  64           HD2      PHE  64  53.963  -3.444  -4.359
  126    HE1  PHE  64           HE1      PHE  64  55.207   1.052  -2.802
  127    HE2  PHE  64           HE2      PHE  64  56.038  -2.397  -5.166
  128    HZ   PHE  64           HZ       PHE  64  56.663  -0.147  -4.385
  129    HA   PRO  65           HA       PRO  65  47.228  -4.100  -2.919
  130    HB2  PRO  65           HB2      PRO  65  47.847  -6.778  -3.168
  131    HB3  PRO  65           HB1      PRO  65  47.280  -5.753  -4.490
  132    HG2  PRO  65           HG2      PRO  65  50.059  -6.597  -3.802
  133    HG3  PRO  65           HG1      PRO  65  49.299  -6.424  -5.394
  134    HD2  PRO  65           HD2      PRO  65  50.997  -4.575  -4.414
  135    HD3  PRO  65           HD1      PRO  65  49.612  -4.133  -5.434
  136    H    ALA  66           HN       ALA  66  46.370  -5.126  -1.092
  137    HA   ALA  66           HA       ALA  66  47.756  -4.851   1.282
  138    HB1  ALA  66           HB1      ALA  66  45.253  -6.238   0.494
  139    HB2  ALA  66           HB2      ALA  66  45.508  -4.922   1.639
  140    HB3  ALA  66           HB3      ALA  66  45.921  -6.576   2.090
  141    H    THR  67           HN       THR  67  47.680  -7.560  -0.906
  142    HA   THR  67           HA       THR  67  48.788  -9.436   0.964
  143    HB   THR  67           HB       THR  67  49.240 -10.587  -1.442
  144    HG1  THR  67           HG1      THR  67  46.909  -9.063  -1.894
  145   HG21  THR  67          HG21      THR  67  47.695 -11.282   0.504
  146   HG22  THR  67          HG22      THR  67  47.356 -11.871  -1.123
  147   HG23  THR  67          HG23      THR  67  46.424 -10.529  -0.460
  148    H    GLU  68           HN       GLU  68  50.045  -6.960  -1.011
  149    HA   GLU  68           HA       GLU  68  52.699  -8.167  -1.039
  150    HB2  GLU  68           HB2      GLU  68  51.425  -5.939  -2.574
  151    HB3  GLU  68           HB1      GLU  68  53.176  -6.011  -2.438
  152    HG2  GLU  68           HG2      GLU  68  53.082  -8.326  -3.355
  153    HG3  GLU  68           HG1      GLU  68  51.360  -8.083  -3.641
  154    H    LYS  69           HN       LYS  69  51.521  -7.176   1.417
  155    HA   LYS  69           HA       LYS  69  52.392  -4.638   2.158
  156    HB2  LYS  69           HB2      LYS  69  50.912  -6.240   3.472
  157    HB3  LYS  69           HB1      LYS  69  52.394  -7.028   3.998
  158    HG2  LYS  69           HG2      LYS  69  52.544  -4.178   4.405
  159    HG3  LYS  69           HG1      LYS  69  51.118  -4.861   5.189
  160    HD2  LYS  69           HD2      LYS  69  53.007  -6.688   5.865
  161    HD3  LYS  69           HD1      LYS  69  53.972  -5.212   5.808
  162    HE2  LYS  69           HE2      LYS  69  52.758  -4.200   7.503
  163    HE3  LYS  69           HE1      LYS  69  51.354  -5.236   7.252
  164    HZ1  LYS  69           HZ1      LYS  69  53.793  -5.745   8.777
  165    HZ2  LYS  69           HZ2      LYS  69  53.093  -7.062   7.980
  166    HZ3  LYS  69           HZ3      LYS  69  52.194  -6.186   9.114
  167    H    GLN  70           HN       GLN  70  54.144  -7.630   1.814
  168    HA   GLN  70           HA       GLN  70  56.451  -6.967   3.277
  169    HB2  GLN  70           HB2      GLN  70  55.872  -9.251   2.455
  170    HB3  GLN  70           HB1      GLN  70  56.285  -8.727   0.829
  171    HG2  GLN  70           HG2      GLN  70  58.579  -8.187   1.702
  172    HG3  GLN  70           HG1      GLN  70  58.114  -9.003   3.194
  173   HE21  GLN  70          HE21      GLN  70  58.556  -9.432  -0.266
  174   HE22  GLN  70          HE22      GLN  70  58.851 -11.133  -0.207
  175    H    ILE  71           HN       ILE  71  55.821  -6.755  -0.207
  176    HA   ILE  71           HA       ILE  71  58.236  -5.482  -0.880
  177    HB   ILE  71           HB       ILE  71  55.609  -5.221  -2.345
  178   HG12  ILE  71          HG12      ILE  71  57.126  -7.132  -3.654
  179   HG13  ILE  71          HG11      ILE  71  57.389  -7.509  -1.954
  180   HG21  ILE  71          HG21      ILE  71  58.477  -4.870  -3.192
  181   HG22  ILE  71          HG22      ILE  71  57.199  -3.654  -3.174
  182   HG23  ILE  71          HG23      ILE  71  57.129  -4.990  -4.324
  183   HD11  ILE  71          HD11      ILE  71  54.978  -7.782  -3.604
  184   HD12  ILE  71          HD12      ILE  71  54.719  -7.185  -1.965
  185   HD13  ILE  71          HD13      ILE  71  55.530  -8.729  -2.223
  186    H    PHE  72           HN       PHE  72  55.179  -4.265   0.296
  187    HA   PHE  72           HA       PHE  72  55.540  -1.545  -0.355
  188    HB2  PHE  72           HB2      PHE  72  53.359  -2.435   0.289
  189    HB3  PHE  72           HB1      PHE  72  53.964  -2.806   1.900
  190    HD1  PHE  72           HD1      PHE  72  54.150   0.206  -0.299
  191    HD2  PHE  72           HD2      PHE  72  53.019  -1.426   3.465
  192    HE1  PHE  72           HE1      PHE  72  53.475   2.445   0.464
  193    HE2  PHE  72           HE2      PHE  72  52.341   0.810   4.235
  194    HZ   PHE  72           HZ       PHE  72  52.568   2.750   2.734
  195    H    GLU  73           HN       GLU  73  56.509  -3.485   2.417
  196    HA   GLU  73           HA       GLU  73  57.482  -1.285   3.952
  197    HB2  GLU  73           HB2      GLU  73  57.907  -4.269   4.134
  198    HB3  GLU  73           HB1      GLU  73  58.654  -3.135   5.252
  199    HG2  GLU  73           HG2      GLU  73  55.866  -2.568   5.088
  200    HG3  GLU  73           HG1      GLU  73  56.088  -4.292   5.383
  201    H    ASP  74           HN       ASP  74  58.806  -3.504   1.600
  202    HA   ASP  74           HA       ASP  74  61.523  -2.812   2.011
  203    HB2  ASP  74           HB2      ASP  74  60.129  -4.703   0.484
  204    HB3  ASP  74           HB1      ASP  74  60.976  -3.699  -0.689
  205    H    HIS  75           HN       HIS  75  59.050  -1.792  -0.291
  206    HA   HIS  75           HA       HIS  75  60.567  -0.089  -1.870
  207    HB2  HIS  75           HB2      HIS  75  58.312  -0.673  -2.500
  208    HB3  HIS  75           HB1      HIS  75  57.664   0.094  -1.053
  209    HD1  HIS  75           HD1      HIS  75  58.361   0.764  -4.559
  210    HD2  HIS  75           HD2      HIS  75  58.106   2.997  -1.058
  211    HE1  HIS  75           HE1      HIS  75  58.050   3.174  -5.267
  212    H    VAL  76           HN       VAL  76  58.607   0.740   0.975
  213    HA   VAL  76           HA       VAL  76  59.385   3.429   1.155
  214    HB   VAL  76           HB       VAL  76  58.622   1.560   3.411
  215   HG11  VAL  76          HG11      VAL  76  59.128   3.279   4.739
  216   HG12  VAL  76          HG12      VAL  76  57.760   4.128   4.020
  217   HG13  VAL  76          HG13      VAL  76  59.382   4.356   3.365
  218   HG21  VAL  76          HG21      VAL  76  56.450   1.813   2.881
  219   HG22  VAL  76          HG22      VAL  76  57.077   2.183   1.274
  220   HG23  VAL  76          HG23      VAL  76  56.660   3.490   2.382
  221    H    PHE  77           HN       PHE  77  60.797   0.462   2.363
  222    HA   PHE  77           HA       PHE  77  62.771   1.485   4.044
  223    HB2  PHE  77           HB2      PHE  77  62.129  -1.039   2.880
  224    HB3  PHE  77           HB1      PHE  77  63.844  -0.748   2.616
  225    HD1  PHE  77           HD2      PHE  77  61.224  -0.935   5.219
  226    HD2  PHE  77           HD1      PHE  77  65.392  -0.966   4.363
  227    HE1  PHE  77           HE2      PHE  77  61.690  -1.624   7.534
  228    HE2  PHE  77           HE1      PHE  77  65.867  -1.656   6.676
  229    HZ   PHE  77           HZ       PHE  77  64.014  -1.985   8.266
  230    H    CYS  78           HN       CYS  78  62.560   1.314   0.562
  231    HA   CYS  78           HA       CYS  78  65.284   1.866   0.037
  232    HB2  CYS  78           HB2      CYS  78  62.887   2.480  -1.703
  233    HB3  CYS  78           HB1      CYS  78  64.562   2.402  -2.240
  234    HG   CYS  78           HG       CYS  78  63.366   0.161  -2.827
  235    H    HIS  79           HN       HIS  79  62.415   3.910   0.265
  236    HA   HIS  79           HA       HIS  79  63.751   6.355  -0.209
  237    HB2  HIS  79           HB2      HIS  79  61.228   5.739   1.346
  238    HB3  HIS  79           HB1      HIS  79  61.793   7.372   1.011
  239    HD1  HIS  79           HD1      HIS  79  61.834   8.051  -1.606
  240    HD2  HIS  79           HD2      HIS  79  59.789   4.576  -0.617
  241    HE1  HIS  79           HE1      HIS  79  60.340   7.521  -3.578
  242    H    SER  80           HN       SER  80  63.756   4.157   2.401
  243    HA   SER  80           HA       SER  80  64.407   6.039   4.469
  244    HB2  SER  80           HB2      SER  80  65.004   3.095   4.586
  245    HB3  SER  80           HB1      SER  80  64.593   4.187   5.907
  246    HG   SER  80           HG       SER  80  62.722   3.186   5.546
  247    H    LEU  81           HN       LEU  81  66.141   4.560   1.950
  248    HA   LEU  81           HA       LEU  81  68.691   4.510   3.232
  249    HB2  LEU  81           HB2      LEU  81  68.038   4.456   0.294
  250    HB3  LEU  81           HB1      LEU  81  69.570   4.010   1.027
  251    HG   LEU  81           HG       LEU  81  67.118   2.596   1.924
  252   HD11  LEU  81          HD11      LEU  81  67.197   1.038   0.099
  253   HD12  LEU  81          HD12      LEU  81  68.592   1.857  -0.604
  254   HD13  LEU  81          HD13      LEU  81  67.022   2.660  -0.571
  255   HD21  LEU  81          HD21      LEU  81  68.995   0.725   1.694
  256   HD22  LEU  81          HD22      LEU  81  68.883   1.782   3.101
  257   HD23  LEU  81          HD23      LEU  81  70.046   2.135   1.822
  Start of MODEL   10
    1    H1   GLN  49           HT1      GLN  49  41.277   5.324   6.885
    2    H2   GLN  49           HT2      GLN  49  39.715   5.831   7.389
    3    H3   GLN  49           HT3      GLN  49  40.001   5.426   5.745
    4    HA   GLN  49           HA       GLN  49  39.877   3.670   8.088
    5    HB2  GLN  49           HB2      GLN  49  38.342   4.156   5.578
    6    HB3  GLN  49           HB1      GLN  49  38.403   2.511   6.196
    7    HG2  GLN  49           HG2      GLN  49  37.679   4.720   8.053
    8    HG3  GLN  49           HG1      GLN  49  36.484   4.147   6.890
    9   HE21  GLN  49          HE21      GLN  49  35.424   2.297   7.283
   10   HE22  GLN  49          HE22      GLN  49  35.711   1.267   8.640
   11    H    MET  50           HN       MET  50  39.780   1.283   6.964
   12    HA   MET  50           HA       MET  50  42.438   0.981   5.760
   13    HB2  MET  50           HB2      MET  50  41.427  -0.251   7.938
   14    HB3  MET  50           HB1      MET  50  40.956  -1.405   6.699
   15    HG2  MET  50           HG2      MET  50  42.984  -2.257   7.188
   16    HG3  MET  50           HG1      MET  50  43.490  -1.077   5.980
   17    HE1  MET  50           HE1      MET  50  46.424  -0.247   7.597
   18    HE2  MET  50           HE2      MET  50  45.631  -1.568   6.741
   19    HE3  MET  50           HE3      MET  50  46.073  -1.757   8.437
   20    H    GLN  51           HN       GLN  51  42.737  -0.645   4.090
   21    HA   GLN  51           HA       GLN  51  40.402  -1.552   2.641
   22    HB2  GLN  51           HB2      GLN  51  42.106   0.701   1.713
   23    HB3  GLN  51           HB1      GLN  51  41.613  -0.482   0.509
   24    HG2  GLN  51           HG2      GLN  51  39.237  -0.097   1.444
   25    HG3  GLN  51           HG1      GLN  51  39.926   1.373   2.133
   26   HE21  GLN  51          HE21      GLN  51  38.957   2.884   0.911
   27   HE22  GLN  51          HE22      GLN  51  39.121   3.012  -0.805
   28    HA   PRO  52           HA       PRO  52  43.905  -4.583   2.679
   29    HB2  PRO  52           HB2      PRO  52  41.545  -6.297   2.082
   30    HB3  PRO  52           HB1      PRO  52  42.869  -6.561   3.222
   31    HG2  PRO  52           HG2      PRO  52  40.459  -5.835   4.088
   32    HG3  PRO  52           HG1      PRO  52  41.930  -5.184   4.836
   33    HD2  PRO  52           HD2      PRO  52  40.040  -3.885   2.921
   34    HD3  PRO  52           HD1      PRO  52  40.916  -3.182   4.297
   35    H    LEU  53           HN       LEU  53  43.935  -6.626   1.000
   36    HA   LEU  53           HA       LEU  53  44.308  -7.255  -1.152
   37    HB2  LEU  53           HB2      LEU  53  41.718  -6.333  -1.081
   38    HB3  LEU  53           HB1      LEU  53  42.411  -5.407  -2.399
   39    HG   LEU  53           HG       LEU  53  43.277  -7.923  -3.005
   40   HD11  LEU  53          HD11      LEU  53  40.574  -8.164  -1.702
   41   HD12  LEU  53          HD12      LEU  53  42.056  -9.019  -1.271
   42   HD13  LEU  53          HD13      LEU  53  41.252  -9.363  -2.802
   43   HD21  LEU  53          HD21      LEU  53  40.861  -6.354  -3.833
   44   HD22  LEU  53          HD22      LEU  53  41.229  -7.919  -4.559
   45   HD23  LEU  53          HD23      LEU  53  42.382  -6.592  -4.694
   46    H    CYS  54           HN       CYS  54  45.625  -4.845   0.025
   47    HA   CYS  54           HA       CYS  54  47.258  -4.125  -2.094
   48    HB2  CYS  54           HB2      CYS  54  46.490  -1.717  -2.398
   49    HB3  CYS  54           HB1      CYS  54  45.495  -2.952  -3.162
   50    HG   CYS  54           HG       CYS  54  43.719  -2.601  -1.295
   51    H    PHE  55           HN       PHE  55  48.225  -1.729  -1.555
   52    HA   PHE  55           HA       PHE  55  48.348  -1.116   1.237
   53    HB2  PHE  55           HB2      PHE  55  50.492  -2.749  -0.051
   54    HB3  PHE  55           HB1      PHE  55  50.963  -1.527   1.124
   55    HD1  PHE  55           HD1      PHE  55  48.937  -1.638   3.149
   56    HD2  PHE  55           HD2      PHE  55  50.681  -4.819   0.924
   57    HE1  PHE  55           HE1      PHE  55  48.419  -3.196   4.980
   58    HE2  PHE  55           HE2      PHE  55  50.166  -6.384   2.752
   59    HZ   PHE  55           HZ       PHE  55  49.033  -5.574   4.783
   60    H    ASN  56           HN       ASN  56  48.532   1.023   1.281
   61    HA   ASN  56           HA       ASN  56  49.889   2.355  -0.957
   62    HB2  ASN  56           HB2      ASN  56  47.990   3.594   1.039
   63    HB3  ASN  56           HB1      ASN  56  48.577   4.311  -0.459
   64   HD21  ASN  56          HD21      ASN  56  45.901   4.161   0.077
   65   HD22  ASN  56          HD22      ASN  56  45.156   3.030  -0.995
   66    H    CYS  57           HN       CYS  57  51.640   3.598  -0.653
   67    HA   CYS  57           HA       CYS  57  52.995   3.476   1.861
   68    HB2  CYS  57           HB2      CYS  57  54.344   3.388  -0.107
   69    HB3  CYS  57           HB1      CYS  57  53.625   4.860  -0.746
   70    HA   PRO  58           HA       PRO  58  50.920   7.182   3.353
   71    HB2  PRO  58           HB2      PRO  58  51.969   7.134   5.847
   72    HB3  PRO  58           HB1      PRO  58  50.648   6.072   5.346
   73    HG2  PRO  58           HG2      PRO  58  53.577   5.483   5.554
   74    HG3  PRO  58           HG1      PRO  58  52.199   4.493   6.068
   75    HD2  PRO  58           HD2      PRO  58  53.532   4.050   3.753
   76    HD3  PRO  58           HD1      PRO  58  51.798   3.718   3.936
   77    H    ILE  59           HN       ILE  59  54.300   6.613   2.988
   78    HA   ILE  59           HA       ILE  59  55.178   9.131   4.022
   79    HB   ILE  59           HB       ILE  59  56.642   7.300   2.120
   80   HG12  ILE  59          HG12      ILE  59  57.511   7.225   4.885
   81   HG13  ILE  59          HG11      ILE  59  55.814   6.778   4.752
   82   HG21  ILE  59          HG21      ILE  59  57.427   9.675   3.758
   83   HG22  ILE  59          HG22      ILE  59  57.814   9.294   2.081
   84   HG23  ILE  59          HG23      ILE  59  58.612   8.423   3.389
   85   HD11  ILE  59          HD11      ILE  59  58.102   5.209   4.223
   86   HD12  ILE  59          HD12      ILE  59  57.239   5.437   2.703
   87   HD13  ILE  59          HD13      ILE  59  56.403   4.757   4.097
   88    H    CYS  60           HN       CYS  60  54.871   7.861   0.673
   89    HA   CYS  60           HA       CYS  60  54.800  10.677  -0.208
   90    HB2  CYS  60           HB2      CYS  60  55.726  10.031  -2.307
   91    HB3  CYS  60           HB1      CYS  60  56.711   9.284  -1.054
   92    H    ASP  61           HN       ASP  61  52.779   8.163   0.375
   93    HA   ASP  61           HA       ASP  61  50.558   7.897  -0.074
   94    HB2  ASP  61           HB2      ASP  61  50.842  10.495  -0.666
   95    HB3  ASP  61           HB1      ASP  61  50.497   9.886  -2.283
   96    H    LYS  62           HN       LYS  62  52.536   6.341  -1.290
   97    HA   LYS  62           HA       LYS  62  51.793   6.000  -4.068
   98    HB2  LYS  62           HB2      LYS  62  54.083   5.445  -2.575
   99    HB3  LYS  62           HB1      LYS  62  53.417   3.864  -2.958
  100    HG2  LYS  62           HG2      LYS  62  53.276   5.333  -5.333
  101    HG3  LYS  62           HG1      LYS  62  54.855   5.696  -4.634
  102    HD2  LYS  62           HD2      LYS  62  55.413   3.367  -4.525
  103    HD3  LYS  62           HD1      LYS  62  53.776   2.905  -4.997
  104    HE2  LYS  62           HE2      LYS  62  54.684   2.755  -7.053
  105    HE3  LYS  62           HE1      LYS  62  54.448   4.502  -7.066
  106    HZ1  LYS  62           HZ1      LYS  62  56.711   3.715  -7.732
  107    HZ2  LYS  62           HZ2      LYS  62  56.951   3.217  -6.134
  108    HZ3  LYS  62           HZ3      LYS  62  56.696   4.852  -6.479
  109    H    ILE  63           HN       ILE  63  51.459   3.596  -4.761
  110    HA   ILE  63           HA       ILE  63  49.644   2.255  -2.877
  111    HB   ILE  63           HB       ILE  63  49.068   2.575  -5.824
  112   HG12  ILE  63          HG12      ILE  63  47.097   3.739  -4.064
  113   HG13  ILE  63          HG11      ILE  63  48.679   4.445  -3.748
  114   HG21  ILE  63          HG21      ILE  63  47.750   1.108  -3.585
  115   HG22  ILE  63          HG22      ILE  63  48.033   0.604  -5.251
  116   HG23  ILE  63          HG23      ILE  63  46.759   1.769  -4.886
  117   HD11  ILE  63          HD11      ILE  63  48.527   4.436  -6.494
  118   HD12  ILE  63          HD12      ILE  63  48.234   5.814  -5.434
  119   HD13  ILE  63          HD13      ILE  63  46.883   4.825  -5.988
  120    H    PHE  64           HN       PHE  64  49.359  -0.013  -3.245
  121    HA   PHE  64           HA       PHE  64  51.035  -1.352  -5.179
  122    HB2  PHE  64           HB2      PHE  64  51.605  -1.490  -2.218
  123    HB3  PHE  64           HB1      PHE  64  52.155  -2.720  -3.350
  124    HD1  PHE  64           HD1      PHE  64  52.514   0.773  -2.298
  125    HD2  PHE  64           HD2      PHE  64  53.969  -2.305  -4.849
  126    HE1  PHE  64           HE1      PHE  64  54.515   2.122  -2.778
  127    HE2  PHE  64           HE2      PHE  64  55.972  -0.962  -5.334
  128    HZ   PHE  64           HZ       PHE  64  56.248   1.253  -4.297
  129    HA   PRO  65           HA       PRO  65  47.684  -4.222  -4.766
  130    HB2  PRO  65           HB2      PRO  65  48.781  -6.393  -5.969
  131    HB3  PRO  65           HB1      PRO  65  48.221  -4.979  -6.870
  132    HG2  PRO  65           HG2      PRO  65  50.996  -5.733  -6.062
  133    HG3  PRO  65           HG1      PRO  65  50.423  -5.046  -7.591
  134    HD2  PRO  65           HD2      PRO  65  51.627  -3.563  -5.651
  135    HD3  PRO  65           HD1      PRO  65  50.418  -2.900  -6.769
  136    H    ALA  66           HN       ALA  66  47.075  -6.128  -3.633
  137    HA   ALA  66           HA       ALA  66  48.193  -6.503  -1.156
  138    HB1  ALA  66           HB1      ALA  66  46.925  -8.902  -2.299
  139    HB2  ALA  66           HB2      ALA  66  45.975  -7.418  -2.374
  140    HB3  ALA  66           HB3      ALA  66  46.559  -8.015  -0.820
  141    H    THR  67           HN       THR  67  48.989  -8.172  -4.153
  142    HA   THR  67           HA       THR  67  50.713 -10.086  -2.879
  143    HB   THR  67           HB       THR  67  51.419 -10.326  -5.434
  144    HG1  THR  67           HG1      THR  67  50.091  -9.413  -6.799
  145   HG21  THR  67          HG21      THR  67  49.939 -11.845  -3.896
  146   HG22  THR  67          HG22      THR  67  49.971 -12.070  -5.645
  147   HG23  THR  67          HG23      THR  67  48.634 -11.199  -4.892
  148    H    GLU  68           HN       GLU  68  51.109  -6.895  -3.164
  149    HA   GLU  68           HA       GLU  68  53.927  -7.056  -3.907
  150    HB2  GLU  68           HB2      GLU  68  51.862  -5.132  -4.446
  151    HB3  GLU  68           HB1      GLU  68  53.189  -4.356  -3.596
  152    HG2  GLU  68           HG2      GLU  68  53.480  -4.187  -5.993
  153    HG3  GLU  68           HG1      GLU  68  54.755  -5.166  -5.271
  154    H    LYS  69           HN       LYS  69  53.005  -7.950  -1.352
  155    HA   LYS  69           HA       LYS  69  53.329  -6.003   0.657
  156    HB2  LYS  69           HB2      LYS  69  52.264  -8.153   1.100
  157    HB3  LYS  69           HB1      LYS  69  53.771  -8.993   0.766
  158    HG2  LYS  69           HG2      LYS  69  53.262  -8.771   3.176
  159    HG3  LYS  69           HG1      LYS  69  54.803  -8.050   2.709
  160    HD2  LYS  69           HD2      LYS  69  53.921  -5.858   2.836
  161    HD3  LYS  69           HD1      LYS  69  52.262  -6.452   2.928
  162    HE2  LYS  69           HE2      LYS  69  52.885  -5.768   5.119
  163    HE3  LYS  69           HE1      LYS  69  52.869  -7.532   5.108
  164    HZ1  LYS  69           HZ1      LYS  69  55.407  -7.053   4.471
  165    HZ2  LYS  69           HZ2      LYS  69  54.871  -7.256   6.063
  166    HZ3  LYS  69           HZ3      LYS  69  55.095  -5.700   5.438
  167    H    GLN  70           HN       GLN  70  55.611  -7.966  -1.126
  168    HA   GLN  70           HA       GLN  70  57.826  -7.344   0.601
  169    HB2  GLN  70           HB2      GLN  70  59.195  -8.561  -0.931
  170    HB3  GLN  70           HB1      GLN  70  57.682  -9.437  -0.764
  171    HG2  GLN  70           HG2      GLN  70  57.936  -7.507  -3.004
  172    HG3  GLN  70           HG1      GLN  70  58.814  -9.030  -3.106
  173   HE21  GLN  70          HE21      GLN  70  55.781  -7.477  -3.299
  174   HE22  GLN  70          HE22      GLN  70  54.832  -8.869  -3.683
  175    H    ILE  71           HN       ILE  71  56.465  -6.033  -2.343
  176    HA   ILE  71           HA       ILE  71  58.688  -4.255  -2.816
  177    HB   ILE  71           HB       ILE  71  55.932  -4.169  -4.050
  178   HG12  ILE  71          HG12      ILE  71  58.446  -5.606  -4.929
  179   HG13  ILE  71          HG11      ILE  71  56.909  -6.340  -4.486
  180   HG21  ILE  71          HG21      ILE  71  56.805  -2.736  -5.669
  181   HG22  ILE  71          HG22      ILE  71  58.473  -3.140  -5.264
  182   HG23  ILE  71          HG23      ILE  71  57.515  -2.147  -4.166
  183   HD11  ILE  71          HD11      ILE  71  56.434  -6.353  -6.648
  184   HD12  ILE  71          HD12      ILE  71  57.800  -5.305  -7.027
  185   HD13  ILE  71          HD13      ILE  71  56.258  -4.602  -6.537
  186    H    PHE  72           HN       PHE  72  55.583  -4.181  -1.233
  187    HA   PHE  72           HA       PHE  72  55.433  -1.351  -0.925
  188    HB2  PHE  72           HB2      PHE  72  53.407  -2.674  -0.779
  189    HB3  PHE  72           HB1      PHE  72  54.069  -3.611   0.557
  190    HD1  PHE  72           HD1      PHE  72  53.571   0.001  -0.260
  191    HD2  PHE  72           HD2      PHE  72  53.191  -3.121   2.608
  192    HE1  PHE  72           HE1      PHE  72  52.590   1.594   1.339
  193    HE2  PHE  72           HE2      PHE  72  52.207  -1.533   4.210
  194    HZ   PHE  72           HZ       PHE  72  51.905   0.827   3.576
  195    H    GLU  73           HN       GLU  73  56.722  -4.021   0.955
  196    HA   GLU  73           HA       GLU  73  57.357  -2.441   3.254
  197    HB2  GLU  73           HB2      GLU  73  57.595  -5.228   2.434
  198    HB3  GLU  73           HB1      GLU  73  59.026  -4.672   3.292
  199    HG2  GLU  73           HG2      GLU  73  56.437  -3.965   4.505
  200    HG3  GLU  73           HG1      GLU  73  56.855  -5.678   4.499
  201    H    ASP  74           HN       ASP  74  58.976  -3.472   0.324
  202    HA   ASP  74           HA       ASP  74  61.562  -2.560   1.073
  203    HB2  ASP  74           HB2      ASP  74  60.992  -4.237  -0.770
  204    HB3  ASP  74           HB1      ASP  74  60.559  -2.843  -1.757
  205    H    HIS  75           HN       HIS  75  58.934  -1.197  -0.852
  206    HA   HIS  75           HA       HIS  75  60.141   1.160  -1.678
  207    HB2  HIS  75           HB2      HIS  75  57.986   0.478  -2.552
  208    HB3  HIS  75           HB1      HIS  75  57.253   0.632  -0.959
  209    HD1  HIS  75           HD1      HIS  75  57.743   2.486  -4.034
  210    HD2  HIS  75           HD2      HIS  75  57.324   3.425  -0.002
  211    HE1  HIS  75           HE1      HIS  75  57.113   4.935  -3.928
  212    H    VAL  76           HN       VAL  76  58.117   0.642   1.192
  213    HA   VAL  76           HA       VAL  76  58.447   3.183   2.325
  214    HB   VAL  76           HB       VAL  76  58.045   0.548   3.760
  215   HG11  VAL  76          HG11      VAL  76  56.786   2.572   5.187
  216   HG12  VAL  76          HG12      VAL  76  58.339   3.263   4.721
  217   HG13  VAL  76          HG13      VAL  76  58.282   1.748   5.622
  218   HG21  VAL  76          HG21      VAL  76  55.676   2.113   3.628
  219   HG22  VAL  76          HG22      VAL  76  55.986   0.523   2.931
  220   HG23  VAL  76          HG23      VAL  76  56.335   1.977   1.998
  221    H    PHE  77           HN       PHE  77  60.373   0.263   2.461
  222    HA   PHE  77           HA       PHE  77  62.165   0.930   4.488
  223    HB2  PHE  77           HB2      PHE  77  61.906  -1.138   2.630
  224    HB3  PHE  77           HB1      PHE  77  63.474  -0.424   2.269
  225    HD1  PHE  77           HD2      PHE  77  61.479  -2.199   4.770
  226    HD2  PHE  77           HD1      PHE  77  65.292  -0.553   3.841
  227    HE1  PHE  77           HE2      PHE  77  62.467  -3.431   6.657
  228    HE2  PHE  77           HE1      PHE  77  66.287  -1.784   5.725
  229    HZ   PHE  77           HZ       PHE  77  64.873  -3.224   7.136
  230    H    CYS  78           HN       CYS  78  61.974   1.931   1.140
  231    HA   CYS  78           HA       CYS  78  64.527   3.117   0.987
  232    HB2  CYS  78           HB2      CYS  78  62.600   2.633  -0.845
  233    HB3  CYS  78           HB1      CYS  78  62.337   4.353  -0.578
  234    HG   CYS  78           HG       CYS  78  64.832   4.742  -1.346
  235    H    HIS  79           HN       HIS  79  61.341   4.437   1.756
  236    HA   HIS  79           HA       HIS  79  62.216   7.077   2.252
  237    HB2  HIS  79           HB2      HIS  79  59.864   5.521   3.346
