*HEADER    PLANT PROTEIN                           04-APR-06   2GL1              
*TITLE     NMR SOLUTION STRUCTURE OF VIGNA RADIATA DEFENSIN 2 (VRD2)             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PDF1;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-47;                                             
*COMPND   5 SYNONYM: DEFENSIN 2                                                  
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: VIGNA RADIATA;                                  
*SOURCE   3 ORGANISM_COMMON: MUNG BEAN                                           
*KEYWDS    ANTIMICROBIAL, PLANT DEFENSIN, CYSTEINE-STABILIZED                    
*KEYWDS   2 ALFA/BETA MOTIF                                                      
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    K.-F.LIN, T.-R.LEE, P.-H.TSAI, M.-P.HSU, C.-S.CHEN, P.-C.LYU          
*REVDAT   1   03-APR-07 2GL1    0                                                

assign (residue 1 and name HA) (residue 2 and name HN) 2.2 0.4 0.4
assign (residue 1 and name HB1) (residue 2 and name HN) 2.6 0.8 0.6
assign (residue 1 and name HB1) (residue 47 and name HN) 4.2 2.4 1.3
assign (residue 1 and name HB2) (residue 2 and name HN) 2.6 0.8 0.4
assign (residue 1 and name HB2) (residue 47 and name HN) 4.2 2.4 1.3
assign (residue 2 and name HA) (residue 2 and name HB) 2.6 0.8 0.6
assign (residue 2 and name HA) (residue 2 and name HN) 2.6 0.8 0.6
assign (residue 2 and name HA) (residue 3 and name HN) 2.2 0.4 0.4
assign (residue 2 and name HA) (residue 46 and name HN) 4.2 2.4 1.3
assign (residue 2 and name HA) (residue 47 and name HB1) 3.2 1.4 1.8
assign (residue 2 and name HA) (residue 47 and name HN) 2.6 0.8 0.6
assign (residue 2 and name HB) (residue 2 and name HN) 3.2 1.4 1.4
assign (residue 2 and name HB) (residue 3 and name HN) 2.6 0.8 0.4
assign (residue 2 and name HB) (residue 47 and name HN) 4.2 2.4 1.3
assign (residue 2 and name HG2#) (residue 2 and name HA) 3.2 1.4 2.7
assign (residue 2 and name HG2#) (residue 2 and name HB) 2.2 0.4 1.9
assign (residue 2 and name HG2#) (residue 2 and name HN) 2.6 0.8 2.1
assign (residue 2 and name HG2#) (residue 3 and name HN) 2.6 0.8 2.1
assign (residue 2 and name HG2#) (residue 46 and name HN) 4.2 2.4 2.8
assign (residue 2 and name HG2#) (residue 47 and name HN) 3.2 1.4 2.7
assign (residue 2 and name HN) (residue 3 and name HN) 3.2 1.4 1.8
assign (residue 3 and name HA) (residue 3 and name HB1) 2.2 0.4 0.4
assign (residue 3 and name HA) (residue 3 and name HB2) 2.6 0.8 0.6
assign (residue 3 and name HA) (residue 3 and name HN) 2.6 0.8 0.6
assign (residue 3 and name HA) (residue 4 and name HB1) 4.2 2.4 1.8
assign (residue 3 and name HA) (residue 4 and name HB2) 3.2 1.4 1.8
assign (residue 3 and name HA) (residue 4 and name HN) 2.2 0.4 0.4
assign (residue 3 and name HB1) (residue 3 and name HN) 3.2 1.4 1.2
assign (residue 3 and name HB1) (residue 4 and name HN) 2.6 0.8 0.6
assign (residue 3 and name HB1) (residue 45 and name HG2) 3.2 1.4 1.2
assign (residue 3 and name HB1) (residue 45 and name HN) 4.2 2.4 1.3
assign (residue 3 and name HB2) (residue 3 and name HN) 2.6 0.8 0.6
assign (residue 3 and name HB2) (residue 4 and name HN) 3.2 1.4 1.2
assign (residue 3 and name HB2) (residue 45 and name HB#) 3.2 1.4 2.8
assign (residue 3 and name HB2) (residue 45 and name HG1) 2.6 0.8 0.6
assign (residue 3 and name HB2) (residue 45 and name HG2) 3.2 1.4 1.2
assign (residue 3 and name HB2) (residue 45 and name HN) 3.2 1.4 1.2
assign (residue 3 and name HB2) (residue 47 and name HB1) 2.6 0.8 0.6
assign (residue 3 and name HB2) (residue 47 and name HB2) 3.2 1.4 1.2
assign (residue 4 and name HA) (residue 4 and name HB1) 2.6 0.8 0.6
assign (residue 4 and name HA) (residue 4 and name HB2) 2.6 0.8 0.6
assign (residue 4 and name HA) (residue 4 and name HG1) 2.6 0.8 0.6
assign (residue 4 and name HA) (residue 4 and name HG2) 3.2 1.4 1.2
assign (residue 4 and name HA) (residue 4 and name HN) 2.6 0.8 0.6
assign (residue 4 and name HA) (residue 5 and name HN) 2.2 0.4 0.4
assign (residue 4 and name HA) (residue 42 and name HE3) 3.2 1.4 1.2
assign (residue 4 and name HA) (residue 43 and name HN) 3.2 1.4 1.8
assign (residue 4 and name HA) (residue 44 and name HN) 4.2 2.4 1.3
assign (residue 4 and name HA) (residue 45 and name HN) 3.2 1.4 1.2
assign (residue 4 and name HB1) (residue 4 and name HA) 3.2 1.4 1.2
assign (residue 4 and name HB1) (residue 4 and name HN) 2.6 0.8 0.6
assign (residue 4 and name HB1) (residue 5 and name HN) 3.2 1.4 1.2
assign (residue 4 and name HB1) (residue 42 and name HB#) 3.2 1.4 2.4
assign (residue 4 and name HB1) (residue 42 and name HE3) 2.6 0.8 0.6
assign (residue 4 and name HB1) (residue 42 and name HZ3) 3.2 1.4 1.8
assign (residue 4 and name HB2) (residue 4 and name HA) 3.2 1.4 1.2
assign (residue 4 and name HB2) (residue 4 and name HN) 2.6 0.8 0.6
assign (residue 4 and name HB2) (residue 5 and name HN) 3.2 1.4 1.2
assign (residue 4 and name HB2) (residue 42 and name HE3) 3.2 1.4 1.2
assign (residue 4 and name HB2) (residue 42 and name HZ3) 4.2 2.4 1.3
assign (residue 4 and name HG1) (residue 4 and name HA) 3.2 1.4 1.4
assign (residue 4 and name HG1) (residue 4 and name HB1) 3.2 1.4 1.2
assign (residue 4 and name HG1) (residue 4 and name HB2) 3.2 1.4 1.2
assign (residue 4 and name HG1) (residue 4 and name HN) 3.2 1.4 1.4
assign (residue 4 and name HG1) (residue 5 and name HN) 3.2 1.4 1.2
assign (residue 4 and name HG1) (residue 42 and name HB#) 3.2 1.4 2.2
assign (residue 4 and name HG1) (residue 42 and name HE3) 3.2 1.4 1.2
assign (residue 4 and name HG2) (residue 4 and name HA) 3.2 1.4 1.8
assign (residue 4 and name HG2) (residue 4 and name HB1) 2.6 0.8 0.6
assign (residue 4 and name HG2) (residue 4 and name HN) 3.2 1.4 1.8
assign (residue 4 and name HG2) (residue 5 and name HN) 3.2 1.4 1.4
assign (residue 4 and name HG2) (residue 42 and name HB#) 3.2 1.4 2.2
assign (residue 4 and name HG2) (residue 42 and name HE3) 2.6 0.8 0.4
assign (residue 4 and name HG2) (residue 42 and name HZ3) 3.2 1.4 1.2
assign (residue 5 and name HA) (residue 5 and name HD22) 3.2 1.4 1.2
assign (residue 5 and name HA) (residue 5 and name HN) 2.6 0.8 0.6
assign (residue 5 and name HA) (residue 6 and name HB1) 4.2 2.4 1.3
assign (residue 5 and name HA) (residue 6 and name HB2) 3.2 1.4 1.8
assign (residue 5 and name HA) (residue 6 and name HG) 3.2 1.4 1.8
assign (residue 5 and name HA) (residue 6 and name HN) 2.2 0.4 0.4
assign (residue 5 and name HA) (residue 42 and name HE3) 2.2 0.4 0.4
assign (residue 5 and name HA) (residue 42 and name HH2) 3.2 1.4 1.2
assign (residue 5 and name HA) (residue 42 and name HZ3) 2.2 0.4 0.4
assign (residue 5 and name HB1) (residue 5 and name HA) 3.2 1.4 1.2
assign (residue 5 and name HB1) (residue 5 and name HD21) 3.2 1.4 1.2
assign (residue 5 and name HB1) (residue 5 and name HD22) 3.2 1.4 1.2
assign (residue 5 and name HB1) (residue 5 and name HN) 3.2 1.4 1.2
assign (residue 5 and name HB1) (residue 6 and name HN) 2.6 0.8 0.6
assign (residue 5 and name HB1) (residue 42 and name HZ3) 4.2 2.4 1.3
assign (residue 5 and name HB2) (residue 5 and name HD21) 3.2 1.4 1.2
assign (residue 5 and name HB2) (residue 5 and name HD22) 3.2 1.4 1.2
assign (residue 5 and name HB2) (residue 5 and name HN) 3.2 1.4 1.2
assign (residue 5 and name HB2) (residue 6 and name HN) 3.2 1.4 1.2
assign (residue 5 and name HB2) (residue 42 and name HZ3) 4.2 2.4 1.3
assign (residue 5 and name HD22) (residue 6 and name HN) 3.2 1.4 1.8
assign (residue 6 and name HA) (residue 6 and name HN) 2.6 0.8 0.6
assign (residue 6 and name HA) (residue 7 and name HB) 3.2 1.4 2.7
assign (residue 6 and name HA) (residue 7 and name HN) 2.2 0.4 0.4
assign (residue 6 and name HA) (residue 42 and name HE1) 4.2 2.4 1.8
assign (residue 6 and name HA) (residue 42 and name HE3) 3.2 1.4 1.4
assign (residue 6 and name HA) (residue 42 and name HN) 4.2 2.4 1.8
assign (residue 6 and name HA) (residue 43 and name HN) 3.2 1.4 1.2
assign (residue 6 and name HB1) (residue 6 and name HA) 2.6 0.8 0.4
assign (residue 6 and name HB1) (residue 6 and name HN) 2.6 0.8 0.6
assign (residue 6 and name HB1) (residue 7 and name HN) 3.2 1.4 1.2
assign (residue 6 and name HB2) (residue 6 and name HA) 2.6 0.8 0.6
assign (residue 6 and name HB2) (residue 6 and name HN) 2.6 0.8 0.4
assign (residue 6 and name HB2) (residue 7 and name HN) 3.2 1.4 1.2
assign (residue 6 and name HD1#) (residue 6 and name HA) 2.6 0.8 2.1
assign (residue 6 and name HD1#) (residue 6 and name HB1) 2.6 0.8 1.9
assign (residue 6 and name HD1#) (residue 6 and name HB2) 2.6 0.8 1.9
assign (residue 6 and name HD1#) (residue 6 and name HN) 3.2 1.4 2.7
assign (residue 6 and name HD1#) (residue 7 and name HN) 3.2 1.4 2.7
assign (residue 6 and name HD1#) (residue 40 and name HB2) 2.6 0.8 2.1
assign (residue 6 and name HD1#) (residue 40 and name HE) 4.2 2.4 1.8
assign (residue 6 and name HD1#) (residue 40 and name HG#) 3.2 1.4 3.9
assign (residue 6 and name HD1#) (residue 42 and name HH2) 3.2 1.4 2.7
assign (residue 6 and name HD1#) (residue 42 and name HZ2) 3.2 1.4 2.7
assign (residue 6 and name HD2#) (residue 6 and name HA) 2.2 0.4 1.9
assign (residue 6 and name HD2#) (residue 6 and name HB1) 2.6 0.8 1.9
assign (residue 6 and name HD2#) (residue 6 and name HB2) 2.6 0.8 2.1
assign (residue 6 and name HD2#) (residue 6 and name HG) 2.2 0.4 1.9
assign (residue 6 and name HD2#) (residue 6 and name HN) 3.2 1.4 2.7
assign (residue 6 and name HD2#) (residue 7 and name HN) 3.2 1.4 2.7
assign (residue 6 and name HD2#) (residue 40 and name HB1) 3.2 1.4 2.7
assign (residue 6 and name HD2#) (residue 40 and name HB2) 2.6 0.8 2.1
assign (residue 6 and name HD2#) (residue 40 and name HE) 3.2 1.4 2.7
assign (residue 6 and name HD2#) (residue 40 and name HG#) 2.6 0.8 3.9
assign (residue 6 and name HD2#) (residue 41 and name HN) 3.2 1.4 3.5
assign (residue 6 and name HD2#) (residue 42 and name HD1) 3.2 1.4 2.7
assign (residue 6 and name HD2#) (residue 42 and name HE1) 3.2 1.4 2.7
assign (residue 6 and name HD2#) (residue 42 and name HE3) 3.2 1.4 3.5
assign (residue 6 and name HD2#) (residue 42 and name HH2) 3.2 1.4 2.7
assign (residue 6 and name HD2#) (residue 42 and name HZ2) 2.6 0.8 2.1
assign (residue 6 and name HD2#) (residue 42 and name HZ3) 4.2 2.4 2.8
assign (residue 6 and name HD2#) (residue 43 and name HN) 4.2 2.4 2.8
assign (residue 6 and name HG) (residue 6 and name HA) 2.6 0.8 0.6
assign (residue 6 and name HG) (residue 6 and name HB1) 2.6 0.8 0.6
assign (residue 6 and name HG) (residue 6 and name HB2) 2.6 0.8 0.6
assign (residue 6 and name HG) (residue 6 and name HN) 2.6 0.8 0.4
assign (residue 6 and name HG) (residue 7 and name HN) 3.2 1.4 1.8
assign (residue 6 and name HG) (residue 42 and name HE3) 3.2 1.4 1.8
assign (residue 6 and name HG) (residue 42 and name HH2) 3.2 1.4 1.2
assign (residue 6 and name HG) (residue 42 and name HZ2) 3.2 1.4 1.2
assign (residue 6 and name HG) (residue 42 and name HZ3) 3.2 1.4 1.8
assign (residue 6 and name HN) (residue 5 and name HN) 4.2 2.4 1.3
assign (residue 6 and name HN) (residue 7 and name HN) 3.2 1.4 1.8
assign (residue 7 and name HA) (residue 7 and name HB) 2.2 0.4 1.9
assign (residue 7 and name HA) (residue 7 and name HN) 2.6 0.8 0.6
assign (residue 7 and name HA) (residue 8 and name HN) 2.2 0.4 0.4
assign (residue 7 and name HA) (residue 23 and name HD2) 4.2 2.4 1.3
assign (residue 7 and name HB) (residue 7 and name HN) 2.2 0.4 1.9
assign (residue 7 and name HB) (residue 8 and name HN) 3.2 1.4 2.7
assign (residue 7 and name HB) (residue 9 and name HN) 3.2 1.4 2.7
assign (residue 7 and name HB) (residue 10 and name HD#) 3.2 1.4 4.9
assign (residue 7 and name HB) (residue 10 and name HN) 2.6 0.8 2.1
assign (residue 7 and name HB) (residue 23 and name HD2) 2.6 0.8 1.9
assign (residue 7 and name HB) (residue 41 and name HN) 3.2 1.4 2.9
assign (residue 7 and name HB) (residue 43 and name HN) 3.2 1.4 2.7
assign (residue 7 and name HN) (residue 8 and name HN) 4.2 2.4 1.8
assign (residue 7 and name HN) (residue 43 and name HN) 3.2 1.4 1.2
assign (residue 8 and name HA) (residue 8 and name HN) 3.2 1.4 1.2
assign (residue 8 and name HA) (residue 9 and name HN) 4.2 2.4 1.3
assign (residue 8 and name HA) (residue 10 and name HN) 3.2 1.4 1.2
assign (residue 8 and name HB#) (residue 8 and name HD21) 3.2 1.4 2.2
assign (residue 8 and name HB#) (residue 8 and name HD22) 2.6 0.8 1.4
assign (residue 8 and name HB#) (residue 8 and name HN) 2.6 0.8 1.4
assign (residue 8 and name HB#) (residue 9 and name HG2#) 2.6 0.8 2.9
assign (residue 8 and name HB#) (residue 9 and name HN) 2.6 0.8 1.4
assign (residue 8 and name HD22) (residue 8 and name HN) 3.2 1.4 1.8
assign (residue 9 and name HA) (residue 9 and name HB) 3.2 1.4 1.2
assign (residue 9 and name HA) (residue 9 and name HN) 2.6 0.8 0.4
assign (residue 9 and name HA) (residue 10 and name HN) 2.6 0.8 0.4
assign (residue 9 and name HB) (residue 9 and name HN) 3.2 1.4 1.2
assign (residue 9 and name HB) (residue 23 and name HE1) 3.2 1.4 1.2
assign (residue 9 and name HG2#) (residue 8 and name HN) 4.2 2.4 2.8
assign (residue 9 and name HG2#) (residue 9 and name HA) 3.2 1.4 2.8
assign (residue 9 and name HG2#) (residue 9 and name HB) 4.2 2.4 2.8
assign (residue 9 and name HG2#) (residue 9 and name HN) 2.6 0.8 1.9
assign (residue 9 and name HG2#) (residue 10 and name HN) 4.2 2.4 2.8
assign (residue 9 and name HG2#) (residue 23 and name HE1) 4.2 2.4 2.8
assign (residue 9 and name HN) (residue 8 and name HN) 2.6 0.8 0.6
assign (residue 9 and name HN) (residue 10 and name HA) 4.2 2.4 1.8
assign (residue 10 and name HA) (residue 7 and name HB) 3.2 1.4 2.7
assign (residue 10 and name HA) (residue 10 and name HB2) 2.6 0.8 0.4