  238    HB3  HIS  79           HB1      HIS  79  60.130   7.229   3.669
  239    HD1  HIS  79           HD1      HIS  79  60.015   8.832   1.488
  240    HD2  HIS  79           HD2      HIS  79  58.611   4.951   1.033
  241    HE1  HIS  79           HE1      HIS  79  58.608   8.829  -0.615
  242    H    SER  80           HN       SER  80  62.636   4.128   3.911
  243    HA   SER  80           HA       SER  80  62.971   5.215   6.544
  244    HB2  SER  80           HB2      SER  80  62.453   2.735   5.694
  245    HB3  SER  80           HB1      SER  80  64.208   2.610   5.822
  246    HG   SER  80           HG       SER  80  62.676   2.208   7.756
  247    H    LEU  81           HN       LEU  81  64.913   5.064   3.760
  248    HA   LEU  81           HA       LEU  81  67.444   4.980   5.085
  249    HB2  LEU  81           HB2      LEU  81  66.789   5.865   2.283
  250    HB3  LEU  81           HB1      LEU  81  68.382   5.453   2.897
  251    HG   LEU  81           HG       LEU  81  66.227   3.420   3.102
  252   HD11  LEU  81          HD11      LEU  81  66.553   2.654   0.856
  253   HD12  LEU  81          HD12      LEU  81  67.788   3.878   0.561
  254   HD13  LEU  81          HD13      LEU  81  66.106   4.358   0.786
  255   HD21  LEU  81          HD21      LEU  81  68.793   3.400   3.846
  256   HD22  LEU  81          HD22      LEU  81  68.978   2.824   2.189
  257   HD23  LEU  81          HD23      LEU  81  67.940   1.952   3.316
  Start of MODEL   11
    1    H1   GLN  49           HT1      GLN  49  38.380   2.400   4.344
    2    H2   GLN  49           HT2      GLN  49  37.374   3.715   4.795
    3    H3   GLN  49           HT3      GLN  49  37.710   2.463   5.919
    4    HA   GLN  49           HA       GLN  49  39.543   4.491   4.844
    5    HB2  GLN  49           HB2      GLN  49  39.745   5.087   7.213
    6    HB3  GLN  49           HB1      GLN  49  38.069   5.168   6.685
    7    HG2  GLN  49           HG2      GLN  49  38.617   2.553   7.696
    8    HG3  GLN  49           HG1      GLN  49  39.143   3.760   8.869
    9   HE21  GLN  49          HE21      GLN  49  36.479   3.944   6.566
   10   HE22  GLN  49          HE22      GLN  49  35.227   4.082   7.749
   11    H    MET  50           HN       MET  50  40.426   2.258   3.927
   12    HA   MET  50           HA       MET  50  42.851   1.761   5.241
   13    HB2  MET  50           HB2      MET  50  40.930   0.459   6.587
   14    HB3  MET  50           HB1      MET  50  41.270  -0.749   5.354
   15    HG2  MET  50           HG2      MET  50  43.628   0.407   6.672
   16    HG3  MET  50           HG1      MET  50  42.575  -0.564   7.701
   17    HE1  MET  50           HE1      MET  50  45.906  -2.270   6.507
   18    HE2  MET  50           HE2      MET  50  44.843  -2.929   7.752
   19    HE3  MET  50           HE3      MET  50  45.154  -1.195   7.687
   20    H    GLN  51           HN       GLN  51  40.380   0.462   3.093
   21    HA   GLN  51           HA       GLN  51  40.481  -0.457   1.015
   22    HB2  GLN  51           HB2      GLN  51  43.269   0.684   0.836
   23    HB3  GLN  51           HB1      GLN  51  42.172   0.318  -0.488
   24    HG2  GLN  51           HG2      GLN  51  41.182   2.302  -0.348
   25    HG3  GLN  51           HG1      GLN  51  41.026   2.194   1.405
   26   HE21  GLN  51          HE21      GLN  51  42.535   3.154   2.701
   27   HE22  GLN  51          HE22      GLN  51  43.779   4.195   2.104
   28    HA   PRO  52           HA       PRO  52  42.945  -3.988   2.916
   29    HB2  PRO  52           HB2      PRO  52  40.496  -5.378   1.965
   30    HB3  PRO  52           HB1      PRO  52  41.366  -5.546   3.494
   31    HG2  PRO  52           HG2      PRO  52  39.040  -4.249   3.383
   32    HG3  PRO  52           HG1      PRO  52  40.357  -3.679   4.427
   33    HD2  PRO  52           HD2      PRO  52  39.434  -2.620   1.789
   34    HD3  PRO  52           HD1      PRO  52  40.011  -1.740   3.219
   35    H    LEU  53           HN       LEU  53  43.474  -6.101   1.814
   36    HA   LEU  53           HA       LEU  53  44.372  -7.211   0.044
   37    HB2  LEU  53           HB2      LEU  53  41.771  -6.844  -0.568
   38    HB3  LEU  53           HB1      LEU  53  42.512  -5.998  -1.912
   39    HG   LEU  53           HG       LEU  53  43.563  -8.706  -1.327
   40   HD11  LEU  53          HD11      LEU  53  41.547  -9.417  -2.931
   41   HD12  LEU  53          HD12      LEU  53  40.738  -8.156  -1.999
   42   HD13  LEU  53          HD13      LEU  53  41.464  -9.536  -1.173
   43   HD21  LEU  53          HD21      LEU  53  43.537  -8.801  -3.803
   44   HD22  LEU  53          HD22      LEU  53  44.464  -7.442  -3.167
   45   HD23  LEU  53          HD23      LEU  53  42.851  -7.177  -3.826
   46    H    CYS  54           HN       CYS  54  45.393  -4.602   0.701
   47    HA   CYS  54           HA       CYS  54  46.997  -4.160  -1.622
   48    HB2  CYS  54           HB2      CYS  54  44.713  -2.355  -1.047
   49    HB3  CYS  54           HB1      CYS  54  46.239  -1.577  -1.451
   50    HG   CYS  54           HG       CYS  54  45.559  -1.942  -3.771
   51    H    PHE  55           HN       PHE  55  48.187  -1.837  -1.170
   52    HA   PHE  55           HA       PHE  55  48.734  -1.471   1.653
   53    HB2  PHE  55           HB2      PHE  55  50.670  -2.741  -0.248
   54    HB3  PHE  55           HB1      PHE  55  51.278  -1.702   1.037
   55    HD1  PHE  55           HD1      PHE  55  49.967  -2.257   3.390
   56    HD2  PHE  55           HD2      PHE  55  50.783  -4.974   0.217
   57    HE1  PHE  55           HE1      PHE  55  49.839  -4.137   4.972
   58    HE2  PHE  55           HE2      PHE  55  50.657  -6.859   1.794
   59    HZ   PHE  55           HZ       PHE  55  50.183  -6.441   4.175
   60    H    ASN  56           HN       ASN  56  48.875   0.646   1.974
   61    HA   ASN  56           HA       ASN  56  49.712   2.350  -0.273
   62    HB2  ASN  56           HB2      ASN  56  48.149   3.197   2.169
   63    HB3  ASN  56           HB1      ASN  56  48.402   4.117   0.688
   64   HD21  ASN  56          HD21      ASN  56  46.472   4.311  -0.206
   65   HD22  ASN  56          HD22      ASN  56  45.374   3.016  -0.525
   66    H    CYS  57           HN       CYS  57  51.420   3.671  -0.102
   67    HA   CYS  57           HA       CYS  57  53.179   3.375   2.151
   68    HB2  CYS  57           HB2      CYS  57  54.128   3.509  -0.078
   69    HB3  CYS  57           HB1      CYS  57  53.369   5.072  -0.345
   70    HA   PRO  58           HA       PRO  58  51.244   6.882   4.210
   71    HB2  PRO  58           HB2      PRO  58  52.602   6.680   6.535
   72    HB3  PRO  58           HB1      PRO  58  51.274   5.590   6.114
   73    HG2  PRO  58           HG2      PRO  58  54.229   5.146   5.902
   74    HG3  PRO  58           HG1      PRO  58  52.973   4.046   6.500
   75    HD2  PRO  58           HD2      PRO  58  54.019   3.873   3.998
   76    HD3  PRO  58           HD1      PRO  58  52.349   3.406   4.379
   77    H    ILE  59           HN       ILE  59  54.404   6.585   3.070
   78    HA   ILE  59           HA       ILE  59  55.319   9.087   4.241
   79    HB   ILE  59           HB       ILE  59  56.762   7.333   2.256
   80   HG12  ILE  59          HG12      ILE  59  57.856   7.197   4.897
   81   HG13  ILE  59          HG11      ILE  59  56.136   6.833   4.990
   82   HG21  ILE  59          HG21      ILE  59  57.504   9.731   3.872
   83   HG22  ILE  59          HG22      ILE  59  57.850   9.365   2.183
   84   HG23  ILE  59          HG23      ILE  59  58.734   8.536   3.465
   85   HD11  ILE  59          HD11      ILE  59  57.308   5.443   2.780
   86   HD12  ILE  59          HD12      ILE  59  56.482   4.801   4.199
   87   HD13  ILE  59          HD13      ILE  59  58.216   5.120   4.257
   88    H    CYS  60           HN       CYS  60  54.878   7.779   0.919
   89    HA   CYS  60           HA       CYS  60  54.572  10.580   0.048
   90    HB2  CYS  60           HB2      CYS  60  55.533  10.064  -2.050
   91    HB3  CYS  60           HB1      CYS  60  56.578   9.328  -0.842
   92    H    ASP  61           HN       ASP  61  52.974   7.617   0.384
   93    HA   ASP  61           HA       ASP  61  50.674   7.343   0.160
   94    HB2  ASP  61           HB2      ASP  61  50.623   9.836  -0.582
   95    HB3  ASP  61           HB1      ASP  61  50.562   9.171  -2.211
   96    H    LYS  62           HN       LYS  62  53.151   6.439  -1.664
   97    HA   LYS  62           HA       LYS  62  51.946   5.502  -4.048
   98    HB2  LYS  62           HB2      LYS  62  54.522   5.450  -2.934
   99    HB3  LYS  62           HB1      LYS  62  54.082   3.767  -3.163
  100    HG2  LYS  62           HG2      LYS  62  53.680   5.732  -5.375
  101    HG3  LYS  62           HG1      LYS  62  55.277   5.048  -5.066
  102    HD2  LYS  62           HD2      LYS  62  54.174   2.771  -5.167
  103    HD3  LYS  62           HD1      LYS  62  52.743   3.594  -5.791
  104    HE2  LYS  62           HE2      LYS  62  55.272   4.270  -7.132
  105    HE3  LYS  62           HE1      LYS  62  54.736   2.604  -7.335
  106    HZ1  LYS  62           HZ1      LYS  62  52.979   3.226  -8.575
  107    HZ2  LYS  62           HZ2      LYS  62  53.921   4.596  -8.884
  108    HZ3  LYS  62           HZ3      LYS  62  52.709   4.653  -7.706
  109    H    ILE  63           HN       ILE  63  50.523   3.908  -4.338
  110    HA   ILE  63           HA       ILE  63  50.189   1.947  -2.168
  111    HB   ILE  63           HB       ILE  63  48.143   2.652  -4.266
  112   HG12  ILE  63          HG12      ILE  63  48.168   3.620  -1.407
  113   HG13  ILE  63          HG11      ILE  63  48.828   4.572  -2.732
  114   HG21  ILE  63          HG21      ILE  63  48.076   1.051  -1.724
  115   HG22  ILE  63          HG22      ILE  63  47.668   0.533  -3.359
  116   HG23  ILE  63          HG23      ILE  63  46.614   1.658  -2.502
  117   HD11  ILE  63          HD11      ILE  63  46.002   3.562  -2.703
  118   HD12  ILE  63          HD12      ILE  63  46.712   4.792  -3.749
  119   HD13  ILE  63          HD13      ILE  63  46.479   5.122  -2.033
  120    H    PHE  64           HN       PHE  64  49.830  -0.227  -2.653
  121    HA   PHE  64           HA       PHE  64  50.213  -1.121  -5.401
  122    HB2  PHE  64           HB2      PHE  64  51.774  -2.656  -3.408
  123    HB3  PHE  64           HB1      PHE  64  52.151  -2.278  -5.083
  124    HD1  PHE  64           HD1      PHE  64  51.894  -0.608  -1.759
  125    HD2  PHE  64           HD2      PHE  64  53.864  -0.822  -5.524
  126    HE1  PHE  64           HE1      PHE  64  53.514   1.084  -1.003
  127    HE2  PHE  64           HE2      PHE  64  55.487   0.869  -4.777
  128    HZ   PHE  64           HZ       PHE  64  55.315   1.820  -2.512
  129    HA   PRO  65           HA       PRO  65  47.285  -4.235  -4.319
  130    HB2  PRO  65           HB2      PRO  65  48.254  -6.498  -5.483
  131    HB3  PRO  65           HB1      PRO  65  47.514  -5.180  -6.399
  132    HG2  PRO  65           HG2      PRO  65  50.410  -5.787  -5.957
  133    HG3  PRO  65           HG1      PRO  65  49.587  -5.281  -7.443
  134    HD2  PRO  65           HD2      PRO  65  50.998  -3.557  -5.916
  135    HD3  PRO  65           HD1      PRO  65  49.553  -3.059  -6.818
  136    H    ALA  66           HN       ALA  66  46.882  -6.131  -3.039
  137    HA   ALA  66           HA       ALA  66  48.384  -6.302  -0.710
  138    HB1  ALA  66           HB1      ALA  66  46.157  -7.801  -1.901
  139    HB2  ALA  66           HB2      ALA  66  46.358  -7.167  -0.267
  140    HB3  ALA  66           HB3      ALA  66  47.113  -8.696  -0.719
  141    H    THR  67           HN       THR  67  48.704  -8.046  -3.718
  142    HA   THR  67           HA       THR  67  50.475 -10.047  -2.662
  143    HB   THR  67           HB       THR  67  50.890 -10.263  -5.287
  144    HG1  THR  67           HG1      THR  67  49.118  -9.542  -6.435
  145   HG21  THR  67          HG21      THR  67  49.335 -11.617  -3.505
  146   HG22  THR  67          HG22      THR  67  49.569 -12.051  -5.198
  147   HG23  THR  67          HG23      THR  67  48.161 -11.105  -4.717
  148    H    GLU  68           HN       GLU  68  50.874  -6.815  -3.296
  149    HA   GLU  68           HA       GLU  68  53.634  -7.092  -4.193
  150    HB2  GLU  68           HB2      GLU  68  51.579  -5.035  -4.427
  151    HB3  GLU  68           HB1      GLU  68  53.135  -4.383  -3.934
  152    HG2  GLU  68           HG2      GLU  68  53.889  -6.018  -5.951
  153    HG3  GLU  68           HG1      GLU  68  52.288  -5.524  -6.499
  154    H    LYS  69           HN       LYS  69  52.757  -7.818  -1.484
  155    HA   LYS  69           HA       LYS  69  53.398  -5.895   0.429
  156    HB2  LYS  69           HB2      LYS  69  53.862  -7.832   1.927
  157    HB3  LYS  69           HB1      LYS  69  52.326  -7.947   1.079
  158    HG2  LYS  69           HG2      LYS  69  53.059 -10.060   0.744
  159    HG3  LYS  69           HG1      LYS  69  53.828  -9.297  -0.649
  160    HD2  LYS  69           HD2      LYS  69  55.657 -10.344   0.190
  161    HD3  LYS  69           HD1      LYS  69  55.740  -8.882   1.173
  162    HE2  LYS  69           HE2      LYS  69  54.848  -9.951   3.048
  163    HE3  LYS  69           HE1      LYS  69  54.204 -11.286   2.093
  164    HZ1  LYS  69           HZ1      LYS  69  56.377 -12.144   1.767
  165    HZ2  LYS  69           HZ2      LYS  69  56.224 -11.823   3.422
  166    HZ3  LYS  69           HZ3      LYS  69  57.105 -10.770   2.435
  167    H    GLN  70           HN       GLN  70  55.441  -7.936  -1.534
  168    HA   GLN  70           HA       GLN  70  57.841  -7.602  -0.081
  169    HB2  GLN  70           HB2      GLN  70  57.304  -9.296  -1.940
  170    HB3  GLN  70           HB1      GLN  70  57.709  -8.002  -3.059
  171    HG2  GLN  70           HG2      GLN  70  59.772  -8.840  -2.940
  172    HG3  GLN  70           HG1      GLN  70  59.863  -7.960  -1.416
  173   HE21  GLN  70          HE21      GLN  70  60.698  -9.123   0.147
  174   HE22  GLN  70          HE22      GLN  70  60.497 -10.823   0.380
  175    H    ILE  71           HN       ILE  71  56.558  -5.933  -2.925
  176    HA   ILE  71           HA       ILE  71  58.694  -4.067  -3.106
  177    HB   ILE  71           HB       ILE  71  55.894  -3.805  -4.211
  178   HG12  ILE  71          HG12      ILE  71  57.386  -4.502  -6.335
  179   HG13  ILE  71          HG11      ILE  71  58.280  -5.349  -5.077
  180   HG21  ILE  71          HG21      ILE  71  56.865  -2.248  -5.794
  181   HG22  ILE  71          HG22      ILE  71  58.460  -2.476  -5.076
  182   HG23  ILE  71          HG23      ILE  71  57.176  -1.703  -4.145
  183   HD11  ILE  71          HD11      ILE  71  55.863  -6.095  -6.369
  184   HD12  ILE  71          HD12      ILE  71  55.548  -5.880  -4.648
  185   HD13  ILE  71          HD13      ILE  71  56.811  -6.990  -5.181
  186    H    PHE  72           HN       PHE  72  55.654  -4.138  -1.386
  187    HA   PHE  72           HA       PHE  72  55.488  -1.386  -0.767
  188    HB2  PHE  72           HB2      PHE  72  53.543  -2.806  -0.537
  189    HB3  PHE  72           HB1      PHE  72  54.366  -3.808   0.652
  190    HD1  PHE  72           HD1      PHE  72  54.228  -0.103   0.408
  191    HD2  PHE  72           HD2      PHE  72  53.089  -3.585   2.575
  192    HE1  PHE  72           HE1      PHE  72  53.338   1.314   2.212
  193    HE2  PHE  72           HE2      PHE  72  52.196  -2.174   4.381
  194    HZ   PHE  72           HZ       PHE  72  52.320   0.279   4.201
  195    H    GLU  73           HN       GLU  73  57.083  -4.102   0.797
  196    HA   GLU  73           HA       GLU  73  57.816  -2.635   3.142
  197    HB2  GLU  73           HB2      GLU  73  58.872  -5.239   2.022
  198    HB3  GLU  73           HB1      GLU  73  59.278  -4.591   3.606
  199    HG2  GLU  73           HG2      GLU  73  56.442  -4.671   3.340
  200    HG3  GLU  73           HG1      GLU  73  57.107  -6.240   2.891
  201    H    ASP  74           HN       ASP  74  59.322  -3.465   0.082
  202    HA   ASP  74           HA       ASP  74  61.882  -2.437   0.743
  203    HB2  ASP  74           HB2      ASP  74  60.548  -3.484  -1.669
  204    HB3  ASP  74           HB1      ASP  74  61.821  -2.306  -1.977
  205    H    HIS  75           HN       HIS  75  59.044  -1.138  -0.883
  206    HA   HIS  75           HA       HIS  75  60.111   1.290  -1.740
  207    HB2  HIS  75           HB2      HIS  75  57.938   0.489  -2.502
  208    HB3  HIS  75           HB1      HIS  75  57.290   0.639  -0.871
  209    HD1  HIS  75           HD1      HIS  75  57.427   2.440  -3.976
  210    HD2  HIS  75           HD2      HIS  75  57.466   3.467   0.055
  211    HE1  HIS  75           HE1      HIS  75  56.797   4.890  -3.852
  212    H    VAL  76           HN       VAL  76  58.271   0.588   1.217
  213    HA   VAL  76           HA       VAL  76  58.562   3.122   2.392
  214    HB   VAL  76           HB       VAL  76  58.301   0.459   3.805
  215   HG11  VAL  76          HG11      VAL  76  56.988   2.363   5.299
  216   HG12  VAL  76          HG12      VAL  76  58.432   3.212   4.746
  217   HG13  VAL  76          HG13      VAL  76  58.586   1.700   5.641
  218   HG21  VAL  76          HG21      VAL  76  56.064   0.468   3.436
  219   HG22  VAL  76          HG22      VAL  76  56.549   1.365   1.998
  220   HG23  VAL  76          HG23      VAL  76  55.962   2.229   3.420
  221    H    PHE  77           HN       PHE  77  60.577   0.260   2.385
  222    HA   PHE  77           HA       PHE  77  62.413   0.927   4.371
  223    HB2  PHE  77           HB2      PHE  77  62.253  -1.266   3.106
  224    HB3  PHE  77           HB1      PHE  77  63.111  -0.476   1.787
  225    HD1  PHE  77           HD2      PHE  77  63.397  -1.281   5.403
  226    HD2  PHE  77           HD1      PHE  77  65.429  -0.446   1.758
  227    HE1  PHE  77           HE2      PHE  77  65.540  -1.839   6.475
  228    HE2  PHE  77           HE1      PHE  77  67.576  -1.003   2.823
  229    HZ   PHE  77           HZ       PHE  77  67.633  -1.700   5.185
  230    H    CYS  78           HN       CYS  78  62.140   1.969   1.031
  231    HA   CYS  78           HA       CYS  78  64.647   3.244   0.875
  232    HB2  CYS  78           HB2      CYS  78  62.214   3.138  -0.744
  233    HB3  CYS  78           HB1      CYS  78  63.019   4.701  -0.819
  234    HG   CYS  78           HG       CYS  78  64.377   3.612  -2.547
  235    H    HIS  79           HN       HIS  79  61.433   4.447   1.719
  236    HA   HIS  79           HA       HIS  79  62.233   7.110   2.223
  237    HB2  HIS  79           HB2      HIS  79  59.951   5.466   3.336
  238    HB3  HIS  79           HB1      HIS  79  60.170   7.175   3.692
  239    HD1  HIS  79           HD1      HIS  79  59.969   8.818   1.547
  240    HD2  HIS  79           HD2      HIS  79  58.671   4.909   1.036
  241    HE1  HIS  79           HE1      HIS  79  58.512   8.821  -0.521
  242    H    SER  80           HN       SER  80  62.771   4.159   3.842
  243    HA   SER  80           HA       SER  80  63.131   5.229   6.478
  244    HB2  SER  80           HB2      SER  80  62.619   2.766   5.699
  245    HB3  SER  80           HB1      SER  80  64.377   2.651   5.623
  246    HG   SER  80           HG       SER  80  64.353   3.450   7.838
  247    H    LEU  81           HN       LEU  81  65.029   5.145   3.654
  248    HA   LEU  81           HA       LEU  81  67.582   5.130   4.939
  249    HB2  LEU  81           HB2      LEU  81  66.865   6.008   2.150
  250    HB3  LEU  81           HB1      LEU  81  68.476   5.632   2.742
  251    HG   LEU  81           HG       LEU  81  66.373   3.547   2.969
  252   HD11  LEU  81          HD11      LEU  81  67.906   3.960   0.410
  253   HD12  LEU  81          HD12      LEU  81  66.261   4.554   0.642
  254   HD13  LEU  81          HD13      LEU  81  66.595   2.824   0.727
  255   HD21  LEU  81          HD21      LEU  81  68.153   2.072   2.967
  256   HD22  LEU  81          HD22      LEU  81  68.839   3.478   3.782
  257   HD23  LEU  81          HD23      LEU  81  69.206   3.178   2.083
  Start of MODEL   12
    1    H1   GLN  49           HT1      GLN  49  38.436  -5.917  10.399
    2    H2   GLN  49           HT2      GLN  49  39.308  -4.773   9.463
    3    H3   GLN  49           HT3      GLN  49  38.225  -5.863   8.698
    4    HA   GLN  49           HA       GLN  49  36.457  -4.843  10.128
    5    HB2  GLN  49           HB2      GLN  49  38.633  -2.747  10.306
    6    HB3  GLN  49           HB1      GLN  49  36.970  -2.534  10.835
    7    HG2  GLN  49           HG2      GLN  49  37.962  -4.863  12.089
    8    HG3  GLN  49           HG1      GLN  49  39.182  -3.603  12.265
    9   HE21  GLN  49          HE21      GLN  49  38.859  -3.352  14.450
   10   HE22  GLN  49          HE22      GLN  49  37.433  -2.636  15.112
   11    H    MET  50           HN       MET  50  38.826  -3.828   7.758
   12    HA   MET  50           HA       MET  50  36.955  -3.540   5.694
   13    HB2  MET  50           HB2      MET  50  37.477  -1.128   7.307
   14    HB3  MET  50           HB1      MET  50  37.608  -0.903   5.568
   15    HG2  MET  50           HG2      MET  50  35.283  -2.277   5.733
   16    HG3  MET  50           HG1      MET  50  35.248  -1.371   7.244
   17    HE1  MET  50           HE1      MET  50  35.267   1.742   7.033
   18    HE2  MET  50           HE2      MET  50  36.248   2.145   5.624
   19    HE3  MET  50           HE3      MET  50  36.816   0.939   6.779
   20    H    GLN  51           HN       GLN  51  39.957  -2.072   6.871
   21    HA   GLN  51           HA       GLN  51  42.041  -1.917   5.977
   22    HB2  GLN  51           HB2      GLN  51  40.964  -4.388   4.699
   23    HB3  GLN  51           HB1      GLN  51  42.469  -3.721   4.083
   24    HG2  GLN  51           HG2      GLN  51  42.960  -3.699   6.741
   25    HG3  GLN  51           HG1      GLN  51  41.905  -5.105   6.607
   26   HE21  GLN  51          HE21      GLN  51  45.022  -3.845   6.084
   27   HE22  GLN  51          HE22      GLN  51  45.727  -5.249   5.369
   28    HA   PRO  52           HA       PRO  52  41.573   0.711   2.456
   29    HB2  PRO  52           HB2      PRO  52  44.156   1.047   1.745
   30    HB3  PRO  52           HB1      PRO  52  43.477   1.768   3.210
   31    HG2  PRO  52           HG2      PRO  52  45.116  -0.720   2.908
   32    HG3  PRO  52           HG1      PRO  52  45.244   0.563   4.125
   33    HD2  PRO  52           HD2      PRO  52  43.997  -1.804   4.602
   34    HD3  PRO  52           HD1      PRO  52  43.516  -0.286   5.384
   35    H    LEU  53           HN       LEU  53  42.804  -2.460   2.228
   36    HA   LEU  53           HA       LEU  53  42.888  -3.966   0.527
   37    HB2  LEU  53           HB2      LEU  53  40.698  -2.656  -0.030
   38    HB3  LEU  53           HB1      LEU  53  41.648  -1.985  -1.343
   39    HG   LEU  53           HG       LEU  53  41.914  -4.856  -1.299
   40   HD11  LEU  53          HD11      LEU  53  39.564  -5.350  -1.972
   41   HD12  LEU  53          HD12      LEU  53  39.112  -3.754  -1.371
   42   HD13  LEU  53          HD13      LEU  53  39.764  -4.961  -0.263
   43   HD21  LEU  53          HD21      LEU  53  42.432  -3.813  -3.295
   44   HD22  LEU  53          HD22      LEU  53  41.035  -2.738  -3.216
   45   HD23  LEU  53          HD23      LEU  53  40.816  -4.441  -3.615
   46    H    CYS  54           HN       CYS  54  44.825  -1.559   0.828
   47    HA   CYS  54           HA       CYS  54  46.793  -2.364  -0.909
   48    HB2  CYS  54           HB2      CYS  54  46.723  -0.378  -2.551
   49    HB3  CYS  54           HB1      CYS  54  45.626  -1.722  -2.845
   50    HG   CYS  54           HG       CYS  54  43.664  -0.267  -2.355
   51    H    PHE  55           HN       PHE  55  48.308  -0.261  -1.448
   52    HA   PHE  55           HA       PHE  55  48.265   1.608   0.777
   53    HB2  PHE  55           HB2      PHE  55  50.160  -0.644   0.530
   54    HB3  PHE  55           HB1      PHE  55  50.892   0.919   0.880
   55    HD1  PHE  55           HD1      PHE  55  49.415   2.276   2.737
   56    HD2  PHE  55           HD2      PHE  55  49.757  -1.949   2.359
   57    HE1  PHE  55           HE1      PHE  55  48.829   2.019   5.113
   58    HE2  PHE  55           HE2      PHE  55  49.172  -2.214   4.734
   59    HZ   PHE  55           HZ       PHE  55  48.706  -0.228   6.115
   60    H    ASN  56           HN       ASN  56  49.746   3.390   0.496
   61    HA   ASN  56           HA       ASN  56  50.701   3.691  -2.274
   62    HB2  ASN  56           HB2      ASN  56  48.573   5.063  -1.226
   63    HB3  ASN  56           HB1      ASN  56  49.901   6.176  -0.917
   64   HD21  ASN  56          HD21      ASN  56  47.670   5.108  -3.157
   65   HD22  ASN  56          HD22      ASN  56  48.341   5.843  -4.570
   66    H    CYS  57           HN       CYS  57  52.741   4.359  -2.501
   67    HA   CYS  57           HA       CYS  57  54.403   4.653  -0.192
   68    HB2  CYS  57           HB2      CYS  57  55.252   3.553  -2.192
   69    HB3  CYS  57           HB1      CYS  57  54.999   5.014  -3.133
   70    HA   PRO  58           HA       PRO  58  53.771   9.084   0.018
   71    HB2  PRO  58           HB2      PRO  58  55.113   9.535   2.292
   72    HB3  PRO  58           HB1      PRO  58  53.554   8.701   2.284
   73    HG2  PRO  58           HG2      PRO  58  56.314   7.556   2.470
   74    HG3  PRO  58           HG1      PRO  58  54.856   7.116   3.378
   75    HD2  PRO  58           HD2      PRO  58  55.780   5.727   1.201
   76    HD3  PRO  58           HD1      PRO  58  54.081   5.757   1.707
   77    H    ILE  59           HN       ILE  59  56.430   7.596  -1.105
   78    HA   ILE  59           HA       ILE  59  58.083  10.027  -0.984
   79    HB   ILE  59           HB       ILE  59  59.068   7.266  -1.682
   80   HG12  ILE  59          HG12      ILE  59  60.150   7.790   0.752
   81   HG13  ILE  59          HG11      ILE  59  58.575   8.553   0.935
   82   HG21  ILE  59          HG21      ILE  59  61.245   8.469  -0.898
   83   HG22  ILE  59          HG22      ILE  59  60.334   9.935  -1.255
   84   HG23  ILE  59          HG23      ILE  59  60.622   8.746  -2.524
   85   HD11  ILE  59          HD11      ILE  59  58.963   5.711   0.043
   86   HD12  ILE  59          HD12      ILE  59  57.453   6.501   0.496
   87   HD13  ILE  59          HD13      ILE  59  58.690   6.198   1.716
   88    H    CYS  60           HN       CYS  60  57.290   7.310  -3.203
   89    HA   CYS  60           HA       CYS  60  57.701   9.222  -5.414
   90    HB2  CYS  60           HB2      CYS  60  58.378   7.449  -6.831
   91    HB3  CYS  60           HB1      CYS  60  59.236   7.218  -5.313
   92    H    ASP  61           HN       ASP  61  55.332   7.583  -3.731
   93    HA   ASP  61           HA       ASP  61  53.061   7.683  -4.013