assign (residue 10 and name HA) (residue 10 and name HD#) 3.2 1.4 3.2
assign (residue 10 and name HA) (residue 10 and name HN) 2.6 0.8 0.6
assign (residue 10 and name HA) (residue 11 and name HN) 2.2 0.4 0.4
assign (residue 10 and name HA) (residue 23 and name HE1) 3.2 1.4 1.2
assign (residue 10 and name HB1) (residue 7 and name HB) 3.2 1.4 2.7
assign (residue 10 and name HB1) (residue 10 and name HA) 2.6 0.8 0.6
assign (residue 10 and name HB1) (residue 10 and name HD#) 3.2 1.4 3.2
assign (residue 10 and name HB1) (residue 10 and name HE#) 3.2 1.4 3.4
assign (residue 10 and name HB1) (residue 10 and name HN) 2.6 0.8 0.4
assign (residue 10 and name HB1) (residue 23 and name HD2) 3.2 1.4 1.2
assign (residue 10 and name HB1) (residue 23 and name HE1) 4.2 2.4 1.3
assign (residue 10 and name HB1) (residue 41 and name HN) 3.2 1.4 1.2
assign (residue 10 and name HB2) (residue 7 and name HB) 2.6 0.8 1.9
assign (residue 10 and name HB2) (residue 10 and name HD#) 2.2 0.4 2.4
assign (residue 10 and name HB2) (residue 10 and name HE#) 3.2 1.4 3.2
assign (residue 10 and name HB2) (residue 10 and name HN) 2.6 0.8 0.4
assign (residue 10 and name HB2) (residue 11 and name HN) 3.2 1.4 1.2
assign (residue 10 and name HB2) (residue 23 and name HD2) 3.2 1.4 1.8
assign (residue 10 and name HB2) (residue 23 and name HE1) 4.2 2.4 1.3
assign (residue 10 and name HB2) (residue 41 and name HN) 4.2 2.4 1.3
assign (residue 10 and name HD#) (residue 11 and name HN) 3.2 1.4 3.2
assign (residue 10 and name HD#) (residue 12 and name HN) 4.2 2.4 3.3
assign (residue 10 and name HD#) (residue 23 and name HD2) 3.2 1.4 3.4
assign (residue 10 and name HD#) (residue 23 and name HE1) 4.2 2.4 3.3
assign (residue 10 and name HD#) (residue 23 and name HN) 3.2 1.4 3.2
assign (residue 10 and name HD#) (residue 24 and name HN) 4.2 2.4 3.3
assign (residue 10 and name HD#) (residue 41 and name HN) 3.2 1.4 3.8
assign (residue 10 and name HE#) (residue 14 and name HN) 3.2 1.4 3.8
assign (residue 10 and name HE#) (residue 15 and name HN) 3.2 1.4 3.4
assign (residue 10 and name HE#) (residue 20 and name HN) 3.2 1.4 3.8
assign (residue 10 and name HE#) (residue 23 and name HN) 3.2 1.4 3.4
assign (residue 10 and name HN) (residue 8 and name HN) 4.2 2.4 1.3
assign (residue 10 and name HN) (residue 9 and name HN) 2.6 0.8 0.4
assign (residue 10 and name HN) (residue 23 and name HE1) 3.2 1.4 1.8
assign (residue 11 and name HA) (residue 10 and name HD#) 3.2 1.4 3.8
assign (residue 11 and name HA) (residue 11 and name HB1) 2.6 0.8 1.4
assign (residue 11 and name HA) (residue 11 and name HN) 3.2 1.4 1.2
assign (residue 11 and name HA) (residue 12 and name HN) 2.2 0.4 0.4
assign (residue 11 and name HB1) (residue 11 and name HN) 2.6 0.8 0.4
assign (residue 11 and name HB1) (residue 12 and name HN) 3.2 1.4 1.2
assign (residue 11 and name HB2) (residue 11 and name HA) 3.2 1.4 1.2
assign (residue 11 and name HB2) (residue 11 and name HN) 3.2 1.4 1.2
assign (residue 11 and name HB2) (residue 12 and name HN) 4.2 2.4 1.3
assign (residue 11 and name HD#) (residue 11 and name HG#) 2.6 0.8 2.4
assign (residue 11 and name HG#) (residue 11 and name HB1) 2.2 0.4 1.4
assign (residue 11 and name HG#) (residue 11 and name HE) 3.2 1.4 2.8
assign (residue 11 and name HG#) (residue 11 and name HN) 3.2 1.4 2.2
assign (residue 12 and name HA1) (residue 10 and name HD#) 4.2 2.4 3.3
assign (residue 12 and name HA1) (residue 10 and name HE#) 4.2 2.4 3.3
assign (residue 12 and name HA1) (residue 12 and name HN) 2.6 0.8 0.6
assign (residue 12 and name HA1) (residue 13 and name HD#) 2.2 0.4 1.4
assign (residue 12 and name HA1) (residue 13 and name HG#) 3.2 1.4 2.2
assign (residue 12 and name HA2) (residue 12 and name HN) 2.2 0.4 0.4
assign (residue 12 and name HA2) (residue 13 and name HD#) 2.2 0.4 1.4
assign (residue 12 and name HA2) (residue 13 and name HG#) 3.2 1.4 2.2
assign (residue 13 and name HA) (residue 14 and name HN) 2.2 0.4 0.4
assign (residue 13 and name HA) (residue 39 and name HB2) 4.2 2.4 1.3
assign (residue 13 and name HB#) (residue 13 and name HA) 3.2 1.4 2.2
assign (residue 13 and name HB#) (residue 13 and name HD#) 3.2 1.4 3.2
assign (residue 13 and name HB#) (residue 14 and name HN) 3.2 1.4 2.2
assign (residue 13 and name HB#) (residue 15 and name HD#) 3.2 1.4 4.4
assign (residue 13 and name HB#) (residue 15 and name HE#) 3.2 1.4 4.4
assign (residue 13 and name HD#) (residue 12 and name HN) 3.2 1.4 2.2
assign (residue 13 and name HD#) (residue 14 and name HN) 4.2 2.4 2.3
assign (residue 13 and name HD#) (residue 15 and name HD#) 3.2 1.4 4.4
assign (residue 13 and name HD#) (residue 15 and name HE#) 3.2 1.4 4.4
assign (residue 13 and name HG#) (residue 13 and name HA) 3.2 1.4 2.2
assign (residue 13 and name HG#) (residue 14 and name HN) 4.2 2.4 2.3
assign (residue 13 and name HG#) (residue 15 and name HD#) 3.2 1.4 4.4
assign (residue 13 and name HG#) (residue 15 and name HE#) 2.6 0.8 4.4
assign (residue 14 and name HA) (residue 10 and name HD#) 3.2 1.4 3.2
assign (residue 14 and name HA) (residue 10 and name HE#) 2.6 0.8 2.4
assign (residue 14 and name HA) (residue 14 and name HN) 2.6 0.8 0.6
assign (residue 14 and name HA) (residue 15 and name HD#) 3.2 1.4 3.4
assign (residue 14 and name HA) (residue 15 and name HN) 2.2 0.4 0.4
assign (residue 14 and name HB1) (residue 10 and name HE#) 3.2 1.4 3.2
assign (residue 14 and name HB1) (residue 14 and name HN) 3.2 1.4 1.2
assign (residue 14 and name HB1) (residue 15 and name HN) 3.2 1.4 1.2
assign (residue 14 and name HB2) (residue 10 and name HE#) 3.2 1.4 3.2
assign (residue 14 and name HB2) (residue 14 and name HN) 2.6 0.8 0.4
assign (residue 15 and name HA) (residue 15 and name HB1) 2.6 0.8 0.4
assign (residue 15 and name HA) (residue 15 and name HB2) 3.2 1.4 1.2
assign (residue 15 and name HA) (residue 15 and name HD#) 2.6 0.8 2.4
assign (residue 15 and name HA) (residue 15 and name HE#) 3.2 1.4 3.2
assign (residue 15 and name HA) (residue 15 and name HN) 2.6 0.8 0.6
assign (residue 15 and name HA) (residue 16 and name HN) 3.2 1.4 1.2
assign (residue 15 and name HB1) (residue 15 and name HD#) 2.6 0.8 2.4
assign (residue 15 and name HB1) (residue 15 and name HN) 3.2 1.4 1.2
assign (residue 15 and name HB1) (residue 16 and name HG2#) 3.2 1.4 2.7
assign (residue 15 and name HB1) (residue 16 and name HN) 3.2 1.4 1.2
assign (residue 15 and name HB2) (residue 15 and name HD#) 2.6 0.8 2.4
assign (residue 15 and name HB2) (residue 15 and name HN) 2.6 0.8 0.6
assign (residue 15 and name HB2) (residue 16 and name HG2#) 3.2 1.4 2.7
assign (residue 15 and name HB2) (residue 16 and name HN) 3.2 1.4 1.2
assign (residue 15 and name HD#) (residue 15 and name HN) 3.2 1.4 3.2
assign (residue 15 and name HD#) (residue 16 and name HN) 4.2 2.4 3.3
assign (residue 15 and name HE#) (residue 14 and name HN) 3.2 1.4 3.2
assign (residue 15 and name HN) (residue 14 and name HN) 3.2 1.4 1.2
assign (residue 16 and name HA) (residue 16 and name HB) 3.2 1.4 1.2
assign (residue 16 and name HA) (residue 16 and name HG2#) 2.2 0.4 1.9
assign (residue 16 and name HA) (residue 16 and name HN) 2.6 0.8 0.4
assign (residue 16 and name HA) (residue 17 and name HN) 2.2 0.4 0.4
assign (residue 16 and name HA) (residue 19 and name HN) 4.2 2.4 1.8
assign (residue 16 and name HB) (residue 16 and name HN) 3.2 1.4 1.2
assign (residue 16 and name HB) (residue 18 and name HN) 3.2 1.4 1.2
assign (residue 16 and name HB) (residue 19 and name HN) 3.2 1.4 1.2
assign (residue 16 and name HG2#) (residue 16 and name HN) 3.2 1.4 2.7
assign (residue 16 and name HG2#) (residue 17 and name HN) 3.2 1.4 2.7
assign (residue 16 and name HG2#) (residue 18 and name HN) 3.2 1.4 2.7
assign (residue 16 and name HG2#) (residue 19 and name HN) 3.2 1.4 2.7
assign (residue 16 and name HN) (residue 15 and name HN) 2.2 0.4 0.4
assign (residue 16 and name HN) (residue 17 and name HN) 4.2 2.4 1.3
assign (residue 17 and name HA) (residue 17 and name HN) 3.2 1.4 1.2
assign (residue 17 and name HA) (residue 18 and name HN) 3.2 1.4 1.2
assign (residue 17 and name HA) (residue 20 and name HB1) 3.2 1.4 1.2
assign (residue 17 and name HA) (residue 20 and name HB2) 3.2 1.4 1.2
assign (residue 17 and name HA) (residue 20 and name HN) 3.2 1.4 1.2
assign (residue 17 and name HA) (residue 21 and name HN) 4.2 2.4 1.3
assign (residue 17 and name HA) (residue 35 and name HB2) 2.6 0.8 0.6
assign (residue 17 and name HA) (residue 35 and name HN) 2.2 0.4 0.4
assign (residue 17 and name HB) (residue 17 and name HN) 2.2 0.4 0.4
assign (residue 17 and name HB) (residue 18 and name HN) 3.2 1.4 1.2
assign (residue 17 and name HG2#) (residue 17 and name HA) 3.2 1.4 2.7
assign (residue 17 and name HG2#) (residue 17 and name HB) 2.6 0.8 1.9
assign (residue 17 and name HG2#) (residue 17 and name HN) 3.2 1.4 2.7
assign (residue 17 and name HG2#) (residue 18 and name HN) 3.2 1.4 2.7
assign (residue 17 and name HG2#) (residue 20 and name HN) 4.2 2.4 1.8
assign (residue 17 and name HG2#) (residue 35 and name HN) 3.2 1.4 2.7
assign (residue 18 and name HA1) (residue 16 and name HG2#) 3.2 1.4 2.7
assign (residue 18 and name HA1) (residue 17 and name HG2#) 3.2 1.4 3.5
assign (residue 18 and name HA1) (residue 18 and name HN) 2.6 0.8 0.6
assign (residue 18 and name HA1) (residue 19 and name HN) 3.2 1.4 1.2
assign (residue 18 and name HA2) (residue 17 and name HG2#) 3.2 1.4 2.7
assign (residue 18 and name HA2) (residue 18 and name HN) 2.6 0.8 0.6
assign (residue 18 and name HA2) (residue 19 and name HN) 3.2 1.4 1.2
assign (residue 18 and name HA2) (residue 21 and name HB1) 2.6 0.8 0.6
assign (residue 18 and name HA2) (residue 21 and name HB2) 3.2 1.4 1.2
assign (residue 18 and name HA2) (residue 21 and name HN) 3.2 1.4 1.2
assign (residue 18 and name HA2) (residue 22 and name HN) 3.2 1.4 1.2
assign (residue 19 and name HA) (residue 19 and name HB#) 2.6 0.8 1.6
assign (residue 19 and name HA) (residue 19 and name HN) 2.6 0.8 0.6
assign (residue 19 and name HA) (residue 20 and name HN) 3.2 1.4 1.2
assign (residue 19 and name HA) (residue 22 and name HB1) 3.2 1.4 1.2
assign (residue 19 and name HA) (residue 22 and name HB2) 3.2 1.4 1.2
assign (residue 19 and name HA) (residue 22 and name HN) 3.2 1.4 1.2
assign (residue 19 and name HA) (residue 23 and name HN) 4.2 2.4 1.3
assign (residue 19 and name HB#) (residue 10 and name HD#) 3.2 1.4 4.2
assign (residue 19 and name HB#) (residue 10 and name HE#) 3.2 1.4 4.2
assign (residue 19 and name HB#) (residue 16 and name HG2#) 3.2 1.4 3.7
assign (residue 19 and name HB#) (residue 19 and name HN) 2.6 0.4 1.4
assign (residue 19 and name HB#) (residue 20 and name HN) 3.2 1.4 2.2
assign (residue 19 and name HN) (residue 18 and name HN) 2.6 0.8 0.6
assign (residue 19 and name HN) (residue 21 and name HN) 4.2 2.4 1.8
assign (residue 20 and name HA) (residue 10 and name HD#) 3.2 1.4 3.2
assign (residue 20 and name HA) (residue 10 and name HE#) 2.6 0.8 2.4
assign (residue 20 and name HA) (residue 20 and name HB2) 2.6 0.8 0.8
assign (residue 20 and name HA) (residue 20 and name HN) 3.2 1.4 1.2
assign (residue 20 and name HA) (residue 21 and name HN) 3.2 1.4 1.2
assign (residue 20 and name HA) (residue 23 and name HB1) 3.2 1.4 1.2
assign (residue 20 and name HA) (residue 23 and name HB2) 3.2 1.4 1.2
assign (residue 20 and name HA) (residue 23 and name HD2) 4.2 2.4 1.8
assign (residue 20 and name HA) (residue 23 and name HN) 3.2 1.4 1.2
assign (residue 20 and name HA) (residue 24 and name HN) 3.2 1.4 1.2
assign (residue 20 and name HB1) (residue 10 and name HE#) 3.2 1.4 3.2
assign (residue 20 and name HB1) (residue 19 and name HN) 3.2 1.4 1.2
assign (residue 20 and name HB1) (residue 20 and name HN) 2.6 0.8 0.6
assign (residue 20 and name HB1) (residue 21 and name HN) 3.2 1.4 1.2
assign (residue 20 and name HB1) (residue 41 and name HB2) 3.2 1.4 1.2
assign (residue 20 and name HB2) (residue 10 and name HE#) 4.2 2.4 3.3
assign (residue 20 and name HB2) (residue 19 and name HN) 3.2 1.4 1.8
assign (residue 20 and name HB2) (residue 20 and name HN) 2.6 0.8 0.4
assign (residue 20 and name HB2) (residue 21 and name HN) 3.2 1.4 1.2
assign (residue 20 and name HB2) (residue 41 and name HB1) 3.2 1.4 1.8
assign (residue 20 and name HN) (residue 18 and name HN) 4.2 2.4 1.3
assign (residue 20 and name HN) (residue 19 and name HN) 2.6 0.8 0.6
assign (residue 20 and name HN) (residue 21 and name HN) 2.6 0.8 0.6
assign (residue 20 and name HN) (residue 22 and name HN) 4.2 2.4 1.3
assign (residue 21 and name HA) (residue 20 and name HN) 4.2 2.4 1.8
assign (residue 21 and name HA) (residue 21 and name HN) 2.6 0.8 0.6
assign (residue 21 and name HA) (residue 22 and name HN) 3.2 1.4 1.2
assign (residue 21 and name HA) (residue 24 and name HB1) 3.2 1.4 1.2
assign (residue 21 and name HA) (residue 24 and name HB2) 3.2 1.4 1.2
assign (residue 21 and name HA) (residue 24 and name HN) 3.2 1.4 1.2
assign (residue 21 and name HA) (residue 25 and name HN) 3.2 1.4 1.2
assign (residue 21 and name HA) (residue 25 and name HG#) 3.2 1.4 2.2
assign (residue 21 and name HA) (residue 33 and name HN) 3.2 1.4 1.2
assign (residue 21 and name HB1) (residue 21 and name HA) 2.6 0.8 0.6
assign (residue 21 and name HB1) (residue 21 and name HN) 2.6 0.8 0.4
assign (residue 21 and name HB1) (residue 22 and name HN) 2.6 0.8 0.6
assign (residue 21 and name HB1) (residue 33 and name HN) 3.2 1.4 1.2
assign (residue 21 and name HB2) (residue 21 and name HA) 2.6 0.8 0.6
assign (residue 21 and name HB2) (residue 21 and name HN) 2.2 0.4 0.4
assign (residue 21 and name HB2) (residue 22 and name HN) 3.2 1.4 1.2
assign (residue 21 and name HB2) (residue 33 and name HN) 3.2 1.4 1.2
assign (residue 22 and name HA) (residue 22 and name HN) 2.6 0.8 0.6
assign (residue 22 and name HA) (residue 23 and name HN) 3.2 1.4 1.2
assign (residue 22 and name HA) (residue 26 and name HN) 3.2 1.4 1.2
assign (residue 22 and name HA) (residue 25 and name HN) 3.2 1.4 1.2
assign (residue 22 and name HB1) (residue 22 and name HA) 3.2 1.4 1.2
assign (residue 22 and name HB1) (residue 22 and name HN) 2.6 0.8 0.4
assign (residue 22 and name HB1) (residue 23 and name HN) 2.6 0.8 0.6
assign (residue 22 and name HB2) (residue 22 and name HA) 3.2 1.4 1.2
assign (residue 22 and name HB2) (residue 22 and name HN) 2.6 0.8 0.4
assign (residue 22 and name HB2) (residue 23 and name HN) 3.2 1.4 1.2
assign (residue 22 and name HN) (residue 21 and name HN) 2.6 0.8 0.6
assign (residue 23 and name HA) (residue 23 and name HB1) 3.2 1.4 1.2
assign (residue 23 and name HA) (residue 23 and name HB2) 2.6 0.8 0.4
assign (residue 23 and name HA) (residue 23 and name HD2) 3.2 1.4 1.8
assign (residue 23 and name HA) (residue 23 and name HE1) 4.2 2.4 1.3
assign (residue 23 and name HA) (residue 23 and name HN) 2.6 0.8 0.6
assign (residue 23 and name HA) (residue 24 and name HN) 3.2 1.4 1.2
assign (residue 23 and name HA) (residue 26 and name HB1) 4.2 2.4 1.3
assign (residue 23 and name HA) (residue 26 and name HN) 3.2 1.4 1.4
assign (residue 23 and name HA) (residue 27 and name HB2) 3.2 1.4 1.2
assign (residue 23 and name HA) (residue 27 and name HN) 3.2 1.4 1.2
assign (residue 23 and name HB1) (residue 10 and name HD#) 2.6 0.8 2.6
assign (residue 23 and name HB1) (residue 10 and name HE#) 3.2 1.4 3.2
assign (residue 23 and name HB1) (residue 23 and name HD2) 2.6 0.8 0.6
assign (residue 23 and name HB1) (residue 23 and name HN) 3.2 1.4 1.2
assign (residue 23 and name HB1) (residue 24 and name HN) 2.6 0.8 0.6
assign (residue 23 and name HB1) (residue 25 and name HN) 4.2 2.4 1.8
assign (residue 23 and name HB2) (residue 10 and name HD#) 2.6 0.8 2.6
assign (residue 23 and name HB2) (residue 10 and name HE#) 3.2 1.4 3.2
assign (residue 23 and name HB2) (residue 23 and name HD2) 3.2 1.4 1.2
assign (residue 23 and name HB2) (residue 23 and name HN) 3.2 1.4 1.2
assign (residue 23 and name HB2) (residue 24 and name HN) 3.2 1.4 1.2
assign (residue 23 and name HD2) (residue 23 and name HN) 4.2 2.4 1.3
assign (residue 23 and name HD2) (residue 24 and name HN) 3.2 1.4 1.2
assign (residue 23 and name HN) (residue 21 and name HN) 4.2 2.4 1.8
assign (residue 23 and name HN) (residue 22 and name HN) 2.6 0.8 0.6
assign (residue 23 and name HN) (residue 24 and name HN) 2.6 0.8 0.6
assign (residue 24 and name HA) (residue 23 and name HD2) 2.6 0.8 0.6
assign (residue 24 and name HA) (residue 24 and name HN) 2.6 0.8 0.6
assign (residue 24 and name HA) (residue 25 and name HN) 3.2 1.4 1.2
assign (residue 24 and name HA) (residue 27 and name HN) 4.2 2.4 1.8
assign (residue 24 and name HA) (residue 28 and name HB1) 3.2 1.4 1.2
assign (residue 24 and name HA) (residue 28 and name HB2) 2.6 0.8 0.4
assign (residue 24 and name HA) (residue 28 and name HG1) 3.2 1.4 1.2
assign (residue 24 and name HA) (residue 28 and name HG2) 3.2 1.4 1.2
assign (residue 24 and name HA) (residue 28 and name HN) 3.2 1.4 1.2
assign (residue 24 and name HA) (residue 29 and name HN) 4.2 2.4 1.3
assign (residue 24 and name HA) (residue 30 and name HD#) 3.2 1.4 2.9
assign (residue 24 and name HB1) (residue 23 and name HD2) 4.2 2.4 1.8
assign (residue 24 and name HB1) (residue 24 and name HA) 2.6 0.8 0.6
assign (residue 24 and name HB1) (residue 24 and name HN) 3.2 1.4 1.2
assign (residue 24 and name HB1) (residue 25 and name HN) 3.2 1.4 1.2
assign (residue 24 and name HB1) (residue 30 and name HB1) 4.2 2.4 1.8
assign (residue 24 and name HB1) (residue 30 and name HB2) 3.2 1.4 1.2
assign (residue 24 and name HB1) (residue 30 and name HD#) 3.2 1.4 2.9
assign (residue 24 and name HB1) (residue 30 and name HN) 3.2 1.4 1.4
assign (residue 24 and name HB1) (residue 32 and name HN) 3.2 1.4 1.8
assign (residue 24 and name HB1) (residue 33 and name HN) 4.2 2.4 1.3
assign (residue 24 and name HB1) (residue 43 and name HB1) 3.2 1.4 1.2
assign (residue 24 and name HB2) (residue 23 and name HD2) 4.2 2.4 1.8
assign (residue 24 and name HB2) (residue 23 and name HN) 4.2 2.4 1.8
assign (residue 24 and name HB2) (residue 24 and name HA) 3.2 1.4 1.2
assign (residue 24 and name HB2) (residue 24 and name HN) 2.6 0.8 0.4
assign (residue 24 and name HB2) (residue 25 and name HN) 2.6 0.8 0.6
assign (residue 24 and name HB2) (residue 30 and name HB2) 3.2 1.4 1.2
assign (residue 24 and name HB2) (residue 32 and name HN) 4.2 2.4 1.3
assign (residue 24 and name HB2) (residue 33 and name HN) 3.2 1.4 1.8
assign (residue 25 and name HA) (residue 25 and name HN) 2.6 0.8 0.6
assign (residue 25 and name HA) (residue 26 and name HN) 3.2 1.4 1.2
assign (residue 25 and name HA) (residue 29 and name HN) 3.2 1.4 1.2
assign (residue 25 and name HA) (residue 30 and name HN) 2.6 0.8 0.4
assign (residue 25 and name HB1) (residue 25 and name HA) 3.2 1.4 1.2
assign (residue 25 and name HB1) (residue 25 and name HG#) 3.2 1.4 2.2
assign (residue 25 and name HB1) (residue 25 and name HN) 2.6 0.8 0.6
assign (residue 25 and name HB1) (residue 26 and name HN) 3.2 1.4 1.2
assign (residue 25 and name HB2) (residue 22 and name HA) 3.2 1.4 1.2
assign (residue 25 and name HB2) (residue 24 and name HN) 3.2 1.4 1.8
assign (residue 25 and name HB2) (residue 25 and name HN) 2.6 0.8 0.4
assign (residue 25 and name HB2) (residue 26 and name HN) 2.6 0.8 0.4
assign (residue 25 and name HB2) (residue 29 and name HN) 4.2 2.4 1.8
assign (residue 25 and name HD#) (residue 25 and name HA) 3.2 1.4 2.2
assign (residue 25 and name HD#) (residue 25 and name HN) 3.2 1.4 2.2
assign (residue 25 and name HE1) (residue 25 and name HZ#) 3.2 1.4 1.8
assign (residue 25 and name HE2) (residue 25 and name HZ#) 3.2 1.4 1.2
assign (residue 25 and name HG#) (residue 24 and name HN) 3.2 1.4 2.4
assign (residue 25 and name HG#) (residue 25 and name HN) 2.6 0.8 1.6
assign (residue 25 and name HN) (residue 24 and name HN) 2.6 0.8 0.6
assign (residue 26 and name HA) (residue 26 and name HB1) 2.6 0.8 0.4
assign (residue 26 and name HA) (residue 26 and name HD21) 4.2 2.4 1.3
assign (residue 26 and name HA) (residue 26 and name HN) 2.6 0.8 0.6
assign (residue 26 and name HA) (residue 27 and name HN) 3.2 1.4 1.2
assign (residue 26 and name HA) (residue 29 and name HD2) 4.2 2.4 1.3
assign (residue 26 and name HB1) (residue 26 and name HD21) 2.6 0.8 0.4
assign (residue 26 and name HB1) (residue 26 and name HN) 2.6 0.8 0.4
assign (residue 26 and name HB1) (residue 27 and name HN) 3.2 1.4 1.2
assign (residue 26 and name HB2) (residue 26 and name HD21) 3.2 1.4 1.3
assign (residue 26 and name HB2) (residue 26 and name HD22) 3.2 1.4 1.8
assign (residue 26 and name HB2) (residue 26 and name HN) 2.6 0.8 0.6
assign (residue 26 and name HB2) (residue 27 and name HN) 3.2 1.4 1.8
assign (residue 26 and name HN) (residue 24 and name HN) 4.2 2.4 1.8
assign (residue 26 and name HN) (residue 25 and name HN) 3.2 1.4 1.2
assign (residue 26 and name HN) (residue 26 and name HD21) 3.2 1.4 1.2
assign (residue 26 and name HN) (residue 26 and name HD22) 4.2 2.4 1.3
assign (residue 27 and name HA) (residue 27 and name HB2) 2.6 0.8 0.4
assign (residue 27 and name HA) (residue 27 and name HD#) 3.2 1.4 2.4
assign (residue 27 and name HA) (residue 27 and name HG#) 3.2 1.4 2.2
assign (residue 27 and name HA) (residue 27 and name HN) 2.6 0.8 0.6
assign (residue 27 and name HA) (residue 28 and name HN) 3.2 1.4 1.2
assign (residue 27 and name HB1) (residue 26 and name HD21) 4.2 2.4 1.8
assign (residue 27 and name HB1) (residue 27 and name HN) 2.6 0.8 0.6
assign (residue 27 and name HB1) (residue 28 and name HN) 3.2 1.4 1.2
assign (residue 27 and name HB1) (residue 23 and name HE1) 3.2 1.4 1.4
assign (residue 27 and name HB2) (residue 23 and name HE1) 3.2 1.4 1.4
assign (residue 27 and name HB2) (residue 27 and name HN) 2.6 0.8 0.4
assign (residue 27 and name HB2) (residue 28 and name HN) 3.2 1.4 1.2
assign (residue 27 and name HG#) (residue 23 and name HE1) 4.2 2.4 2.3
assign (residue 27 and name HG#) (residue 27 and name HN) 3.2 1.4 2.2
assign (residue 27 and name HN) (residue 24 and name HN) 3.2 1.4 1.8
assign (residue 27 and name HN) (residue 25 and name HN) 4.2 2.4 1.3
assign (residue 27 and name HN) (residue 26 and name HN) 2.6 0.8 0.6
assign (residue 28 and name HA) (residue 28 and name HB1) 2.2 0.4 0.4
assign (residue 28 and name HA) (residue 28 and name HB2) 2.6 0.8 0.4
assign (residue 28 and name HA) (residue 28 and name HG1) 2.6 0.8 0.6
assign (residue 28 and name HA) (residue 28 and name HG2) 2.6 0.8 0.4
assign (residue 28 and name HA) (residue 28 and name HN) 2.6 0.8 0.6
assign (residue 28 and name HA) (residue 29 and name HN) 3.2 1.4 1.2
assign (residue 28 and name HB1) (residue 28 and name HG1) 3.2 1.4 1.2
assign (residue 28 and name HB1) (residue 28 and name HN) 3.2 1.4 1.2
assign (residue 28 and name HB1) (residue 29 and name HN) 3.2 1.4 1.4
assign (residue 28 and name HB1) (residue 30 and name HB2) 3.2 1.4 1.8
assign (residue 28 and name HB1) (residue 30 and name HD#) 2.6 0.8 3.4
assign (residue 28 and name HB1) (residue 30 and name HG) 2.6 0.8 0.6
assign (residue 28 and name HB1) (residue 30 and name HN) 3.2 1.4 1.2
assign (residue 28 and name HB2) (residue 23 and name HD2) 4.2 2.4 1.3
assign (residue 28 and name HB2) (residue 28 and name HN) 2.6 0.8 0.6
assign (residue 28 and name HB2) (residue 29 and name HN) 3.2 1.4 1.2
assign (residue 28 and name HB2) (residue 30 and name HD#) 3.2 1.4 2.9
assign (residue 28 and name HB2) (residue 30 and name HG) 3.2 1.4 1.2
assign (residue 28 and name HB2) (residue 30 and name HN) 3.2 1.4 1.2
assign (residue 28 and name HG1) (residue 23 and name HD2) 3.2 1.4 1.2
assign (residue 28 and name HG1) (residue 23 and name HE1) 3.2 1.4 1.8
assign (residue 28 and name HG1) (residue 28 and name HB2) 2.6 0.8 0.6
assign (residue 28 and name HG1) (residue 28 and name HN) 2.6 0.8 0.6
assign (residue 28 and name HG1) (residue 29 and name HN) 3.2 1.4 1.8
assign (residue 28 and name HG2) (residue 23 and name HD2) 3.2 1.4 1.8
assign (residue 28 and name HG2) (residue 23 and name HE1) 4.2 2.4 1.8
assign (residue 28 and name HG2) (residue 28 and name HB1) 2.6 0.8 0.6
assign (residue 28 and name HG2) (residue 28 and name HN) 3.2 1.4 1.2
assign (residue 28 and name HN) (residue 26 and name HN) 3.2 1.4 1.4
assign (residue 28 and name HN) (residue 27 and name HN) 2.2 0.4 0.4
assign (residue 28 and name HN) (residue 30 and name HN) 3.2 1.4 1.4
assign (residue 29 and name HA) (residue 28 and name HN) 3.2 1.4 1.2
assign (residue 29 and name HA) (residue 29 and name HD2) 3.2 1.4 1.2
assign (residue 29 and name HA) (residue 29 and name HN) 2.2 0.4 0.4
assign (residue 29 and name HA) (residue 30 and name HN) 2.6 0.8 0.4
assign (residue 29 and name HB1) (residue 29 and name HA) 3.2 1.4 1.4
assign (residue 29 and name HB1) (residue 29 and name HD2) 3.2 1.4 1.2
assign (residue 29 and name HB1) (residue 29 and name HN) 3.2 1.4 1.2
assign (residue 29 and name HB1) (residue 30 and name HN) 3.2 1.4 1.8
assign (residue 29 and name HB2) (residue 29 and name HA) 3.2 1.4 1.2
assign (residue 29 and name HB2) (residue 29 and name HD2) 3.2 1.4 1.2
assign (residue 29 and name HB2) (residue 29 and name HN) 3.2 1.4 1.2
assign (residue 29 and name HB2) (residue 30 and name HN) 4.2 2.4 1.3
assign (residue 29 and name HN) (residue 27 and name HN) 3.2 1.4 1.2
assign (residue 29 and name HN) (residue 28 and name HN) 2.2 0.4 0.4
assign (residue 29 and name HN) (residue 30 and name HN) 2.6 0.8 0.4
assign (residue 30 and name HA) (residue 30 and name HB1) 2.6 0.8 0.4
assign (residue 30 and name HA) (residue 30 and name HB2) 2.6 0.8 0.4
assign (residue 30 and name HA) (residue 30 and name HD#) 2.2 0.4 3.4
assign (residue 30 and name HA) (residue 30 and name HN) 2.6 0.8 0.6
assign (residue 30 and name HA) (residue 31 and name HN) 2.6 0.8 0.6
assign (residue 30 and name HB1) (residue 30 and name HD#) 2.2 0.4 3.4
assign (residue 30 and name HB1) (residue 30 and name HN) 3.2 1.4 1.2
assign (residue 30 and name HB1) (residue 31 and name HN) 2.2 0.4 0.4
assign (residue 30 and name HB1) (residue 32 and name HN) 3.2 1.4 1.8
assign (residue 30 and name HB1) (residue 44 and name HN) 4.2 2.4 1.3
assign (residue 30 and name HB2) (residue 29 and name HN) 4.2 2.4 1.8
assign (residue 30 and name HB2) (residue 30 and name HD#) 2.2 0.4 3.8
assign (residue 30 and name HB2) (residue 30 and name HN) 2.6 0.8 0.4
assign (residue 30 and name HB2) (residue 31 and name HN) 2.6 0.8 0.4
assign (residue 30 and name HB2) (residue 32 and name HN) 3.2 1.4 1.2
assign (residue 30 and name HB2) (residue 44 and name HN) 4.2 2.4 1.8
assign (residue 30 and name HD#) (residue 28 and name HN) 4.2 2.4 1.8
assign (residue 30 and name HD#) (residue 29 and name HN) 4.2 2.4 1.8
assign (residue 30 and name HD#) (residue 30 and name HN) 2.6 0.8 3.4
assign (residue 30 and name HD#) (residue 31 and name HN) 2.6 0.8 3.4
assign (residue 30 and name HD#) (residue 32 and name HN) 4.2 2.4 2.8
assign (residue 30 and name HD#) (residue 43 and name HA) 4.2 2.4 2.8
assign (residue 30 and name HD#) (residue 43 and name HN) 3.2 1.4 2.9
assign (residue 30 and name HD#) (residue 44 and name HN) 3.2 1.4 2.9
assign (residue 30 and name HD#) (residue 45 and name HE) 3.2 1.4 3.3
assign (residue 30 and name HD#) (residue 45 and name HN) 3.2 1.4 2.9
assign (residue 30 and name HD#) (residue 46 and name HN) 3.2 1.4 2.9
assign (residue 30 and name HG) (residue 28 and name HN) 4.2 2.4 1.8
assign (residue 30 and name HG) (residue 29 and name HN) 4.2 2.4 1.3
assign (residue 30 and name HG) (residue 30 and name HB2) 3.2 1.4 1.2
assign (residue 30 and name HG) (residue 30 and name HN) 2.6 0.8 0.4
assign (residue 30 and name HN) (residue 31 and name HN) 4.2 2.4 1.8