   94    HB2  ASP  61           HB2      ASP  61  53.415   8.291  -6.943
   95    HB3  ASP  61           HB1      ASP  61  52.020   8.613  -5.921
   96    H    LYS  62           HN       LYS  62  55.108   5.483  -4.909
   97    HA   LYS  62           HA       LYS  62  53.757   3.889  -6.800
   98    HB2  LYS  62           HB2      LYS  62  56.038   3.578  -4.993
   99    HB3  LYS  62           HB1      LYS  62  55.149   2.085  -5.248
  100    HG2  LYS  62           HG2      LYS  62  55.864   3.715  -7.625
  101    HG3  LYS  62           HG1      LYS  62  57.134   2.790  -6.821
  102    HD2  LYS  62           HD2      LYS  62  55.694   0.766  -7.016
  103    HD3  LYS  62           HD1      LYS  62  54.552   1.723  -7.962
  104    HE2  LYS  62           HE2      LYS  62  57.330   1.863  -8.895
  105    HE3  LYS  62           HE1      LYS  62  56.602   0.260  -9.000
  106    HZ1  LYS  62           HZ1      LYS  62  55.201   2.648 -10.030
  107    HZ2  LYS  62           HZ2      LYS  62  54.948   1.023 -10.425
  108    HZ3  LYS  62           HZ3      LYS  62  56.333   1.821 -10.977
  109    H    ILE  63           HN       ILE  63  52.112   2.468  -6.613
  110    HA   ILE  63           HA       ILE  63  50.852   2.234  -3.978
  111    HB   ILE  63           HB       ILE  63  49.683   1.434  -6.639
  112   HG12  ILE  63          HG12      ILE  63  48.526   3.824  -5.530
  113   HG13  ILE  63          HG11      ILE  63  50.263   4.044  -5.719
  114   HG21  ILE  63          HG21      ILE  63  48.598   0.381  -4.767
  115   HG22  ILE  63          HG22      ILE  63  47.543   1.636  -5.416
  116   HG23  ILE  63          HG23      ILE  63  48.452   1.928  -3.934
  117   HD11  ILE  63          HD11      ILE  63  49.604   2.911  -8.096
  118   HD12  ILE  63          HD12      ILE  63  49.730   4.646  -7.800
  119   HD13  ILE  63          HD13      ILE  63  48.156   3.852  -7.734
  120    H    PHE  64           HN       PHE  64  50.044   0.208  -3.233
  121    HA   PHE  64           HA       PHE  64  51.097  -2.199  -4.502
  122    HB2  PHE  64           HB2      PHE  64  51.776  -1.272  -1.718
  123    HB3  PHE  64           HB1      PHE  64  51.855  -2.970  -2.172
  124    HD1  PHE  64           HD2      PHE  64  53.292   0.363  -2.748
  125    HD2  PHE  64           HD1      PHE  64  53.626  -3.808  -3.520
  126    HE1  PHE  64           HE2      PHE  64  55.569   0.710  -3.614
  127    HE2  PHE  64           HE1      PHE  64  55.904  -3.470  -4.385
  128    HZ   PHE  64           HZ       PHE  64  56.877  -1.208  -4.433
  129    HA   PRO  65           HA       PRO  65  47.193  -3.801  -3.181
  130    HB2  PRO  65           HB2      PRO  65  47.707  -6.459  -3.135
  131    HB3  PRO  65           HB1      PRO  65  47.558  -5.545  -4.640
  132    HG2  PRO  65           HG2      PRO  65  50.019  -6.431  -3.197
  133    HG3  PRO  65           HG1      PRO  65  49.679  -6.439  -4.935
  134    HD2  PRO  65           HD2      PRO  65  51.189  -4.524  -3.718
  135    HD3  PRO  65           HD1      PRO  65  50.228  -4.222  -5.180
  136    H    ALA  66           HN       ALA  66  46.118  -4.470  -1.347
  137    HA   ALA  66           HA       ALA  66  47.344  -4.095   1.120
  138    HB1  ALA  66           HB1      ALA  66  45.193  -5.475   1.876
  139    HB2  ALA  66           HB2      ALA  66  44.723  -5.127   0.212
  140    HB3  ALA  66           HB3      ALA  66  45.105  -3.805   1.315
  141    H    THR  67           HN       THR  67  47.214  -6.920  -0.861
  142    HA   THR  67           HA       THR  67  47.715  -8.795   1.255
  143    HB   THR  67           HB       THR  67  48.415 -10.150  -0.973
  144    HG1  THR  67           HG1      THR  67  48.068  -8.224  -2.242
  145   HG21  THR  67          HG21      THR  67  45.505  -9.725  -0.728
  146   HG22  THR  67          HG22      THR  67  46.356 -10.327   0.695
  147   HG23  THR  67          HG23      THR  67  46.435 -11.220  -0.824
  148    H    GLU  68           HN       GLU  68  49.624  -6.823  -0.876
  149    HA   GLU  68           HA       GLU  68  52.047  -8.249  -0.108
  150    HB2  GLU  68           HB2      GLU  68  51.603  -6.093  -2.173
  151    HB3  GLU  68           HB1      GLU  68  53.160  -6.827  -1.822
  152    HG2  GLU  68           HG2      GLU  68  50.770  -8.409  -2.719
  153    HG3  GLU  68           HG1      GLU  68  51.950  -7.719  -3.833
  154    H    LYS  69           HN       LYS  69  50.681  -6.703   1.864
  155    HA   LYS  69           HA       LYS  69  51.608  -4.131   2.273
  156    HB2  LYS  69           HB2      LYS  69  49.931  -5.205   3.705
  157    HB3  LYS  69           HB1      LYS  69  51.161  -6.283   4.351
  158    HG2  LYS  69           HG2      LYS  69  51.720  -3.399   4.590
  159    HG3  LYS  69           HG1      LYS  69  50.378  -4.017   5.555
  160    HD2  LYS  69           HD2      LYS  69  52.512  -5.861   5.802
  161    HD3  LYS  69           HD1      LYS  69  53.187  -4.246   6.026
  162    HE2  LYS  69           HE2      LYS  69  50.993  -4.005   7.534
  163    HE3  LYS  69           HE1      LYS  69  51.239  -5.745   7.678
  164    HZ1  LYS  69           HZ1      LYS  69  53.617  -5.151   8.274
  165    HZ2  LYS  69           HZ2      LYS  69  52.434  -4.812   9.435
  166    HZ3  LYS  69           HZ3      LYS  69  53.067  -3.565   8.483
  167    H    GLN  70           HN       GLN  70  53.284  -7.158   2.562
  168    HA   GLN  70           HA       GLN  70  55.474  -6.239   4.117
  169    HB2  GLN  70           HB2      GLN  70  56.618  -8.290   3.263
  170    HB3  GLN  70           HB1      GLN  70  55.051  -8.598   3.997
  171    HG2  GLN  70           HG2      GLN  70  54.027  -8.935   1.895
  172    HG3  GLN  70           HG1      GLN  70  55.427  -8.298   1.033
  173   HE21  GLN  70          HE21      GLN  70  57.488  -9.527   1.434
  174   HE22  GLN  70          HE22      GLN  70  57.374 -11.251   1.462
  175    H    ILE  71           HN       ILE  71  54.847  -6.438   0.659
  176    HA   ILE  71           HA       ILE  71  57.462  -5.634  -0.142
  177    HB   ILE  71           HB       ILE  71  54.913  -5.372  -1.739
  178   HG12  ILE  71          HG12      ILE  71  56.808  -7.721  -1.498
  179   HG13  ILE  71          HG11      ILE  71  55.145  -7.665  -0.921
  180   HG21  ILE  71          HG21      ILE  71  57.701  -5.821  -2.764
  181   HG22  ILE  71          HG22      ILE  71  57.043  -4.206  -2.497
  182   HG23  ILE  71          HG23      ILE  71  56.273  -5.292  -3.655
  183   HD11  ILE  71          HD11      ILE  71  55.200  -8.896  -2.958
  184   HD12  ILE  71          HD12      ILE  71  56.084  -7.606  -3.775
  185   HD13  ILE  71          HD13      ILE  71  54.412  -7.350  -3.275
  186    H    PHE  72           HN       PHE  72  54.509  -3.968   0.690
  187    HA   PHE  72           HA       PHE  72  55.249  -1.427  -0.356
  188    HB2  PHE  72           HB2      PHE  72  52.915  -1.908   0.057
  189    HB3  PHE  72           HB1      PHE  72  53.236  -2.216   1.760
  190    HD1  PHE  72           HD2      PHE  72  53.956   0.530  -0.667
  191    HD2  PHE  72           HD1      PHE  72  52.477  -0.581   3.164
  192    HE1  PHE  72           HE2      PHE  72  53.507   2.894  -0.161
  193    HE2  PHE  72           HE1      PHE  72  52.024   1.782   3.679
  194    HZ   PHE  72           HZ       PHE  72  52.540   3.524   2.015
  195    H    GLU  73           HN       GLU  73  55.709  -3.065   2.711
  196    HA   GLU  73           HA       GLU  73  56.684  -0.778   4.113
  197    HB2  GLU  73           HB2      GLU  73  56.288  -3.630   4.649
  198    HB3  GLU  73           HB1      GLU  73  57.734  -2.981   5.411
  199    HG2  GLU  73           HG2      GLU  73  55.938  -2.817   6.958
  200    HG3  GLU  73           HG1      GLU  73  56.336  -1.192   6.405
  201    H    ASP  74           HN       ASP  74  58.084  -3.418   2.285
  202    HA   ASP  74           HA       ASP  74  60.782  -2.794   2.887
  203    HB2  ASP  74           HB2      ASP  74  59.416  -4.840   1.509
  204    HB3  ASP  74           HB1      ASP  74  60.524  -4.122   0.344
  205    H    HIS  75           HN       HIS  75  58.635  -2.049   0.187
  206    HA   HIS  75           HA       HIS  75  60.431  -0.757  -1.488
  207    HB2  HIS  75           HB2      HIS  75  58.200  -1.279  -2.246
  208    HB3  HIS  75           HB1      HIS  75  57.493  -0.228  -1.023
  209    HD1  HIS  75           HD1      HIS  75  58.534  -0.231  -4.501
  210    HD2  HIS  75           HD2      HIS  75  58.214   2.593  -1.463
  211    HE1  HIS  75           HE1      HIS  75  58.514   2.035  -5.627
  212    H    VAL  76           HN       VAL  76  58.300   0.689   0.956
  213    HA   VAL  76           HA       VAL  76  59.279   3.309   0.766
  214    HB   VAL  76           HB       VAL  76  58.172   1.929   3.219
  215   HG11  VAL  76          HG11      VAL  76  58.194   3.892   4.293
  216   HG12  VAL  76          HG12      VAL  76  57.642   4.777   2.871
  217   HG13  VAL  76          HG13      VAL  76  59.354   4.404   3.068
  218   HG21  VAL  76          HG21      VAL  76  56.864   2.133   0.891
  219   HG22  VAL  76          HG22      VAL  76  56.482   3.713   1.576
  220   HG23  VAL  76          HG23      VAL  76  56.064   2.244   2.458
  221    H    PHE  77           HN       PHE  77  60.328   0.517   2.608
  222    HA   PHE  77           HA       PHE  77  62.206   1.704   4.291
  223    HB2  PHE  77           HB2      PHE  77  61.413  -0.900   3.702
  224    HB3  PHE  77           HB1      PHE  77  63.111  -0.863   3.242
  225    HD1  PHE  77           HD1      PHE  77  61.105   0.594   6.035
  226    HD2  PHE  77           HD2      PHE  77  64.471  -1.730   4.862
  227    HE1  PHE  77           HE1      PHE  77  61.743   0.335   8.397
  228    HE2  PHE  77           HE2      PHE  77  65.116  -1.993   7.222
  229    HZ   PHE  77           HZ       PHE  77  63.751  -0.961   8.992
  230    H    CYS  78           HN       CYS  78  62.326   0.914   0.891
  231    HA   CYS  78           HA       CYS  78  65.119   1.208   0.577
  232    HB2  CYS  78           HB2      CYS  78  62.950   0.547  -1.089
  233    HB3  CYS  78           HB1      CYS  78  63.677   1.981  -1.803
  234    HG   CYS  78           HG       CYS  78  65.174  -0.715  -1.415
  235    H    HIS  79           HN       HIS  79  62.408   3.426   0.132
  236    HA   HIS  79           HA       HIS  79  63.965   5.667  -0.599
  237    HB2  HIS  79           HB2      HIS  79  61.262   5.470   0.748
  238    HB3  HIS  79           HB1      HIS  79  61.980   6.994   0.237
  239    HD1  HIS  79           HD1      HIS  79  62.290   7.285  -2.419
  240    HD2  HIS  79           HD2      HIS  79  59.981   4.066  -1.175
  241    HE1  HIS  79           HE1      HIS  79  60.973   6.532  -4.444
  242    H    SER  80           HN       SER  80  63.549   3.965   2.326
  243    HA   SER  80           HA       SER  80  64.141   6.128   4.114
  244    HB2  SER  80           HB2      SER  80  63.008   3.710   4.482
  245    HB3  SER  80           HB1      SER  80  64.658   3.348   4.990
  246    HG   SER  80           HG       SER  80  64.509   5.053   6.479
  247    H    LEU  81           HN       LEU  81  65.997   4.133   2.081
  248    HA   LEU  81           HA       LEU  81  68.394   4.156   3.633
  249    HB2  LEU  81           HB2      LEU  81  68.038   3.621   0.692
  250    HB3  LEU  81           HB1      LEU  81  69.449   3.219   1.660
  251    HG   LEU  81           HG       LEU  81  66.816   2.138   2.504
  252   HD11  LEU  81          HD11      LEU  81  67.004   1.787   0.021
  253   HD12  LEU  81          HD12      LEU  81  66.903   0.310   0.977
  254   HD13  LEU  81          HD13      LEU  81  68.457   0.839   0.334
  255   HD21  LEU  81          HD21      LEU  81  68.595   0.145   2.752
  256   HD22  LEU  81          HD22      LEU  81  68.352   1.385   3.982
  257   HD23  LEU  81          HD23      LEU  81  69.687   1.527   2.839
  Start of MODEL   13
    1    H1   GLN  49           HT1      GLN  49  32.462  -0.635   2.233
    2    H2   GLN  49           HT2      GLN  49  33.438  -1.996   1.862
    3    H3   GLN  49           HT3      GLN  49  34.156  -0.450   2.056
    4    HA   GLN  49           HA       GLN  49  33.278  -0.469   4.361
    5    HB2  GLN  49           HB2      GLN  49  32.562  -3.183   3.363
    6    HB3  GLN  49           HB1      GLN  49  33.118  -3.052   5.026
    7    HG2  GLN  49           HG2      GLN  49  31.297  -1.812   5.683
    8    HG3  GLN  49           HG1      GLN  49  30.976  -1.224   4.053
    9   HE21  GLN  49          HE21      GLN  49  29.873  -3.205   6.404
   10   HE22  GLN  49          HE22      GLN  49  28.950  -4.314   5.454
   11    H    MET  50           HN       MET  50  35.626   0.042   3.316
   12    HA   MET  50           HA       MET  50  37.875  -0.115   3.615
   13    HB2  MET  50           HB2      MET  50  37.275  -2.009   5.884
   14    HB3  MET  50           HB1      MET  50  38.680  -0.971   5.691
   15    HG2  MET  50           HG2      MET  50  36.575   0.802   5.645
   16    HG3  MET  50           HG1      MET  50  36.074  -0.398   6.836
   17    HE1  MET  50           HE1      MET  50  36.776   0.733   9.585
   18    HE2  MET  50           HE2      MET  50  38.248  -0.234   9.676
   19    HE3  MET  50           HE3      MET  50  36.843  -0.849   8.807
   20    H    GLN  51           HN       GLN  51  38.548  -1.148   1.793
   21    HA   GLN  51           HA       GLN  51  38.597  -4.086   1.826
   22    HB2  GLN  51           HB2      GLN  51  37.729  -2.383  -0.137
   23    HB3  GLN  51           HB1      GLN  51  39.369  -2.735  -0.665
   24    HG2  GLN  51           HG2      GLN  51  38.328  -5.205   0.052
   25    HG3  GLN  51           HG1      GLN  51  37.000  -4.380  -0.763
   26   HE21  GLN  51          HE21      GLN  51  37.932  -3.071  -2.761
   27   HE22  GLN  51          HE22      GLN  51  38.880  -4.033  -3.837
   28    HA   PRO  52           HA       PRO  52  42.986  -3.091   2.714
   29    HB2  PRO  52           HB2      PRO  52  43.521  -5.491   3.884
   30    HB3  PRO  52           HB1      PRO  52  42.809  -4.127   4.753
   31    HG2  PRO  52           HG2      PRO  52  41.468  -6.528   3.574
   32    HG3  PRO  52           HG1      PRO  52  41.182  -5.741   5.137
   33    HD2  PRO  52           HD2      PRO  52  39.575  -5.342   3.003
   34    HD3  PRO  52           HD1      PRO  52  39.890  -4.072   4.202
   35    H    LEU  53           HN       LEU  53  43.040  -3.240   0.287
   36    HA   LEU  53           HA       LEU  53  44.442  -5.693  -0.494
   37    HB2  LEU  53           HB2      LEU  53  41.955  -4.700  -1.546
   38    HB3  LEU  53           HB1      LEU  53  43.174  -4.697  -2.806
   39    HG   LEU  53           HG       LEU  53  43.623  -7.143  -2.032
   40   HD11  LEU  53          HD11      LEU  53  42.387  -7.585  -0.186
   41   HD12  LEU  53          HD12      LEU  53  41.182  -8.011  -1.401
   42   HD13  LEU  53          HD13      LEU  53  41.124  -6.432  -0.619
   43   HD21  LEU  53          HD21      LEU  53  41.616  -7.867  -3.474
   44   HD22  LEU  53          HD22      LEU  53  42.849  -6.838  -4.203
   45   HD23  LEU  53          HD23      LEU  53  41.322  -6.138  -3.665
   46    H    CYS  54           HN       CYS  54  45.499  -3.176   0.380
   47    HA   CYS  54           HA       CYS  54  47.465  -2.754  -1.580
   48    HB2  CYS  54           HB2      CYS  54  46.840  -0.325  -2.085
   49    HB3  CYS  54           HB1      CYS  54  45.915  -1.573  -2.913
   50    HG   CYS  54           HG       CYS  54  44.817   0.417  -0.870
   51    H    PHE  55           HN       PHE  55  49.198  -1.692  -0.720
   52    HA   PHE  55           HA       PHE  55  48.855  -0.664   2.014
   53    HB2  PHE  55           HB2      PHE  55  51.371  -1.650   0.654
   54    HB3  PHE  55           HB1      PHE  55  51.233  -1.146   2.335
   55    HD1  PHE  55           HD2      PHE  55  48.750  -2.425   3.175
   56    HD2  PHE  55           HD1      PHE  55  51.884  -3.901   0.704
   57    HE1  PHE  55           HE2      PHE  55  48.166  -4.727   3.818
   58    HE2  PHE  55           HE1      PHE  55  51.306  -6.206   1.342
   59    HZ   PHE  55           HZ       PHE  55  49.446  -6.621   2.902
   60    H    ASN  56           HN       ASN  56  49.751   1.304   2.628
   61    HA   ASN  56           HA       ASN  56  50.676   3.009   0.412
   62    HB2  ASN  56           HB2      ASN  56  49.625   4.911   1.743
   63    HB3  ASN  56           HB1      ASN  56  48.513   3.800   0.948
   64   HD21  ASN  56          HD21      ASN  56  46.884   4.429   2.400
   65   HD22  ASN  56          HD22      ASN  56  46.848   3.833   4.022
   66    H    CYS  57           HN       CYS  57  52.541   4.049   0.675
   67    HA   CYS  57           HA       CYS  57  54.113   3.570   3.026
   68    HB2  CYS  57           HB2      CYS  57  55.336   3.555   1.008
   69    HB3  CYS  57           HB1      CYS  57  54.594   5.045   0.444
   70    HA   PRO  58           HA       PRO  58  52.445   7.274   4.981
   71    HB2  PRO  58           HB2      PRO  58  53.639   6.908   7.383
   72    HB3  PRO  58           HB1      PRO  58  52.199   6.013   6.885
   73    HG2  PRO  58           HG2      PRO  58  55.069   5.161   6.835
   74    HG3  PRO  58           HG1      PRO  58  53.640   4.248   7.356
   75    HD2  PRO  58           HD2      PRO  58  54.783   3.910   4.923
   76    HD3  PRO  58           HD1      PRO  58  53.040   3.713   5.197
   77    H    ILE  59           HN       ILE  59  55.713   6.488   4.279
   78    HA   ILE  59           HA       ILE  59  56.904   8.781   5.498
   79    HB   ILE  59           HB       ILE  59  58.036   7.124   3.246
   80   HG12  ILE  59          HG12      ILE  59  59.254   6.379   5.649
   81   HG13  ILE  59          HG11      ILE  59  57.540   6.468   6.037
   82   HG21  ILE  59          HG21      ILE  59  59.139   9.172   5.115
   83   HG22  ILE  59          HG22      ILE  59  59.401   8.974   3.382
   84   HG23  ILE  59          HG23      ILE  59  60.185   7.881   4.524
   85   HD11  ILE  59          HD11      ILE  59  56.991   4.772   4.581
   86   HD12  ILE  59          HD12      ILE  59  58.558   4.247   5.198
   87   HD13  ILE  59          HD13      ILE  59  58.442   4.996   3.606
   88    H    CYS  60           HN       CYS  60  56.185   7.972   2.070
   89    HA   CYS  60           HA       CYS  60  56.190  10.880   1.565
   90    HB2  CYS  60           HB2      CYS  60  57.105  10.550  -0.590
   91    HB3  CYS  60           HB1      CYS  60  58.069   9.561   0.500
   92    H    ASP  61           HN       ASP  61  54.232   8.202   1.728
   93    HA   ASP  61           HA       ASP  61  51.972   8.063   1.382
   94    HB2  ASP  61           HB2      ASP  61  52.087  10.394  -0.523
   95    HB3  ASP  61           HB1      ASP  61  50.701   9.780   0.370
   96    H    LYS  62           HN       LYS  62  54.004   6.712  -0.137
   97    HA   LYS  62           HA       LYS  62  52.940   6.554  -2.841
   98    HB2  LYS  62           HB2      LYS  62  55.432   6.402  -2.225
   99    HB3  LYS  62           HB1      LYS  62  55.073   4.769  -1.685
  100    HG2  LYS  62           HG2      LYS  62  55.787   4.396  -3.831
  101    HG3  LYS  62           HG1      LYS  62  54.042   4.513  -4.066
  102    HD2  LYS  62           HD2      LYS  62  54.497   7.021  -4.481
  103    HD3  LYS  62           HD1      LYS  62  56.175   6.521  -4.707
  104    HE2  LYS  62           HE2      LYS  62  55.751   5.662  -6.727
  105    HE3  LYS  62           HE1      LYS  62  54.291   4.849  -6.166
  106    HZ1  LYS  62           HZ1      LYS  62  52.989   6.527  -6.856
  107    HZ2  LYS  62           HZ2      LYS  62  54.285   6.883  -7.881
  108    HZ3  LYS  62           HZ3      LYS  62  54.099   7.732  -6.431
  109    H    ILE  63           HN       ILE  63  51.197   5.340  -3.212
  110    HA   ILE  63           HA       ILE  63  50.706   3.020  -1.478
  111    HB   ILE  63           HB       ILE  63  48.726   4.362  -3.310
  112   HG12  ILE  63          HG12      ILE  63  47.930   5.048  -0.808
  113   HG13  ILE  63          HG11      ILE  63  49.678   5.073  -0.603
  114   HG21  ILE  63          HG21      ILE  63  48.643   2.103  -1.419
  115   HG22  ILE  63          HG22      ILE  63  47.688   2.407  -2.869
  116   HG23  ILE  63          HG23      ILE  63  47.276   3.217  -1.358
  117   HD11  ILE  63          HD11      ILE  63  49.652   6.517  -2.753
  118   HD12  ILE  63          HD12      ILE  63  49.217   7.243  -1.205
  119   HD13  ILE  63          HD13      ILE  63  47.955   6.771  -2.343
  120    H    PHE  64           HN       PHE  64  50.178   1.025  -2.287
  121    HA   PHE  64           HA       PHE  64  50.250   0.582  -5.165
  122    HB2  PHE  64           HB2      PHE  64  51.835  -1.394  -3.647
  123    HB3  PHE  64           HB1      PHE  64  52.112  -0.719  -5.246
  124    HD1  PHE  64           HD2      PHE  64  52.739  -0.344  -1.671
  125    HD2  PHE  64           HD1      PHE  64  53.422   1.289  -5.539
  126    HE1  PHE  64           HE2      PHE  64  54.555   1.044  -0.760
  127    HE2  PHE  64           HE1      PHE  64  55.241   2.678  -4.637
  128    HZ   PHE  64           HZ       PHE  64  55.809   2.554  -2.243
  129    HA   PRO  65           HA       PRO  65  47.188  -2.459  -4.268
  130    HB2  PRO  65           HB2      PRO  65  47.765  -4.507  -5.952
  131    HB3  PRO  65           HB1      PRO  65  47.102  -2.967  -6.510
  132    HG2  PRO  65           HG2      PRO  65  49.935  -3.930  -6.537
  133    HG3  PRO  65           HG1      PRO  65  49.036  -3.062  -7.795
  134    HD2  PRO  65           HD2      PRO  65  50.786  -1.832  -6.128
  135    HD3  PRO  65           HD1      PRO  65  49.352  -1.016  -6.784
  136    H    ALA  66           HN       ALA  66  46.739  -4.417  -3.193
  137    HA   ALA  66           HA       ALA  66  48.559  -5.210  -1.247
  138    HB1  ALA  66           HB1      ALA  66  46.442  -5.749  -0.621
  139    HB2  ALA  66           HB2      ALA  66  46.947  -7.323  -1.236
  140    HB3  ALA  66           HB3      ALA  66  45.971  -6.255  -2.243
  141    H    THR  67           HN       THR  67  48.259  -6.239  -4.526
  142    HA   THR  67           HA       THR  67  49.628  -8.741  -4.184
  143    HB   THR  67           HB       THR  67  49.845  -8.259  -6.833
  144    HG1  THR  67           HG1      THR  67  47.443  -6.941  -6.160
  145   HG21  THR  67          HG21      THR  67  47.092  -8.942  -6.194
  146   HG22  THR  67          HG22      THR  67  48.278  -9.884  -5.290
  147   HG23  THR  67          HG23      THR  67  48.325  -9.865  -7.053
  148    H    GLU  68           HN       GLU  68  50.554  -5.470  -4.461
  149    HA   GLU  68           HA       GLU  68  53.232  -6.152  -5.384
  150    HB2  GLU  68           HB2      GLU  68  51.633  -3.653  -5.243
  151    HB3  GLU  68           HB1      GLU  68  53.377  -3.499  -5.083
  152    HG2  GLU  68           HG2      GLU  68  53.726  -4.518  -7.221
  153    HG3  GLU  68           HG1      GLU  68  52.012  -4.904  -7.366
  154    H    LYS  69           HN       LYS  69  52.323  -6.986  -2.768
  155    HA   LYS  69           HA       LYS  69  53.122  -5.383  -0.659
  156    HB2  LYS  69           HB2      LYS  69  53.533  -7.524   0.568
  157    HB3  LYS  69           HB1      LYS  69  51.970  -7.442  -0.232
  158    HG2  LYS  69           HG2      LYS  69  52.514  -9.494  -0.948
  159    HG3  LYS  69           HG1      LYS  69  53.441  -8.613  -2.164
  160    HD2  LYS  69           HD2      LYS  69  54.893 -10.258  -1.253
  161    HD3  LYS  69           HD1      LYS  69  55.398  -8.705  -0.583
  162    HE2  LYS  69           HE2      LYS  69  53.478  -9.685   1.194
  163    HE3  LYS  69           HE1      LYS  69  54.469 -11.080   0.770
  164    HZ1  LYS  69           HZ1      LYS  69  55.200  -8.649   2.212
  165    HZ2  LYS  69           HZ2      LYS  69  56.377  -9.327   1.204
  166    HZ3  LYS  69           HZ3      LYS  69  55.705 -10.245   2.457
  167    H    GLN  70           HN       GLN  70  55.050  -7.115  -2.969
  168    HA   GLN  70           HA       GLN  70  57.485  -7.119  -1.502
  169    HB2  GLN  70           HB2      GLN  70  56.997  -8.593  -3.460
  170    HB3  GLN  70           HB1      GLN  70  57.119  -7.182  -4.502
  171    HG2  GLN  70           HG2      GLN  70  59.225  -7.967  -4.732
  172    HG3  GLN  70           HG1      GLN  70  59.469  -6.965  -3.302
  173   HE21  GLN  70          HE21      GLN  70  61.335  -8.492  -3.150
  174   HE22  GLN  70          HE22      GLN  70  61.090  -9.958  -2.271
  175    H    ILE  71           HN       ILE  71  55.921  -4.841  -3.654
  176    HA   ILE  71           HA       ILE  71  58.205  -3.108  -3.869
  177    HB   ILE  71           HB       ILE  71  55.356  -2.333  -4.459
  178   HG12  ILE  71          HG12      ILE  71  55.729  -4.439  -5.601
  179   HG13  ILE  71          HG11      ILE  71  55.772  -3.131  -6.779
  180   HG21  ILE  71          HG21      ILE  71  56.493  -0.419  -4.814
  181   HG22  ILE  71          HG22      ILE  71  56.872  -1.182  -6.359
  182   HG23  ILE  71          HG23      ILE  71  58.035  -1.247  -5.034
  183   HD11  ILE  71          HD11      ILE  71  57.842  -5.029  -6.003
  184   HD12  ILE  71          HD12      ILE  71  58.399  -3.358  -6.084
  185   HD13  ILE  71          HD13      ILE  71  57.643  -4.105  -7.491
  186    H    PHE  72           HN       PHE  72  55.368  -3.351  -1.833
  187    HA   PHE  72           HA       PHE  72  55.577  -0.760  -0.673
  188    HB2  PHE  72           HB2      PHE  72  53.458  -1.874  -0.570
  189    HB3  PHE  72           HB1      PHE  72  54.168  -3.281   0.214
  190    HD1  PHE  72           HD2      PHE  72  53.463   0.330   0.707
  191    HD2  PHE  72           HD1      PHE  72  54.234  -3.435   2.536
  192    HE1  PHE  72           HE2      PHE  72  52.931   1.293   2.908
  193    HE2  PHE  72           HE1      PHE  72  53.702  -2.479   4.739
  194    HZ   PHE  72           HZ       PHE  72  53.051  -0.111   4.928
  195    H    GLU  73           HN       GLU  73  56.899  -3.918   0.108
  196    HA   GLU  73           HA       GLU  73  57.930  -3.114   2.658
  197    HB2  GLU  73           HB2      GLU  73  58.133  -5.546   0.938
  198    HB3  GLU  73           HB1      GLU  73  59.333  -5.314   2.202
  199    HG2  GLU  73           HG2      GLU  73  56.416  -5.126   2.825
  200    HG3  GLU  73           HG1      GLU  73  57.214  -6.694   2.704
  201    H    ASP  74           HN       ASP  74  59.186  -3.527  -0.602
  202    HA   ASP  74           HA       ASP  74  61.872  -2.913   0.070
  203    HB2  ASP  74           HB2      ASP  74  60.684  -3.985  -2.124
  204    HB3  ASP  74           HB1      ASP  74  60.985  -2.345  -2.688
  205    H    HIS  75           HN       HIS  75  59.161  -1.050  -1.193
  206    HA   HIS  75           HA       HIS  75  60.491   1.354  -1.677