assign (residue 31 and name HA) (residue 31 and name HN) 2.6 0.8 0.6
assign (residue 31 and name HA) (residue 32 and name HN) 3.2 1.4 1.2
assign (residue 31 and name HB1) (residue 31 and name HA) 3.2 1.4 1.2
assign (residue 31 and name HB1) (residue 31 and name HN) 2.6 0.8 0.4
assign (residue 31 and name HB1) (residue 32 and name HN) 2.6 0.8 0.6
assign (residue 31 and name HB1) (residue 44 and name HG2#) 3.2 1.4 2.7
assign (residue 31 and name HB1) (residue 46 and name HN) 3.2 1.4 1.2
assign (residue 31 and name HB2) (residue 31 and name HA) 3.2 1.4 1.2
assign (residue 31 and name HB2) (residue 31 and name HD1) 3.2 1.4 1.8
assign (residue 31 and name HB2) (residue 32 and name HN) 3.2 1.4 1.2
assign (residue 31 and name HB2) (residue 44 and name HG2#) 3.2 1.4 2.8
assign (residue 31 and name HB2) (residue 44 and name HN) 3.2 1.4 1.8
assign (residue 31 and name HD1) (residue 31 and name HA) 4.2 2.4 1.3
assign (residue 31 and name HD1) (residue 31 and name HE) 3.2 1.4 1.2
assign (residue 31 and name HD2) (residue 31 and name HB2) 3.2 1.4 1.2
assign (residue 31 and name HD2) (residue 31 and name HE) 2.6 0.8 0.6
assign (residue 31 and name HG#) (residue 31 and name HA) 3.2 1.4 2.2
assign (residue 31 and name HG#) (residue 31 and name HN) 3.2 1.4 2.2
assign (residue 31 and name HG#) (residue 32 and name HN) 3.2 1.4 2.2
assign (residue 31 and name HG#) (residue 46 and name HN) 4.2 2.4 2.3
assign (residue 31 and name HN) (residue 44 and name HN) 3.2 1.4 1.2
assign (residue 31 and name HN) (residue 46 and name HN) 4.2 2.4 1.3
assign (residue 32 and name HA) (residue 21 and name HB2) 3.2 1.4 1.2
assign (residue 32 and name HA) (residue 24 and name HB1) 3.2 1.4 1.8
assign (residue 32 and name HA) (residue 24 and name HB2) 3.2 1.4 1.8
assign (residue 32 and name HA) (residue 25 and name HD#) 3.2 1.4 2.2
assign (residue 32 and name HA) (residue 25 and name HE1) 3.2 1.4 1.8
assign (residue 32 and name HA) (residue 25 and name HG#) 2.6 0.8 1.4
assign (residue 32 and name HA) (residue 25 and name HN) 3.2 1.4 1.8
assign (residue 32 and name HA) (residue 31 and name HN) 4.2 2.4 1.8
assign (residue 32 and name HA) (residue 32 and name HB1) 2.6 0.8 0.6
assign (residue 32 and name HA) (residue 32 and name HB2) 2.6 0.8 0.6
assign (residue 32 and name HA) (residue 32 and name HN) 2.6 0.8 0.6
assign (residue 32 and name HA) (residue 33 and name HA1) 3.2 1.4 1.2
assign (residue 32 and name HA) (residue 33 and name HN) 2.2 0.4 0.4
assign (residue 32 and name HA) (residue 44 and name HN) 4.2 2.4 1.3
assign (residue 32 and name HB1) (residue 33 and name HN) 2.6 0.8 0.4
assign (residue 32 and name HB2) (residue 32 and name HN) 2.6 0.8 0.4
assign (residue 32 and name HB2) (residue 33 and name HN) 2.6 0.8 0.4
assign (residue 32 and name HN) (residue 31 and name HN) 2.6 0.8 0.4
assign (residue 32 and name HN) (residue 33 and name HN) 3.2 1.4 1.8
assign (residue 32 and name HN) (residue 44 and name HN) 2.6 0.8 0.6
assign (residue 33 and name HA1) (residue 24 and name HB1) 3.2 1.4 1.2
assign (residue 33 and name HA1) (residue 24 and name HB2) 3.2 1.4 1.2
assign (residue 33 and name HA1) (residue 33 and name HN) 2.2 0.4 0.4
assign (residue 33 and name HA1) (residue 34 and name HN) 2.6 0.8 0.4
assign (residue 33 and name HA1) (residue 43 and name HA) 2.6 0.8 0.6
assign (residue 33 and name HA2) (residue 24 and name HB1) 3.2 1.4 1.2
assign (residue 33 and name HA2) (residue 24 and name HB2) 4.2 2.4 1.3
assign (residue 33 and name HA2) (residue 33 and name HN) 3.2 1.4 1.2
assign (residue 33 and name HA2) (residue 34 and name HN) 2.2 0.4 0.4
assign (residue 33 and name HA2) (residue 43 and name HA) 2.6 0.8 0.4
assign (residue 33 and name HA2) (residue 43 and name HN) 4.2 2.4 1.3
assign (residue 33 and name HA2) (residue 44 and name HN) 3.2 1.4 1.2
assign (residue 33 and name HN) (residue 34 and name HN) 4.2 2.4 1.8
assign (residue 34 and name HA) (residue 17 and name HA) 3.2 1.4 1.2
assign (residue 34 and name HA) (residue 17 and name HB) 3.2 1.4 1.2
assign (residue 34 and name HA) (residue 17 and name HG2#) 2.2 0.4 1.4
assign (residue 34 and name HA) (residue 20 and name HB2) 3.2 1.4 1.2
assign (residue 34 and name HA) (residue 21 and name HN) 4.2 2.4 1.3
assign (residue 34 and name HA) (residue 34 and name HB1) 2.2 0.4 0.4
assign (residue 34 and name HA) (residue 34 and name HG1) 3.2 1.4 1.2
assign (residue 34 and name HA) (residue 34 and name HG2) 2.2 0.4 0.4
assign (residue 34 and name HA) (residue 34 and name HN) 2.6 0.8 0.6
assign (residue 34 and name HA) (residue 35 and name HB1) 3.2 1.4 1.2
assign (residue 34 and name HA) (residue 35 and name HN) 2.2 0.4 0.4
assign (residue 34 and name HB1) (residue 17 and name HG2#) 3.2 1.4 2.7
assign (residue 34 and name HB1) (residue 34 and name HE) 3.2 1.4 1.2
assign (residue 34 and name HB1) (residue 34 and name HN) 3.2 1.4 1.2
assign (residue 34 and name HB1) (residue 35 and name HN) 2.2 0.4 0.4
assign (residue 34 and name HB2) (residue 34 and name HE) 3.2 1.4 1.2
assign (residue 34 and name HB2) (residue 34 and name HN) 3.2 1.4 1.2
assign (residue 34 and name HB2) (residue 35 and name HN) 3.2 1.4 1.2
assign (residue 34 and name HG1) (residue 34 and name HE) 2.6 0.8 0.6
assign (residue 34 and name HG1) (residue 34 and name HN) 3.2 1.4 1.2
assign (residue 34 and name HG2) (residue 34 and name HE) 4.2 2.4 1.8
assign (residue 34 and name HG2) (residue 34 and name HN) 3.2 1.4 1.8
assign (residue 34 and name HG2) (residue 35 and name HN) 2.6 0.8 0.6
assign (residue 34 and name HD1) (residue 34 and name HE) 3.2 1.4 1.2
assign (residue 34 and name HD2) (residue 34 and name HE) 2.6 0.8 0.6
assign (residue 34 and name HN) (residue 42 and name HN) 3.2 1.4 1.2
assign (residue 35 and name HA) (residue 14 and name HB1) 3.2 1.4 1.2
assign (residue 35 and name HA) (residue 35 and name HN) 3.2 1.4 1.2
assign (residue 35 and name HA) (residue 36 and name HN) 2.2 0.4 0.4
assign (residue 35 and name HA) (residue 42 and name HD1) 3.2 1.4 1.2
assign (residue 35 and name HA) (residue 42 and name HN) 3.2 1.4 1.2
assign (residue 35 and name HB1) (residue 17 and name HA) 4.2 2.4 1.8
assign (residue 35 and name HB1) (residue 35 and name HA) 3.2 1.4 1.2
assign (residue 35 and name HB1) (residue 35 and name HN) 2.6 0.8 0.4
assign (residue 35 and name HB1) (residue 36 and name HN) 3.2 1.4 1.2
assign (residue 35 and name HB2) (residue 35 and name HA) 2.6 0.8 0.6
assign (residue 35 and name HB2) (residue 35 and name HN) 2.6 0.8 0.6
assign (residue 35 and name HB2) (residue 36 and name HN) 3.2 1.4 1.2
assign (residue 35 and name HN) (residue 34 and name HN) 3.2 1.4 1.8
assign (residue 36 and name HA) (residue 36 and name HB#) 2.2 0.4 1.4
assign (residue 36 and name HA) (residue 36 and name HE) 3.2 1.4 1.2
assign (residue 36 and name HA) (residue 36 and name HG1) 2.6 0.8 0.6
assign (residue 36 and name HA) (residue 36 and name HG2) 2.6 0.8 0.4
assign (residue 36 and name HA) (residue 36 and name HN) 3.2 1.4 1.2
assign (residue 36 and name HA) (residue 37 and name HN) 2.6 0.8 0.4
assign (residue 36 and name HA) (residue 42 and name HD1) 4.2 2.4 1.3
assign (residue 36 and name HB#) (residue 36 and name HN) 2.6 0.8 1.4
assign (residue 36 and name HB#) (residue 37 and name HN) 2.2 0.4 1.4
assign (residue 36 and name HB#) (residue 38 and name HN) 2.6 0.8 1.6
assign (residue 36 and name HB#) (residue 39 and name HN) 3.2 1.4 2.2
assign (residue 36 and name HB#) (residue 42 and name HD1) 2.6 0.8 1.4
assign (residue 36 and name HB#) (residue 42 and name HE1) 3.2 1.4 2.2
assign (residue 36 and name HD1) (residue 36 and name HE) 3.2 1.4 1.2
assign (residue 36 and name HD1) (residue 42 and name HD1) 3.2 1.4 1.2
assign (residue 36 and name HD1) (residue 42 and name HE1) 4.2 2.4 1.8
assign (residue 36 and name HD1) (residue 42 and name HE3) 3.2 1.4 1.2
assign (residue 36 and name HD2) (residue 36 and name HE) 3.2 1.4 1.2
assign (residue 36 and name HE) (residue 37 and name HN) 3.2 1.4 1.2
assign (residue 36 and name HE) (residue 42 and name HD1) 4.2 2.4 1.8
assign (residue 36 and name HG1) (residue 36 and name HE) 3.2 1.4 1.2
assign (residue 36 and name HG1) (residue 36 and name HN) 3.2 1.4 1.2
assign (residue 36 and name HG1) (residue 42 and name HD1) 2.6 0.8 0.6
assign (residue 36 and name HG1) (residue 42 and name HN) 3.2 1.4 1.2
assign (residue 36 and name HG2) (residue 34 and name HE) 4.2 2.4 1.8
assign (residue 36 and name HG2) (residue 36 and name HN) 3.2 1.4 1.2
assign (residue 36 and name HG2) (residue 42 and name HB#) 3.2 1.4 2.2
assign (residue 36 and name HG2) (residue 42 and name HD1) 3.2 1.4 1.2
assign (residue 36 and name HN) (residue 42 and name HN) 4.2 2.4 1.3
assign (residue 37 and name HA) (residue 37 and name HN) 2.6 0.8 0.6
assign (residue 37 and name HA) (residue 38 and name HN) 3.2 1.4 1.2
assign (residue 37 and name HB#) (residue 37 and name HN) 2.6 0.8 1.6
assign (residue 37 and name HB#) (residue 38 and name HN) 3.2 1.4 2.2
assign (residue 38 and name HA) (residue 38 and name HN) 2.6 0.8 0.6
assign (residue 38 and name HA) (residue 39 and name HN) 3.2 1.4 1.2
assign (residue 38 and name HB1) (residue 38 and name HA) 3.2 1.4 1.2
assign (residue 38 and name HB1) (residue 38 and name HN) 3.2 1.4 1.2
assign (residue 38 and name HB1) (residue 39 and name HN) 4.2 2.4 1.3
assign (residue 38 and name HB2) (residue 38 and name HA) 2.6 0.8 0.6
assign (residue 38 and name HB2) (residue 38 and name HN) 3.2 1.4 1.2
assign (residue 38 and name HN) (residue 37 and name HN) 3.2 1.4 1.2
assign (residue 38 and name HN) (residue 39 and name HN) 2.2 0.4 0.4
assign (residue 39 and name HA) (residue 39 and name HN) 2.2 0.8 0.4
assign (residue 39 and name HB1) (residue 13 and name HB#) 3.2 1.4 2.2
assign (residue 39 and name HB1) (residue 13 and name HG#) 3.2 1.4 2.2
assign (residue 39 and name HB1) (residue 14 and name HN) 2.6 0.8 0.6
assign (residue 39 and name HB1) (residue 39 and name HA) 3.2 1.4 1.2
assign (residue 39 and name HB1) (residue 39 and name HE#) 4.2 2.4 3.3
assign (residue 39 and name HB1) (residue 39 and name HN) 3.2 1.4 1.2
assign (residue 39 and name HB2) (residue 13 and name HG#) 3.2 1.4 2.2
assign (residue 39 and name HB2) (residue 14 and name HN) 3.2 1.4 1.2
assign (residue 39 and name HB2) (residue 39 and name HA) 3.2 1.4 1.2
assign (residue 39 and name HB2) (residue 39 and name HD#) 2.6 0.8 2.4
assign (residue 39 and name HB2) (residue 39 and name HE#) 4.2 2.4 3.3
assign (residue 39 and name HB2) (residue 39 and name HN) 3.2 1.4 1.2
assign (residue 39 and name HD#) (residue 39 and name HN) 3.2 1.4 2.2
assign (residue 40 and name HA) (residue 6 and name HD1#) 4.2 2.4 2.8
assign (residue 40 and name HA) (residue 6 and name HD2#) 3.2 1.4 2.2
assign (residue 40 and name HA) (residue 40 and name HB1) 2.6 0.8 0.6
assign (residue 40 and name HA) (residue 40 and name HB2) 2.6 0.8 0.6
assign (residue 40 and name HA) (residue 40 and name HD#) 3.2 1.4 2.2
assign (residue 40 and name HA) (residue 40 and name HG#) 2.2 0.4 1.4
assign (residue 40 and name HA) (residue 41 and name HN) 2.2 0.4 0.4
assign (residue 40 and name HB1) (residue 40 and name HD#) 3.2 1.4 2.2
assign (residue 40 and name HB1) (residue 40 and name HE) 3.2 1.4 1.2
assign (residue 40 and name HB1) (residue 41 and name HN) 3.2 1.4 1.2
assign (residue 40 and name HB2) (residue 40 and name HD#) 3.2 1.4 2.2
assign (residue 40 and name HB2) (residue 42 and name HD1) 3.2 1.4 1.2
assign (residue 40 and name HB2) (residue 42 and name HE1) 3.2 1.4 1.2
assign (residue 40 and name HB2) (residue 42 and name HZ2) 3.2 1.4 1.8
assign (residue 40 and name HD#) (residue 6 and name HD1#) 3.2 1.4 4.3
assign (residue 40 and name HD#) (residue 6 and name HD2#) 3.2 1.4 3.9
assign (residue 40 and name HD#) (residue 40 and name HB2) 3.2 1.4 2.2
assign (residue 40 and name HD#) (residue 40 and name HE) 3.2 1.4 2.2
assign (residue 40 and name HE) (residue 41 and name HN) 3.2 1.4 1.2
assign (residue 40 and name HG#) (residue 40 and name HB2) 2.2 0.4 1.4
assign (residue 40 and name HG#) (residue 40 and name HD#) 2.6 0.8 1.6
assign (residue 40 and name HG#) (residue 40 and name HE) 2.6 0.8 1.6
assign (residue 40 and name HG#) (residue 40 and name HN) 3.2 1.4 2.2
assign (residue 40 and name HG#) (residue 41 and name HN) 2.6 0.8 1.6
assign (residue 40 and name HG#) (residue 42 and name HD1) 3.2 1.4 2.2
assign (residue 40 and name HG#) (residue 42 and name HE1) 3.2 1.4 2.2
assign (residue 40 and name HG#) (residue 42 and name HZ2) 4.2 2.4 2.3
assign (residue 40 and name HN) (residue 36 and name HN) 3.2 1.4 1.2
assign (residue 40 and name HN) (residue 38 and name HN) 4.2 2.4 1.8
assign (residue 40 and name HN) (residue 39 and name HN) 2.6 0.8 0.6
assign (residue 40 and name HN) (residue 41 and name HN) 3.2 1.4 1.2
assign (residue 40 and name HN) (residue 42 and name HD1) 3.2 1.4 1.8
assign (residue 41 and name HA) (residue 10 and name HD#) 3.2 1.4 3.2
assign (residue 41 and name HA) (residue 35 and name HA) 3.2 1.4 1.2
assign (residue 41 and name HA) (residue 36 and name HN) 3.2 1.4 1.2
assign (residue 41 and name HA) (residue 41 and name HB2) 2.6 0.8 0.6
assign (residue 41 and name HA) (residue 41 and name HN) 2.6 0.8 0.6
assign (residue 41 and name HA) (residue 42 and name HD1) 3.2 1.4 1.2
assign (residue 41 and name HA) (residue 42 and name HN) 2.2 0.4 0.4
assign (residue 41 and name HB1) (residue 7 and name HB) 3.2 1.4 2.8
assign (residue 41 and name HB1) (residue 7 and name HN) 4.2 2.4 1.8
assign (residue 41 and name HB1) (residue 10 and name HD#) 3.2 1.4 3.2
assign (residue 41 and name HB1) (residue 10 and name HE#) 3.2 1.4 3.2
assign (residue 41 and name HB1) (residue 41 and name HN) 2.6 0.8 0.6
assign (residue 41 and name HB1) (residue 42 and name HN) 3.2 1.4 1.2