  207    HB2  HIS  75           HB2      HIS  75  58.225   0.935  -2.474
  208    HB3  HIS  75           HB1      HIS  75  57.632   0.889  -0.816
  209    HD1  HIS  75           HD1      HIS  75  57.921   3.142  -3.598
  210    HD2  HIS  75           HD2      HIS  75  58.151   3.494   0.542
  211    HE1  HIS  75           HE1      HIS  75  57.571   5.592  -3.064
  212    H    VAL  76           HN       VAL  76  58.631   0.378   1.184
  213    HA   VAL  76           HA       VAL  76  59.244   2.627   2.754
  214    HB   VAL  76           HB       VAL  76  58.671  -0.181   3.724
  215   HG11  VAL  76          HG11      VAL  76  59.588   1.637   5.323
  216   HG12  VAL  76          HG12      VAL  76  58.169   0.711   5.808
  217   HG13  VAL  76          HG13      VAL  76  57.980   2.346   5.175
  218   HG21  VAL  76          HG21      VAL  76  56.525   1.837   3.684
  219   HG22  VAL  76          HG22      VAL  76  56.467   0.108   3.342
  220   HG23  VAL  76          HG23      VAL  76  57.039   1.232   2.109
  221    H    PHE  77           HN       PHE  77  60.885  -0.412   2.195
  222    HA   PHE  77           HA       PHE  77  62.800  -0.318   4.224
  223    HB2  PHE  77           HB2      PHE  77  62.403  -2.270   2.715
  224    HB3  PHE  77           HB1      PHE  77  63.203  -1.386   1.420
  225    HD1  PHE  77           HD2      PHE  77  65.608  -0.976   1.501
  226    HD2  PHE  77           HD1      PHE  77  63.643  -3.262   4.504
  227    HE1  PHE  77           HE2      PHE  77  67.782  -1.847   2.255
  228    HE2  PHE  77           HE1      PHE  77  65.813  -4.137   5.264
  229    HZ   PHE  77           HZ       PHE  77  67.887  -3.430   4.138
  230    H    CYS  78           HN       CYS  78  62.619   1.299   1.122
  231    HA   CYS  78           HA       CYS  78  65.271   2.252   1.081
  232    HB2  CYS  78           HB2      CYS  78  62.771   3.346  -0.217
  233    HB3  CYS  78           HB1      CYS  78  64.389   3.961  -0.536
  234    HG   CYS  78           HG       CYS  78  64.254   2.303  -2.364
  235    H    HIS  79           HN       HIS  79  62.253   3.701   2.211
  236    HA   HIS  79           HA       HIS  79  63.424   6.107   3.133
  237    HB2  HIS  79           HB2      HIS  79  60.920   4.655   4.013
  238    HB3  HIS  79           HB1      HIS  79  61.377   6.253   4.592
  239    HD1  HIS  79           HD1      HIS  79  61.455   8.171   2.670
  240    HD2  HIS  79           HD2      HIS  79  59.568   4.605   1.689
  241    HE1  HIS  79           HE1      HIS  79  60.031   8.658   0.636
  242    H    SER  80           HN       SER  80  63.545   2.882   4.214
  243    HA   SER  80           HA       SER  80  64.016   3.426   6.991
  244    HB2  SER  80           HB2      SER  80  63.597   1.117   5.365
  245    HB3  SER  80           HB1      SER  80  65.088   0.892   6.277
  246    HG   SER  80           HG       SER  80  62.481   0.989   7.151
  247    H    LEU  81           HN       LEU  81  65.892   3.630   4.176
  248    HA   LEU  81           HA       LEU  81  68.420   3.033   5.363
  249    HB2  LEU  81           HB2      LEU  81  67.806   4.512   2.814
  250    HB3  LEU  81           HB1      LEU  81  69.363   3.842   3.274
  251    HG   LEU  81           HG       LEU  81  67.021   2.018   3.164
  252   HD11  LEU  81          HD11      LEU  81  67.258   1.674   0.792
  253   HD12  LEU  81          HD12      LEU  81  68.563   2.857   0.707
  254   HD13  LEU  81          HD13      LEU  81  66.920   3.379   1.084
  255   HD21  LEU  81          HD21      LEU  81  68.898   0.889   3.864
  256   HD22  LEU  81          HD22      LEU  81  69.986   1.852   2.863
  257   HD23  LEU  81          HD23      LEU  81  68.969   0.615   2.123
  Start of MODEL   14
    1    H1   GLN  49           HT1      GLN  49  44.843   3.440   7.745
    2    H2   GLN  49           HT2      GLN  49  44.980   4.717   6.607
    3    H3   GLN  49           HT3      GLN  49  46.345   3.744   6.979
    4    HA   GLN  49           HA       GLN  49  45.200   3.290   4.838
    5    HB2  GLN  49           HB2      GLN  49  46.617   1.752   6.554
    6    HB3  GLN  49           HB1      GLN  49  45.131   0.816   6.465
    7    HG2  GLN  49           HG2      GLN  49  46.090   1.670   3.857
    8    HG3  GLN  49           HG1      GLN  49  47.250   0.667   4.727
    9   HE21  GLN  49          HE21      GLN  49  47.104  -1.304   3.927
   10   HE22  GLN  49          HE22      GLN  49  45.643  -2.189   3.667
   11    H    MET  50           HN       MET  50  43.558   1.723   3.971
   12    HA   MET  50           HA       MET  50  41.223   1.207   5.557
   13    HB2  MET  50           HB2      MET  50  41.192   3.701   4.732
   14    HB3  MET  50           HB1      MET  50  40.704   2.978   3.206
   15    HG2  MET  50           HG2      MET  50  38.653   2.452   3.953
   16    HG3  MET  50           HG1      MET  50  39.228   2.049   5.570
   17    HE1  MET  50           HE1      MET  50  36.748   3.460   6.441
   18    HE2  MET  50           HE2      MET  50  36.599   3.434   4.684
   19    HE3  MET  50           HE3      MET  50  36.382   4.946   5.564
   20    H    GLN  51           HN       GLN  51  41.880   1.804   2.120
   21    HA   GLN  51           HA       GLN  51  40.335  -0.180   1.030
   22    HB2  GLN  51           HB2      GLN  51  42.804   1.224   0.154
   23    HB3  GLN  51           HB1      GLN  51  42.322  -0.203  -0.752
   24    HG2  GLN  51           HG2      GLN  51  40.595   0.838  -1.716
   25    HG3  GLN  51           HG1      GLN  51  40.148   1.684  -0.235
   26   HE21  GLN  51          HE21      GLN  51  39.768   3.529  -1.571
   27   HE22  GLN  51          HE22      GLN  51  41.087   4.520  -2.083
   28    HA   PRO  52           HA       PRO  52  42.577  -3.705   2.829
   29    HB2  PRO  52           HB2      PRO  52  40.238  -5.219   1.913
   30    HB3  PRO  52           HB1      PRO  52  40.868  -5.018   3.549
   31    HG2  PRO  52           HG2      PRO  52  38.560  -3.876   2.750
   32    HG3  PRO  52           HG1      PRO  52  39.637  -3.109   3.932
   33    HD2  PRO  52           HD2      PRO  52  39.315  -2.538   1.007
   34    HD3  PRO  52           HD1      PRO  52  39.498  -1.404   2.362
   35    H    LEU  53           HN       LEU  53  43.080  -5.918   1.939
   36    HA   LEU  53           HA       LEU  53  44.059  -7.185   0.326
   37    HB2  LEU  53           HB2      LEU  53  41.452  -6.589  -0.534
   38    HB3  LEU  53           HB1      LEU  53  42.473  -6.380  -1.944
   39    HG   LEU  53           HG       LEU  53  43.371  -8.682  -1.560
   40   HD11  LEU  53          HD11      LEU  53  41.552 -10.009  -0.113
   41   HD12  LEU  53          HD12      LEU  53  41.547  -8.472   0.752
   42   HD13  LEU  53          HD13      LEU  53  43.050  -9.375   0.567
   43   HD21  LEU  53          HD21      LEU  53  41.212  -7.919  -2.932
   44   HD22  LEU  53          HD22      LEU  53  40.440  -9.020  -1.790
   45   HD23  LEU  53          HD23      LEU  53  41.736  -9.601  -2.836
   46    H    CYS  54           HN       CYS  54  45.079  -4.524   0.741
   47    HA   CYS  54           HA       CYS  54  46.761  -4.337  -1.559
   48    HB2  CYS  54           HB2      CYS  54  44.462  -2.487  -1.272
   49    HB3  CYS  54           HB1      CYS  54  46.002  -1.747  -1.693
   50    HG   CYS  54           HG       CYS  54  45.442  -4.028  -3.557
   51    H    PHE  55           HN       PHE  55  47.923  -1.960  -1.321
   52    HA   PHE  55           HA       PHE  55  48.476  -1.456   1.504
   53    HB2  PHE  55           HB2      PHE  55  50.484  -2.374  -0.542
   54    HB3  PHE  55           HB1      PHE  55  50.976  -1.426   0.857
   55    HD1  PHE  55           HD1      PHE  55  50.159  -2.342   3.169
   56    HD2  PHE  55           HD2      PHE  55  50.447  -4.668  -0.384
   57    HE1  PHE  55           HE1      PHE  55  50.258  -4.393   4.524
   58    HE2  PHE  55           HE2      PHE  55  50.546  -6.723   0.965
   59    HZ   PHE  55           HZ       PHE  55  50.452  -6.588   3.422
   60    H    ASN  56           HN       ASN  56  49.409   0.601   1.917
   61    HA   ASN  56           HA       ASN  56  49.592   2.412  -0.382
   62    HB2  ASN  56           HB2      ASN  56  47.906   2.860   2.085
   63    HB3  ASN  56           HB1      ASN  56  48.331   4.139   0.952
   64   HD21  ASN  56          HD21      ASN  56  45.715   3.456   1.522
   65   HD22  ASN  56          HD22      ASN  56  44.991   2.770   0.112
   66    H    CYS  57           HN       CYS  57  51.422   3.528  -0.325
   67    HA   CYS  57           HA       CYS  57  53.100   3.500   2.004
   68    HB2  CYS  57           HB2      CYS  57  54.176   3.346  -0.133
   69    HB3  CYS  57           HB1      CYS  57  53.383   4.808  -0.703
   70    HA   PRO  58           HA       PRO  58  51.142   7.223   3.610
   71    HB2  PRO  58           HB2      PRO  58  53.074   7.008   5.794
   72    HB3  PRO  58           HB1      PRO  58  51.315   6.875   5.840
   73    HG2  PRO  58           HG2      PRO  58  52.964   4.759   6.224
   74    HG3  PRO  58           HG1      PRO  58  51.347   4.607   5.513
   75    HD2  PRO  58           HD2      PRO  58  54.020   4.616   4.175
   76    HD3  PRO  58           HD1      PRO  58  52.577   3.643   3.816
   77    H    ILE  59           HN       ILE  59  54.455   6.749   2.779
   78    HA   ILE  59           HA       ILE  59  55.325   9.386   3.502
   79    HB   ILE  59           HB       ILE  59  56.674   7.442   1.634
   80   HG12  ILE  59          HG12      ILE  59  58.018   7.379   4.051
   81   HG13  ILE  59          HG11      ILE  59  56.328   7.433   4.539
   82   HG21  ILE  59          HG21      ILE  59  58.695   8.764   2.668
   83   HG22  ILE  59          HG22      ILE  59  57.470  10.005   2.927
   84   HG23  ILE  59          HG23      ILE  59  57.795   9.415   1.298
   85   HD11  ILE  59          HD11      ILE  59  55.836   5.437   3.384
   86   HD12  ILE  59          HD12      ILE  59  57.333   5.149   4.270
   87   HD13  ILE  59          HD13      ILE  59  57.381   5.464   2.536
   88    H    CYS  60           HN       CYS  60  54.751   7.788   0.330
   89    HA   CYS  60           HA       CYS  60  54.447  10.502  -0.786
   90    HB2  CYS  60           HB2      CYS  60  55.262   9.734  -2.882
   91    HB3  CYS  60           HB1      CYS  60  56.373   9.136  -1.657
   92    H    ASP  61           HN       ASP  61  52.648   7.942   0.176
   93    HA   ASP  61           HA       ASP  61  50.412   7.537  -0.042
   94    HB2  ASP  61           HB2      ASP  61  50.282   9.395  -2.408
   95    HB3  ASP  61           HB1      ASP  61  48.991   8.938  -1.302
   96    H    LYS  62           HN       LYS  62  52.668   6.287  -1.615
   97    HA   LYS  62           HA       LYS  62  51.701   5.503  -4.136
   98    HB2  LYS  62           HB2      LYS  62  53.994   5.006  -2.586
   99    HB3  LYS  62           HB1      LYS  62  53.299   3.428  -2.924
  100    HG2  LYS  62           HG2      LYS  62  53.225   4.902  -5.331
  101    HG3  LYS  62           HG1      LYS  62  54.829   5.115  -4.631
  102    HD2  LYS  62           HD2      LYS  62  54.927   2.616  -4.353
  103    HD3  LYS  62           HD1      LYS  62  53.441   2.525  -5.300
  104    HE2  LYS  62           HE2      LYS  62  54.572   3.652  -7.163
  105    HE3  LYS  62           HE1      LYS  62  56.057   3.715  -6.216
  106    HZ1  LYS  62           HZ1      LYS  62  55.461   1.757  -7.925
  107    HZ2  LYS  62           HZ2      LYS  62  54.873   1.085  -6.488
  108    HZ3  LYS  62           HZ3      LYS  62  56.492   1.561  -6.597
  109    H    ILE  63           HN       ILE  63  51.241   3.092  -4.634
  110    HA   ILE  63           HA       ILE  63  49.705   1.767  -2.549
  111    HB   ILE  63           HB       ILE  63  48.424   2.506  -5.177
  112   HG12  ILE  63          HG12      ILE  63  47.943   3.590  -2.393
  113   HG13  ILE  63          HG11      ILE  63  48.649   4.471  -3.743
  114   HG21  ILE  63          HG21      ILE  63  47.459   0.968  -2.781
  115   HG22  ILE  63          HG22      ILE  63  47.533   0.443  -4.463
  116   HG23  ILE  63          HG23      ILE  63  46.358   1.663  -3.971
  117   HD11  ILE  63          HD11      ILE  63  45.940   4.268  -3.013
  118   HD12  ILE  63          HD12      ILE  63  46.131   3.429  -4.552
  119   HD13  ILE  63          HD13      ILE  63  46.641   5.110  -4.394
  120    H    PHE  64           HN       PHE  64  49.571  -0.412  -2.789
  121    HA   PHE  64           HA       PHE  64  50.305  -1.643  -5.325
  122    HB2  PHE  64           HB2      PHE  64  51.619  -2.924  -3.018
  123    HB3  PHE  64           HB1      PHE  64  52.208  -2.680  -4.655
  124    HD1  PHE  64           HD1      PHE  64  51.478  -0.722  -1.564
  125    HD2  PHE  64           HD2      PHE  64  53.971  -1.256  -4.971
  126    HE1  PHE  64           HE1      PHE  64  52.972   1.053  -0.745
  127    HE2  PHE  64           HE2      PHE  64  55.469   0.518  -4.159
  128    HZ   PHE  64           HZ       PHE  64  54.972   1.672  -2.041
  129    HA   PRO  65           HA       PRO  65  47.241  -4.610  -4.224
  130    HB2  PRO  65           HB2      PRO  65  48.299  -6.957  -5.120
  131    HB3  PRO  65           HB1      PRO  65  47.634  -5.722  -6.195
  132    HG2  PRO  65           HG2      PRO  65  50.488  -6.266  -5.472
  133    HG3  PRO  65           HG1      PRO  65  49.788  -5.894  -7.058
  134    HD2  PRO  65           HD2      PRO  65  51.064  -4.033  -5.578
  135    HD3  PRO  65           HD1      PRO  65  49.684  -3.628  -6.621
  136    H    ALA  66           HN       ALA  66  46.779  -6.524  -2.917
  137    HA   ALA  66           HA       ALA  66  48.023  -6.462  -0.425
  138    HB1  ALA  66           HB1      ALA  66  46.839  -8.884  -0.367
  139    HB2  ALA  66           HB2      ALA  66  46.002  -8.153  -1.737
  140    HB3  ALA  66           HB3      ALA  66  45.975  -7.360  -0.162
  141    H    THR  67           HN       THR  67  48.668  -8.446  -3.242
  142    HA   THR  67           HA       THR  67  50.416 -10.258  -1.859
  143    HB   THR  67           HB       THR  67  51.049 -10.686  -4.424
  144    HG1  THR  67           HG1      THR  67  49.907  -9.205  -5.471
  145   HG21  THR  67          HG21      THR  67  49.915 -12.561  -4.133
  146   HG22  THR  67          HG22      THR  67  48.379 -11.694  -4.080
  147   HG23  THR  67          HG23      THR  67  49.330 -11.894  -2.609
  148    H    GLU  68           HN       GLU  68  50.767  -7.085  -2.709
  149    HA   GLU  68           HA       GLU  68  53.577  -7.316  -3.432
  150    HB2  GLU  68           HB2      GLU  68  51.477  -5.408  -3.968
  151    HB3  GLU  68           HB1      GLU  68  52.884  -4.602  -3.288
  152    HG2  GLU  68           HG2      GLU  68  52.905  -4.668  -5.744
  153    HG3  GLU  68           HG1      GLU  68  54.292  -5.479  -5.023
  154    H    LYS  69           HN       LYS  69  52.482  -7.872  -0.710
  155    HA   LYS  69           HA       LYS  69  53.038  -5.830   1.097
  156    HB2  LYS  69           HB2      LYS  69  53.488  -7.713   2.726
  157    HB3  LYS  69           HB1      LYS  69  51.933  -7.768   1.909
  158    HG2  LYS  69           HG2      LYS  69  52.379  -9.841   1.286
  159    HG3  LYS  69           HG1      LYS  69  53.703  -9.225   0.295
  160    HD2  LYS  69           HD2      LYS  69  55.297  -9.658   1.930
  161    HD3  LYS  69           HD1      LYS  69  54.100  -9.692   3.226
  162    HE2  LYS  69           HE2      LYS  69  54.203 -11.744   1.026
  163    HE3  LYS  69           HE1      LYS  69  55.072 -11.925   2.549
  164    HZ1  LYS  69           HZ1      LYS  69  53.085 -12.035   3.747
  165    HZ2  LYS  69           HZ2      LYS  69  52.797 -12.992   2.383
  166    HZ3  LYS  69           HZ3      LYS  69  52.157 -11.429   2.468
  167    H    GLN  70           HN       GLN  70  55.164  -8.114  -0.498
  168    HA   GLN  70           HA       GLN  70  57.492  -7.550   1.015
  169    HB2  GLN  70           HB2      GLN  70  57.182  -9.565  -0.428
  170    HB3  GLN  70           HB1      GLN  70  57.329  -8.528  -1.840
  171    HG2  GLN  70           HG2      GLN  70  59.485  -9.095  -1.757
  172    HG3  GLN  70           HG1      GLN  70  59.581  -7.877  -0.487
  173   HE21  GLN  70          HE21      GLN  70  60.551  -8.516   1.286
  174   HE22  GLN  70          HE22      GLN  70  60.639 -10.136   1.880
  175    H    ILE  71           HN       ILE  71  56.190  -6.263  -1.995
  176    HA   ILE  71           HA       ILE  71  58.372  -4.494  -2.490
  177    HB   ILE  71           HB       ILE  71  55.591  -4.110  -3.571
  178   HG12  ILE  71          HG12      ILE  71  55.988  -6.427  -3.972
  179   HG13  ILE  71          HG11      ILE  71  56.353  -5.596  -5.479
  180   HG21  ILE  71          HG21      ILE  71  56.862  -2.350  -4.310
  181   HG22  ILE  71          HG22      ILE  71  57.127  -3.514  -5.608
  182   HG23  ILE  71          HG23      ILE  71  58.349  -3.299  -4.354
  183   HD11  ILE  71          HD11      ILE  71  57.959  -7.387  -4.861
  184   HD12  ILE  71          HD12      ILE  71  58.435  -6.411  -3.471
  185   HD13  ILE  71          HD13      ILE  71  58.697  -5.803  -5.105
  186    H    PHE  72           HN       PHE  72  55.362  -4.298  -0.732
  187    HA   PHE  72           HA       PHE  72  55.250  -1.482  -0.471
  188    HB2  PHE  72           HB2      PHE  72  53.263  -2.764  -0.051
  189    HB3  PHE  72           HB1      PHE  72  54.071  -3.716   1.189
  190    HD1  PHE  72           HD2      PHE  72  53.943  -0.035   0.628
  191    HD2  PHE  72           HD1      PHE  72  52.987  -3.304   3.178
  192    HE1  PHE  72           HE2      PHE  72  53.154   1.541   2.345
  193    HE2  PHE  72           HE1      PHE  72  52.196  -1.735   4.900
  194    HZ   PHE  72           HZ       PHE  72  52.279   0.691   4.484
  195    H    GLU  73           HN       GLU  73  56.812  -4.025   1.386
  196    HA   GLU  73           HA       GLU  73  57.605  -2.311   3.537
  197    HB2  GLU  73           HB2      GLU  73  58.611  -5.042   2.714
  198    HB3  GLU  73           HB1      GLU  73  59.031  -4.224   4.211
  199    HG2  GLU  73           HG2      GLU  73  56.172  -4.361   3.870
  200    HG3  GLU  73           HG1      GLU  73  56.907  -5.960   3.777
  201    H    ASP  74           HN       ASP  74  59.036  -3.512   0.567
  202    HA   ASP  74           HA       ASP  74  61.628  -2.471   1.057
  203    HB2  ASP  74           HB2      ASP  74  60.213  -3.476  -1.396
  204    HB3  ASP  74           HB1      ASP  74  61.807  -2.739  -1.516
  205    H    HIS  75           HN       HIS  75  58.788  -1.309  -0.666
  206    HA   HIS  75           HA       HIS  75  59.879   0.989  -1.805
  207    HB2  HIS  75           HB2      HIS  75  57.684   0.164  -2.446
  208    HB3  HIS  75           HB1      HIS  75  57.066   0.476  -0.827
  209    HD1  HIS  75           HD1      HIS  75  57.198   1.979  -4.094
  210    HD2  HIS  75           HD2      HIS  75  57.254   3.369  -0.175
  211    HE1  HIS  75           HE1      HIS  75  56.587   4.434  -4.195
  212    H    VAL  76           HN       VAL  76  58.081   0.654   1.238
  213    HA   VAL  76           HA       VAL  76  58.432   3.293   2.128
  214    HB   VAL  76           HB       VAL  76  58.173   0.803   3.831
  215   HG11  VAL  76          HG11      VAL  76  58.079   2.115   5.628
  216   HG12  VAL  76          HG12      VAL  76  56.947   3.220   4.849
  217   HG13  VAL  76          HG13      VAL  76  58.682   3.420   4.607
  218   HG21  VAL  76          HG21      VAL  76  56.394   1.565   1.952
  219   HG22  VAL  76          HG22      VAL  76  55.821   2.505   3.330
  220   HG23  VAL  76          HG23      VAL  76  55.951   0.750   3.452
  221    H    PHE  77           HN       PHE  77  60.393   0.404   2.429
  222    HA   PHE  77           HA       PHE  77  62.283   1.264   4.284
  223    HB2  PHE  77           HB2      PHE  77  62.075  -1.058   3.322
  224    HB3  PHE  77           HB1      PHE  77  62.868  -0.458   1.868
  225    HD1  PHE  77           HD2      PHE  77  63.332  -0.843   5.530
  226    HD2  PHE  77           HD1      PHE  77  65.188  -0.408   1.726
  227    HE1  PHE  77           HE2      PHE  77  65.525  -1.281   6.555
  228    HE2  PHE  77           HE1      PHE  77  67.384  -0.846   2.742
  229    HZ   PHE  77           HZ       PHE  77  67.555  -1.283   5.161
  230    H    CYS  78           HN       CYS  78  61.938   1.939   0.864
  231    HA   CYS  78           HA       CYS  78  64.471   3.121   0.499
  232    HB2  CYS  78           HB2      CYS  78  62.065   2.769  -1.060
  233    HB3  CYS  78           HB1      CYS  78  62.692   4.402  -1.267
  234    HG   CYS  78           HG       CYS  78  64.761   3.490  -2.380
  235    H    HIS  79           HN       HIS  79  61.308   4.492   1.269
  236    HA   HIS  79           HA       HIS  79  62.168   7.174   1.442
  237    HB2  HIS  79           HB2      HIS  79  59.892   5.713   2.793
  238    HB3  HIS  79           HB1      HIS  79  60.150   7.445   2.952
  239    HD1  HIS  79           HD1      HIS  79  59.900   8.851   0.658
  240    HD2  HIS  79           HD2      HIS  79  58.563   4.922   0.586
  241    HE1  HIS  79           HE1      HIS  79  58.391   8.654  -1.364
  242    H    SER  80           HN       SER  80  62.695   4.421   3.389
  243    HA   SER  80           HA       SER  80  63.147   5.798   5.866
  244    HB2  SER  80           HB2      SER  80  64.245   3.076   5.231
  245    HB3  SER  80           HB1      SER  80  63.677   3.707   6.777
  246    HG   SER  80           HG       SER  80  61.576   3.574   6.037
  247    H    LEU  81           HN       LEU  81  64.973   5.313   3.035
  248    HA   LEU  81           HA       LEU  81  67.555   5.386   4.249
  249    HB2  LEU  81           HB2      LEU  81  66.784   5.968   1.398
  250    HB3  LEU  81           HB1      LEU  81  68.400   5.614   1.988
  251    HG   LEU  81           HG       LEU  81  66.253   3.627   2.501
  252   HD11  LEU  81          HD11      LEU  81  67.707   3.770  -0.138
  253   HD12  LEU  81          HD12      LEU  81  66.054   4.338   0.097
  254   HD13  LEU  81          HD13      LEU  81  66.444   2.635   0.340
  255   HD21  LEU  81          HD21      LEU  81  68.968   2.933   1.536
  256   HD22  LEU  81          HD22      LEU  81  67.973   2.172   2.776
  257   HD23  LEU  81          HD23      LEU  81  68.842   3.663   3.137
  Start of MODEL   15
    1    H1   GLN  49           HT1      GLN  49  35.067   1.543   1.810
    2    H2   GLN  49           HT2      GLN  49  35.653   2.718   0.704
    3    H3   GLN  49           HT3      GLN  49  34.825   3.211   2.123
    4    HA   GLN  49           HA       GLN  49  37.012   3.581   2.597
    5    HB2  GLN  49           HB2      GLN  49  35.512   1.841   4.032
    6    HB3  GLN  49           HB1      GLN  49  36.929   0.848   3.721
    7    HG2  GLN  49           HG2      GLN  49  37.454   1.841   5.726
    8    HG3  GLN  49           HG1      GLN  49  38.253   2.901   4.566
    9   HE21  GLN  49          HE21      GLN  49  38.103   4.920   5.208
   10   HE22  GLN  49          HE22      GLN  49  36.705   5.677   5.882
   11    H    MET  50           HN       MET  50  37.008   0.094   1.937
   12    HA   MET  50           HA       MET  50  38.479  -1.259   0.849
   13    HB2  MET  50           HB2      MET  50  37.795   0.048  -1.102
   14    HB3  MET  50           HB1      MET  50  39.015   1.260  -0.736
   15    HG2  MET  50           HG2      MET  50  40.695   0.025  -1.584
   16    HG3  MET  50           HG1      MET  50  39.994  -1.500  -1.046
   17    HE1  MET  50           HE1      MET  50  41.023   0.535  -3.779
   18    HE2  MET  50           HE2      MET  50  39.481   1.381  -3.908
   19    HE3  MET  50           HE3      MET  50  39.965   0.236  -5.159
   20    H    GLN  51           HN       GLN  51  39.739  -1.409   2.801
   21    HA   GLN  51           HA       GLN  51  42.232   0.148   2.754
   22    HB2  GLN  51           HB2      GLN  51  40.489  -0.741   4.886
   23    HB3  GLN  51           HB1      GLN  51  42.138  -1.289   5.154
   24    HG2  GLN  51           HG2      GLN  51  42.809   0.740   5.738
   25    HG3  GLN  51           HG1      GLN  51  42.071   1.473   4.315
   26   HE21  GLN  51          HE21      GLN  51  42.198   2.101   7.305
   27   HE22  GLN  51          HE22      GLN  51  40.558   2.466   7.711
   28    HA   PRO  52           HA       PRO  52  43.710  -4.439   3.448
   29    HB2  PRO  52           HB2      PRO  52  41.345  -5.990   2.597
   30    HB3  PRO  52           HB1      PRO  52  42.411  -6.235   3.984
   31    HG2  PRO  52           HG2      PRO  52  39.917  -5.308   4.288
   32    HG3  PRO  52           HG1      PRO  52  41.250  -4.740   5.309
   33    HD2  PRO  52           HD2      PRO  52  39.954  -3.404   2.965
   34    HD3  PRO  52           HD1      PRO  52  40.502  -2.704   4.501
   35    H    LEU  53           HN       LEU  53  43.934  -6.399   1.827
   36    HA   LEU  53           HA       LEU  53  44.502  -7.090  -0.262
   37    HB2  LEU  53           HB2      LEU  53  41.902  -6.059  -0.463
   38    HB3  LEU  53           HB1      LEU  53  42.768  -5.401  -1.838
   39    HG   LEU  53           HG       LEU  53  43.524  -7.901  -2.168
   40   HD11  LEU  53          HD11      LEU  53  41.119  -8.092  -0.392
   41   HD12  LEU  53          HD12      LEU  53  42.644  -8.973  -0.299
   42   HD13  LEU  53          HD13      LEU  53  41.486  -9.348  -1.576
   43   HD21  LEU  53          HD21      LEU  53  40.679  -7.389  -2.879
   44   HD22  LEU  53          HD22      LEU  53  41.990  -8.040  -3.864
   45   HD23  LEU  53          HD23      LEU  53  41.922  -6.312  -3.514
   46    H    CYS  54           HN       CYS  54  45.594  -4.522   0.940
   47    HA   CYS  54           HA       CYS  54  47.363  -3.880  -1.146
   48    HB2  CYS  54           HB2      CYS  54  46.678  -1.610  -1.688
   49    HB3  CYS  54           HB1      CYS  54  45.381  -2.734  -2.076
   50    HG   CYS  54           HG       CYS  54  44.016  -1.831  -0.115
   51    H    PHE  55           HN       PHE  55  48.288  -1.451  -0.545
   52    HA   PHE  55           HA       PHE  55  48.499  -1.140   2.335
   53    HB2  PHE  55           HB2      PHE  55  50.793  -1.974   0.569
   54    HB3  PHE  55           HB1      PHE  55  51.062  -1.106   2.076
   55    HD1  PHE  55           HD2      PHE  55  49.767  -4.221   0.601
   56    HD2  PHE  55           HD1      PHE  55  50.883  -2.196   4.173
   57    HE1  PHE  55           HE2      PHE  55  49.674  -6.350   1.833
   58    HE2  PHE  55           HE1      PHE  55  50.792  -4.319   5.411
   59    HZ   PHE  55           HZ       PHE  55  50.186  -6.400   4.242
   60    H    ASN  56           HN       ASN  56  49.796   0.816   2.902
   61    HA   ASN  56           HA       ASN  56  49.958   2.764   0.714
   62    HB2  ASN  56           HB2      ASN  56  48.515   3.189   3.337
   63    HB3  ASN  56           HB1      ASN  56  48.899   4.476   2.199
   64   HD21  ASN  56          HD21      ASN  56  46.313   3.844   3.041
   65   HD22  ASN  56          HD22      ASN  56  45.421   3.265   1.679
   66    H    CYS  57           HN       CYS  57  51.840   3.798   0.726
   67    HA   CYS  57           HA       CYS  57  53.710   3.442   2.863
   68    HB2  CYS  57           HB2      CYS  57  54.584   3.511   0.635
   69    HB3  CYS  57           HB1      CYS  57  53.794   5.046   0.306
   70    HA   PRO  58           HA       PRO  58  52.025   6.984   5.091
   71    HB2  PRO  58           HB2      PRO  58  53.651   6.746   7.258
   72    HB3  PRO  58           HB1      PRO  58  52.208   5.756   7.014
   73    HG2  PRO  58           HG2      PRO  58  55.075   5.091   6.463
   74    HG3  PRO  58           HG1      PRO  58  53.822   4.092   7.224
   75    HD2  PRO  58           HD2      PRO  58  54.530   3.777   4.643
   76    HD3  PRO  58           HD1      PRO  58  52.861   3.534   5.197
   77    H    ILE  59           HN       ILE  59  55.162   6.567   3.794
   78    HA   ILE  59           HA       ILE  59  56.198   9.056   4.840
   79    HB   ILE  59           HB       ILE  59  57.387   7.354   2.655
   80   HG12  ILE  59          HG12      ILE  59  58.819   7.005   5.049
   81   HG13  ILE  59          HG11      ILE  59  57.122   6.855   5.496
   82   HG21  ILE  59          HG21      ILE  59  58.523   9.347   2.543
   83   HG22  ILE  59          HG22      ILE  59  59.491   8.484   3.738
   84   HG23  ILE  59          HG23      ILE  59  58.314   9.688   4.261
   85   HD11  ILE  59          HD11      ILE  59  57.973   5.379   3.093
   86   HD12  ILE  59          HD12      ILE  59  56.867   4.914   4.384
   87   HD13  ILE  59          HD13      ILE  59  58.609   4.813   4.636
   88    H    CYS  60           HN       CYS  60  55.371   7.852   1.550
   89    HA   CYS  60           HA       CYS  60  55.054  10.688   0.794
   90    HB2  CYS  60           HB2      CYS  60  55.732  10.189  -1.422
   91    HB3  CYS  60           HB1      CYS  60  56.893   9.401  -0.361
   92    H    ASP  61           HN       ASP  61  53.328   7.914   1.419
   93    HA   ASP  61           HA       ASP  61  51.067   7.576   1.345
   94    HB2  ASP  61           HB2      ASP  61  50.773   9.786  -0.680
   95    HB3  ASP  61           HB1      ASP  61  49.557   9.139   0.415
   96    H    LYS  62           HN       LYS  62  53.147   6.523  -0.528
   97    HA   LYS  62           HA       LYS  62  51.774   6.082  -3.012
   98    HB2  LYS  62           HB2      LYS  62  54.409   5.522  -1.920
   99    HB3  LYS  62           HB1      LYS  62  53.777   4.158  -2.829
  100    HG2  LYS  62           HG2      LYS  62  53.696   6.909  -3.991
  101    HG3  LYS  62           HG1      LYS  62  55.175   5.951  -4.048
  102    HD2  LYS  62           HD2      LYS  62  53.201   4.187  -4.870
  103    HD3  LYS  62           HD1      LYS  62  52.747   5.717  -5.623
  104    HE2  LYS  62           HE2      LYS  62  54.687   5.833  -6.868
  105    HE3  LYS  62           HE1      LYS  62  55.585   4.801  -5.756
  106    HZ1  LYS  62           HZ1      LYS  62  54.620   3.974  -8.096
  107    HZ2  LYS  62           HZ2      LYS  62  53.334   3.546  -7.085
  108    HZ3  LYS  62           HZ3      LYS  62  54.884   2.944  -6.779
  109    H    ILE  63           HN       ILE  63  50.341   4.534  -3.465
  110    HA   ILE  63           HA       ILE  63  49.729   2.558  -1.414
  111    HB   ILE  63           HB       ILE  63  48.279   3.089  -4.006
  112   HG12  ILE  63          HG12      ILE  63  47.714   4.128  -1.222
  113   HG13  ILE  63          HG11      ILE  63  48.301   5.085  -2.578
  114   HG21  ILE  63          HG21      ILE  63  47.503   1.554  -1.533
  115   HG22  ILE  63          HG22      ILE  63  47.780   0.903  -3.148
  116   HG23  ILE  63          HG23      ILE  63  46.398   1.956  -2.847
  117   HD11  ILE  63          HD11      ILE  63  45.833   5.235  -2.030
  118   HD12  ILE  63          HD12      ILE  63  45.699   3.604  -2.686
  119   HD13  ILE  63          HD13      ILE  63  46.260   4.923  -3.713
  120    H    PHE  64           HN       PHE  64  49.438   0.318  -1.911
  121    HA   PHE  64           HA       PHE  64  50.666  -0.696  -4.350
  122    HB2  PHE  64           HB2      PHE  64  51.717  -1.195  -1.572
  123    HB3  PHE  64           HB1      PHE  64  51.997  -2.341  -2.877
  124    HD1  PHE  64           HD2      PHE  64  52.685   1.062  -1.671
  125    HD2  PHE  64           HD1      PHE  64  53.583  -1.901  -4.591
  126    HE1  PHE  64           HE2      PHE  64  54.649   2.363  -2.381
  127    HE2  PHE  64           HE1      PHE  64  55.551  -0.607  -5.304
  128    HZ   PHE  64           HZ       PHE  64  56.086   1.526  -4.198
  129    HA   PRO  65           HA       PRO  65  47.290  -3.542  -3.842
  130    HB2  PRO  65           HB2      PRO  65  48.137  -5.510  -5.534
  131    HB3  PRO  65           HB1      PRO  65  47.403  -4.000  -6.084
  132    HG2  PRO  65           HG2      PRO  65  50.288  -4.769  -5.955
  133    HG3  PRO  65           HG1      PRO  65  49.421  -3.879  -7.219
  134    HD2  PRO  65           HD2      PRO  65  50.979  -2.647  -5.378
  135    HD3  PRO  65           HD1      PRO  65  49.532  -1.886  -6.070
  136    H    ALA  66           HN       ALA  66  46.822  -5.600  -2.934
  137    HA   ALA  66           HA       ALA  66  48.349  -6.372  -0.778
  138    HB1  ALA  66           HB1      ALA  66  46.584  -7.652  -0.365
  139    HB2  ALA  66           HB2      ALA  66  46.899  -8.642  -1.789
  140    HB3  ALA  66           HB3      ALA  66  45.934  -7.174  -1.934
  141    H    THR  67           HN       THR  67  48.570  -7.470  -4.102
  142    HA   THR  67           HA       THR  67  50.345  -9.647  -3.508
  143    HB   THR  67           HB       THR  67  50.679  -9.357  -6.137
  144    HG1  THR  67           HG1      THR  67  49.489  -7.804  -6.858
  145   HG21  THR  67          HG21      THR  67  48.826 -10.814  -4.516
  146   HG22  THR  67          HG22      THR  67  49.566 -11.262  -6.054
  147   HG23  THR  67          HG23      THR  67  48.064 -10.339  -6.035
  148    H    GLU  68           HN       GLU  68  50.754  -6.339  -3.583
  149    HA   GLU  68           HA       GLU  68  53.516  -6.515  -4.508
  150    HB2  GLU  68           HB2      GLU  68  51.483  -4.399  -4.482
  151    HB3  GLU  68           HB1      GLU  68  53.084  -3.858  -4.005
  152    HG2  GLU  68           HG2      GLU  68  52.578  -3.616  -6.429
  153    HG3  GLU  68           HG1      GLU  68  54.029  -4.550  -6.068
  154    H    LYS  69           HN       LYS  69  52.548  -7.495  -1.885
  155    HA   LYS  69           HA       LYS  69  53.221  -5.769   0.203
  156    HB2  LYS  69           HB2      LYS  69  52.126  -8.127   0.245
  157    HB3  LYS  69           HB1      LYS  69  53.781  -8.717   0.337
  158    HG2  LYS  69           HG2      LYS  69  53.469  -6.646   2.257
  159    HG3  LYS  69           HG1      LYS  69  52.121  -7.772   2.425
  160    HD2  LYS  69           HD2      LYS  69  53.614  -8.863   3.740
  161    HD3  LYS  69           HD1      LYS  69  54.117  -9.534   2.187
  162    HE2  LYS  69           HE2      LYS  69  55.780  -7.651   2.038
  163    HE3  LYS  69           HE1      LYS  69  55.373  -7.258   3.708
  164    HZ1  LYS  69           HZ1      LYS  69  56.805  -9.589   2.644
  165    HZ2  LYS  69           HZ2      LYS  69  55.918  -9.763   4.073
  166    HZ3  LYS  69           HZ3      LYS  69  57.166  -8.626   3.988
  167    H    GLN  70           HN       GLN  70  55.213  -7.832  -1.816
  168    HA   GLN  70           HA       GLN  70  57.604  -7.581  -0.317
  169    HB2  GLN  70           HB2      GLN  70  57.078  -9.303  -2.119
  170    HB3  GLN  70           HB1      GLN  70  57.447  -8.044  -3.291
  171    HG2  GLN  70           HG2      GLN  70  59.374  -9.431  -2.994
  172    HG3  GLN  70           HG1      GLN  70  59.700  -7.839  -2.311
  173   HE21  GLN  70          HE21      GLN  70  61.425  -9.153  -1.264
  174   HE22  GLN  70          HE22      GLN  70  61.052  -9.905   0.246
  175    H    ILE  71           HN       ILE  71  56.384  -5.891  -3.174
  176    HA   ILE  71           HA       ILE  71  58.587  -4.118  -3.401
  177    HB   ILE  71           HB       ILE  71  55.773  -3.720  -4.430
  178   HG12  ILE  71          HG12      ILE  71  57.194  -4.489  -6.590
  179   HG13  ILE  71          HG11      ILE  71  58.041  -5.400  -5.344
  180   HG21  ILE  71          HG21      ILE  71  58.357  -2.549  -5.447
  181   HG22  ILE  71          HG22      ILE  71  57.243  -1.704  -4.371
  182   HG23  ILE  71          HG23      ILE  71  56.721  -2.173  -5.990
  183   HD11  ILE  71          HD11      ILE  71  55.314  -5.782  -4.852
  184   HD12  ILE  71          HD12      ILE  71  56.470  -6.945  -5.499
  185   HD13  ILE  71          HD13      ILE  71  55.526  -5.937  -6.596
  186    H    PHE  72           HN       PHE  72  55.589  -4.053  -1.605
  187    HA   PHE  72           HA       PHE  72  55.597  -1.295  -0.965
  188    HB2  PHE  72           HB2      PHE  72  53.565  -2.589  -0.720
  189    HB3  PHE  72           HB1      PHE  72  54.338  -3.653   0.450
  190    HD1  PHE  72           HD2      PHE  72  53.664  -0.015  -0.042
  191    HD2  PHE  72           HD1      PHE  72  53.896  -3.287   2.668
  192    HE1  PHE  72           HE2      PHE  72  52.908   1.450   1.786
  193    HE2  PHE  72           HE1      PHE  72  53.138  -1.829   4.500
  194    HZ   PHE  72           HZ       PHE  72  52.645   0.543   4.060
  195    H    GLU  73           HN       GLU  73  57.039  -4.130   0.535
  196    HA   GLU  73           HA       GLU  73  57.891  -2.775   2.898
  197    HB2  GLU  73           HB2      GLU  73  58.254  -5.454   1.699
  198    HB3  GLU  73           HB1      GLU  73  59.570  -4.908   2.730
  199    HG2  GLU  73           HG2      GLU  73  57.675  -4.348   4.411
  200    HG3  GLU  73           HG1      GLU  73  56.723  -5.463   3.430
  201    H    ASP  74           HN       ASP  74  59.268  -3.495  -0.243
  202    HA   ASP  74           HA       ASP  74  61.884  -2.593   0.372
  203    HB2  ASP  74           HB2      ASP  74  60.417  -3.396  -2.075
  204    HB3  ASP  74           HB1      ASP  74  61.803  -2.333  -2.309
  205    H    HIS  75           HN       HIS  75  59.067  -1.118  -1.153
  206    HA   HIS  75           HA       HIS  75  60.170   1.315  -1.909
  207    HB2  HIS  75           HB2      HIS  75  57.942   0.670  -2.611
  208    HB3  HIS  75           HB1      HIS  75  57.376   0.687  -0.945
  209    HD1  HIS  75           HD1      HIS  75  57.555   2.789  -3.894
  210    HD2  HIS  75           HD2      HIS  75  57.515   3.390   0.222
  211    HE1  HIS  75           HE1      HIS  75  56.925   5.213  -3.529
  212    H    VAL  76           HN       VAL  76  58.448   0.540   1.096
  213    HA   VAL  76           HA       VAL  76  58.899   2.995   2.384
  214    HB   VAL  76           HB       VAL  76  58.582   0.263   3.649
  215   HG11  VAL  76          HG11      VAL  76  57.941   2.941   4.864
  216   HG12  VAL  76          HG12      VAL  76  59.476   2.111   5.116
  217   HG13  VAL  76          HG13      VAL  76  57.972   1.367   5.658
  218   HG21  VAL  76          HG21      VAL  76  56.240   0.668   3.723
  219   HG22  VAL  76          HG22      VAL  76  56.764   0.967   2.065
  220   HG23  VAL  76          HG23      VAL  76  56.444   2.323   3.147
  221    H    PHE  77           HN       PHE  77  60.773   0.052   2.130
  222    HA   PHE  77           HA       PHE  77  62.748   0.548   4.038
  223    HB2  PHE  77           HB2      PHE  77  62.324  -1.301   1.898
  224    HB3  PHE  77           HB1      PHE  77  63.969  -0.688   1.778
  225    HD1  PHE  77           HD2      PHE  77  65.193  -0.561   4.169
  226    HD2  PHE  77           HD1      PHE  77  62.020  -3.200   3.131
  227    HE1  PHE  77           HE2      PHE  77  65.897  -2.104   5.953
  228    HE2  PHE  77           HE1      PHE  77  62.717  -4.746   4.912
  229    HZ   PHE  77           HZ       PHE  77  64.658  -4.199   6.326
  230    H    CYS  78           HN       CYS  78  62.254   1.833   0.828
  231    HA   CYS  78           HA       CYS  78  64.835   2.954   0.526
  232    HB2  CYS  78           HB2      CYS  78  62.690   2.650  -1.138
  233    HB3  CYS  78           HB1      CYS  78  62.617   4.375  -0.793
  234    HG   CYS  78           HG       CYS  78  64.494   3.102  -2.710
  235    H    HIS  79           HN       HIS  79  61.756   4.259   1.651
  236    HA   HIS  79           HA       HIS  79  62.724   6.851   2.228
  237    HB2  HIS  79           HB2      HIS  79  60.424   5.274   3.401
  238    HB3  HIS  79           HB1      HIS  79  60.748   6.957   3.796
  239    HD1  HIS  79           HD1      HIS  79  60.470   8.690   1.749
  240    HD2  HIS  79           HD2      HIS  79  59.033   4.845   1.124
  241    HE1  HIS  79           HE1      HIS  79  58.914   8.829  -0.240
  242    H    SER  80           HN       SER  80  63.214   3.796   3.660
  243    HA   SER  80           HA       SER  80  63.766   4.716   6.323
  244    HB2  SER  80           HB2      SER  80  63.592   2.177   4.956
  245    HB3  SER  80           HB1      SER  80  65.040   2.241   5.959
  246    HG   SER  80           HG       SER  80  62.760   1.632   6.838
  247    H    LEU  81           HN       LEU  81  65.479   4.706   3.391
  248    HA   LEU  81           HA       LEU  81  68.105   4.512   4.492
  249    HB2  LEU  81           HB2      LEU  81  67.237   5.588   1.818
  250    HB3  LEU  81           HB1      LEU  81  68.869   5.117   2.269
  251    HG   LEU  81           HG       LEU  81  66.696   3.105   2.518
  252   HD11  LEU  81          HD11      LEU  81  66.839   2.477   0.209
  253   HD12  LEU  81          HD12      LEU  81  68.070   3.701  -0.103
  254   HD13  LEU  81          HD13      LEU  81  66.419   4.189   0.281
  255   HD21  LEU  81          HD21      LEU  81  69.650   3.136   2.061
  256   HD22  LEU  81          HD22      LEU  81  68.701   1.724   1.598
  257   HD23  LEU  81          HD23      LEU  81  68.710   2.269   3.275
  Start of MODEL   16
    1    H1   GLN  49           HT1      GLN  49  31.769   1.860   0.495
    2    H2   GLN  49           HT2      GLN  49  33.263   1.777  -0.345
    3    H3   GLN  49           HT3      GLN  49  32.960   3.067   0.746
    4    HA   GLN  49           HA       GLN  49  33.073   1.710   2.582
    5    HB2  GLN  49           HB2      GLN  49  33.288  -0.768   2.313
    6    HB3  GLN  49           HB1      GLN  49  31.742  -0.123   1.774
    7    HG2  GLN  49           HG2      GLN  49  32.048  -0.850  -0.302
    8    HG3  GLN  49           HG1      GLN  49  33.694  -0.223  -0.367
    9   HE21  GLN  49          HE21      GLN  49  34.990  -1.800  -0.974
   10   HE22  GLN  49          HE22      GLN  49  34.983  -3.415  -0.361
   11    H    MET  50           HN       MET  50  34.996   0.377   3.370
   12    HA   MET  50           HA       MET  50  37.361   0.973   1.716
   13    HB2  MET  50           HB2      MET  50  36.811   1.512   4.593
   14    HB3  MET  50           HB1      MET  50  38.450   1.065   4.141
   15    HG2  MET  50           HG2      MET  50  38.843   3.018   3.093
   16    HG3  MET  50           HG1      MET  50  37.190   3.156   2.497
   17    HE1  MET  50           HE1      MET  50  39.051   5.134   6.079
   18    HE2  MET  50           HE2      MET  50  39.464   5.327   4.376
   19    HE3  MET  50           HE3      MET  50  39.729   3.779   5.178
   20    H    GLN  51           HN       GLN  51  38.948  -0.558   1.593
   21    HA   GLN  51           HA       GLN  51  38.697  -2.979   3.214
   22    HB2  GLN  51           HB2      GLN  51  38.048  -2.778   0.395
   23    HB3  GLN  51           HB1      GLN  51  39.344  -3.935   0.669
   24    HG2  GLN  51           HG2      GLN  51  37.493  -4.519   2.642
   25    HG3  GLN  51           HG1      GLN  51  36.514  -4.149   1.224
   26   HE21  GLN  51          HE21      GLN  51  35.842  -6.174   0.746
   27   HE22  GLN  51          HE22      GLN  51  36.895  -7.458   0.270
   28    HA   PRO  52           HA       PRO  52  43.087  -1.805   3.202
   29    HB2  PRO  52           HB2      PRO  52  43.222  -3.893   5.283
   30    HB3  PRO  52           HB1      PRO  52  43.694  -2.194   5.364
   31    HG2  PRO  52           HG2      PRO  52  41.516  -3.103   6.634
   32    HG3  PRO  52           HG1      PRO  52  41.560  -1.489   5.901
   33    HD2  PRO  52           HD2      PRO  52  40.303  -4.005   4.869
   34    HD3  PRO  52           HD1      PRO  52  39.678  -2.343   4.845
   35    H    LEU  53           HN       LEU  53  42.754  -3.097   1.046
   36    HA   LEU  53           HA       LEU  53  44.036  -5.726   1.256
   37    HB2  LEU  53           HB2      LEU  53  41.780  -5.172  -0.032
   38    HB3  LEU  53           HB1      LEU  53  42.900  -4.730  -1.308
   39    HG   LEU  53           HG       LEU  53  43.922  -7.065  -0.968
   40   HD11  LEU  53          HD11      LEU  53  42.750  -7.474   1.186
   41   HD12  LEU  53          HD12      LEU  53  42.505  -8.745  -0.012
   42   HD13  LEU  53          HD13      LEU  53  41.232  -7.562   0.293
   43   HD21  LEU  53          HD21      LEU  53  41.811  -8.054  -2.216
   44   HD22  LEU  53          HD22      LEU  53  42.868  -6.868  -2.982
   45   HD23  LEU  53          HD23      LEU  53  41.343  -6.354  -2.260
   46    H    CYS  54           HN       CYS  54  45.482  -3.234   1.510
   47    HA   CYS  54           HA       CYS  54  47.643  -3.785  -0.237
   48    HB2  CYS  54           HB2      CYS  54  47.648  -1.719  -1.544
   49    HB3  CYS  54           HB1      CYS  54  46.184  -2.643  -1.862
   50    HG   CYS  54           HG       CYS  54  45.036  -0.881  -0.106
   51    H    PHE  55           HN       PHE  55  49.096  -1.540  -0.204
   52    HA   PHE  55           HA       PHE  55  49.035  -0.486   2.527
   53    HB2  PHE  55           HB2      PHE  55  51.457  -1.743   1.221
   54    HB3  PHE  55           HB1      PHE  55  51.482  -0.850   2.737
   55    HD1  PHE  55           HD2      PHE  55  50.279  -1.759   4.716
   56    HD2  PHE  55           HD1      PHE  55  50.788  -4.002   1.135
   57    HE1  PHE  55           HE2      PHE  55  49.769  -3.829   5.944
   58    HE2  PHE  55           HE1      PHE  55  50.278  -6.076   2.357
   59    HZ   PHE  55           HZ       PHE  55  49.768  -5.991   4.765
   60    H    ASN  56           HN       ASN  56  49.030   1.650   2.384
   61    HA   ASN  56           HA       ASN  56  49.992   2.975  -0.006
   62    HB2  ASN  56           HB2      ASN  56  48.475   3.841   2.433
   63    HB3  ASN  56           HB1      ASN  56  49.229   5.048   1.396
   64   HD21  ASN  56          HD21      ASN  56  48.315   5.548  -0.521
   65   HD22  ASN  56          HD22      ASN  56  46.838   4.861  -1.100
   66    H    CYS  57           HN       CYS  57  51.835   4.121  -0.207
   67    HA   CYS  57           HA       CYS  57  53.858   3.828   1.792
   68    HB2  CYS  57           HB2      CYS  57  54.469   3.771  -0.558
   69    HB3  CYS  57           HB1      CYS  57  53.829   5.392  -0.793
   70    HA   PRO  58           HA       PRO  58  52.876   7.679   3.825
   71    HB2  PRO  58           HB2      PRO  58  54.526   7.436   5.902
   72    HB3  PRO  58           HB1      PRO  58  53.132   6.363   5.719
   73    HG2  PRO  58           HG2      PRO  58  56.016   5.836   5.154
   74    HG3  PRO  58           HG1      PRO  58  54.797   4.762   5.860
   75    HD2  PRO  58           HD2      PRO  58  55.618   4.762   3.193
   76    HD3  PRO  58           HD1      PRO  58  54.129   4.025   3.815
   77    H    ILE  59           HN       ILE  59  55.084   7.461   1.668
   78    HA   ILE  59           HA       ILE  59  56.593   9.815   2.585
   79    HB   ILE  59           HB       ILE  59  57.765   7.813   0.675
   80   HG12  ILE  59          HG12      ILE  59  57.178   6.746   2.902
   81   HG13  ILE  59          HG11      ILE  59  58.879   6.685   2.457
   82   HG21  ILE  59          HG21      ILE  59  58.798  10.115   2.293
   83   HG22  ILE  59          HG22      ILE  59  58.920   9.832   0.557
   84   HG23  ILE  59          HG23      ILE  59  59.881   8.870   1.677
   85   HD11  ILE  59          HD11      ILE  59  57.689   8.718   4.324
   86   HD12  ILE  59          HD12      ILE  59  59.399   8.459   3.976
   87   HD13  ILE  59          HD13      ILE  59  58.476   7.225   4.834
   88    H    CYS  60           HN       CYS  60  55.714   7.960  -0.363
   89    HA   CYS  60           HA       CYS  60  55.458  10.568  -1.727
   90    HB2  CYS  60           HB2      CYS  60  56.002   9.508  -3.801
   91    HB3  CYS  60           HB1      CYS  60  57.214   9.024  -2.620
   92    H    ASP  61           HN       ASP  61  53.631   8.162  -0.400
   93    HA   ASP  61           HA       ASP  61  51.355   7.937  -0.353
   94    HB2  ASP  61           HB2      ASP  61  51.450  10.302  -1.547
   95    HB3  ASP  61           HB1      ASP  61  50.936   9.358  -2.943
   96    H    LYS  62           HN       LYS  62  53.475   6.546  -2.210
   97    HA   LYS  62           HA       LYS  62  52.124   5.438  -4.381
   98    HB2  LYS  62           HB2      LYS  62  54.577   4.898  -2.909
   99    HB3  LYS  62           HB1      LYS  62  53.833   3.425  -3.513
  100    HG2  LYS  62           HG2      LYS  62  53.890   5.537  -5.506
  101    HG3  LYS  62           HG1      LYS  62  55.497   5.106  -4.919
  102    HD2  LYS  62           HD2      LYS  62  54.703   2.665  -5.287
  103    HD3  LYS  62           HD1      LYS  62  53.468   3.399  -6.312
  104    HE2  LYS  62           HE2      LYS  62  54.945   3.929  -7.929
  105    HE3  LYS  62           HE1      LYS  62  56.207   4.358  -6.775
  106    HZ1  LYS  62           HZ1      LYS  62  56.580   2.325  -8.234
  107    HZ2  LYS  62           HZ2      LYS  62  55.449   1.542  -7.250
  108    HZ3  LYS  62           HZ3      LYS  62  56.877   2.150  -6.577
  109    H    ILE  63           HN       ILE  63  51.801   2.887  -4.436
  110    HA   ILE  63           HA       ILE  63  50.444   1.945  -2.030
  111    HB   ILE  63           HB       ILE  63  49.040   1.984  -4.699
  112   HG12  ILE  63          HG12      ILE  63  48.570   3.693  -2.245
  113   HG13  ILE  63          HG11      ILE  63  49.218   4.253  -3.784
  114   HG21  ILE  63          HG21      ILE  63  48.301   0.122  -3.443
  115   HG22  ILE  63          HG22      ILE  63  47.069   1.368  -3.239
  116   HG23  ILE  63          HG23      ILE  63  48.236   1.061  -1.952
  117   HD11  ILE  63          HD11      ILE  63  46.745   2.944  -4.272
  118   HD12  ILE  63          HD12      ILE  63  47.171   4.639  -4.512
  119   HD13  ILE  63          HD13      ILE  63  46.527   4.103  -2.960
  120    H    PHE  64           HN       PHE  64  50.216  -0.295  -1.906
  121    HA   PHE  64           HA       PHE  64  51.198  -1.919  -4.118
  122    HB2  PHE  64           HB2      PHE  64  52.440  -1.879  -1.364
  123    HB3  PHE  64           HB1      PHE  64  52.685  -3.187  -2.514
  124    HD1  PHE  64           HD2      PHE  64  53.208   0.430  -1.964
  125    HD2  PHE  64           HD1      PHE  64  54.267  -3.009  -4.236
  126    HE1  PHE  64           HE2      PHE  64  55.074   1.676  -2.972
  127    HE2  PHE  64           HE1      PHE  64  56.136  -1.769  -5.248
  128    HZ   PHE  64           HZ       PHE  64  56.540   0.575  -4.615
  129    HA   PRO  65           HA       PRO  65  47.727  -4.404  -2.881
  130    HB2  PRO  65           HB2      PRO  65  48.779  -6.835  -3.780
  131    HB3  PRO  65           HB1      PRO  65  47.808  -5.712  -4.733
  132    HG2  PRO  65           HG2      PRO  65  50.763  -6.068  -4.652
  133    HG3  PRO  65           HG1      PRO  65  49.715  -5.664  -6.024
  134    HD2  PRO  65           HD2      PRO  65  51.235  -3.807  -4.822
  135    HD3  PRO  65           HD1      PRO  65  49.617  -3.420  -5.448
  136    H    ALA  66           HN       ALA  66  47.169  -5.774  -1.221
  137    HA   ALA  66           HA       ALA  66  48.806  -5.906   1.009
  138    HB1  ALA  66           HB1      ALA  66  46.491  -6.102   1.352
  139    HB2  ALA  66           HB2      ALA  66  47.158  -7.671   1.804
  140    HB3  ALA  66           HB3      ALA  66  46.358  -7.469   0.245
  141    H    THR  67           HN       THR  67  48.617  -8.061  -1.709
  142    HA   THR  67           HA       THR  67  49.930 -10.260  -0.411
  143    HB   THR  67           HB       THR  67  50.219 -10.856  -3.007
  144    HG1  THR  67           HG1      THR  67  49.216  -9.500  -4.224
  145   HG21  THR  67          HG21      THR  67  48.901 -12.220  -1.545
  146   HG22  THR  67          HG22      THR  67  47.961 -11.854  -2.993
  147   HG23  THR  67          HG23      THR  67  47.629 -11.000  -1.486
  148    H    GLU  68           HN       GLU  68  50.920  -7.370  -1.986
  149    HA   GLU  68           HA       GLU  68  53.622  -8.393  -2.373
  150    HB2  GLU  68           HB2      GLU  68  52.218  -5.918  -3.347
  151    HB3  GLU  68           HB1      GLU  68  53.961  -6.108  -3.474
  152    HG2  GLU  68           HG2      GLU  68  51.872  -7.877  -4.723
  153    HG3  GLU  68           HG1      GLU  68  52.898  -6.709  -5.553
  154    H    LYS  69           HN       LYS  69  52.587  -7.926   0.285
  155    HA   LYS  69           HA       LYS  69  53.287  -5.531   1.460
  156    HB2  LYS  69           HB2      LYS  69  52.165  -7.281   2.707
  157    HB3  LYS  69           HB1      LYS  69  53.568  -8.331   2.566
  158    HG2  LYS  69           HG2      LYS  69  53.316  -7.270   4.791
  159    HG3  LYS  69           HG1      LYS  69  54.854  -6.918   4.003
  160    HD2  LYS  69           HD2      LYS  69  54.401  -4.716   3.822
  161    HD3  LYS  69           HD1      LYS  69  52.699  -4.995   3.450
  162    HE2  LYS  69           HE2      LYS  69  53.164  -3.816   5.629
  163    HE3  LYS  69           HE1      LYS  69  52.145  -5.251   5.737
  164    HZ1  LYS  69           HZ1      LYS  69  53.690  -6.369   6.905
  165    HZ2  LYS  69           HZ2      LYS  69  54.241  -4.822   7.309
  166    HZ3  LYS  69           HZ3      LYS  69  54.996  -5.691   6.070
  167    H    GLN  70           HN       GLN  70  55.338  -8.094   0.301
  168    HA   GLN  70           HA       GLN  70  57.720  -7.309   1.624
  169    HB2  GLN  70           HB2      GLN  70  57.017  -9.472   0.164
  170    HB3  GLN  70           HB1      GLN  70  57.944  -8.587  -1.038
  171    HG2  GLN  70           HG2      GLN  70  59.320  -8.652   1.494
  172    HG3  GLN  70           HG1      GLN  70  58.924 -10.277   0.936
  173   HE21  GLN  70          HE21      GLN  70  60.804  -7.439   0.393
  174   HE22  GLN  70          HE22      GLN  70  61.784  -8.070  -0.882
  175    H    ILE  71           HN       ILE  71  56.282  -6.496  -1.486