assign (residue 41 and name HB2) (residue 7 and name HB) 3.2 1.4 2.8
assign (residue 41 and name HB2) (residue 7 and name HN) 3.2 1.4 1.8
assign (residue 41 and name HB2) (residue 10 and name HB2) 3.2 1.4 1.2
assign (residue 41 and name HB2) (residue 10 and name HD#) 3.2 1.4 3.2
assign (residue 41 and name HB2) (residue 10 and name HE#) 3.2 1.4 3.2
assign (residue 41 and name HB2) (residue 41 and name HN) 2.2 0.4 0.4
assign (residue 41 and name HB2) (residue 42 and name HN) 3.2 1.4 1.2
assign (residue 42 and name HA) (residue 5 and name HN) 3.2 1.4 1.8
assign (residue 42 and name HA) (residue 6 and name HA) 2.2 0.4 0.4
assign (residue 42 and name HA) (residue 6 and name HB1) 4.2 2.4 1.8
assign (residue 42 and name HA) (residue 6 and name HB2) 3.2 1.4 1.8
assign (residue 42 and name HA) (residue 6 and name HN) 4.2 2.4 1.3
assign (residue 42 and name HA) (residue 7 and name HB) 3.2 1.4 2.7
assign (residue 42 and name HA) (residue 7 and name HN) 2.6 0.8 0.4
assign (residue 42 and name HA) (residue 42 and name HD1) 3.2 1.4 1.2
assign (residue 42 and name HA) (residue 42 and name HE3) 3.2 1.4 1.2
assign (residue 42 and name HA) (residue 42 and name HN) 2.6 0.8 0.6
assign (residue 42 and name HA) (residue 43 and name HN) 2.2 0.4 0.4
assign (residue 42 and name HB#) (residue 5 and name HN) 3.2 1.4 2.2
assign (residue 42 and name HB#) (residue 34 and name HN) 3.2 1.4 2.2
assign (residue 42 and name HB#) (residue 42 and name HD1) 2.6 0.8 1.4
assign (residue 42 and name HB#) (residue 42 and name HE3) 2.2 0.4 1.4
assign (residue 42 and name HB#) (residue 42 and name HN) 2.2 0.4 1.4
assign (residue 42 and name HB#) (residue 42 and name HZ3) 3.2 1.4 2.2
assign (residue 42 and name HD1) (residue 36 and name HN) 3.2 1.4 1.2
assign (residue 42 and name HD1) (residue 42 and name HN) 2.6 0.8 0.6
assign (residue 42 and name HE3) (residue 4 and name HN) 3.2 1.4 1.8
assign (residue 42 and name HE3) (residue 5 and name HN) 3.2 1.4 1.2
assign (residue 42 and name HE3) (residue 6 and name HN) 4.2 1.4 1.3
assign (residue 42 and name HZ3) (residue 5 and name HN) 4.2 2.4 1.3
assign (residue 42 and name HZ3) (residue 6 and name HN) 3.2 1.4 1.2
assign (residue 43 and name HA) (residue 24 and name HB1) 2.6 0.8 0.6
assign (residue 43 and name HA) (residue 24 and name HB2) 4.2 2.4 1.3
assign (residue 43 and name HA) (residue 32 and name HN) 3.2 1.4 1.8
assign (residue 43 and name HA) (residue 33 and name HN) 4.2 2.4 1.3
assign (residue 43 and name HA) (residue 34 and name HN) 3.2 1.4 1.2
assign (residue 43 and name HA) (residue 43 and name HN) 2.6 0.8 0.6
assign (residue 43 and name HA) (residue 44 and name HN) 2.2 0.4 0.4
assign (residue 43 and name HB1) (residue 24 and name HA) 4.2 2.4 1.8
assign (residue 43 and name HB1) (residue 24 and name HB2) 3.2 1.4 1.2
assign (residue 43 and name HB1) (residue 30 and name HB1) 3.2 1.4 1.2
assign (residue 43 and name HB1) (residue 30 and name HD#) 2.2 0.4 3.8
assign (residue 43 and name HB1) (residue 32 and name HN) 3.2 1.4 1.8
assign (residue 43 and name HB1) (residue 43 and name HA) 2.6 0.8 0.6
assign (residue 43 and name HB1) (residue 43 and name HN) 3.2 1.4 1.2
assign (residue 43 and name HB1) (residue 44 and name HN) 2.6 0.8 0.6
assign (residue 43 and name HB2) (residue 30 and name HD#) 2.6 0.8 3.4
assign (residue 43 and name HB2) (residue 43 and name HA) 3.2 1.4 1.2
assign (residue 43 and name HB2) (residue 43 and name HN) 2.2 0.4 0.4
assign (residue 43 and name HN) (residue 5 and name HN) 3.2 1.4 1.2
assign (residue 43 and name HN) (residue 42 and name HN) 4.2 2.4 1.8
assign (residue 44 and name HA) (residue 4 and name HA) 3.2 1.4 1.2
assign (residue 44 and name HA) (residue 4 and name HB1) 3.2 1.4 1.2
assign (residue 44 and name HA) (residue 4 and name HB2) 3.2 1.4 1.2
assign (residue 44 and name HA) (residue 4 and name HG1) 3.2 1.4 1.2
assign (residue 44 and name HA) (residue 4 and name HG2) 3.2 1.4 1.2
assign (residue 44 and name HA) (residue 30 and name HD#) 4.2 2.4 1.8
assign (residue 44 and name HA) (residue 43 and name HN) 4.2 2.4 1.8
assign (residue 44 and name HA) (residue 44 and name HN) 3.2 1.4 1.2
assign (residue 44 and name HA) (residue 45 and name HN) 2.2 0.4 0.4
assign (residue 44 and name HB) (residue 44 and name HN) 2.6 0.8 0.4
assign (residue 44 and name HG2#) (residue 31 and name HB1) 3.2 1.4 2.7
assign (residue 44 and name HG2#) (residue 31 and name HD1) 3.2 1.4 2.7
assign (residue 44 and name HG2#) (residue 31 and name HD2) 2.6 0.8 1.9
assign (residue 44 and name HG2#) (residue 31 and name HE) 3.2 1.4 2.7
assign (residue 44 and name HG2#) (residue 32 and name HN) 3.2 1.4 2.7
assign (residue 44 and name HG2#) (residue 44 and name HN) 3.2 1.4 2.7
assign (residue 44 and name HG2#) (residue 45 and name HN) 2.6 0.8 1.9
assign (residue 45 and name HA) (residue 30 and name HB1) 3.2 1.4 1.2
assign (residue 45 and name HA) (residue 30 and name HD#) 4.2 2.4 1.8
assign (residue 45 and name HA) (residue 31 and name HB1) 2.6 0.8 0.6
assign (residue 45 and name HA) (residue 31 and name HD2) 3.2 1.4 1.2
assign (residue 45 and name HA) (residue 31 and name HG#) 3.2 1.4 2.2
assign (residue 45 and name HA) (residue 31 and name HN) 2.6 0.8 0.6
assign (residue 45 and name HA) (residue 32 and name HN) 4.2 2.4 1.3
assign (residue 45 and name HA) (residue 45 and name HB#) 2.2 0.4 1.4
assign (residue 45 and name HA) (residue 45 and name HD#) 3.2 1.4 2.2
assign (residue 45 and name HA) (residue 45 and name HG1) 3.2 1.4 1.2
assign (residue 45 and name HA) (residue 45 and name HN) 3.2 1.4 1.2
assign (residue 45 and name HA) (residue 46 and name HN) 2.2 0.4 0.4
assign (residue 45 and name HB#) (residue 30 and name HD#) 2.6 0.8 3.4
assign (residue 45 and name HB#) (residue 31 and name HN) 4.2 2.4 2.8
assign (residue 45 and name HB#) (residue 45 and name HD#) 2.6 0.8 2.4
assign (residue 45 and name HB#) (residue 45 and name HE) 3.2 1.4 2.2
assign (residue 45 and name HB#) (residue 45 and name HG1) 2.6 0.8 1.4
assign (residue 45 and name HB#) (residue 45 and name HN) 3.2 1.4 2.2
assign (residue 45 and name HB#) (residue 46 and name HN) 2.6 0.8 1.6
assign (residue 45 and name HD#) (residue 45 and name HE) 2.2 0.4 1.4
assign (residue 45 and name HD#) (residue 45 and name HN) 3.2 1.4 2.2
assign (residue 45 and name HD#) (residue 46 and name HN) 3.2 1.4 2.2
assign (residue 45 and name HG1) (residue 3 and name HN) 3.2 1.4 1.2
assign (residue 45 and name HG1) (residue 45 and name HD#) 2.2 0.4 1.4
assign (residue 45 and name HG1) (residue 45 and name HE) 3.2 1.4 1.2
assign (residue 45 and name HG1) (residue 45 and name HN) 3.2 1.4 1.2
assign (residue 45 and name HG1) (residue 46 and name HN) 3.2 1.4 1.2
assign (residue 45 and name HG2) (residue 3 and name HB2) 3.2 1.4 1.2
assign (residue 45 and name HG2) (residue 3 and name HN) 3.2 1.4 1.2
assign (residue 45 and name HN) (residue 3 and name HN) 3.2 1.4 1.2
assign (residue 46 and name HA) (residue 2 and name HA) 3.2 1.4 1.2
assign (residue 46 and name HA) (residue 2 and name HB) 4.2 2.4 1.3
assign (residue 46 and name HA) (residue 2 and name HG2#) 2.6 0.8 1.9
assign (residue 46 and name HA) (residue 46 and name HB2) 2.6 0.8 0.6
assign (residue 46 and name HA) (residue 46 and name HD22) 4.2 2.4 1.3
assign (residue 46 and name HA) (residue 46 and name HN) 3.2 1.4 1.2
assign (residue 46 and name HA) (residue 47 and name HN) 2.2 0.4 0.4
assign (residue 46 and name HB1) (residue 46 and name HA) 3.2 1.4 1.2
assign (residue 46 and name HB1) (residue 46 and name HD22) 3.2 1.4 1.2
assign (residue 46 and name HB1) (residue 46 and name HN) 2.6 0.8 0.6
assign (residue 46 and name HB1) (residue 47 and name HN) 2.6 0.8 0.6
assign (residue 46 and name HB2) (residue 46 and name HA) 4.2 2.4 1.8
assign (residue 46 and name HB2) (residue 46 and name HD21) 3.2 1.4 1.2
assign (residue 46 and name HB2) (residue 46 and name HD22) 3.2 1.4 1.2
assign (residue 46 and name HB2) (residue 46 and name HN) 2.2 0.4 0.4
assign (residue 46 and name HB2) (residue 47 and name HN) 3.2 1.4 1.2
assign (residue 46 and name HD22) (residue 46 and name HN) 3.2 1.4 1.2
assign (residue 46 and name HN) (residue 46 and name HD21) 3.2 1.4 1.2
assign (residue 47 and name HA) (residue 47 and name HN) 2.6 0.8 0.6
assign (residue 47 and name HB1) (residue 3 and name HN) 3.2 1.4 1.2
assign (residue 47 and name HB1) (residue 47 and name HA) 4.2 2.4 1.8
assign (residue 47 and name HB1) (residue 47 and name HN) 3.2 1.4 1.2
assign (residue 47 and name HB2) (residue 3 and name HN) 4.2 2.4 1.3
assign (residue 47 and name HB2) (residue 47 and name HA) 4.2 2.4 1.3
assign (residue 47 and name HB2) (residue 47 and name HN) 3.2 1.4 1.2
assign (residue 47 and name HN) (residue 3 and name HN) 3.2 1.4 1.2
assign (residue 47 and name HN) (residue 46 and name HN) 3.2 1.4 1.8



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1HT       LYS   1   1.595  10.172  14.460
    2   2H    LYS   1          2HT       LYS   1   2.312   8.691  13.979
    3   3H    LYS   1          3HT       LYS   1   0.640   8.822  14.113
    4    HA   LYS   1           HA       LYS   1   0.482  10.331  12.332
    5   1HB   LYS   1          2HB       LYS   1   2.460  10.807  10.917
    6   2HB   LYS   1          1HB       LYS   1   2.579  11.457  12.530
    7   1HG   LYS   1          2HG       LYS   1   4.215   9.898  13.167
    8   2HG   LYS   1          1HG       LYS   1   3.867   8.850  11.792
    9   1HD   LYS   1          2HD       LYS   1   5.970  10.064  11.457
   10   2HD   LYS   1          1HD       LYS   1   4.765  10.548  10.271
   11   1HE   LYS   1          2HE       LYS   1   4.272  12.544  11.622
   12   2HE   LYS   1          1HE       LYS   1   5.530  12.057  12.764
   13   1HZ   LYS   1          1HZ       LYS   1   7.148  12.258  10.971
   14   2HZ   LYS   1          2HZ       LYS   1   6.332  13.698  11.221
   15   3HZ   LYS   1          3HZ       LYS   1   5.928  12.723   9.904
   16    H    THR   2           H        THR   2   1.456   9.655   9.997
   17    HA   THR   2           HA       THR   2   1.022   6.776   9.892
   18    HB   THR   2           HB       THR   2   0.293   7.210   7.537
   19    HG1  THR   2           1HG      THR   2   0.574   9.188   6.839
   20   1HG2  THR   2          1HG2      THR   2  -1.332   8.526   9.731
   21   2HG2  THR   2          2HG2      THR   2  -1.342   6.812   9.322
   22   3HG2  THR   2          3HG2      THR   2  -1.969   7.997   8.174
   23    H    CYS   3           H        CYS   3   2.457   5.582   8.925
   24    HA   CYS   3           HA       CYS   3   4.710   6.825   7.535
   25   1HB   CYS   3          2HB       CYS   3   4.597   4.325   9.275
   26   2HB   CYS   3          1HB       CYS   3   5.986   4.794   8.301
   27    H    GLU   4           H        GLU   4   5.314   5.650   5.544
   28    HA   GLU   4           HA       GLU   4   3.261   3.751   4.717
   29   1HB   GLU   4          2HB       GLU   4   2.708   6.172   4.193
   30   2HB   GLU   4          1HB       GLU   4   4.078   6.146   3.136
   31   1HG   GLU   4          2HG       GLU   4   3.098   4.701   1.659
   32   2HG   GLU   4          1HG       GLU   4   1.857   4.200   2.826
   33    H    ASN   5           H        ASN   5   4.051   2.179   3.450
   34    HA   ASN   5           HA       ASN   5   6.622   2.436   2.064
   35   1HB   ASN   5          2HB       ASN   5   6.954   1.571   4.542
   36   2HB   ASN   5          1HB       ASN   5   6.118   0.145   3.927
   37   1HD2  ASN   5          1HD2      ASN   5   9.026   2.009   3.763
   38   2HD2  ASN   5          2HD2      ASN   5   9.987   0.820   2.966
   39    H    LEU   6           H        LEU   6   6.982   0.428   0.797
   40    HA   LEU   6           HA       LEU   6   4.799   0.143  -0.894
   41   1HB   LEU   6          2HB       LEU   6   7.452  -1.042  -0.534
   42   2HB   LEU   6          1HB       LEU   6   6.363  -1.650  -1.747
   43    HG   LEU   6           HG       LEU   6   7.453   1.174  -1.603
   44   1HD1  LEU   6          1HD1      LEU   6   8.130  -1.121  -3.449
   45   2HD1  LEU   6          2HD1      LEU   6   9.166  -0.491  -2.173
   46   3HD1  LEU   6          3HD1      LEU   6   8.764   0.519  -3.564
   47   1HD2  LEU   6          1HD2      LEU   6   5.254   1.077  -2.655
   48   2HD2  LEU   6          2HD2      LEU   6   5.811  -0.224  -3.706
   49   3HD2  LEU   6          3HD2      LEU   6   6.510   1.385  -3.852
   50    H    ALA   7           H        ALA   7   3.471  -1.567  -1.231
   51    HA   ALA   7           HA       ALA   7   2.989  -3.452   0.812
   52   1HB   ALA   7          1HB       ALA   7   1.256  -2.730  -0.726
   53   2HB   ALA   7          2HB       ALA   7   1.494  -4.475  -0.863
   54   3HB   ALA   7          3HB       ALA   7   2.162  -3.391  -2.084
   55    H    ASN   8           H        ASN   8   3.861  -5.372   1.098
   56    HA   ASN   8           HA       ASN   8   6.334  -5.916  -0.258
   57   1HB   ASN   8          2HB       ASN   8   4.959  -7.514   1.910
   58   2HB   ASN   8          1HB       ASN   8   6.597  -7.771   1.323
   59   1HD2  ASN   8          1HD2      ASN   8   4.497  -5.791   3.215
   60   2HD2  ASN   8          2HD2      ASN   8   5.746  -4.839   3.949
   61    H    THR   9           H        THR   9   3.218  -7.480   0.059
   62    HA   THR   9           HA       THR   9   4.141  -9.562  -1.722
   63    HB   THR   9           HB       THR   9   1.846 -10.561  -1.065
   64    HG1  THR   9           1HG      THR   9   2.020  -9.300   1.348
   65   1HG2  THR   9          1HG2      THR   9   4.047 -10.219   0.972
   66   2HG2  THR   9          2HG2      THR   9   4.030 -11.402  -0.328
   67   3HG2  THR   9          3HG2      THR   9   2.832 -11.496   0.964
   68    H    TYR  10           H        TYR  10   3.256  -6.766  -2.479