  176    HA   ILE  71           HA       ILE  71  58.473  -4.943  -2.425
  177    HB   ILE  71           HB       ILE  71  55.596  -4.621  -3.270
  178   HG12  ILE  71          HG12      ILE  71  56.103  -6.987  -3.391
  179   HG13  ILE  71          HG11      ILE  71  56.104  -6.319  -5.020
  180   HG21  ILE  71          HG21      ILE  71  57.398  -2.984  -4.002
  181   HG22  ILE  71          HG22      ILE  71  56.445  -3.742  -5.277
  182   HG23  ILE  71          HG23      ILE  71  58.076  -4.318  -4.936
  183   HD11  ILE  71          HD11      ILE  71  58.139  -7.773  -3.701
  184   HD12  ILE  71          HD12      ILE  71  58.743  -6.144  -4.009
  185   HD13  ILE  71          HD13      ILE  71  58.133  -7.125  -5.341
  186    H    PHE  72           HN       PHE  72  55.663  -4.295  -0.456
  187    HA   PHE  72           HA       PHE  72  55.822  -1.450  -0.599
  188    HB2  PHE  72           HB2      PHE  72  53.729  -2.543   0.004
  189    HB3  PHE  72           HB1      PHE  72  54.482  -3.258   1.425
  190    HD1  PHE  72           HD2      PHE  72  53.839   0.074  -0.115
  191    HD2  PHE  72           HD1      PHE  72  54.239  -2.204   3.457
  192    HE1  PHE  72           HE2      PHE  72  53.200   2.044   1.208
  193    HE2  PHE  72           HE1      PHE  72  53.599  -0.236   4.788
  194    HZ   PHE  72           HZ       PHE  72  53.078   1.893   3.663
  195    H    GLU  73           HN       GLU  73  57.262  -3.915   1.416
  196    HA   GLU  73           HA       GLU  73  58.206  -2.122   3.432
  197    HB2  GLU  73           HB2      GLU  73  58.000  -4.881   3.169
  198    HB3  GLU  73           HB1      GLU  73  59.733  -4.590   3.136
  199    HG2  GLU  73           HG2      GLU  73  58.261  -3.159   5.235
  200    HG3  GLU  73           HG1      GLU  73  58.282  -4.916   5.382
  201    H    ASP  74           HN       ASP  74  59.473  -3.534   0.484
  202    HA   ASP  74           HA       ASP  74  62.121  -2.578   0.815
  203    HB2  ASP  74           HB2      ASP  74  60.556  -3.768  -1.431
  204    HB3  ASP  74           HB1      ASP  74  62.069  -2.947  -1.805
  205    H    HIS  75           HN       HIS  75  59.291  -1.407  -0.935
  206    HA   HIS  75           HA       HIS  75  60.458   0.782  -2.206
  207    HB2  HIS  75           HB2      HIS  75  58.240   0.050  -2.815
  208    HB3  HIS  75           HB1      HIS  75  57.638   0.393  -1.197
  209    HD1  HIS  75           HD1      HIS  75  57.925   1.889  -4.495
  210    HD2  HIS  75           HD2      HIS  75  57.764   3.268  -0.573
  211    HE1  HIS  75           HE1      HIS  75  57.297   4.337  -4.619
  212    H    VAL  76           HN       VAL  76  58.673   0.703   0.863
  213    HA   VAL  76           HA       VAL  76  59.135   3.371   1.593
  214    HB   VAL  76           HB       VAL  76  58.809   0.999   3.442
  215   HG11  VAL  76          HG11      VAL  76  57.736   3.601   4.246
  216   HG12  VAL  76          HG12      VAL  76  59.494   3.555   4.118
  217   HG13  VAL  76          HG13      VAL  76  58.656   2.417   5.174
  218   HG21  VAL  76          HG21      VAL  76  56.578   1.012   3.100
  219   HG22  VAL  76          HG22      VAL  76  57.035   1.703   1.543
  220   HG23  VAL  76          HG23      VAL  76  56.517   2.758   2.857
  221    H    PHE  77           HN       PHE  77  60.969   0.423   2.089
  222    HA   PHE  77           HA       PHE  77  62.934   1.356   3.832
  223    HB2  PHE  77           HB2      PHE  77  62.659  -1.026   3.187
  224    HB3  PHE  77           HB1      PHE  77  63.283  -0.646   1.585
  225    HD1  PHE  77           HD1      PHE  77  65.647   0.318   1.441
  226    HD2  PHE  77           HD2      PHE  77  64.103  -1.607   4.908
  227    HE1  PHE  77           HE1      PHE  77  67.940  -0.074   2.240
  228    HE2  PHE  77           HE2      PHE  77  66.394  -2.001   5.714
  229    HZ   PHE  77           HZ       PHE  77  68.317  -1.235   4.379
  230    H    CYS  78           HN       CYS  78  62.477   1.818   0.401
  231    HA   CYS  78           HA       CYS  78  65.062   2.795  -0.170
  232    HB2  CYS  78           HB2      CYS  78  63.416   2.054  -1.908
  233    HB3  CYS  78           HB1      CYS  78  62.484   3.511  -1.580
  234    HG   CYS  78           HG       CYS  78  64.430   3.500  -3.627
  235    H    HIS  79           HN       HIS  79  62.031   4.412   0.655
  236    HA   HIS  79           HA       HIS  79  63.069   7.038   0.646
  237    HB2  HIS  79           HB2      HIS  79  60.781   5.821   2.209
  238    HB3  HIS  79           HB1      HIS  79  61.146   7.542   2.192
  239    HD1  HIS  79           HD1      HIS  79  60.931   8.701  -0.283
  240    HD2  HIS  79           HD2      HIS  79  59.183   4.970   0.236
  241    HE1  HIS  79           HE1      HIS  79  59.275   8.423  -2.177
  242    H    SER  80           HN       SER  80  63.500   4.355   2.711
  243    HA   SER  80           HA       SER  80  64.155   5.809   5.093
  244    HB2  SER  80           HB2      SER  80  63.464   3.239   4.641
  245    HB3  SER  80           HB1      SER  80  65.216   3.069   4.749
  246    HG   SER  80           HG       SER  80  63.871   2.958   6.768
  247    H    LEU  81           HN       LEU  81  65.799   5.140   2.203
  248    HA   LEU  81           HA       LEU  81  68.442   5.081   3.300
  249    HB2  LEU  81           HB2      LEU  81  67.565   5.564   0.461
  250    HB3  LEU  81           HB1      LEU  81  69.189   5.155   0.991
  251    HG   LEU  81           HG       LEU  81  66.975   3.310   1.707
  252   HD11  LEU  81          HD11      LEU  81  68.289   3.293  -1.010
  253   HD12  LEU  81          HD12      LEU  81  66.655   3.881  -0.702
  254   HD13  LEU  81          HD13      LEU  81  67.052   2.187  -0.412
  255   HD21  LEU  81          HD21      LEU  81  69.807   2.803   0.805
  256   HD22  LEU  81          HD22      LEU  81  68.699   1.651   1.552
  257   HD23  LEU  81          HD23      LEU  81  69.320   3.011   2.487
  Start of MODEL   17
    1    H1   GLN  49           HT1      GLN  49  36.964   5.155   2.082
    2    H2   GLN  49           HT2      GLN  49  38.123   5.111   0.816
    3    H3   GLN  49           HT3      GLN  49  38.590   5.599   2.394
    4    HA   GLN  49           HA       GLN  49  37.955   3.384   3.188
    5    HB2  GLN  49           HB2      GLN  49  37.030   3.267   0.469
    6    HB3  GLN  49           HB1      GLN  49  38.217   1.996   0.733
    7    HG2  GLN  49           HG2      GLN  49  36.789   0.785   1.919
    8    HG3  GLN  49           HG1      GLN  49  36.334   2.164   2.918
    9   HE21  GLN  49          HE21      GLN  49  34.596   0.121   1.984
   10   HE22  GLN  49          HE22      GLN  49  33.418   0.864   0.963
   11    H    MET  50           HN       MET  50  39.623   1.782   3.359
   12    HA   MET  50           HA       MET  50  42.192   2.709   2.257
   13    HB2  MET  50           HB2      MET  50  41.366   1.778   4.917
   14    HB3  MET  50           HB1      MET  50  42.855   1.047   4.336
   15    HG2  MET  50           HG2      MET  50  43.650   2.888   5.437
   16    HG3  MET  50           HG1      MET  50  43.525   3.498   3.788
   17    HE1  MET  50           HE1      MET  50  40.270   3.487   6.658
   18    HE2  MET  50           HE2      MET  50  41.383   4.533   7.539
   19    HE3  MET  50           HE3      MET  50  41.902   2.927   7.026
   20    H    GLN  51           HN       GLN  51  40.102  -0.054   2.749
   21    HA   GLN  51           HA       GLN  51  40.085  -2.144   1.855
   22    HB2  GLN  51           HB2      GLN  51  41.547  -0.516  -0.122
   23    HB3  GLN  51           HB1      GLN  51  41.817  -2.250  -0.241
   24    HG2  GLN  51           HG2      GLN  51  40.031  -1.716  -1.694
   25    HG3  GLN  51           HG1      GLN  51  39.337  -2.546  -0.301
   26   HE21  GLN  51          HE21      GLN  51  38.986   0.012  -2.335
   27   HE22  GLN  51          HE22      GLN  51  37.981   1.023  -1.359
   28    HA   PRO  52           HA       PRO  52  43.734  -3.653   4.050
   29    HB2  PRO  52           HB2      PRO  52  42.703  -6.024   4.788
   30    HB3  PRO  52           HB1      PRO  52  42.258  -4.516   5.596
   31    HG2  PRO  52           HG2      PRO  52  40.771  -6.056   3.505
   32    HG3  PRO  52           HG1      PRO  52  40.151  -5.269   4.968
   33    HD2  PRO  52           HD2      PRO  52  39.992  -4.165   2.470
   34    HD3  PRO  52           HD1      PRO  52  40.055  -3.209   3.965
   35    H    LEU  53           HN       LEU  53  42.433  -4.577   1.118
   36    HA   LEU  53           HA       LEU  53  43.994  -6.984   0.761
   37    HB2  LEU  53           HB2      LEU  53  41.685  -6.100  -0.353
   38    HB3  LEU  53           HB1      LEU  53  42.833  -5.651  -1.599
   39    HG   LEU  53           HG       LEU  53  43.599  -8.208  -1.142
   40   HD11  LEU  53          HD11      LEU  53  41.611  -9.596  -0.948
   41   HD12  LEU  53          HD12      LEU  53  40.612  -8.157  -0.743
   42   HD13  LEU  53          HD13      LEU  53  41.808  -8.581   0.481
   43   HD21  LEU  53          HD21      LEU  53  41.777  -8.624  -3.065
   44   HD22  LEU  53          HD22      LEU  53  43.302  -7.784  -3.342
   45   HD23  LEU  53          HD23      LEU  53  41.822  -6.861  -3.077
   46    H    CYS  54           HN       CYS  54  44.969  -3.944   1.012
   47    HA   CYS  54           HA       CYS  54  47.269  -4.374  -0.701
   48    HB2  CYS  54           HB2      CYS  54  45.596  -1.867  -0.990
   49    HB3  CYS  54           HB1      CYS  54  47.095  -2.225  -1.838
   50    HG   CYS  54           HG       CYS  54  44.745  -2.722  -3.181
   51    H    PHE  55           HN       PHE  55  48.559  -2.044  -0.519
   52    HA   PHE  55           HA       PHE  55  48.485  -1.128   2.250
   53    HB2  PHE  55           HB2      PHE  55  51.034  -2.155   0.985
   54    HB3  PHE  55           HB1      PHE  55  50.838  -1.546   2.625
   55    HD1  PHE  55           HD1      PHE  55  48.770  -2.841   3.875
   56    HD2  PHE  55           HD2      PHE  55  51.294  -4.417   0.833
   57    HE1  PHE  55           HE1      PHE  55  48.293  -5.122   4.666
   58    HE2  PHE  55           HE2      PHE  55  50.820  -6.700   1.617
   59    HZ   PHE  55           HZ       PHE  55  49.318  -7.055   3.536
   60    H    ASN  56           HN       ASN  56  48.739   1.010   2.338
   61    HA   ASN  56           HA       ASN  56  49.752   2.377  -0.054
   62    HB2  ASN  56           HB2      ASN  56  48.184   3.570   2.238
   63    HB3  ASN  56           HB1      ASN  56  48.528   4.319   0.682
   64   HD21  ASN  56          HD21      ASN  56  46.072   4.485   1.029
   65   HD22  ASN  56          HD22      ASN  56  45.134   3.235   0.294
   66    H    CYS  57           HN       CYS  57  51.541   3.600  -0.013
   67    HA   CYS  57           HA       CYS  57  53.255   3.492   2.276
   68    HB2  CYS  57           HB2      CYS  57  54.316   3.388   0.147
   69    HB3  CYS  57           HB1      CYS  57  53.483   4.829  -0.420
   70    HA   PRO  58           HA       PRO  58  51.372   7.169   4.057
   71    HB2  PRO  58           HB2      PRO  58  52.855   7.191   6.331
   72    HB3  PRO  58           HB1      PRO  58  51.478   6.111   6.086
   73    HG2  PRO  58           HG2      PRO  58  54.404   5.549   5.781
   74    HG3  PRO  58           HG1      PRO  58  53.148   4.557   6.545
   75    HD2  PRO  58           HD2      PRO  58  54.050   4.070   4.046
   76    HD3  PRO  58           HD1      PRO  58  52.368   3.761   4.524
   77    H    ILE  59           HN       ILE  59  54.647   6.735   3.082
   78    HA   ILE  59           HA       ILE  59  55.532   9.335   3.936
   79    HB   ILE  59           HB       ILE  59  56.873   7.553   1.909
   80   HG12  ILE  59          HG12      ILE  59  58.227   7.283   4.315
   81   HG13  ILE  59          HG11      ILE  59  56.534   7.245   4.797
   82   HG21  ILE  59          HG21      ILE  59  57.825   9.701   1.828
   83   HG22  ILE  59          HG22      ILE  59  58.905   8.760   2.854
   84   HG23  ILE  59          HG23      ILE  59  57.760   9.886   3.579
   85   HD11  ILE  59          HD11      ILE  59  57.723   5.040   4.232
   86   HD12  ILE  59          HD12      ILE  59  57.518   5.537   2.553
   87   HD13  ILE  59          HD13      ILE  59  56.106   5.320   3.585
   88    H    CYS  60           HN       CYS  60  54.889   7.885   0.705
   89    HA   CYS  60           HA       CYS  60  54.570  10.651  -0.275
   90    HB2  CYS  60           HB2      CYS  60  55.260   9.956  -2.437
   91    HB3  CYS  60           HB1      CYS  60  56.410   9.266  -1.298
   92    H    ASP  61           HN       ASP  61  52.762   8.060   0.647
   93    HA   ASP  61           HA       ASP  61  50.516   7.690   0.512
   94    HB2  ASP  61           HB2      ASP  61  50.577  10.271  -0.154
   95    HB3  ASP  61           HB1      ASP  61  50.094   9.622  -1.718
   96    H    LYS  62           HN       LYS  62  52.468   6.275  -1.009
   97    HA   LYS  62           HA       LYS  62  51.358   5.787  -3.622
   98    HB2  LYS  62           HB2      LYS  62  53.820   5.255  -2.312
   99    HB3  LYS  62           HB1      LYS  62  53.157   3.710  -2.826
  100    HG2  LYS  62           HG2      LYS  62  53.117   5.905  -4.805
  101    HG3  LYS  62           HG1      LYS  62  54.690   5.223  -4.390
  102    HD2  LYS  62           HD2      LYS  62  53.249   2.963  -4.721
  103    HD3  LYS  62           HD1      LYS  62  52.434   4.030  -5.865
  104    HE2  LYS  62           HE2      LYS  62  55.014   4.573  -6.443
  105    HE3  LYS  62           HE1      LYS  62  55.150   2.890  -5.934
  106    HZ1  LYS  62           HZ1      LYS  62  53.630   2.219  -7.594
  107    HZ2  LYS  62           HZ2      LYS  62  54.729   3.252  -8.359
  108    HZ3  LYS  62           HZ3      LYS  62  53.186   3.813  -7.954
  109    H    ILE  63           HN       ILE  63  51.320   3.164  -4.055
  110    HA   ILE  63           HA       ILE  63  49.755   1.860  -1.969
  111    HB   ILE  63           HB       ILE  63  48.673   2.163  -4.768
  112   HG12  ILE  63          HG12      ILE  63  47.783   3.483  -2.195
  113   HG13  ILE  63          HG11      ILE  63  48.571   4.290  -3.546
  114   HG21  ILE  63          HG21      ILE  63  47.619   0.273  -4.158
  115   HG22  ILE  63          HG22      ILE  63  46.602   1.361  -3.211
  116   HG23  ILE  63          HG23      ILE  63  47.950   0.520  -2.443
  117   HD11  ILE  63          HD11      ILE  63  46.238   2.880  -4.444
  118   HD12  ILE  63          HD12      ILE  63  46.633   4.595  -4.563
  119   HD13  ILE  63          HD13      ILE  63  45.839   3.971  -3.117
  120    H    PHE  64           HN       PHE  64  49.735  -0.371  -2.087
  121    HA   PHE  64           HA       PHE  64  50.967  -1.704  -4.355
  122    HB2  PHE  64           HB2      PHE  64  52.138  -1.735  -1.574
  123    HB3  PHE  64           HB1      PHE  64  52.511  -2.965  -2.777
  124    HD1  PHE  64           HD1      PHE  64  52.698   0.670  -2.094
  125    HD2  PHE  64           HD2      PHE  64  54.153  -2.600  -4.396
  126    HE1  PHE  64           HE1      PHE  64  54.488   2.101  -2.987
  127    HE2  PHE  64           HE2      PHE  64  55.946  -1.174  -5.294
  128    HZ   PHE  64           HZ       PHE  64  56.115   1.178  -4.587
  129    HA   PRO  65           HA       PRO  65  47.616  -4.496  -3.401
  130    HB2  PRO  65           HB2      PRO  65  48.879  -6.730  -4.559
  131    HB3  PRO  65           HB1      PRO  65  47.747  -5.634  -5.353
  132    HG2  PRO  65           HG2      PRO  65  50.716  -5.683  -5.446
  133    HG3  PRO  65           HG1      PRO  65  49.558  -5.209  -6.699
  134    HD2  PRO  65           HD2      PRO  65  50.983  -3.389  -5.333
  135    HD3  PRO  65           HD1      PRO  65  49.307  -3.073  -5.833
  136    H    ALA  66           HN       ALA  66  47.184  -6.189  -1.978
  137    HA   ALA  66           HA       ALA  66  48.849  -6.401   0.248
  138    HB1  ALA  66           HB1      ALA  66  46.661  -6.856   0.754
  139    HB2  ALA  66           HB2      ALA  66  47.326  -8.488   0.697
  140    HB3  ALA  66           HB3      ALA  66  46.422  -7.856  -0.679
  141    H    THR  67           HN       THR  67  48.748  -8.262  -2.684
  142    HA   THR  67           HA       THR  67  50.243 -10.485  -1.653
  143    HB   THR  67           HB       THR  67  50.501 -10.795  -4.295
  144    HG1  THR  67           HG1      THR  67  49.588  -8.832  -4.864
  145   HG21  THR  67          HG21      THR  67  48.171 -11.799  -4.320
  146   HG22  THR  67          HG22      THR  67  48.057 -11.291  -2.636
  147   HG23  THR  67          HG23      THR  67  49.308 -12.431  -3.130
  148    H    GLU  68           HN       GLU  68  50.996  -7.378  -2.900
  149    HA   GLU  68           HA       GLU  68  53.740  -8.158  -3.488
  150    HB2  GLU  68           HB2      GLU  68  52.132  -5.691  -4.079
  151    HB3  GLU  68           HB1      GLU  68  53.883  -5.696  -4.232
  152    HG2  GLU  68           HG2      GLU  68  53.693  -7.584  -5.819
  153    HG3  GLU  68           HG1      GLU  68  51.938  -7.440  -5.726
  154    H    LYS  69           HN       LYS  69  52.830  -8.177  -0.773
  155    HA   LYS  69           HA       LYS  69  53.432  -5.909   0.706
  156    HB2  LYS  69           HB2      LYS  69  52.441  -8.113   1.516
  157    HB3  LYS  69           HB1      LYS  69  54.093  -8.709   1.606
  158    HG2  LYS  69           HG2      LYS  69  53.480  -6.152   2.973
  159    HG3  LYS  69           HG1      LYS  69  52.862  -7.640   3.689
  160    HD2  LYS  69           HD2      LYS  69  55.625  -7.920   2.868
  161    HD3  LYS  69           HD1      LYS  69  55.414  -6.574   3.990
  162    HE2  LYS  69           HE2      LYS  69  54.084  -9.160   4.618
  163    HE3  LYS  69           HE1      LYS  69  55.829  -9.043   4.841
  164    HZ1  LYS  69           HZ1      LYS  69  54.172  -8.408   6.748
  165    HZ2  LYS  69           HZ2      LYS  69  54.145  -6.918   5.949
  166    HZ3  LYS  69           HZ3      LYS  69  55.608  -7.543   6.523
  167    H    GLN  70           HN       GLN  70  55.544  -8.140  -0.901
  168    HA   GLN  70           HA       GLN  70  57.923  -7.526   0.516
  169    HB2  GLN  70           HB2      GLN  70  57.572  -9.541  -0.938
  170    HB3  GLN  70           HB1      GLN  70  57.693  -8.482  -2.338
  171    HG2  GLN  70           HG2      GLN  70  59.955  -7.879  -0.893
  172    HG3  GLN  70           HG1      GLN  70  59.778  -9.619  -0.671
  173   HE21  GLN  70          HE21      GLN  70  59.899  -7.084  -3.119
  174   HE22  GLN  70          HE22      GLN  70  60.566  -8.071  -4.370
  175    H    ILE  71           HN       ILE  71  56.614  -6.382  -2.569
  176    HA   ILE  71           HA       ILE  71  58.688  -4.522  -3.078
  177    HB   ILE  71           HB       ILE  71  55.854  -4.393  -4.113
  178   HG12  ILE  71          HG12      ILE  71  57.991  -5.589  -5.774
  179   HG13  ILE  71          HG11      ILE  71  57.465  -6.557  -4.401
  180   HG21  ILE  71          HG21      ILE  71  56.626  -2.989  -5.781
  181   HG22  ILE  71          HG22      ILE  71  58.301  -3.498  -5.578
  182   HG23  ILE  71          HG23      ILE  71  57.547  -2.446  -4.379
  183   HD11  ILE  71          HD11      ILE  71  56.282  -6.419  -6.900
  184   HD12  ILE  71          HD12      ILE  71  55.213  -5.490  -5.849
  185   HD13  ILE  71          HD13      ILE  71  55.611  -7.161  -5.447
  186    H    PHE  72           HN       PHE  72  55.696  -4.373  -1.281
  187    HA   PHE  72           HA       PHE  72  55.558  -1.547  -1.052
  188    HB2  PHE  72           HB2      PHE  72  53.580  -2.888  -0.664
  189    HB3  PHE  72           HB1      PHE  72  54.372  -3.747   0.652
  190    HD1  PHE  72           HD2      PHE  72  53.392  -0.301  -0.368
  191    HD2  PHE  72           HD1      PHE  72  54.019  -3.050   2.819
  192    HE1  PHE  72           HE2      PHE  72  52.525   1.358   1.229
  193    HE2  PHE  72           HE1      PHE  72  53.154  -1.396   4.422
  194    HZ   PHE  72           HZ       PHE  72  52.406   0.812   3.628
  195    H    GLU  73           HN       GLU  73  57.137  -4.076   0.800
  196    HA   GLU  73           HA       GLU  73  57.861  -2.395   2.995
  197    HB2  GLU  73           HB2      GLU  73  58.368  -5.178   2.148
  198    HB3  GLU  73           HB1      GLU  73  59.655  -4.444   3.095
  199    HG2  GLU  73           HG2      GLU  73  57.836  -3.798   4.757
  200    HG3  GLU  73           HG1      GLU  73  56.803  -4.926   3.879
  201    H    ASP  74           HN       ASP  74  59.302  -3.368  -0.041
  202    HA   ASP  74           HA       ASP  74  61.877  -2.303   0.485
  203    HB2  ASP  74           HB2      ASP  74  61.334  -4.032  -1.273
  204    HB3  ASP  74           HB1      ASP  74  60.616  -2.735  -2.225
  205    H    HIS  75           HN       HIS  75  59.013  -1.097  -1.189
  206    HA   HIS  75           HA       HIS  75  60.042   1.314  -2.131
  207    HB2  HIS  75           HB2      HIS  75  57.876   0.529  -2.861
  208    HB3  HIS  75           HB1      HIS  75  57.247   0.621  -1.219
  209    HD1  HIS  75           HD1      HIS  75  57.429   2.541  -4.293
  210    HD2  HIS  75           HD2      HIS  75  57.208   3.401  -0.228
  211    HE1  HIS  75           HE1      HIS  75  56.640   4.939  -4.107
  212    H    VAL  76           HN       VAL  76  58.249   0.702   0.870
  213    HA   VAL  76           HA       VAL  76  58.546   3.271   1.966
  214    HB   VAL  76           HB       VAL  76  58.331   0.654   3.468
  215   HG11  VAL  76          HG11      VAL  76  58.073   1.817   5.368
  216   HG12  VAL  76          HG12      VAL  76  57.086   3.054   4.589
  217   HG13  VAL  76          HG13      VAL  76  58.845   3.137   4.490
  218   HG21  VAL  76          HG21      VAL  76  55.932   2.312   3.113
  219   HG22  VAL  76          HG22      VAL  76  56.128   0.560   3.032
  220   HG23  VAL  76          HG23      VAL  76  56.542   1.560   1.639
  221    H    PHE  77           HN       PHE  77  60.559   0.405   2.033
  222    HA   PHE  77           HA       PHE  77  62.432   1.162   3.956
  223    HB2  PHE  77           HB2      PHE  77  62.222  -0.846   1.884
  224    HB3  PHE  77           HB1      PHE  77  63.860  -0.206   1.952
  225    HD1  PHE  77           HD1      PHE  77  64.545   0.200   4.615
  226    HD2  PHE  77           HD2      PHE  77  61.986  -2.808   3.031
  227    HE1  PHE  77           HE1      PHE  77  65.026  -1.227   6.561
  228    HE2  PHE  77           HE2      PHE  77  62.461  -4.241   4.974
  229    HZ   PHE  77           HZ       PHE  77  63.982  -3.451   6.742
  230    H    CYS  78           HN       CYS  78  62.011   2.134   0.625
  231    HA   CYS  78           HA       CYS  78  64.550   3.349   0.321
  232    HB2  CYS  78           HB2      CYS  78  62.179   3.040  -1.262
  233    HB3  CYS  78           HB1      CYS  78  62.670   4.730  -1.297
  234    HG   CYS  78           HG       CYS  78  64.423   2.383  -2.333
  235    H    HIS  79           HN       HIS  79  61.378   4.584   1.245
  236    HA   HIS  79           HA       HIS  79  62.191   7.262   1.642
  237    HB2  HIS  79           HB2      HIS  79  59.951   5.644   2.874
  238    HB3  HIS  79           HB1      HIS  79  60.174   7.365   3.164
  239    HD1  HIS  79           HD1      HIS  79  59.867   8.940   0.992
  240    HD2  HIS  79           HD2      HIS  79  58.634   4.994   0.610
  241    HE1  HIS  79           HE1      HIS  79  58.355   8.862  -1.035
  242    H    SER  80           HN       SER  80  62.786   4.354   3.324
  243    HA   SER  80           HA       SER  80  63.219   5.499   5.919
  244    HB2  SER  80           HB2      SER  80  62.691   3.012   5.211
  245    HB3  SER  80           HB1      SER  80  64.448   2.900   5.111
  246    HG   SER  80           HG       SER  80  63.018   3.828   7.380
  247    H    LEU  81           HN       LEU  81  65.019   5.361   3.044
  248    HA   LEU  81           HA       LEU  81  67.616   5.367   4.233
  249    HB2  LEU  81           HB2      LEU  81  66.786   6.191   1.459
  250    HB3  LEU  81           HB1      LEU  81  68.423   5.839   1.992
  251    HG   LEU  81           HG       LEU  81  66.346   3.744   2.339
  252   HD11  LEU  81          HD11      LEU  81  67.761   4.202  -0.285
  253   HD12  LEU  81          HD12      LEU  81  66.082   4.647   0.019
  254   HD13  LEU  81          HD13      LEU  81  66.572   2.954   0.092
  255   HD21  LEU  81          HD21      LEU  81  68.777   3.636   3.118
  256   HD22  LEU  81          HD22      LEU  81  69.189   3.462   1.412
  257   HD23  LEU  81          HD23      LEU  81  68.158   2.265   2.196
  Start of MODEL   18
    1    H1   GLN  49           HT1      GLN  49  32.813  -3.053   8.767
    2    H2   GLN  49           HT2      GLN  49  32.870  -3.206   7.059
    3    H3   GLN  49           HT3      GLN  49  32.750  -1.653   7.780
    4    HA   GLN  49           HA       GLN  49  34.887  -1.760   8.629
    5    HB2  GLN  49           HB2      GLN  49  36.244  -3.786   8.469
    6    HB3  GLN  49           HB1      GLN  49  34.754  -4.107   9.346
    7    HG2  GLN  49           HG2      GLN  49  33.798  -5.025   7.235
    8    HG3  GLN  49           HG1      GLN  49  35.392  -4.853   6.504
    9   HE21  GLN  49          HE21      GLN  49  37.182  -5.855   7.904
   10   HE22  GLN  49          HE22      GLN  49  36.852  -7.436   8.517
   11    H    MET  50           HN       MET  50  36.076  -0.545   7.320
   12    HA   MET  50           HA       MET  50  35.936  -0.994   4.437
   13    HB2  MET  50           HB2      MET  50  36.291   1.319   6.170
   14    HB3  MET  50           HB1      MET  50  37.475   1.280   4.871
   15    HG2  MET  50           HG2      MET  50  35.674   1.106   3.232
   16    HG3  MET  50           HG1      MET  50  34.488   1.143   4.534
   17    HE1  MET  50           HE1      MET  50  33.273   3.876   3.434
   18    HE2  MET  50           HE2      MET  50  34.013   2.675   2.374
   19    HE3  MET  50           HE3      MET  50  34.506   4.365   2.270
   20    H    GLN  51           HN       GLN  51  37.397  -2.384   3.682
   21    HA   GLN  51           HA       GLN  51  40.134  -2.273   4.758
   22    HB2  GLN  51           HB2      GLN  51  38.483  -4.493   3.619
   23    HB3  GLN  51           HB1      GLN  51  40.235  -4.573   3.491
   24    HG2  GLN  51           HG2      GLN  51  39.285  -3.902   6.166
   25    HG3  GLN  51           HG1      GLN  51  38.749  -5.480   5.591
   26   HE21  GLN  51          HE21      GLN  51  41.069  -3.998   7.301
   27   HE22  GLN  51          HE22      GLN  51  42.384  -5.092   7.054
   28    HA   PRO  52           HA       PRO  52  40.719  -0.128   0.746
   29    HB2  PRO  52           HB2      PRO  52  43.458  -0.138   1.932
   30    HB3  PRO  52           HB1      PRO  52  42.580   1.177   1.140
   31    HG2  PRO  52           HG2      PRO  52  42.825   1.120   3.788
   32    HG3  PRO  52           HG1      PRO  52  41.311   1.644   3.027
   33    HD2  PRO  52           HD2      PRO  52  41.958  -0.928   4.391
   34    HD3  PRO  52           HD1      PRO  52  40.429  -0.028   4.341
   35    H    LEU  53           HN       LEU  53  42.548  -2.757   2.191
   36    HA   LEU  53           HA       LEU  53  43.650  -4.543   1.312
   37    HB2  LEU  53           HB2      LEU  53  41.444  -3.981  -0.557
   38    HB3  LEU  53           HB1      LEU  53  42.741  -4.955  -1.223
   39    HG   LEU  53           HG       LEU  53  42.200  -6.102   1.270
   40   HD11  LEU  53          HD11      LEU  53  39.688  -5.230  -0.131
   41   HD12  LEU  53          HD12      LEU  53  40.134  -5.014   1.562
   42   HD13  LEU  53          HD13      LEU  53  39.739  -6.621   0.953
   43   HD21  LEU  53          HD21      LEU  53  41.135  -7.890  -0.230
   44   HD22  LEU  53          HD22      LEU  53  42.825  -7.471  -0.512
   45   HD23  LEU  53          HD23      LEU  53  41.569  -6.829  -1.570
   46    H    CYS  54           HN       CYS  54  45.106  -2.251   1.172
   47    HA   CYS  54           HA       CYS  54  46.979  -2.842  -0.863
   48    HB2  CYS  54           HB2      CYS  54  44.934  -0.811  -1.457
   49    HB3  CYS  54           HB1      CYS  54  46.588  -0.267  -1.716
   50    HG   CYS  54           HG       CYS  54  46.481  -1.430  -3.854
   51    H    PHE  55           HN       PHE  55  48.560  -0.810  -1.069
   52    HA   PHE  55           HA       PHE  55  48.811   0.605   1.466
   53    HB2  PHE  55           HB2      PHE  55  50.780  -1.426   0.443
   54    HB3  PHE  55           HB1      PHE  55  51.303  -0.100   1.474
   55    HD1  PHE  55           HD1      PHE  55  50.089   0.172   3.725
   56    HD2  PHE  55           HD2      PHE  55  49.952  -3.376   1.380
   57    HE1  PHE  55           HE1      PHE  55  49.430  -1.115   5.717
   58    HE2  PHE  55           HE2      PHE  55  49.293  -4.670   3.365
   59    HZ   PHE  55           HZ       PHE  55  49.031  -3.538   5.538
   60    H    ASN  56           HN       ASN  56  49.516   2.633   1.151
   61    HA   ASN  56           HA       ASN  56  50.572   3.300  -1.509
   62    HB2  ASN  56           HB2      ASN  56  49.338   5.162   0.530
   63    HB3  ASN  56           HB1      ASN  56  49.763   5.554  -1.134
   64   HD21  ASN  56          HD21      ASN  56  47.785   6.060  -1.892
   65   HD22  ASN  56          HD22      ASN  56  46.466   4.950  -1.985
   66    H    CYS  57           HN       CYS  57  52.524   4.199  -1.770
   67    HA   CYS  57           HA       CYS  57  54.355   4.222   0.429
   68    HB2  CYS  57           HB2      CYS  57  55.143   3.538  -1.754
   69    HB3  CYS  57           HB1      CYS  57  54.665   5.080  -2.449
   70    HA   PRO  58           HA       PRO  58  53.568   8.511   1.411
   71    HB2  PRO  58           HB2      PRO  58  55.028   8.660   3.637
   72    HB3  PRO  58           HB1      PRO  58  53.544   7.700   3.580
   73    HG2  PRO  58           HG2      PRO  58  56.391   6.800   3.410
   74    HG3  PRO  58           HG1      PRO  58  55.033   6.063   4.278
   75    HD2  PRO  58           HD2      PRO  58  55.959   5.238   1.804
   76    HD3  PRO  58           HD1      PRO  58  54.333   4.919   2.435
   77    H    ILE  59           HN       ILE  59  55.943   7.618  -0.396
   78    HA   ILE  59           HA       ILE  59  57.538  10.042   0.089
   79    HB   ILE  59           HB       ILE  59  58.676   7.456  -0.971
   80   HG12  ILE  59          HG12      ILE  59  59.949   7.779   1.359
   81   HG13  ILE  59          HG11      ILE  59  58.425   8.548   1.788
   82   HG21  ILE  59          HG21      ILE  59  60.038   9.110  -1.815
   83   HG22  ILE  59          HG22      ILE  59  60.821   8.771  -0.271
   84   HG23  ILE  59          HG23      ILE  59  59.772  10.180  -0.438
   85   HD11  ILE  59          HD11      ILE  59  57.255   6.484   1.075
   86   HD12  ILE  59          HD12      ILE  59  58.347   6.255   2.441
   87   HD13  ILE  59          HD13      ILE  59  58.829   5.729   0.827
   88    H    CYS  60           HN       CYS  60  56.815   7.560  -2.407
   89    HA   CYS  60           HA       CYS  60  56.923   9.755  -4.378
   90    HB2  CYS  60           HB2      CYS  60  57.657   8.236  -6.043
   91    HB3  CYS  60           HB1      CYS  60  58.635   7.915  -4.616
   92    H    ASP  61           HN       ASP  61  54.819   7.697  -2.800
   93    HA   ASP  61           HA       ASP  61  52.526   7.658  -2.962
   94    HB2  ASP  61           HB2      ASP  61  52.977   9.617  -4.745
   95    HB3  ASP  61           HB1      ASP  61  52.399   8.364  -5.839
   96    H    LYS  62           HN       LYS  62  54.724   5.754  -4.216
   97    HA   LYS  62           HA       LYS  62  53.381   4.195  -6.135
   98    HB2  LYS  62           HB2      LYS  62  55.805   3.954  -4.508
   99    HB3  LYS  62           HB1      LYS  62  55.040   2.410  -4.849
  100    HG2  LYS  62           HG2      LYS  62  55.259   4.159  -7.180
  101    HG3  LYS  62           HG1      LYS  62  56.809   3.689  -6.481
  102    HD2  LYS  62           HD2      LYS  62  55.283   1.350  -6.503
  103    HD3  LYS  62           HD1      LYS  62  54.945   2.131  -8.048
  104    HE2  LYS  62           HE2      LYS  62  57.015   1.750  -8.829
  105    HE3  LYS  62           HE1      LYS  62  57.773   2.145  -7.288
  106    HZ1  LYS  62           HZ1      LYS  62  57.136  -0.059  -6.478
  107    HZ2  LYS  62           HZ2      LYS  62  58.140  -0.159  -7.835
  108    HZ3  LYS  62           HZ3      LYS  62  56.479  -0.433  -7.993
  109    H    ILE  63           HN       ILE  63  51.770   2.749  -5.943
  110    HA   ILE  63           HA       ILE  63  51.043   1.888  -3.220
  111    HB   ILE  63           HB       ILE  63  49.143   2.084  -5.549
  112   HG12  ILE  63          HG12      ILE  63  48.452   4.086  -3.775
  113   HG13  ILE  63          HG11      ILE  63  50.210   4.173  -3.794
  114   HG21  ILE  63          HG21      ILE  63  48.580   0.552  -3.671
  115   HG22  ILE  63          HG22      ILE  63  47.420   1.860  -3.903
  116   HG23  ILE  63          HG23      ILE  63  48.596   1.946  -2.590
  117   HD11  ILE  63          HD11      ILE  63  49.535   5.646  -5.458
  118   HD12  ILE  63          HD12      ILE  63  48.290   4.549  -6.056
  119   HD13  ILE  63          HD13      ILE  63  49.993   4.189  -6.340
  120    H    PHE  64           HN       PHE  64  50.425  -0.218  -2.856
  121    HA   PHE  64           HA       PHE  64  50.577  -2.120  -5.070
  122    HB2  PHE  64           HB2      PHE  64  51.862  -3.051  -2.576
  123    HB3  PHE  64           HB1      PHE  64  52.294  -3.366  -4.251
  124    HD1  PHE  64           HD1      PHE  64  52.329  -0.603  -1.749
  125    HD2  PHE  64           HD2      PHE  64  54.228  -2.449  -5.079
  126    HE1  PHE  64           HE1      PHE  64  54.211   0.969  -1.544
  127    HE2  PHE  64           HE2      PHE  64  56.113  -0.881  -4.881
  128    HZ   PHE  64           HZ       PHE  64  56.107   0.828  -3.109
  129    HA   PRO  65           HA       PRO  65  47.259  -4.283  -3.141
  130    HB2  PRO  65           HB2      PRO  65  48.758  -6.807  -2.905
  131    HB3  PRO  65           HB1      PRO  65  47.320  -6.442  -3.862
  132    HG2  PRO  65           HG2      PRO  65  49.727  -6.821  -4.998
  133    HG3  PRO  65           HG1      PRO  65  48.545  -5.674  -5.655
  134    HD2  PRO  65           HD2      PRO  65  50.992  -5.149  -4.015
  135    HD3  PRO  65           HD1      PRO  65  50.335  -4.231  -5.388
  136    H    ALA  66           HN       ALA  66  46.486  -5.322  -1.192
  137    HA   ALA  66           HA       ALA  66  47.882  -4.452   1.127
  138    HB1  ALA  66           HB1      ALA  66  45.301  -5.742   0.541
  139    HB2  ALA  66           HB2      ALA  66  45.685  -4.406   1.626
  140    HB3  ALA  66           HB3      ALA  66  45.972  -6.068   2.139
  141    H    THR  67           HN       THR  67  47.718  -7.451  -0.623
  142    HA   THR  67           HA       THR  67  48.771  -9.069   1.506
  143    HB   THR  67           HB       THR  67  49.177 -10.604  -0.649
  144    HG1  THR  67           HG1      THR  67  48.591  -9.019  -2.142
  145   HG21  THR  67          HG21      THR  67  46.941 -11.496  -0.429
  146   HG22  THR  67          HG22      THR  67  46.432 -10.056   0.453
  147   HG23  THR  67          HG23      THR  67  47.625 -11.148   1.157
  148    H    GLU  68           HN       GLU  68  50.102  -6.886  -0.715
  149    HA   GLU  68           HA       GLU  68  52.704  -8.191  -0.718
  150    HB2  GLU  68           HB2      GLU  68  51.620  -5.801  -2.199
  151    HB3  GLU  68           HB1      GLU  68  53.316  -6.260  -2.247
  152    HG2  GLU  68           HG2      GLU  68  51.413  -8.411  -2.867
  153    HG3  GLU  68           HG1      GLU  68  51.466  -7.082  -4.024
  154    H    LYS  69           HN       LYS  69  51.619  -7.087   1.739
  155    HA   LYS  69           HA       LYS  69  52.598  -4.581   2.416
  156    HB2  LYS  69           HB2      LYS  69  52.612  -5.414   4.756
  157    HB3  LYS  69           HB1      LYS  69  51.120  -5.781   3.901
  158    HG2  LYS  69           HG2      LYS  69  51.445  -7.810   4.817
  159    HG3  LYS  69           HG1      LYS  69  52.471  -8.035   3.399
  160    HD2  LYS  69           HD2      LYS  69  53.760  -8.757   5.239
  161    HD3  LYS  69           HD1      LYS  69  54.382  -7.159   4.820
  162    HE2  LYS  69           HE2      LYS  69  54.199  -6.945   7.092
  163    HE3  LYS  69           HE1      LYS  69  52.612  -6.364   6.591
  164    HZ1  LYS  69           HZ1      LYS  69  52.963  -8.231   8.439
  165    HZ2  LYS  69           HZ2      LYS  69  52.836  -9.221   7.074
  166    HZ3  LYS  69           HZ3      LYS  69  51.584  -8.152   7.461
  167    H    GLN  70           HN       GLN  70  54.271  -7.597   1.996
  168    HA   GLN  70           HA       GLN  70  56.632  -6.999   3.411
  169    HB2  GLN  70           HB2      GLN  70  55.666  -9.140   1.903
  170    HB3  GLN  70           HB1      GLN  70  57.106  -8.611   1.045
  171    HG2  GLN  70           HG2      GLN  70  57.005  -9.287   3.975
  172    HG3  GLN  70           HG1      GLN  70  57.540 -10.383   2.702
  173   HE21  GLN  70          HE21      GLN  70  58.890  -9.084   5.060
  174   HE22  GLN  70          HE22      GLN  70  60.318  -8.374   4.398
  175    H    ILE  71           HN       ILE  71  55.866  -6.704  -0.035
  176    HA   ILE  71           HA       ILE  71  58.299  -5.463  -0.762
  177    HB   ILE  71           HB       ILE  71  55.647  -5.215  -2.184
  178   HG12  ILE  71          HG12      ILE  71  57.807  -7.312  -2.491
  179   HG13  ILE  71          HG11      ILE  71  56.218  -7.574  -1.779
  180   HG21  ILE  71          HG21      ILE  71  58.436  -4.490  -2.834
  181   HG22  ILE  71          HG22      ILE  71  56.920  -3.748  -3.344
  182   HG23  ILE  71          HG23      ILE  71  57.487  -5.223  -4.127
  183   HD11  ILE  71          HD11      ILE  71  55.327  -6.761  -4.061
  184   HD12  ILE  71          HD12      ILE  71  55.972  -8.397  -3.918
  185   HD13  ILE  71          HD13      ILE  71  56.956  -7.120  -4.634
  186    H    PHE  72           HN       PHE  72  55.261  -4.258   0.466
  187    HA   PHE  72           HA       PHE  72  55.578  -1.541  -0.199
  188    HB2  PHE  72           HB2      PHE  72  53.417  -2.350   0.469
  189    HB3  PHE  72           HB1      PHE  72  54.042  -2.899   2.020
  190    HD1  PHE  72           HD1      PHE  72  54.596   0.346   0.300
  191    HD2  PHE  72           HD2      PHE  72  52.817  -1.697   3.580
  192    HE1  PHE  72           HE1      PHE  72  53.982   2.505   1.307
  193    HE2  PHE  72           HE2      PHE  72  52.199   0.457   4.593
  194    HZ   PHE  72           HZ       PHE  72  52.782   2.563   3.456
  195    H    GLU  73           HN       GLU  73  56.644  -3.446   2.565
  196    HA   GLU  73           HA       GLU  73  57.634  -1.201   4.035
  197    HB2  GLU  73           HB2      GLU  73  57.860  -4.181   4.312
  198    HB3  GLU  73           HB1      GLU  73  58.881  -3.129   5.281
  199    HG2  GLU  73           HG2      GLU  73  56.639  -1.971   5.900
  200    HG3  GLU  73           HG1      GLU  73  55.922  -3.486   5.350
  201    H    ASP  74           HN       ASP  74  58.943  -3.537   1.778
  202    HA   ASP  74           HA       ASP  74  61.660  -2.821   2.153
  203    HB2  ASP  74           HB2      ASP  74  60.130  -4.496   0.253
  204    HB3  ASP  74           HB1      ASP  74  61.666  -3.868  -0.337
  205    H    HIS  75           HN       HIS  75  59.163  -1.872  -0.147
  206    HA   HIS  75           HA       HIS  75  60.717  -0.263  -1.812
  207    HB2  HIS  75           HB2      HIS  75  58.473  -0.917  -2.443
  208    HB3  HIS  75           HB1      HIS  75  57.798  -0.052  -1.066
  209    HD1  HIS  75           HD1      HIS  75  58.416   0.358  -4.591
  210    HD2  HIS  75           HD2      HIS  75  58.376   2.853  -1.263
  211    HE1  HIS  75           HE1      HIS  75  58.183   2.722  -5.467
  212    H    VAL  76           HN       VAL  76  58.688   0.682   0.946
  213    HA   VAL  76           HA       VAL  76  59.428   3.386   1.001
  214    HB   VAL  76           HB       VAL  76  58.660   1.666   3.367
  215   HG11  VAL  76          HG11      VAL  76  59.175   3.551   4.474
  216   HG12  VAL  76          HG12      VAL  76  57.645   4.146   3.832
  217   HG13  VAL  76          HG13      VAL  76  59.156   4.533   3.011
  218   HG21  VAL  76          HG21      VAL  76  56.486   1.777   2.776
  219   HG22  VAL  76          HG22      VAL  76  57.149   1.977   1.153
  220   HG23  VAL  76          HG23      VAL  76  56.648   3.391   2.082
  221    H    PHE  77           HN       PHE  77  60.838   0.520   2.457
  222    HA   PHE  77           HA       PHE  77  62.739   1.685   4.120
  223    HB2  PHE  77           HB2      PHE  77  62.231  -0.760   4.003
  224    HB3  PHE  77           HB1      PHE  77  63.106  -0.832   2.477
  225    HD1  PHE  77           HD1      PHE  77  63.756   0.664   5.837
  226    HD2  PHE  77           HD2      PHE  77  65.158  -1.816   2.676
  227    HE1  PHE  77           HE1      PHE  77  65.856   0.294   7.064
  228    HE2  PHE  77           HE2      PHE  77  67.261  -2.191   3.897
  229    HZ   PHE  77           HZ       PHE  77  67.611  -1.136   6.096
  230    H    CYS  78           HN       CYS  78  62.697   1.206   0.652
  231    HA   CYS  78           HA       CYS  78  65.401   1.818   0.172
  232    HB2  CYS  78           HB2      CYS  78  63.104   1.233  -1.402
  233    HB3  CYS  78           HB1      CYS  78  63.805   2.725  -2.020
  234    HG   CYS  78           HG       CYS  78  64.845   0.031  -2.606
  235    H    HIS  79           HN       HIS  79  62.499   3.838   0.156
  236    HA   HIS  79           HA       HIS  79  63.820   6.265  -0.416
  237    HB2  HIS  79           HB2      HIS  79  61.261   5.711   1.100
  238    HB3  HIS  79           HB1      HIS  79  61.821   7.330   0.702
  239    HD1  HIS  79           HD1      HIS  79  61.975   7.842  -1.970
  240    HD2  HIS  79           HD2      HIS  79  59.833   4.481  -0.808
  241    HE1  HIS  79           HE1      HIS  79  60.519   7.212  -3.942
  242    H    SER  80           HN       SER  80  63.754   4.233   2.320
  243    HA   SER  80           HA       SER  80  64.333   6.233   4.293
  244    HB2  SER  80           HB2      SER  80  63.598   3.523   4.322
  245    HB3  SER  80           HB1      SER  80  65.196   3.588   5.065
  246    HG   SER  80           HG       SER  80  63.684   3.942   6.658
  247    H    LEU  81           HN       LEU  81  66.168   4.614   1.929
  248    HA   LEU  81           HA       LEU  81  68.666   4.667   3.315
  249    HB2  LEU  81           HB2      LEU  81  68.139   4.410   0.363
  250    HB3  LEU  81           HB1      LEU  81  69.640   4.025   1.189
  251    HG   LEU  81           HG       LEU  81  67.163   2.654   2.081
  252   HD11  LEU  81          HD11      LEU  81  67.230   2.599  -0.451
  253   HD12  LEU  81          HD12      LEU  81  67.225   1.031   0.357
  254   HD13  LEU  81          HD13      LEU  81  68.728   1.680  -0.301
  255   HD21  LEU  81          HD21      LEU  81  69.988   1.667   1.711
  256   HD22  LEU  81          HD22      LEU  81  68.682   0.872   2.591
  257   HD23  LEU  81          HD23      LEU  81  69.369   2.377   3.202
  Start of MODEL   19
    1    H1   GLN  49           HT1      GLN  49  39.122  -4.864  12.028
    2    H2   GLN  49           HT2      GLN  49  40.682  -4.697  11.332
    3    H3   GLN  49           HT3      GLN  49  40.387  -5.921  12.500
    4    HA   GLN  49           HA       GLN  49  40.391  -7.026  10.515
    5    HB2  GLN  49           HB2      GLN  49  37.812  -6.437  11.806
    6    HB3  GLN  49           HB1      GLN  49  37.671  -7.114  10.190
    7    HG2  GLN  49           HG2      GLN  49  38.347  -9.143  10.841
    8    HG3  GLN  49           HG1      GLN  49  39.590  -8.496  11.912
    9   HE21  GLN  49          HE21      GLN  49  37.061 -10.410  11.961
   10   HE22  GLN  49          HE22      GLN  49  36.400 -10.070  13.520
   11    H    MET  50           HN       MET  50  38.765  -3.935  10.294
   12    HA   MET  50           HA       MET  50  38.388  -4.165   7.426
   13    HB2  MET  50           HB2      MET  50  37.945  -1.743   9.173
   14    HB3  MET  50           HB1      MET  50  37.305  -2.022   7.559
   15    HG2  MET  50           HG2      MET  50  35.730  -3.533   8.296
   16    HG3  MET  50           HG1      MET  50  36.625  -3.907   9.767
   17    HE1  MET  50           HE1      MET  50  33.141  -1.189   9.418
   18    HE2  MET  50           HE2      MET  50  33.375  -2.899   9.051
   19    HE3  MET  50           HE3      MET  50  34.072  -1.667   7.998
   20    H    GLN  51           HN       GLN  51  39.621  -3.240   5.880
   21    HA   GLN  51           HA       GLN  51  41.495  -1.150   6.423
   22    HB2  GLN  51           HB2      GLN  51  42.402  -3.737   6.946
   23    HB3  GLN  51           HB1      GLN  51  43.062  -3.354   5.363
   24    HG2  GLN  51           HG2      GLN  51  43.562  -1.067   6.786
   25    HG3  GLN  51           HG1      GLN  51  43.780  -2.333   7.993
   26   HE21  GLN  51          HE21      GLN  51  45.986  -2.042   8.127
   27   HE22  GLN  51          HE22      GLN  51  47.068  -2.500   6.861
   28    HA   PRO  52           HA       PRO  52  40.913  -0.241   2.159
   29    HB2  PRO  52           HB2      PRO  52  43.866   0.134   2.015
   30    HB3  PRO  52           HB1      PRO  52  42.567   1.234   1.539
   31    HG2  PRO  52           HG2      PRO  52  43.938   1.652   3.779
   32    HG3  PRO  52           HG1      PRO  52  42.189   1.942   3.716
   33    HD2  PRO  52           HD2      PRO  52  43.695  -0.330   4.938
   34    HD3  PRO  52           HD1      PRO  52  42.216   0.478   5.500
   35    H    LEU  53           HN       LEU  53  41.848  -0.792  -0.062
   36    HA   LEU  53           HA       LEU  53  42.560  -3.632  -0.060
   37    HB2  LEU  53           HB2      LEU  53  40.536  -2.404  -1.335
   38    HB3  LEU  53           HB1      LEU  53  41.771  -2.291  -2.574
   39    HG   LEU  53           HG       LEU  53  42.072  -4.820  -2.257
   40   HD11  LEU  53          HD11      LEU  53  40.960  -5.433  -0.354
   41   HD12  LEU  53          HD12      LEU  53  39.722  -5.769  -1.564
   42   HD13  LEU  53          HD13      LEU  53  39.648  -4.283  -0.617
   43   HD21  LEU  53          HD21      LEU  53  39.741  -5.115  -3.528
   44   HD22  LEU  53          HD22      LEU  53  41.156  -4.378  -4.283
   45   HD23  LEU  53          HD23      LEU  53  39.884  -3.358  -3.610
   46    H    CYS  54           HN       CYS  54  44.280  -0.973  -0.010
   47    HA   CYS  54           HA       CYS  54  46.556  -2.065  -1.221
   48    HB2  CYS  54           HB2      CYS  54  46.828  -0.614  -3.170
   49    HB3  CYS  54           HB1      CYS  54  45.371  -1.590  -3.324
   50    HG   CYS  54           HG       CYS  54  44.165   0.745  -2.414
   51    H    PHE  55           HN       PHE  55  48.108   0.023  -1.819
   52    HA   PHE  55           HA       PHE  55  47.763   2.128   0.151
   53    HB2  PHE  55           HB2      PHE  55  50.290   0.481   0.211
   54    HB3  PHE  55           HB1      PHE  55  49.771   1.713   1.357
   55    HD1  PHE  55           HD1      PHE  55  47.892   1.234   2.907
   56    HD2  PHE  55           HD2      PHE  55  49.604  -1.768   0.425
   57    HE1  PHE  55           HE1      PHE  55  46.875  -0.506   4.318
   58    HE2  PHE  55           HE2      PHE  55  48.590  -3.514   1.831
   59    HZ   PHE  55           HZ       PHE  55  47.224  -2.884   3.780
   60    H    ASN  56           HN       ASN  56  49.823   3.604   0.055
   61    HA   ASN  56           HA       ASN  56  50.941   3.678  -2.650
   62    HB2  ASN  56           HB2      ASN  56  48.858   5.414  -1.717
   63    HB3  ASN  56           HB1      ASN  56  50.319   6.364  -1.971
   64   HD21  ASN  56          HD21      ASN  56  47.596   5.248  -3.407
   65   HD22  ASN  56          HD22      ASN  56  48.085   5.325  -5.061
   66    H    CYS  57           HN       CYS  57  53.023   4.320  -2.698
   67    HA   CYS  57           HA       CYS  57  54.399   4.760  -0.226
   68    HB2  CYS  57           HB2      CYS  57  55.514   3.490  -1.936
   69    HB3  CYS  57           HB1      CYS  57  55.320   4.788  -3.102
   70    HA   PRO  58           HA       PRO  58  53.666   9.195  -0.421
   71    HB2  PRO  58           HB2      PRO  58  54.830   9.803   1.948
   72    HB3  PRO  58           HB1      PRO  58  53.213   9.099   1.824
   73    HG2  PRO  58           HG2      PRO  58  55.824   7.756   2.415
   74    HG3  PRO  58           HG1      PRO  58  54.247   7.527   3.195
   75    HD2  PRO  58           HD2      PRO  58  55.205   5.823   1.323
   76    HD3  PRO  58           HD1      PRO  58  53.472   6.159   1.508
   77    H    ILE  59           HN       ILE  59  56.623   7.541  -0.595
   78    HA   ILE  59           HA       ILE  59  58.244   9.949  -0.571
   79    HB   ILE  59           HB       ILE  59  59.140   7.158  -1.276
   80   HG12  ILE  59          HG12      ILE  59  60.077   7.680   1.256
   81   HG13  ILE  59          HG11      ILE  59  58.467   8.390   1.306
   82   HG21  ILE  59          HG21      ILE  59  60.842   8.527  -1.980
   83   HG22  ILE  59          HG22      ILE  59  61.313   8.269  -0.300
   84   HG23  ILE  59          HG23      ILE  59  60.498   9.761  -0.768
   85   HD11  ILE  59          HD11      ILE  59  58.941   5.597   0.336
   86   HD12  ILE  59          HD12      ILE  59  57.433   6.339   0.870
   87   HD13  ILE  59          HD13      ILE  59  58.702   5.979   2.040
   88    H    CYS  60           HN       CYS  60  57.516   7.363  -2.970
   89    HA   CYS  60           HA       CYS  60  58.212   9.347  -5.039
   90    HB2  CYS  60           HB2      CYS  60  58.916   7.592  -6.487
   91    HB3  CYS  60           HB1      CYS  60  59.671   7.312  -4.922
   92    H    ASP  61           HN       ASP  61  55.649   7.591  -3.713
   93    HA   ASP  61           HA       ASP  61  53.411   7.850  -4.192
   94    HB2  ASP  61           HB2      ASP  61  54.326   9.721  -5.854
   95    HB3  ASP  61           HB1      ASP  61  53.820   8.535  -7.055
   96    H    LYS  62           HN       LYS  62  55.222   5.509  -4.756
   97    HA   LYS  62           HA       LYS  62  53.949   4.165  -6.971
   98    HB2  LYS  62           HB2      LYS  62  56.376   3.846  -5.937
   99    HB3  LYS  62           HB1      LYS  62  55.543   2.652  -4.957
  100    HG2  LYS  62           HG2      LYS  62  54.934   2.467  -7.806
  101    HG3  LYS  62           HG1      LYS  62  56.636   2.209  -7.418
  102    HD2  LYS  62           HD2      LYS  62  56.128   0.409  -5.968
  103    HD3  LYS  62           HD1      LYS  62  54.409   0.804  -5.963
  104    HE2  LYS  62           HE2      LYS  62  54.221   0.171  -8.290
  105    HE3  LYS  62           HE1      LYS  62  55.958  -0.118  -8.379
  106    HZ1  LYS  62           HZ1      LYS  62  55.788  -2.064  -7.247
  107    HZ2  LYS  62           HZ2      LYS  62  54.261  -2.062  -7.974
  108    HZ3  LYS  62           HZ3      LYS  62  54.430  -1.583  -6.360
  109    H    ILE  63           HN       ILE  63  52.185   2.920  -6.896
  110    HA   ILE  63           HA       ILE  63  50.766   2.643  -4.398
  111    HB   ILE  63           HB       ILE  63  49.951   1.448  -7.036
  112   HG12  ILE  63          HG12      ILE  63  49.451   4.259  -6.033
  113   HG13  ILE  63          HG11      ILE  63  50.465   3.817  -7.403
  114   HG21  ILE  63          HG21      ILE  63  48.446   2.309  -4.576
  115   HG22  ILE  63          HG22      ILE  63  48.632   0.672  -5.209
  116   HG23  ILE  63          HG23      ILE  63  47.671   1.856  -6.095
  117   HD11  ILE  63          HD11      ILE  63  48.637   3.229  -8.716
  118   HD12  ILE  63          HD12      ILE  63  48.110   4.685  -7.870
  119   HD13  ILE  63          HD13      ILE  63  47.561   3.100  -7.325
  120    H    PHE  64           HN       PHE  64  49.877   0.585  -3.662
  121    HA   PHE  64           HA       PHE  64  51.204  -1.839  -4.539
  122    HB2  PHE  64           HB2      PHE  64  51.737  -0.540  -1.891
  123    HB3  PHE  64           HB1      PHE  64  51.780  -2.293  -2.031
  124    HD1  PHE  64           HD1      PHE  64  53.483  -3.390  -3.381
  125    HD2  PHE  64           HD2      PHE  64  53.430   0.835  -2.881
  126    HE1  PHE  64           HE1      PHE  64  55.798  -3.268  -4.206
  127    HE2  PHE  64           HE2      PHE  64  55.744   0.967  -3.707
  128    HZ   PHE  64           HZ       PHE  64  56.931  -1.088  -4.369
  129    HA   PRO  65           HA       PRO  65  46.977  -3.114  -3.679
  130    HB2  PRO  65           HB2      PRO  65  48.263  -5.792  -3.866
  131    HB3  PRO  65           HB1      PRO  65  46.821  -5.177  -4.680
  132    HG2  PRO  65           HG2      PRO  65  49.119  -5.449  -5.998
  133    HG3  PRO  65           HG1      PRO  65  48.046  -4.071  -6.304
  134    HD2  PRO  65           HD2      PRO  65  50.604  -4.180  -4.772
  135    HD3  PRO  65           HD1      PRO  65  49.953  -2.882  -5.792
  136    H    ALA  66           HN       ALA  66  45.872  -4.351  -2.039
  137    HA   ALA  66           HA       ALA  66  47.000  -4.078   0.524
  138    HB1  ALA  66           HB1      ALA  66  44.964  -5.744   1.020
  139    HB2  ALA  66           HB2      ALA  66  44.498  -5.188  -0.589
  140    HB3  ALA  66           HB3      ALA  66  44.746  -4.021   0.709
  141    H    THR  67           HN       THR  67  47.033  -6.687  -1.767
  142    HA   THR  67           HA       THR  67  47.778  -8.709   0.135
  143    HB   THR  67           HB       THR  67  48.484  -9.778  -2.247
  144    HG1  THR  67           HG1      THR  67  46.323  -8.094  -2.925