   69    HA   TYR  10           HA       TYR  10   1.219  -7.591  -4.425
   70   1HB   TYR  10          2HB       TYR  10   0.648  -5.581  -3.060
   71   2HB   TYR  10          1HB       TYR  10   2.058  -4.757  -3.716
   72    HD1  TYR  10           1HD      TYR  10   2.017  -3.890  -6.000
   73    HD2  TYR  10           2HD      TYR  10  -1.331  -5.985  -4.418
   74    HE1  TYR  10           1HE      TYR  10   0.635  -3.076  -7.860
   75    HE2  TYR  10           2HE      TYR  10  -2.720  -5.173  -6.284
   76    HH   TYR  10           HH       TYR  10  -1.353  -3.694  -9.033
   77    H    ARG  11           H        ARG  11   2.308  -8.495  -5.963
   78    HA   ARG  11           HA       ARG  11   4.679  -7.156  -7.015
   79   1HB   ARG  11          2HB       ARG  11   4.965  -9.500  -6.354
   80   2HB   ARG  11          1HB       ARG  11   3.685  -9.977  -7.456
   81   1HG   ARG  11          2HG       ARG  11   5.904 -10.471  -8.365
   82   2HG   ARG  11          1HG       ARG  11   5.040  -9.297  -9.358
   83   1HD   ARG  11          2HD       ARG  11   7.410  -8.700  -9.038
   84   2HD   ARG  11          1HD       ARG  11   6.317  -7.481  -8.390
   85    HE   ARG  11           HE       ARG  11   7.144  -9.409  -6.456
   86   1HH1  ARG  11          1HH1      ARG  11   8.122  -6.403  -8.070
   87   2HH1  ARG  11          2HH1      ARG  11   9.136  -5.876  -6.817
   88   1HH2  ARG  11          1HH2      ARG  11   8.516  -8.681  -4.703
   89   2HH2  ARG  11          2HH2      ARG  11   9.373  -7.227  -4.819
   90    H    GLY  12           H        GLY  12   4.137  -5.747  -8.512
   91   1HA   GLY  12          2HA       GLY  12   3.672  -5.999 -11.014
   92   2HA   GLY  12          1HA       GLY  12   2.051  -6.393 -10.439
   93    HA   PRO  13           HA       PRO  13   2.551  -1.717 -10.534
   94   1HB   PRO  13          2HB       PRO  13   0.794  -1.697 -12.877
   95   2HB   PRO  13          1HB       PRO  13   2.369  -0.926 -12.665
   96   1HG   PRO  13          2HG       PRO  13   2.038  -3.014 -14.315
   97   2HG   PRO  13          1HG       PRO  13   3.524  -2.763 -13.371
   98   1HD   PRO  13          2HD       PRO  13   1.209  -4.595 -12.776
   99   2HD   PRO  13          1HD       PRO  13   2.954  -4.939 -12.714
  100    H    CYS  14           H        CYS  14   0.909  -0.336  -9.893
  101    HA   CYS  14           HA       CYS  14  -1.626  -1.619  -9.223
  102   1HB   CYS  14          2HB       CYS  14  -0.364  -0.910  -7.285
  103   2HB   CYS  14          1HB       CYS  14  -0.126   0.689  -7.982
  104    H    PHE  15           H        PHE  15  -3.507  -0.595  -9.826
  105    HA   PHE  15           HA       PHE  15  -3.148   1.801 -11.480
  106   1HB   PHE  15          2HB       PHE  15  -5.119  -0.435 -11.982
  107   2HB   PHE  15          1HB       PHE  15  -4.867   0.992 -12.982
  108    HD1  PHE  15           1HD      PHE  15  -3.886  -2.366 -12.365
  109    HD2  PHE  15           2HD      PHE  15  -2.542   1.315 -14.010
  110    HE1  PHE  15           1HE      PHE  15  -2.127  -3.558 -13.595
  111    HE2  PHE  15           2HE      PHE  15  -0.787   0.123 -15.248
  112    HZ   PHE  15           HZ       PHE  15  -0.577  -2.313 -15.039
  113    H    THR  16           H        THR  16  -4.900   0.359  -8.869
  114    HA   THR  16           HA       THR  16  -6.526   2.776  -8.634
  115    HB   THR  16           HB       THR  16  -7.720  -0.011  -8.431
  116    HG1  THR  16           1HG      THR  16  -7.314   1.674 -10.563
  117   1HG2  THR  16          1HG2      THR  16  -9.015   2.721  -8.516
  118   2HG2  THR  16          2HG2      THR  16  -8.835   1.711  -7.081
  119   3HG2  THR  16          3HG2      THR  16  -9.860   1.171  -8.409
  120    H    THR  17           H        THR  17  -6.837   3.392  -6.491
  121    HA   THR  17           HA       THR  17  -5.213   2.294  -4.502
  122    HB   THR  17           HB       THR  17  -7.425   4.324  -4.434
  123    HG1  THR  17           1HG      THR  17  -5.754   5.346  -5.212
  124   1HG2  THR  17          1HG2      THR  17  -6.667   4.917  -2.123
  125   2HG2  THR  17          2HG2      THR  17  -5.685   3.445  -2.102
  126   3HG2  THR  17          3HG2      THR  17  -7.432   3.336  -2.219
  127    H    GLY  18           H        GLY  18  -8.662   1.783  -5.156
  128   1HA   GLY  18          2HA       GLY  18  -9.356   0.391  -2.860
  129   2HA   GLY  18          1HA       GLY  18 -10.060   0.119  -4.445
  130    H    SER  19           H        SER  19  -7.439  -0.715  -5.584
  131    HA   SER  19           HA       SER  19  -7.640  -3.508  -4.990
  132   1HB   SER  19          2HB       SER  19  -5.542  -2.045  -6.608
  133   2HB   SER  19          1HB       SER  19  -5.990  -3.747  -6.727
  134    HG   SER  19           HG       SER  19  -7.917  -3.196  -7.586
  135    H    CYS  20           H        CYS  20  -5.365  -0.892  -4.486
  136    HA   CYS  20           HA       CYS  20  -3.309  -2.391  -3.256
  137   1HB   CYS  20          2HB       CYS  20  -2.918  -0.149  -4.335
  138   2HB   CYS  20          1HB       CYS  20  -3.931   0.554  -3.134
  139    H    ASP  21           H        ASP  21  -5.926  -0.350  -1.996
  140    HA   ASP  21           HA       ASP  21  -5.174  -0.483   0.698
  141   1HB   ASP  21          2HB       ASP  21  -6.654   1.233  -0.169
  142   2HB   ASP  21          1HB       ASP  21  -7.928   0.028  -0.442
  143    H    ASP  22           H        ASP  22  -7.358  -2.520  -1.196
  144    HA   ASP  22           HA       ASP  22  -8.255  -4.053   1.020
  145   1HB   ASP  22          2HB       ASP  22  -9.366  -4.215  -1.206
  146   2HB   ASP  22          1HB       ASP  22  -7.941  -5.043  -1.828
  147    H    HIS  23           H        HIS  23  -5.589  -4.361  -1.163
  148    HA   HIS  23           HA       HIS  23  -4.561  -6.758  -0.198
  149   1HB   HIS  23          2HB       HIS  23  -3.749  -5.876  -2.282
  150   2HB   HIS  23          1HB       HIS  23  -3.200  -4.395  -1.506
  151    HD1  HIS  23           1HD      HIS  23  -2.325  -8.015  -1.884
  152    HD2  HIS  23           2HD      HIS  23  -0.722  -4.541  -0.301
  153    HE1  HIS  23           1HE      HIS  23  -0.023  -8.609  -1.202
  154    HE2  HIS  23           2HE      HIS  23   0.813  -6.524   0.013
  155    H    CYS  24           H        CYS  24  -3.807  -3.439   0.761
  156    HA   CYS  24           HA       CYS  24  -1.932  -4.256   2.676
  157   1HB   CYS  24          2HB       CYS  24  -3.376  -1.632   2.351
  158   2HB   CYS  24          1HB       CYS  24  -2.019  -1.891   3.446
  159    H    LYS  25           H        LYS  25  -5.472  -3.543   2.978
  160    HA   LYS  25           HA       LYS  25  -5.432  -3.705   5.795
  161   1HB   LYS  25          2HB       LYS  25  -7.431  -3.589   3.621
  162   2HB   LYS  25          1HB       LYS  25  -7.939  -4.088   5.206
  163   1HG   LYS  25          2HG       LYS  25  -7.109  -1.914   6.093
  164   2HG   LYS  25          1HG       LYS  25  -6.683  -1.453   4.437
  165   1HD   LYS  25          2HD       LYS  25  -8.987  -1.631   3.743
  166   2HD   LYS  25          1HD       LYS  25  -9.456  -2.254   5.321
  167   1HE   LYS  25          2HE       LYS  25 -10.063   0.103   5.042
  168   2HE   LYS  25          1HE       LYS  25  -8.896  -0.134   6.341
  169   1HZ   LYS  25          1HZ       LYS  25  -8.115   0.691   3.599
  170   2HZ   LYS  25          2HZ       LYS  25  -7.194   0.749   5.040
  171   3HZ   LYS  25          3HZ       LYS  25  -8.497   1.777   4.823
  172    H    ASN  26           H        ASN  26  -6.693  -5.794   3.227
  173    HA   ASN  26           HA       ASN  26  -7.538  -7.823   4.997
  174   1HB   ASN  26          2HB       ASN  26  -8.847  -7.413   3.097
  175   2HB   ASN  26          1HB       ASN  26  -7.462  -7.420   2.033
  176   1HD2  ASN  26          1HD2      ASN  26  -8.413  -8.760   0.669
  177   2HD2  ASN  26          2HD2      ASN  26  -8.646 -10.446   0.953
  178    H    LYS  27           H        LYS  27  -4.773  -7.555   2.724
  179    HA   LYS  27           HA       LYS  27  -4.004 -10.223   3.589
  180   1HB   LYS  27          2HB       LYS  27  -3.895  -9.788   1.124
  181   2HB   LYS  27          1HB       LYS  27  -2.728  -8.525   1.445
  182   1HG   LYS  27          2HG       LYS  27  -1.089 -10.069   2.155
  183   2HG   LYS  27          1HG       LYS  27  -2.248 -11.393   2.195
  184   1HD   LYS  27          2HD       LYS  27  -2.507 -11.261  -0.221
  185   2HD   LYS  27          1HD       LYS  27  -1.402  -9.889  -0.275
  186   1HE   LYS  27          2HE       LYS  27  -0.268 -11.947  -0.934
  187   2HE   LYS  27          1HE       LYS  27   0.405 -11.304   0.559
  188   1HZ   LYS  27          1HZ       LYS  27  -0.787 -12.983   1.804
  189   2HZ   LYS  27          2HZ       LYS  27   0.104 -13.712   0.581
  190   3HZ   LYS  27          3HZ       LYS  27  -1.554 -13.536   0.399
  191    H    GLU  28           H        GLU  28  -2.586  -6.949   3.568
  192    HA   GLU  28           HA       GLU  28  -0.423  -8.100   5.115
  193   1HB   GLU  28          2HB       GLU  28  -0.580  -5.356   3.899
  194   2HB   GLU  28          1HB       GLU  28   0.810  -5.967   4.792
  195   1HG   GLU  28          2HG       GLU  28   0.563  -7.972   3.109
  196   2HG   GLU  28          1HG       GLU  28  -0.278  -6.793   2.158
  197    H    HIS  29           H        HIS  29  -3.224  -6.657   5.774
  198    HA   HIS  29           HA       HIS  29  -4.236  -5.823   7.525
  199   1HB   HIS  29          2HB       HIS  29  -2.260  -7.606   8.905
  200   2HB   HIS  29          1HB       HIS  29  -3.477  -6.715   9.817
  201    HD1  HIS  29           1HD      HIS  29  -5.903  -7.461   9.579
  202    HD2  HIS  29           2HD      HIS  29  -3.251  -9.680   7.298
  203    HE1  HIS  29           1HE      HIS  29  -7.223  -9.436   8.745
  204    HE2  HIS  29           2HE      HIS  29  -5.649 -10.586   7.146
  205    H    LEU  30           H        LEU  30  -2.741  -3.957   6.517
  206    HA   LEU  30           HA       LEU  30  -1.814  -2.477   8.864
  207   1HB   LEU  30          2HB       LEU  30  -1.179  -2.036   5.946
  208   2HB   LEU  30          1HB       LEU  30  -0.646  -0.989   7.244
  209    HG   LEU  30           HG       LEU  30   0.161  -3.878   6.884
  210   1HD1  LEU  30          1HD1      LEU  30   1.730  -1.335   6.507
  211   2HD1  LEU  30          2HD1      LEU  30   1.202  -2.444   5.238
  212   3HD1  LEU  30          3HD1      LEU  30   2.383  -2.972   6.433
  213   1HD2  LEU  30          1HD2      LEU  30   1.750  -3.430   8.720
  214   2HD2  LEU  30          2HD2      LEU  30   0.074  -3.318   9.236
  215   3HD2  LEU  30          3HD2      LEU  30   1.006  -1.847   8.958
  216    H    ARG  31           H        ARG  31  -2.062   0.097   7.886
  217    HA   ARG  31           HA       ARG  31  -4.727   0.633   8.685
  218   1HB   ARG  31          2HB       ARG  31  -2.604   2.134   8.873
  219   2HB   ARG  31          1HB       ARG  31  -2.918   2.518   7.248
  220   1HG   ARG  31          2HG       ARG  31  -5.210   3.287   7.815
  221   2HG   ARG  31          1HG       ARG  31  -4.771   3.110   9.518
  222   1HD   ARG  31          2HD       ARG  31  -2.887   4.642   9.171
  223   2HD   ARG  31          1HD       ARG  31  -3.369   4.836   7.488
  224    HE   ARG  31           HE       ARG  31  -4.678   5.924   9.842
  225   1HH1  ARG  31          1HH1      ARG  31  -5.008   5.365   6.338
  226   2HH1  ARG  31          2HH1      ARG  31  -5.899   6.783   6.090
  227   1HH2  ARG  31          1HH2      ARG  31  -5.907   7.859   9.449
  228   2HH2  ARG  31          2HH2      ARG  31  -6.417   8.235   7.872
  229    H    SER  32           H        SER  32  -3.112   1.489   5.677
  230    HA   SER  32           HA       SER  32  -5.584   1.149   4.150
  231   1HB   SER  32          2HB       SER  32  -3.982   3.680   3.967
  232   2HB   SER  32          1HB       SER  32  -5.618   3.365   3.427
  233    HG   SER  32           HG       SER  32  -6.349   3.402   5.536
  234    H    GLY  33           H        GLY  33  -4.970   1.694   1.885
  235   1HA   GLY  33          2HA       GLY  33  -2.153   1.406   1.312
  236   2HA   GLY  33          1HA       GLY  33  -3.241   0.213   0.606
  237    H    ARG  34           H        ARG  34  -1.610   2.530  -0.400
  238    HA   ARG  34           HA       ARG  34  -3.756   3.649  -2.045
  239   1HB   ARG  34          2HB       ARG  34  -1.610   5.224  -0.673
  240   2HB   ARG  34          1HB       ARG  34  -2.404   5.785  -2.139
  241   1HG   ARG  34          2HG       ARG  34  -4.495   5.644  -1.092
  242   2HG   ARG  34          1HG       ARG  34  -3.783   5.118   0.447
  243   1HD   ARG  34          2HD       ARG  34  -3.340   7.775  -0.964
  244   2HD   ARG  34          1HD       ARG  34  -4.240   7.534   0.528
  245    HE   ARG  34           HE       ARG  34  -1.615   6.584   0.889
  246   1HH1  ARG  34          1HH1      ARG  34  -3.283   9.709   0.476
  247   2HH1  ARG  34          2HH1      ARG  34  -2.147  10.563   1.403
  248   1HH2  ARG  34          1HH2      ARG  34  -0.067   7.775   2.061
  249   2HH2  ARG  34          2HH2      ARG  34  -0.223   9.459   2.305
  250    H    CYS  35           H        CYS  35  -3.468   4.166  -3.887
  251    HA   CYS  35           HA       CYS  35  -1.211   2.838  -5.188
  252   1HB   CYS  35          2HB       CYS  35  -3.658   2.422  -5.687
  253   2HB   CYS  35          1HB       CYS  35  -3.661   4.005  -6.471
  254    H    ARG  36           H        ARG  36   0.387   4.236  -5.360
  255    HA   ARG  36           HA       ARG  36  -0.364   7.018  -5.441
  256   1HB   ARG  36          2HB       ARG  36   2.362   5.916  -4.909