  145   HG21  THR  67          HG21      THR  67  46.100 -10.556  -2.471
  146   HG22  THR  67          HG22      THR  67  45.738  -9.561  -1.061
  147   HG23  THR  67          HG23      THR  67  46.888 -10.891  -0.930
  148    H    GLU  68           HN       GLU  68  49.395  -6.305  -1.721
  149    HA   GLU  68           HA       GLU  68  51.980  -7.599  -1.354
  150    HB2  GLU  68           HB2      GLU  68  50.965  -5.401  -3.093
  151    HB3  GLU  68           HB1      GLU  68  52.670  -5.400  -2.663
  152    HG2  GLU  68           HG2      GLU  68  52.642  -7.846  -3.472
  153    HG3  GLU  68           HG1      GLU  68  51.131  -7.400  -4.262
  154    H    LYS  69           HN       LYS  69  50.427  -6.444   0.873
  155    HA   LYS  69           HA       LYS  69  51.379  -3.965   1.704
  156    HB2  LYS  69           HB2      LYS  69  49.550  -5.401   2.758
  157    HB3  LYS  69           HB1      LYS  69  50.843  -6.267   3.578
  158    HG2  LYS  69           HG2      LYS  69  51.502  -3.737   4.209
  159    HG3  LYS  69           HG1      LYS  69  49.749  -3.581   4.073
  160    HD2  LYS  69           HD2      LYS  69  50.496  -5.971   5.530
  161    HD3  LYS  69           HD1      LYS  69  51.179  -4.521   6.269
  162    HE2  LYS  69           HE2      LYS  69  49.121  -4.650   7.301
  163    HE3  LYS  69           HE1      LYS  69  48.781  -3.561   5.957
  164    HZ1  LYS  69           HZ1      LYS  69  47.181  -5.491   6.406
  165    HZ2  LYS  69           HZ2      LYS  69  48.358  -6.467   5.682
  166    HZ3  LYS  69           HZ3      LYS  69  47.653  -5.203   4.806
  167    H    GLN  70           HN       GLN  70  52.858  -7.128   1.820
  168    HA   GLN  70           HA       GLN  70  54.955  -6.508   3.616
  169    HB2  GLN  70           HB2      GLN  70  54.248  -8.818   2.968
  170    HB3  GLN  70           HB1      GLN  70  54.980  -8.554   1.392
  171    HG2  GLN  70           HG2      GLN  70  56.408  -9.842   2.928
  172    HG3  GLN  70           HG1      GLN  70  57.158  -8.346   2.373
  173   HE21  GLN  70          HE21      GLN  70  57.605  -6.741   3.821
  174   HE22  GLN  70          HE22      GLN  70  57.445  -6.931   5.531
  175    H    ILE  71           HN       ILE  71  54.688  -6.400   0.101
  176    HA   ILE  71           HA       ILE  71  57.376  -5.571  -0.346
  177    HB   ILE  71           HB       ILE  71  55.038  -5.141  -2.203
  178   HG12  ILE  71          HG12      ILE  71  56.808  -7.579  -1.899
  179   HG13  ILE  71          HG11      ILE  71  55.096  -7.489  -1.497
  180   HG21  ILE  71          HG21      ILE  71  57.940  -5.602  -2.853
  181   HG22  ILE  71          HG22      ILE  71  57.223  -4.000  -2.676
  182   HG23  ILE  71          HG23      ILE  71  56.655  -5.086  -3.945
  183   HD11  ILE  71          HD11      ILE  71  56.336  -8.092  -3.993
  184   HD12  ILE  71          HD12      ILE  71  55.330  -6.654  -4.167
  185   HD13  ILE  71          HD13      ILE  71  54.629  -8.150  -3.550
  186    H    PHE  72           HN       PHE  72  54.355  -3.929   0.271
  187    HA   PHE  72           HA       PHE  72  55.169  -1.339  -0.540
  188    HB2  PHE  72           HB2      PHE  72  52.813  -1.868  -0.301
  189    HB3  PHE  72           HB1      PHE  72  53.031  -2.226   1.408
  190    HD1  PHE  72           HD1      PHE  72  54.064   0.616  -0.780
  191    HD2  PHE  72           HD2      PHE  72  51.980  -0.657   2.704
  192    HE1  PHE  72           HE1      PHE  72  53.559   2.959  -0.233
  193    HE2  PHE  72           HE2      PHE  72  51.470   1.686   3.258
  194    HZ   PHE  72           HZ       PHE  72  52.260   3.497   1.789
  195    H    GLU  73           HN       GLU  73  55.431  -3.139   2.461
  196    HA   GLU  73           HA       GLU  73  56.327  -0.912   4.017
  197    HB2  GLU  73           HB2      GLU  73  56.327  -3.894   4.464
  198    HB3  GLU  73           HB1      GLU  73  57.053  -2.781   5.615
  199    HG2  GLU  73           HG2      GLU  73  54.574  -1.687   5.210
  200    HG3  GLU  73           HG1      GLU  73  54.253  -3.419   5.130
  201    H    ASP  74           HN       ASP  74  57.815  -3.541   2.229
  202    HA   ASP  74           HA       ASP  74  60.470  -2.973   3.052
  203    HB2  ASP  74           HB2      ASP  74  59.315  -4.568   0.772
  204    HB3  ASP  74           HB1      ASP  74  61.052  -4.367   0.977
  205    H    HIS  75           HN       HIS  75  58.490  -2.074   0.286
  206    HA   HIS  75           HA       HIS  75  60.412  -0.783  -1.258
  207    HB2  HIS  75           HB2      HIS  75  58.217  -1.253  -2.152
  208    HB3  HIS  75           HB1      HIS  75  57.462  -0.212  -0.950
  209    HD1  HIS  75           HD1      HIS  75  58.654  -0.168  -4.367
  210    HD2  HIS  75           HD2      HIS  75  58.308   2.601  -1.281
  211    HE1  HIS  75           HE1      HIS  75  58.757   2.121  -5.442
  212    H    VAL  76           HN       VAL  76  58.161   0.629   1.099
  213    HA   VAL  76           HA       VAL  76  59.209   3.235   1.044
  214    HB   VAL  76           HB       VAL  76  57.898   1.827   3.381
  215   HG11  VAL  76          HG11      VAL  76  57.908   3.760   4.501
  216   HG12  VAL  76          HG12      VAL  76  57.452   4.690   3.075
  217   HG13  VAL  76          HG13      VAL  76  59.144   4.280   3.356
  218   HG21  VAL  76          HG21      VAL  76  56.349   3.690   1.703
  219   HG22  VAL  76          HG22      VAL  76  55.865   2.177   2.469
  220   HG23  VAL  76          HG23      VAL  76  56.770   2.149   0.956
  221    H    PHE  77           HN       PHE  77  60.034   0.376   2.897
  222    HA   PHE  77           HA       PHE  77  61.819   1.464   4.735
  223    HB2  PHE  77           HB2      PHE  77  61.085  -1.146   3.835
  224    HB3  PHE  77           HB1      PHE  77  62.843  -1.057   3.876
  225    HD1  PHE  77           HD1      PHE  77  59.775  -0.867   5.870
  226    HD2  PHE  77           HD2      PHE  77  64.029  -0.847   5.946
  227    HE1  PHE  77           HE1      PHE  77  59.727  -1.209   8.305
  228    HE2  PHE  77           HE2      PHE  77  63.991  -1.190   8.382
  229    HZ   PHE  77           HZ       PHE  77  61.837  -1.372   9.564
  230    H    CYS  78           HN       CYS  78  62.174   0.741   1.335
  231    HA   CYS  78           HA       CYS  78  64.994   0.949   1.252
  232    HB2  CYS  78           HB2      CYS  78  63.109   0.175  -0.554
  233    HB3  CYS  78           HB1      CYS  78  63.517   1.774  -1.167
  234    HG   CYS  78           HG       CYS  78  65.446   0.718  -2.219
  235    H    HIS  79           HN       HIS  79  62.390   3.249   0.647
  236    HA   HIS  79           HA       HIS  79  64.053   5.453   0.058
  237    HB2  HIS  79           HB2      HIS  79  61.259   5.306   1.204
  238    HB3  HIS  79           HB1      HIS  79  62.049   6.819   0.779
  239    HD1  HIS  79           HD1      HIS  79  62.547   7.164  -1.838
  240    HD2  HIS  79           HD2      HIS  79  60.101   3.961  -0.840
  241    HE1  HIS  79           HE1      HIS  79  61.360   6.486  -3.969
  242    H    SER  80           HN       SER  80  63.380   3.732   2.930
  243    HA   SER  80           HA       SER  80  63.905   5.870   4.771
  244    HB2  SER  80           HB2      SER  80  64.107   2.938   5.425
  245    HB3  SER  80           HB1      SER  80  63.653   4.271   6.487
  246    HG   SER  80           HG       SER  80  61.668   4.187   5.760
  247    H    LEU  81           HN       LEU  81  65.839   3.814   2.871
  248    HA   LEU  81           HA       LEU  81  68.119   3.761   4.584
  249    HB2  LEU  81           HB2      LEU  81  67.963   3.256   1.621
  250    HB3  LEU  81           HB1      LEU  81  69.283   2.800   2.689
  251    HG   LEU  81           HG       LEU  81  66.556   1.806   3.317
  252   HD11  LEU  81          HD11      LEU  81  66.727  -0.036   1.798
  253   HD12  LEU  81          HD12      LEU  81  68.329   0.478   1.267
  254   HD13  LEU  81          HD13      LEU  81  66.911   1.447   0.862
  255   HD21  LEU  81          HD21      LEU  81  69.386   0.929   3.734
  256   HD22  LEU  81          HD22      LEU  81  68.068  -0.239   3.840
  257   HD23  LEU  81          HD23      LEU  81  68.096   1.158   4.916
  Start of MODEL   20
    1    H1   GLN  49           HT1      GLN  49  39.263   5.851   3.594
    2    H2   GLN  49           HT2      GLN  49  37.632   6.378   3.517
    3    H3   GLN  49           HT3      GLN  49  38.355   5.613   2.160
    4    HA   GLN  49           HA       GLN  49  37.781   4.399   4.779
    5    HB2  GLN  49           HB2      GLN  49  36.527   4.221   2.043
    6    HB3  GLN  49           HB1      GLN  49  36.258   3.001   3.279
    7    HG2  GLN  49           HG2      GLN  49  35.808   5.747   4.181
    8    HG3  GLN  49           HG1      GLN  49  34.725   5.210   2.897
    9   HE21  GLN  49          HE21      GLN  49  34.282   5.786   5.776
   10   HE22  GLN  49          HE22      GLN  49  33.535   4.362   6.411
   11    H    MET  50           HN       MET  50  40.004   4.518   2.328
   12    HA   MET  50           HA       MET  50  41.503   3.071   1.403
   13    HB2  MET  50           HB2      MET  50  42.689   1.716   2.988
   14    HB3  MET  50           HB1      MET  50  42.213   3.206   3.789
   15    HG2  MET  50           HG2      MET  50  40.490   2.115   4.990
   16    HG3  MET  50           HG1      MET  50  40.649   0.653   4.020
   17    HE1  MET  50           HE1      MET  50  42.772   1.784   7.791
   18    HE2  MET  50           HE2      MET  50  41.469   2.609   6.935
   19    HE3  MET  50           HE3      MET  50  43.149   2.908   6.486
   20    H    GLN  51           HN       GLN  51  42.059   0.422   1.622
   21    HA   GLN  51           HA       GLN  51  39.697  -1.189   1.416
   22    HB2  GLN  51           HB2      GLN  51  41.015  -0.111  -1.019
   23    HB3  GLN  51           HB1      GLN  51  40.520  -1.797  -1.057
   24    HG2  GLN  51           HG2      GLN  51  38.462  -1.168  -1.542
   25    HG3  GLN  51           HG1      GLN  51  38.361  -0.334   0.007
   26   HE21  GLN  51          HE21      GLN  51  38.490  -0.008  -3.362
   27   HE22  GLN  51          HE22      GLN  51  38.563   1.718  -3.436
   28    HA   PRO  52           HA       PRO  52  42.910  -3.958   2.874
   29    HB2  PRO  52           HB2      PRO  52  40.830  -5.979   2.202
   30    HB3  PRO  52           HB1      PRO  52  41.736  -5.751   3.702
   31    HG2  PRO  52           HG2      PRO  52  39.183  -5.018   3.537
   32    HG3  PRO  52           HG1      PRO  52  40.357  -4.032   4.430
   33    HD2  PRO  52           HD2      PRO  52  39.168  -3.581   1.726
   34    HD3  PRO  52           HD1      PRO  52  39.568  -2.405   2.994
   35    H    LEU  53           HN       LEU  53  43.534  -6.343   2.040
   36    HA   LEU  53           HA       LEU  53  44.557  -7.556   0.413
   37    HB2  LEU  53           HB2      LEU  53  42.021  -7.045  -0.518
   38    HB3  LEU  53           HB1      LEU  53  43.026  -6.485  -1.841
   39    HG   LEU  53           HG       LEU  53  44.070  -8.992  -1.102
   40   HD11  LEU  53          HD11      LEU  53  41.777  -9.179   0.053
   41   HD12  LEU  53          HD12      LEU  53  42.298 -10.491  -1.005
   42   HD13  LEU  53          HD13      LEU  53  41.131  -9.301  -1.584
   43   HD21  LEU  53          HD21      LEU  53  42.574  -7.842  -3.406
   44   HD22  LEU  53          HD22      LEU  53  42.846  -9.584  -3.350
   45   HD23  LEU  53          HD23      LEU  53  44.218  -8.476  -3.329
   46    H    CYS  54           HN       CYS  54  45.198  -4.599   0.913
   47    HA   CYS  54           HA       CYS  54  47.185  -4.408  -1.188
   48    HB2  CYS  54           HB2      CYS  54  45.119  -2.234  -0.778
   49    HB3  CYS  54           HB1      CYS  54  46.571  -2.067  -1.758
   50    HG   CYS  54           HG       CYS  54  45.399  -4.180  -3.150
   51    H    PHE  55           HN       PHE  55  48.766  -2.686  -0.758
   52    HA   PHE  55           HA       PHE  55  48.874  -1.970   2.098
   53    HB2  PHE  55           HB2      PHE  55  51.125  -2.851   0.281
   54    HB3  PHE  55           HB1      PHE  55  51.372  -2.154   1.879
   55    HD1  PHE  55           HD2      PHE  55  49.718  -3.364   3.704
   56    HD2  PHE  55           HD1      PHE  55  51.353  -5.120   0.188
   57    HE1  PHE  55           HE2      PHE  55  49.482  -5.595   4.713
   58    HE2  PHE  55           HE1      PHE  55  51.119  -7.354   1.191
   59    HZ   PHE  55           HZ       PHE  55  50.184  -7.594   3.456
   60    H    ASN  56           HN       ASN  56  49.109   0.133   2.528
   61    HA   ASN  56           HA       ASN  56  49.872   1.910   0.308
   62    HB2  ASN  56           HB2      ASN  56  48.593   3.667   1.658
   63    HB3  ASN  56           HB1      ASN  56  47.638   2.427   0.851
   64   HD21  ASN  56          HD21      ASN  56  46.095   3.295   2.498
   65   HD22  ASN  56          HD22      ASN  56  46.066   2.510   4.037
   66    H    CYS  57           HN       CYS  57  51.520   3.295   0.560
   67    HA   CYS  57           HA       CYS  57  53.256   2.977   2.806
   68    HB2  CYS  57           HB2      CYS  57  54.221   3.345   0.620
   69    HB3  CYS  57           HB1      CYS  57  53.348   4.862   0.444
   70    HA   PRO  58           HA       PRO  58  51.189   6.238   5.113
   71    HB2  PRO  58           HB2      PRO  58  52.495   5.879   7.436
   72    HB3  PRO  58           HB1      PRO  58  51.242   4.759   6.885
   73    HG2  PRO  58           HG2      PRO  58  54.220   4.497   6.724
   74    HG3  PRO  58           HG1      PRO  58  53.013   3.280   7.177
   75    HD2  PRO  58           HD2      PRO  58  54.141   3.432   4.694
   76    HD3  PRO  58           HD1      PRO  58  52.518   2.781   4.994
   77    H    ILE  59           HN       ILE  59  54.495   5.978   4.232
   78    HA   ILE  59           HA       ILE  59  55.405   8.342   5.562
   79    HB   ILE  59           HB       ILE  59  56.673   6.930   3.215
   80   HG12  ILE  59          HG12      ILE  59  57.986   6.425   5.710
   81   HG13  ILE  59          HG11      ILE  59  56.280   6.028   5.887
   82   HG21  ILE  59          HG21      ILE  59  57.571   9.067   5.102
   83   HG22  ILE  59          HG22      ILE  59  57.752   8.969   3.350
   84   HG23  ILE  59          HG23      ILE  59  58.749   7.960   4.397
   85   HD11  ILE  59          HD11      ILE  59  56.485   4.190   4.660
   86   HD12  ILE  59          HD12      ILE  59  58.225   4.399   4.854
   87   HD13  ILE  59          HD13      ILE  59  57.417   5.017   3.414
   88    H    CYS  60           HN       CYS  60  54.703   7.610   2.108
   89    HA   CYS  60           HA       CYS  60  54.397  10.514   1.746
   90    HB2  CYS  60           HB2      CYS  60  55.051  10.298  -0.547
   91    HB3  CYS  60           HB1      CYS  60  56.256   9.499   0.452
   92    H    ASP  61           HN       ASP  61  53.079   7.420   0.595
   93    HA   ASP  61           HA       ASP  61  50.480   7.633   1.006
   94    HB2  ASP  61           HB2      ASP  61  49.503   8.713  -1.087
   95    HB3  ASP  61           HB1      ASP  61  50.171   9.812   0.115
   96    H    LYS  62           HN       LYS  62  52.715   7.224  -1.667
   97    HA   LYS  62           HA       LYS  62  51.608   5.727  -3.528
   98    HB2  LYS  62           HB2      LYS  62  54.217   5.801  -2.351
   99    HB3  LYS  62           HB1      LYS  62  53.834   4.141  -2.788
  100    HG2  LYS  62           HG2      LYS  62  53.561   6.459  -4.683
  101    HG3  LYS  62           HG1      LYS  62  55.014   5.467  -4.548
  102    HD2  LYS  62           HD2      LYS  62  53.360   3.484  -4.902
  103    HD3  LYS  62           HD1      LYS  62  52.300   4.730  -5.566
  104    HE2  LYS  62           HE2      LYS  62  53.903   5.307  -7.237
  105    HE3  LYS  62           HE1      LYS  62  55.134   4.295  -6.486
  106    HZ1  LYS  62           HZ1      LYS  62  54.212   3.184  -8.390
  107    HZ2  LYS  62           HZ2      LYS  62  52.640   3.352  -7.791
  108    HZ3  LYS  62           HZ3      LYS  62  53.746   2.352  -6.992
  109    H    ILE  63           HN       ILE  63  50.449   3.932  -3.800
  110    HA   ILE  63           HA       ILE  63  50.327   2.001  -1.575
  111    HB   ILE  63           HB       ILE  63  48.022   2.586  -3.423
  112   HG12  ILE  63          HG12      ILE  63  48.329   3.664  -0.620
  113   HG13  ILE  63          HG11      ILE  63  48.753   4.599  -2.049
  114   HG21  ILE  63          HG21      ILE  63  48.305   1.111  -0.817
  115   HG22  ILE  63          HG22      ILE  63  47.817   0.466  -2.385
  116   HG23  ILE  63          HG23      ILE  63  46.747   1.562  -1.511
  117   HD11  ILE  63          HD11      ILE  63  46.319   4.584  -0.839
  118   HD12  ILE  63          HD12      ILE  63  46.081   3.436  -2.155
  119   HD13  ILE  63          HD13      ILE  63  46.624   5.076  -2.503
  120    H    PHE  64           HN       PHE  64  49.691  -0.190  -2.197
  121    HA   PHE  64           HA       PHE  64  50.009  -0.920  -4.989
  122    HB2  PHE  64           HB2      PHE  64  51.738  -2.497  -3.163
  123    HB3  PHE  64           HB1      PHE  64  51.986  -2.059  -4.848
  124    HD1  PHE  64           HD2      PHE  64  51.976  -0.573  -1.436
  125    HD2  PHE  64           HD1      PHE  64  53.541  -0.445  -5.392
  126    HE1  PHE  64           HE2      PHE  64  53.570   1.168  -0.745
  127    HE2  PHE  64           HE1      PHE  64  55.141   1.294  -4.705
  128    HZ   PHE  64           HZ       PHE  64  55.155   2.101  -2.379
  129    HA   PRO  65           HA       PRO  65  47.259  -4.186  -3.887
  130    HB2  PRO  65           HB2      PRO  65  48.122  -6.318  -5.317
  131    HB3  PRO  65           HB1      PRO  65  47.354  -4.914  -6.069
  132    HG2  PRO  65           HG2      PRO  65  50.262  -5.589  -5.844
  133    HG3  PRO  65           HG1      PRO  65  49.366  -4.956  -7.237
  134    HD2  PRO  65           HD2      PRO  65  50.881  -3.384  -5.631
  135    HD3  PRO  65           HD1      PRO  65  49.424  -2.792  -6.452
  136    H    ALA  66           HN       ALA  66  47.026  -6.298  -2.850
  137    HA   ALA  66           HA       ALA  66  48.683  -6.603  -0.626
  138    HB1  ALA  66           HB1      ALA  66  46.726  -7.595  -0.140
  139    HB2  ALA  66           HB2      ALA  66  47.506  -9.038  -0.786
  140    HB3  ALA  66           HB3      ALA  66  46.437  -8.080  -1.810
  141    H    THR  67           HN       THR  67  48.834  -8.054  -3.803
  142    HA   THR  67           HA       THR  67  50.763 -10.052  -3.071
  143    HB   THR  67           HB       THR  67  50.965  -9.962  -5.754
  144    HG1  THR  67           HG1      THR  67  49.421  -8.875  -6.647
  145   HG21  THR  67          HG21      THR  67  48.401 -11.127  -4.987
  146   HG22  THR  67          HG22      THR  67  49.762 -11.648  -3.994
  147   HG23  THR  67          HG23      THR  67  49.811 -11.867  -5.743
  148    H    GLU  68           HN       GLU  68  50.978  -6.763  -3.430
  149    HA   GLU  68           HA       GLU  68  53.665  -6.825  -4.559
  150    HB2  GLU  68           HB2      GLU  68  51.518  -4.843  -4.415
  151    HB3  GLU  68           HB1      GLU  68  53.099  -4.178  -4.026
  152    HG2  GLU  68           HG2      GLU  68  53.696  -5.596  -6.242
  153    HG3  GLU  68           HG1      GLU  68  52.027  -5.142  -6.583
  154    H    LYS  69           HN       LYS  69  53.080  -7.858  -1.892
  155    HA   LYS  69           HA       LYS  69  53.773  -6.085   0.151
  156    HB2  LYS  69           HB2      LYS  69  52.849  -8.382   0.469
  157    HB3  LYS  69           HB1      LYS  69  54.420  -9.034   0.026
  158    HG2  LYS  69           HG2      LYS  69  54.347  -7.049   2.222
  159    HG3  LYS  69           HG1      LYS  69  53.690  -8.654   2.548
  160    HD2  LYS  69           HD2      LYS  69  55.720  -9.670   2.376
  161    HD3  LYS  69           HD1      LYS  69  56.316  -8.517   1.179
  162    HE2  LYS  69           HE2      LYS  69  57.580  -7.932   3.002
  163    HE3  LYS  69           HE1      LYS  69  56.206  -6.843   3.191
  164    HZ1  LYS  69           HZ1      LYS  69  57.110  -8.402   5.136
  165    HZ2  LYS  69           HZ2      LYS  69  55.958  -9.442   4.465
  166    HZ3  LYS  69           HZ3      LYS  69  55.494  -7.914   5.021
  167    H    GLN  70           HN       GLN  70  55.736  -7.758  -2.191
  168    HA   GLN  70           HA       GLN  70  58.230  -7.458  -0.884
  169    HB2  GLN  70           HB2      GLN  70  57.353  -8.734  -3.156
  170    HB3  GLN  70           HB1      GLN  70  58.319  -7.420  -3.813
  171    HG2  GLN  70           HG2      GLN  70  59.762  -9.265  -3.591
  172    HG3  GLN  70           HG1      GLN  70  60.168  -8.159  -2.280
  173   HE21  GLN  70          HE21      GLN  70  60.399  -9.038  -0.360
  174   HE22  GLN  70          HE22      GLN  70  59.709 -10.530   0.169
  175    H    ILE  71           HN       ILE  71  56.651  -5.582  -3.436
  176    HA   ILE  71           HA       ILE  71  58.666  -3.581  -3.556
  177    HB   ILE  71           HB       ILE  71  55.788  -3.360  -4.444
  178   HG12  ILE  71          HG12      ILE  71  57.202  -3.792  -6.716
  179   HG13  ILE  71          HG11      ILE  71  58.132  -4.765  -5.580
  180   HG21  ILE  71          HG21      ILE  71  56.281  -1.367  -5.320
  181   HG22  ILE  71          HG22      ILE  71  57.821  -1.936  -5.964
  182   HG23  ILE  71          HG23      ILE  71  57.711  -1.398  -4.289
  183   HD11  ILE  71          HD11      ILE  71  55.587  -5.302  -6.808
  184   HD12  ILE  71          HD12      ILE  71  55.486  -5.412  -5.051
  185   HD13  ILE  71          HD13      ILE  71  56.667  -6.383  -5.931
  186    H    PHE  72           HN       PHE  72  55.760  -4.013  -1.669
  187    HA   PHE  72           HA       PHE  72  55.453  -1.364  -0.759
  188    HB2  PHE  72           HB2      PHE  72  53.658  -2.982  -0.531
  189    HB3  PHE  72           HB1      PHE  72  54.652  -3.984   0.520
  190    HD1  PHE  72           HD2      PHE  72  53.878  -0.335   0.458
  191    HD2  PHE  72           HD1      PHE  72  53.800  -3.981   2.647
  192    HE1  PHE  72           HE2      PHE  72  53.002   0.867   2.417
  193    HE2  PHE  72           HE1      PHE  72  52.924  -2.787   4.612
  194    HZ   PHE  72           HZ       PHE  72  52.523  -0.359   4.499
  195    H    GLU  73           HN       GLU  73  57.252  -4.115   0.536
  196    HA   GLU  73           HA       GLU  73  58.123  -2.743   2.881
  197    HB2  GLU  73           HB2      GLU  73  59.622  -4.667   3.188
  198    HB3  GLU  73           HB1      GLU  73  57.979  -5.183   2.835
  199    HG2  GLU  73           HG2      GLU  73  58.542  -5.803   0.630
  200    HG3  GLU  73           HG1      GLU  73  60.100  -4.984   0.721
  201    H    ASP  74           HN       ASP  74  59.362  -3.263  -0.348
  202    HA   ASP  74           HA       ASP  74  61.965  -2.260   0.166
  203    HB2  ASP  74           HB2      ASP  74  60.428  -3.131  -2.179
  204    HB3  ASP  74           HB1      ASP  74  61.577  -1.842  -2.522
  205    H    HIS  75           HN       HIS  75  58.972  -0.860  -1.042
  206    HA   HIS  75           HA       HIS  75  59.913   1.670  -1.731
  207    HB2  HIS  75           HB2      HIS  75  57.677   0.915  -2.344
  208    HB3  HIS  75           HB1      HIS  75  57.204   0.876  -0.648
  209    HD1  HIS  75           HD1      HIS  75  57.010   3.009  -3.539
  210    HD2  HIS  75           HD2      HIS  75  57.439   3.589   0.559
  211    HE1  HIS  75           HE1      HIS  75  56.374   5.418  -3.084
  212    H    VAL  76           HN       VAL  76  58.404   0.615   1.309
  213    HA   VAL  76           HA       VAL  76  58.781   3.006   2.725
  214    HB   VAL  76           HB       VAL  76  58.760   0.195   3.845
  215   HG11  VAL  76          HG11      VAL  76  59.351   2.554   5.150
  216   HG12  VAL  76          HG12      VAL  76  58.805   1.056   5.904
  217   HG13  VAL  76          HG13      VAL  76  57.637   2.313   5.493
  218   HG21  VAL  76          HG21      VAL  76  56.669   1.849   2.682
  219   HG22  VAL  76          HG22      VAL  76  56.292   1.331   4.325
  220   HG23  VAL  76          HG23      VAL  76  56.662   0.131   3.086
  221    H    PHE  77           HN       PHE  77  60.850   0.239   2.167
  222    HA   PHE  77           HA       PHE  77  62.901   0.769   3.979
  223    HB2  PHE  77           HB2      PHE  77  62.561  -1.246   2.360
  224    HB3  PHE  77           HB1      PHE  77  63.481  -0.273   1.219
  225    HD1  PHE  77           HD2      PHE  77  65.757   0.641   2.088
  226    HD2  PHE  77           HD1      PHE  77  63.671  -2.638   3.823
  227    HE1  PHE  77           HE2      PHE  77  67.854  -0.151   3.103
  228    HE2  PHE  77           HE1      PHE  77  65.763  -3.435   4.842
  229    HZ   PHE  77           HZ       PHE  77  67.860  -2.191   4.482
  230    H    CYS  78           HN       CYS  78  62.166   2.143   0.842
  231    HA   CYS  78           HA       CYS  78  64.589   3.527   0.485
  232    HB2  CYS  78           HB2      CYS  78  62.321   3.174  -1.031
  233    HB3  CYS  78           HB1      CYS  78  62.216   4.876  -0.593
  234    HG   CYS  78           HG       CYS  78  63.633   4.246  -2.870
  235    H    HIS  79           HN       HIS  79  61.496   4.524   1.881
  236    HA   HIS  79           HA       HIS  79  62.307   7.137   2.582
  237    HB2  HIS  79           HB2      HIS  79  60.235   5.298   3.798
  238    HB3  HIS  79           HB1      HIS  79  60.467   6.965   4.313
  239    HD1  HIS  79           HD1      HIS  79  59.935   8.826   2.420
  240    HD2  HIS  79           HD2      HIS  79  58.660   4.952   1.641
  241    HE1  HIS  79           HE1      HIS  79  58.210   9.004   0.577
  242    H    SER  80           HN       SER  80  63.118   4.044   3.763
  243    HA   SER  80           HA       SER  80  63.817   4.827   6.432
  244    HB2  SER  80           HB2      SER  80  63.288   2.438   5.350
  245    HB3  SER  80           HB1      SER  80  65.046   2.413   5.215
  246    HG   SER  80           HG       SER  80  65.028   2.995   7.515
  247    H    LEU  81           HN       LEU  81  65.309   5.129   3.390
  248    HA   LEU  81           HA       LEU  81  68.013   5.055   4.313
  249    HB2  LEU  81           HB2      LEU  81  66.914   6.207   1.759
  250    HB3  LEU  81           HB1      LEU  81  68.594   5.817   2.088
  251    HG   LEU  81           HG       LEU  81  66.576   3.656   2.351
  252   HD11  LEU  81          HD11      LEU  81  67.739   4.410  -0.323
  253   HD12  LEU  81          HD12      LEU  81  66.125   4.899   0.192
  254   HD13  LEU  81          HD13      LEU  81  66.517   3.187   0.030
  255   HD21  LEU  81          HD21      LEU  81  69.422   3.759   1.354
  256   HD22  LEU  81          HD22      LEU  81  68.446   2.300   1.527
  257   HD23  LEU  81          HD23      LEU  81  68.892   3.236   2.953