  257   2HB   ARG  36          1HB       ARG  36   1.843   7.585  -4.705
  258   1HG   ARG  36          2HG       ARG  36   0.079   6.633  -3.132
  259   2HG   ARG  36          1HG       ARG  36   1.057   5.173  -3.141
  260   1HD   ARG  36          2HD       ARG  36   1.682   7.903  -2.079
  261   2HD   ARG  36          1HD       ARG  36   1.845   6.342  -1.287
  262    HE   ARG  36           HE       ARG  36   3.596   6.518  -3.481
  263   1HH1  ARG  36          1HH1      ARG  36   3.181   7.293  -0.060
  264   2HH1  ARG  36          2HH1      ARG  36   4.761   7.849   0.192
  265   1HH2  ARG  36          1HH2      ARG  36   5.830   7.259  -3.166
  266   2HH2  ARG  36          2HH2      ARG  36   6.317   7.816  -1.629
  267    H    ASP  37           H        ASP  37   1.509   8.395  -6.524
  268    HA   ASP  37           HA       ASP  37   1.039   8.304  -9.274
  269   1HB   ASP  37          2HB       ASP  37   1.595  10.346  -8.035
  270   2HB   ASP  37          1HB       ASP  37   3.214   9.731  -7.749
  271    H    ASP  38           H        ASP  38   3.487   6.880  -7.377
  272    HA   ASP  38           HA       ASP  38   5.344   6.373  -9.505
  273   1HB   ASP  38          2HB       ASP  38   6.561   5.110  -7.743
  274   2HB   ASP  38          1HB       ASP  38   6.196   6.769  -7.296
  275    H    PHE  39           H        PHE  39   2.449   5.087  -8.908
  276    HA   PHE  39           HA       PHE  39   1.292   3.399  -9.776
  277   1HB   PHE  39          2HB       PHE  39   3.814   2.602 -11.265
  278   2HB   PHE  39          1HB       PHE  39   2.214   1.952 -11.537
  279    HD1  PHE  39           1HD      PHE  39   0.391   3.441 -12.340
  280    HD2  PHE  39           2HD      PHE  39   4.460   4.658 -12.239
  281    HE1  PHE  39           1HE      PHE  39  -0.115   5.247 -13.930
  282    HE2  PHE  39           2HE      PHE  39   3.966   6.468 -13.820
  283    HZ   PHE  39           HZ       PHE  39   1.671   6.767 -14.670
  284    H    ARG  40           H        ARG  40   3.299   2.905  -7.370
  285    HA   ARG  40           HA       ARG  40   2.658   0.072  -7.403
  286   1HB   ARG  40          2HB       ARG  40   4.879   1.460  -5.905
  287   2HB   ARG  40          1HB       ARG  40   4.381  -0.190  -5.575
  288   1HG   ARG  40          2HG       ARG  40   4.900  -0.761  -7.936
  289   2HG   ARG  40          1HG       ARG  40   5.523   0.873  -8.152
  290   1HD   ARG  40          2HD       ARG  40   7.355  -0.652  -7.731
  291   2HD   ARG  40          1HD       ARG  40   7.177   0.448  -6.368
  292    HE   ARG  40           HE       ARG  40   5.803  -1.630  -5.455
  293   1HH1  ARG  40          1HH1      ARG  40   8.881  -1.658  -7.186
  294   2HH1  ARG  40          2HH1      ARG  40   9.490  -3.040  -6.401
  295   1HH2  ARG  40          1HH2      ARG  40   6.661  -3.510  -4.312
  296   2HH2  ARG  40          2HH2      ARG  40   8.222  -4.083  -4.690
  297    H    CYS  41           H        CYS  41   2.260  -0.847  -5.252
  298    HA   CYS  41           HA       CYS  41   0.188   0.684  -3.982
  299   1HB   CYS  41          2HB       CYS  41  -0.248  -1.557  -4.660
  300   2HB   CYS  41          1HB       CYS  41   1.121  -2.181  -3.741
  301    H    TRP  42           H        TRP  42   0.536   1.737  -2.187
  302    HA   TRP  42           HA       TRP  42   2.840   1.052  -0.503
  303   1HB   TRP  42          2HB       TRP  42   1.486   3.685  -1.072
  304   2HB   TRP  42          1HB       TRP  42   2.579   3.429   0.280
  305    HD1  TRP  42           HD       TRP  42   2.673   3.116  -3.580
  306    HE1  TRP  42           1HE      TRP  42   4.996   3.795  -4.367
  307    HE3  TRP  42           3HE      TRP  42   4.785   3.932   0.973
  308    HZ2  TRP  42           2HZ      TRP  42   7.479   4.576  -3.168
  309    HZ3  TRP  42           3HZ      TRP  42   7.084   4.643   1.103
  310    HH2  TRP  42           HH       TRP  42   8.446   4.967  -0.935
  311    H    CYS  43           H        CYS  43   2.286   0.425   1.473
  312    HA   CYS  43           HA       CYS  43  -0.506   0.610   2.266
  313   1HB   CYS  43          2HB       CYS  43   1.795  -0.926   3.485
  314   2HB   CYS  43          1HB       CYS  43   0.115  -1.017   3.990
  315    H    THR  44           H        THR  44  -1.120   1.893   3.966
  316    HA   THR  44           HA       THR  44   0.892   3.686   5.032
  317    HB   THR  44           HB       THR  44  -2.128   3.701   5.358
  318    HG1  THR  44           1HG      THR  44  -0.598   5.118   3.362
  319   1HG2  THR  44          1HG2      THR  44  -1.777   6.099   5.841
  320   2HG2  THR  44          2HG2      THR  44  -0.035   5.851   5.659
  321   3HG2  THR  44          3HG2      THR  44  -0.907   5.053   6.962
  322    H    ARG  45           H        ARG  45   1.344   3.502   7.263
  323    HA   ARG  45           HA       ARG  45  -0.438   1.855   8.843
  324   1HB   ARG  45          2HB       ARG  45   1.482   0.729   9.945
  325   2HB   ARG  45          1HB       ARG  45   1.303   0.307   8.253
  326   1HG   ARG  45          2HG       ARG  45   3.134   1.841   7.694
  327   2HG   ARG  45          1HG       ARG  45   3.320   2.223   9.411
  328   1HD   ARG  45          2HD       ARG  45   3.813  -0.109   9.890
  329   2HD   ARG  45          1HD       ARG  45   3.572  -0.526   8.199
  330    HE   ARG  45           HE       ARG  45   5.571   1.480   8.611
  331   1HH1  ARG  45          1HH1      ARG  45   4.974  -2.029   8.414
  332   2HH1  ARG  45          2HH1      ARG  45   6.604  -2.397   8.153
  333   1HH2  ARG  45          1HH2      ARG  45   7.808   0.913   8.268
  334   2HH2  ARG  45          2HH2      ARG  45   8.237  -0.734   8.086
  335    H    ASN  46           H        ASN  46  -0.569   2.410  11.017
  336    HA   ASN  46           HA       ASN  46  -0.039   5.091  11.578
  337   1HB   ASN  46          2HB       ASN  46  -1.182   2.752  13.012
  338   2HB   ASN  46          1HB       ASN  46  -0.863   4.250  13.847
  339   1HD2  ASN  46          1HD2      ASN  46  -2.871   2.570  11.620
  340   2HD2  ASN  46          2HD2      ASN  46  -4.058   3.814  11.438
  341    H    CYS  47           H        CYS  47   1.587   5.971  12.705
  342    HA   CYS  47           HA       CYS  47   3.194   4.289  14.388
  343   1HB   CYS  47          2HB       CYS  47   5.242   5.549  13.452
  344   2HB   CYS  47          1HB       CYS  47   4.552   4.308  12.418
  Start of MODEL    2
    1   1H    LYS   1          1HT       LYS   1   2.795   8.079  13.701
    2   2H    LYS   1          2HT       LYS   1   1.159   8.330  13.457
    3   3H    LYS   1          3HT       LYS   1   2.043   9.476  14.333
    4    HA   LYS   1           HA       LYS   1   1.693  10.276  12.074
    5   1HB   LYS   1          2HB       LYS   1   4.435   9.024  12.185
    6   2HB   LYS   1          1HB       LYS   1   3.970  10.452  11.299
    7   1HG   LYS   1          2HG       LYS   1   3.713  11.747  13.278
    8   2HG   LYS   1          1HG       LYS   1   3.881  10.328  14.300
    9   1HD   LYS   1          2HD       LYS   1   6.028  11.419  12.492
   10   2HD   LYS   1          1HD       LYS   1   5.929  11.731  14.226
   11   1HE   LYS   1          2HE       LYS   1   6.073   9.251  14.604
   12   2HE   LYS   1          1HE       LYS   1   6.327   9.047  12.877
   13   1HZ   LYS   1          1HZ       LYS   1   8.345  10.337  13.045
   14   2HZ   LYS   1          2HZ       LYS   1   8.383   9.040  14.141
   15   3HZ   LYS   1          3HZ       LYS   1   8.078  10.598  14.686
   16    H    THR   2           H        THR   2   2.717   9.632   9.749
   17    HA   THR   2           HA       THR   2   1.976   6.847   9.348
   18    HB   THR   2           HB       THR   2   1.222   7.579   7.062
   19    HG1  THR   2           1HG      THR   2   2.063   9.714   7.151
   20   1HG2  THR   2          1HG2      THR   2  -1.041   8.220   7.866
   21   2HG2  THR   2          2HG2      THR   2  -0.365   8.486   9.475
   22   3HG2  THR   2          3HG2      THR   2  -0.364   6.867   8.776
   23    H    CYS   3           H        CYS   3   3.268   5.678   8.296
   24    HA   CYS   3           HA       CYS   3   5.464   6.870   6.766
   25   1HB   CYS   3          2HB       CYS   3   5.554   4.464   8.629
   26   2HB   CYS   3          1HB       CYS   3   6.864   4.923   7.546
   27    H    GLU   4           H        GLU   4   5.750   5.886   4.732
   28    HA   GLU   4           HA       GLU   4   3.759   3.815   4.148
   29   1HB   GLU   4          2HB       GLU   4   3.222   6.243   3.581
   30   2HB   GLU   4          1HB       GLU   4   4.514   6.119   2.426
   31   1HG   GLU   4          2HG       GLU   4   3.358   4.504   1.169
   32   2HG   GLU   4          1HG       GLU   4   2.084   4.378   2.389
   33    H    ASN   5           H        ASN   5   4.393   2.281   2.724
   34    HA   ASN   5           HA       ASN   5   6.893   2.493   1.248
   35   1HB   ASN   5          2HB       ASN   5   6.368   0.288   3.292
   36   2HB   ASN   5          1HB       ASN   5   7.543   0.170   2.005
   37   1HD2  ASN   5          1HD2      ASN   5   9.434   1.233   2.176
   38   2HD2  ASN   5          2HD2      ASN   5  10.002   1.978   3.616
   39    H    LEU   6           H        LEU   6   7.077   0.808  -0.296
   40    HA   LEU   6           HA       LEU   6   4.750   0.436  -1.736
   41   1HB   LEU   6          2HB       LEU   6   7.453  -0.739  -1.675
   42   2HB   LEU   6          1HB       LEU   6   6.295  -1.112  -2.928
   43    HG   LEU   6           HG       LEU   6   7.272   1.694  -2.358
   44   1HD1  LEU   6          1HD1      LEU   6   8.267  -0.264  -4.430
   45   2HD1  LEU   6          2HD1      LEU   6   9.164   0.280  -3.013
   46   3HD1  LEU   6          3HD1      LEU   6   8.742   1.426  -4.284
   47   1HD2  LEU   6          1HD2      LEU   6   6.416   2.131  -4.602
   48   2HD2  LEU   6          2HD2      LEU   6   5.144   1.531  -3.541
   49   3HD2  LEU   6          3HD2      LEU   6   5.882   0.457  -4.730
   50    H    ALA   7           H        ALA   7   3.394  -1.333  -1.866
   51    HA   ALA   7           HA       ALA   7   3.159  -3.107   0.273
   52   1HB   ALA   7          1HB       ALA   7   1.559  -4.285  -1.181
   53   2HB   ALA   7          2HB       ALA   7   2.104  -3.271  -2.528
   54   3HB   ALA   7          3HB       ALA   7   1.299  -2.541  -1.145
   55    H    ASN   8           H        ASN   8   3.796  -5.122   0.562
   56    HA   ASN   8           HA       ASN   8   6.228  -5.859  -0.815
   57   1HB   ASN   8          2HB       ASN   8   4.816  -7.134   1.534
   58   2HB   ASN   8          1HB       ASN   8   6.404  -7.590   0.927
   59   1HD2  ASN   8          1HD2      ASN   8   4.563  -5.162   2.605
   60   2HD2  ASN   8          2HD2      ASN   8   5.917  -4.286   3.229
   61    H    THR   9           H        THR   9   2.968  -7.032  -0.437
   62    HA   THR   9           HA       THR   9   3.712  -9.282  -2.140
   63    HB   THR   9           HB       THR   9   1.583 -10.387  -1.218
   64    HG1  THR   9           1HG      THR   9   1.884  -8.193   0.577
   65   1HG2  THR   9          1HG2      THR   9   3.874  -9.768   0.640
   66   2HG2  THR   9          2HG2      THR   9   3.827 -11.081  -0.538
   67   3HG2  THR   9          3HG2      THR   9   2.738 -11.095   0.849
   68    H    TYR  10           H        TYR  10   2.586  -6.479  -2.642
   69    HA   TYR  10           HA       TYR  10   0.495  -7.313  -4.568
   70   1HB   TYR  10          2HB       TYR  10   0.021  -5.378  -2.900
   71   2HB   TYR  10          1HB       TYR  10   1.233  -4.483  -3.792
   72    HD1  TYR  10           1HD      TYR  10   0.686  -4.586  -6.520
   73    HD2  TYR  10           2HD      TYR  10  -2.147  -4.778  -3.356
   74    HE1  TYR  10           1HE      TYR  10  -1.040  -3.697  -8.022
   75    HE2  TYR  10           2HE      TYR  10  -3.885  -3.900  -4.854
   76    HH   TYR  10           HH       TYR  10  -3.474  -3.729  -8.197
   77    H    ARG  11           H        ARG  11   1.150  -7.340  -6.662
   78    HA   ARG  11           HA       ARG  11   3.504  -5.800  -7.379
   79   1HB   ARG  11          2HB       ARG  11   4.188  -8.098  -6.663
   80   2HB   ARG  11          1HB       ARG  11   3.214  -8.733  -7.981
   81   1HG   ARG  11          2HG       ARG  11   4.602  -7.508  -9.576
   82   2HG   ARG  11          1HG       ARG  11   5.602  -6.925  -8.242
   83   1HD   ARG  11          2HD       ARG  11   5.180  -9.789  -9.058
   84   2HD   ARG  11          1HD       ARG  11   6.646  -8.834  -9.287
   85    HE   ARG  11           HE       ARG  11   6.039  -8.834  -6.575
   86   1HH1  ARG  11          1HH1      ARG  11   7.080 -11.115  -9.062
   87   2HH1  ARG  11          2HH1      ARG  11   7.797 -12.206  -7.971
   88   1HH2  ARG  11          1HH2      ARG  11   7.012 -10.317  -5.068
   89   2HH2  ARG  11          2HH2      ARG  11   7.823 -11.704  -5.628
   90    H    GLY  12           H        GLY  12   3.183  -4.863  -9.297
   91   1HA   GLY  12          2HA       GLY  12   2.560  -5.355 -11.643
   92   2HA   GLY  12          1HA       GLY  12   1.033  -5.934 -10.979
   93    HA   PRO  13           HA       PRO  13   0.852  -1.324 -11.949
   94   1HB   PRO  13          2HB       PRO  13  -1.262  -2.100 -13.843
   95   2HB   PRO  13          1HB       PRO  13   0.149  -1.072 -14.106
   96   1HG   PRO  13          2HG       PRO  13  -0.023  -3.531 -15.181
   97   2HG   PRO  13          1HG       PRO  13   1.520  -2.857 -14.626
   98   1HD   PRO  13          2HD       PRO  13  -0.284  -4.819 -13.255
   99   2HD   PRO  13          1HD       PRO  13   1.486  -4.827 -13.406
  100    H    CYS  14           H        CYS  14  -0.129  -0.704 -10.190
  101    HA   CYS  14           HA       CYS  14  -2.693  -1.691  -9.348
  102   1HB   CYS  14          2HB       CYS  14  -1.039  -1.284  -7.645
  103   2HB   CYS  14          1HB       CYS  14  -0.754   0.344  -8.245
  104    H    PHE  15           H        PHE  15  -4.530  -0.635  -9.617
  105    HA   PHE  15           HA       PHE  15  -4.402   2.047 -10.812
  106   1HB   PHE  15          2HB       PHE  15  -6.449  -0.093 -11.420
  107   2HB   PHE  15          1HB       PHE  15  -6.491   1.550 -12.043
  108    HD1  PHE  15           1HD      PHE  15  -5.301  -1.759 -12.562
  109    HD2  PHE  15           2HD      PHE  15  -4.488   2.322 -13.450
  110    HE1  PHE  15           1HE      PHE  15  -3.892  -2.454 -14.454
  111    HE2  PHE  15           2HE      PHE  15  -3.082   1.633 -15.347
  112    HZ   PHE  15           HZ       PHE  15  -2.783  -0.757 -15.850
  113    H    THR  16           H        THR  16  -6.066  -0.017  -8.492
  114    HA   THR  16           HA       THR  16  -7.700   2.290  -7.766
  115    HB   THR  16           HB       THR  16  -8.381  -0.628  -7.383
  116    HG1  THR  16           1HG      THR  16  -9.592  -0.400  -9.206
  117   1HG2  THR  16          1HG2      THR  16 -10.648   0.244  -6.961
  118   2HG2  THR  16          2HG2      THR  16 -10.051   1.893  -7.142
  119   3HG2  THR  16          3HG2      THR  16  -9.493   0.896  -5.798
  120    H    THR  17           H        THR  17  -7.364   3.141  -5.855
  121    HA   THR  17           HA       THR  17  -5.517   2.248  -4.007
  122    HB   THR  17           HB       THR  17  -7.675   4.320  -3.959
  123    HG1  THR  17           1HG      THR  17  -6.048   5.068  -5.108
  124   1HG2  THR  17          1HG2      THR  17  -5.757   3.689  -1.696
  125   2HG2  THR  17          2HG2      THR  17  -7.513   3.700  -1.633
  126   3HG2  THR  17          3HG2      THR  17  -6.630   5.209  -1.860
  127    H    GLY  18           H        GLY  18  -9.041   1.777  -4.063
  128   1HA   GLY  18          2HA       GLY  18  -9.391   0.711  -1.523
  129   2HA   GLY  18          1HA       GLY  18 -10.352   0.287  -2.932
  130    H    SER  19           H        SER  19  -8.172  -0.851  -4.432
  131    HA   SER  19           HA       SER  19  -8.320  -3.505  -3.453
  132   1HB   SER  19          2HB       SER  19  -6.610  -2.327  -5.653
  133   2HB   SER  19          1HB       SER  19  -7.026  -4.030  -5.449
  134    HG   SER  19           HG       SER  19  -8.921  -3.693  -6.217
  135    H    CYS  20           H        CYS  20  -5.828  -1.069  -3.750
  136    HA   CYS  20           HA       CYS  20  -3.652  -2.475  -2.682
  137   1HB   CYS  20          2HB       CYS  20  -3.457  -0.297  -3.928
  138   2HB   CYS  20          1HB       CYS  20  -4.307   0.473  -2.642
  139    H    ASP  21           H        ASP  21  -6.029  -0.319  -1.217
  140    HA   ASP  21           HA       ASP  21  -5.161  -0.242   1.422
  141   1HB   ASP  21          2HB       ASP  21  -6.759   1.290   0.650
  142   2HB   ASP  21          1HB       ASP  21  -7.904   0.026   0.185
  143    H    ASP  22           H        ASP  22  -7.611  -2.386   0.015
  144    HA   ASP  22           HA       ASP  22  -8.135  -3.836   2.363
  145   1HB   ASP  22          2HB       ASP  22  -9.611  -3.984   0.427
  146   2HB   ASP  22          1HB       ASP  22  -8.331  -4.737  -0.516
  147    H    HIS  23           H        HIS  23  -5.857  -4.351  -0.221
  148    HA   HIS  23           HA       HIS  23  -4.790  -6.805   0.571
  149   1HB   HIS  23          2HB       HIS  23  -4.382  -5.937  -1.636
  150   2HB   HIS  23          1HB       HIS  23  -3.616  -4.496  -0.983
  151    HD1  HIS  23           1HD      HIS  23  -3.004  -8.143  -1.573
  152    HD2  HIS  23           2HD      HIS  23  -0.955  -4.772  -0.305
  153    HE1  HIS  23           1HE      HIS  23  -0.621  -8.801  -1.500
  154    HE2  HIS  23           2HE      HIS  23   0.502  -6.810  -0.375
  155    H    CYS  24           H        CYS  24  -3.656  -3.517   1.263
  156    HA   CYS  24           HA       CYS  24  -1.446  -4.251   2.818
  157   1HB   CYS  24          2HB       CYS  24  -3.078  -1.724   2.700
  158   2HB   CYS  24          1HB       CYS  24  -1.554  -1.804   3.550
  159    H    LYS  25           H        LYS  25  -4.875  -3.603   3.742
  160    HA   LYS  25           HA       LYS  25  -4.405  -3.600   6.485
  161   1HB   LYS  25          2HB       LYS  25  -6.770  -3.930   4.703
  162   2HB   LYS  25          1HB       LYS  25  -6.887  -4.045   6.436
  163   1HG   LYS  25          2HG       LYS  25  -6.065  -1.732   6.631
  164   2HG   LYS  25          1HG       LYS  25  -5.950  -1.650   4.868
  165   1HD   LYS  25          2HD       LYS  25  -8.336  -2.004   4.659
  166   2HD   LYS  25          1HD       LYS  25  -8.484  -2.214   6.400
  167   1HE   LYS  25          2HE       LYS  25  -7.600   0.312   5.000
  168   2HE   LYS  25          1HE       LYS  25  -9.208   0.018   5.652
  169   1HZ   LYS  25          1HZ       LYS  25  -6.679   0.187   7.200
  170   2HZ   LYS  25          2HZ       LYS  25  -8.179  -0.214   7.858
  171   3HZ   LYS  25          3HZ       LYS  25  -7.934   1.311   7.200
  172    H    ASN  26           H        ASN  26  -5.610  -6.052   4.178
  173    HA   ASN  26           HA       ASN  26  -6.067  -7.907   6.289
  174   1HB   ASN  26          2HB       ASN  26  -7.670  -7.849   4.563
  175   2HB   ASN  26          1HB       ASN  26  -6.449  -8.058   3.315
  176   1HD2  ASN  26          1HD2      ASN  26  -5.783 -10.072   2.802
  177   2HD2  ASN  26          2HD2      ASN  26  -6.423 -11.504   3.515
  178    H    LYS  27           H        LYS  27  -3.773  -7.855   3.532
  179    HA   LYS  27           HA       LYS  27  -2.731 -10.374   4.565
  180   1HB   LYS  27          2HB       LYS  27  -3.183 -10.164   2.104
  181   2HB   LYS  27          1HB       LYS  27  -1.932  -8.938   2.026
  182   1HG   LYS  27          2HG       LYS  27  -0.245 -10.535   2.663
  183   2HG   LYS  27          1HG       LYS  27  -1.466 -11.779   2.912
  184   1HD   LYS  27          2HD       LYS  27  -2.035 -11.677   0.518
  185   2HD   LYS  27          1HD       LYS  27  -0.787 -10.450   0.286
  186   1HE   LYS  27          2HE       LYS  27   0.916 -12.039   1.029
  187   2HE   LYS  27          1HE       LYS  27  -0.325 -13.261   1.286
  188   1HZ   LYS  27          1HZ       LYS  27   0.841 -13.545  -0.845
  189   2HZ   LYS  27          2HZ       LYS  27   0.286 -12.022  -1.346
  190   3HZ   LYS  27          3HZ       LYS  27  -0.805 -13.248  -1.051
  191    H    GLU  28           H        GLU  28  -1.729  -7.044   4.132
  192    HA   GLU  28           HA       GLU  28   0.852  -7.826   5.178
  193   1HB   GLU  28          2HB       GLU  28   0.017  -5.216   3.931
  194   2HB   GLU  28          1HB       GLU  28   1.646  -5.558   4.501
  195   1HG   GLU  28          2HG       GLU  28   1.506  -7.648   2.991
  196   2HG   GLU  28          1HG       GLU  28   0.111  -6.892   2.293
  197    H    HIS  29           H        HIS  29  -1.967  -6.801   6.355
  198    HA   HIS  29           HA       HIS  29  -2.742  -5.856   8.238
  199   1HB   HIS  29          2HB       HIS  29  -1.826  -8.020   9.096
  200   2HB   HIS  29          1HB       HIS  29  -0.325  -7.200   9.505
  201    HD1  HIS  29           1HD      HIS  29  -0.211  -6.462  11.893
  202    HD2  HIS  29           2HD      HIS  29  -4.129  -6.750  10.562
  203    HE1  HIS  29           1HE      HIS  29  -1.639  -5.925  13.876
  204    HE2  HIS  29           2HE      HIS  29  -3.952  -5.802  12.954
  205    H    LEU  30           H        LEU  30  -1.732  -3.957   6.928
  206    HA   LEU  30           HA       LEU  30  -0.331  -2.331   8.910
  207   1HB   LEU  30          2HB       LEU  30  -0.402  -2.083   5.907
  208   2HB   LEU  30          1HB       LEU  30   0.383  -0.939   6.984
  209    HG   LEU  30           HG       LEU  30   1.151  -3.845   6.692
  210   1HD1  LEU  30          1HD1      LEU  30   2.469  -1.359   5.667
  211   2HD1  LEU  30          2HD1      LEU  30   1.713  -2.636   4.703
  212   3HD1  LEU  30          3HD1      LEU  30   3.174  -2.974   5.630
  213   1HD2  LEU  30          1HD2      LEU  30   3.130  -3.196   7.998
  214   2HD2  LEU  30          2HD2      LEU  30   1.637  -3.035   8.912
  215   3HD2  LEU  30          3HD2      LEU  30   2.425  -1.601   8.251
  216    H    ARG  31           H        ARG  31  -0.921   0.154   7.840
  217    HA   ARG  31           HA       ARG  31  -3.389   0.635   9.148
  218   1HB   ARG  31          2HB       ARG  31  -1.421   2.277   8.881
  219   2HB   ARG  31          1HB       ARG  31  -1.935   2.429   7.252
  220   1HG   ARG  31          2HG       ARG  31  -4.134   3.252   7.917
  221   2HG   ARG  31          1HG       ARG  31  -3.624   3.167   9.603
  222   1HD   ARG  31          2HD       ARG  31  -1.906   4.800   9.222
  223   2HD   ARG  31          1HD       ARG  31  -2.252   4.817   7.493
  224    HE   ARG  31           HE       ARG  31  -3.943   5.884   9.630
  225   1HH1  ARG  31          1HH1      ARG  31  -3.277   5.563   6.158
  226   2HH1  ARG  31          2HH1      ARG  31  -4.397   6.747   5.684
  227   1HH2  ARG  31          1HH2      ARG  31  -5.455   7.531   8.965
  228   2HH2  ARG  31          2HH2      ARG  31  -5.639   7.912   7.315
  229    H    SER  32           H        SER  32  -2.494   1.357   5.810
  230    HA   SER  32           HA       SER  32  -5.025   0.534   4.682
  231   1HB   SER  32          2HB       SER  32  -4.154   3.433   4.476
  232   2HB   SER  32          1HB       SER  32  -5.668   2.711   3.956
  233    HG   SER  32           HG       SER  32  -6.437   3.223   5.817
  234    H    GLY  33           H        GLY  33  -4.789   1.444   2.293
  235   1HA   GLY  33          2HA       GLY  33  -1.992   1.461   1.525
  236   2HA   GLY  33          1HA       GLY  33  -3.056   0.244   0.813
  237    H    ARG  34           H        ARG  34  -1.626   2.531  -0.342
  238    HA   ARG  34           HA       ARG  34  -3.927   3.595  -1.737
  239   1HB   ARG  34          2HB       ARG  34  -1.775   5.272  -0.522
  240   2HB   ARG  34          1HB       ARG  34  -2.688   5.809  -1.929
  241   1HG   ARG  34          2HG       ARG  34  -4.690   5.584  -0.776
  242   2HG   ARG  34          1HG       ARG  34  -3.890   5.020   0.707
  243   1HD   ARG  34          2HD       ARG  34  -3.650   7.736  -0.614
  244   2HD   ARG  34          1HD       ARG  34  -4.391   7.373   0.944
  245    HE   ARG  34           HE       ARG  34  -1.621   6.619   0.779
  246   1HH1  ARG  34          1HH1      ARG  34  -3.876   9.165   1.704
  247   2HH1  ARG  34          2HH1      ARG  34  -2.694  10.097   2.501
  248   1HH2  ARG  34          1HH2      ARG  34  -0.047   7.815   1.879
  249   2HH2  ARG  34          2HH2      ARG  34  -0.424   9.309   2.616
  250    H    CYS  35           H        CYS  35  -3.768   4.165  -3.636
  251    HA   CYS  35           HA       CYS  35  -1.565   2.812  -4.987
  252   1HB   CYS  35          2HB       CYS  35  -3.984   2.160  -5.347
  253   2HB   CYS  35          1HB       CYS  35  -4.184   3.715  -6.155
  254    H    ARG  36           H        ARG  36  -0.055   4.141  -5.562
  255    HA   ARG  36           HA       ARG  36  -0.757   6.931  -5.959
  256   1HB   ARG  36          2HB       ARG  36   1.869   5.645  -5.239
  257   2HB   ARG  36          1HB       ARG  36   1.710   7.343  -5.669
  258   1HG   ARG  36          2HG       ARG  36   0.249   7.753  -3.818
  259   2HG   ARG  36          1HG       ARG  36   0.172   6.040  -3.444
  260   1HD   ARG  36          2HD       ARG  36   1.648   7.336  -1.936
  261   2HD   ARG  36          1HD       ARG  36   2.456   6.016  -2.763
  262    HE   ARG  36           HE       ARG  36   2.842   8.336  -4.263
  263   1HH1  ARG  36          1HH1      ARG  36   3.668   7.155  -1.009
  264   2HH1  ARG  36          2HH1      ARG  36   5.203   7.893  -1.008
  265   1HH2  ARG  36          1HH2      ARG  36   4.973   9.360  -4.195
  266   2HH2  ARG  36          2HH2      ARG  36   5.951   9.137  -2.826
  267    H    ASP  37           H        ASP  37   1.092   8.005  -7.437
  268    HA   ASP  37           HA       ASP  37   0.264   7.159 -10.027
  269   1HB   ASP  37          2HB       ASP  37   1.996   9.453  -9.134
  270   2HB   ASP  37          1HB       ASP  37   1.611   9.147 -10.824
  271    H    ASP  38           H        ASP  38   2.565   5.923  -8.244
  272    HA   ASP  38           HA       ASP  38   4.635   5.418 -10.205
  273   1HB   ASP  38          2HB       ASP  38   3.883   3.854  -7.720
  274   2HB   ASP  38          1HB       ASP  38   5.343   3.634  -8.661
  275    H    PHE  39           H        PHE  39   1.456   4.466  -9.679
  276    HA   PHE  39           HA       PHE  39   0.063   2.830 -10.290
  277   1HB   PHE  39          2HB       PHE  39   2.323   2.037 -12.162
  278   2HB   PHE  39          1HB       PHE  39   0.798   1.172 -12.104
  279    HD1  PHE  39           1HD      PHE  39  -1.243   2.188 -12.942
  280    HD2  PHE  39           2HD      PHE  39   2.486   4.223 -13.193
  281    HE1  PHE  39           1HE      PHE  39  -2.199   3.730 -14.594
  282    HE2  PHE  39           2HE      PHE  39   1.531   5.766 -14.847
  283    HZ   PHE  39           HZ       PHE  39  -0.813   5.522 -15.549
  284    H    ARG  40           H        ARG  40   1.855   2.730  -8.133
  285    HA   ARG  40           HA       ARG  40   1.987  -0.148  -7.751
  286   1HB   ARG  40          2HB       ARG  40   3.968   1.866  -6.633
  287   2HB   ARG  40          1HB       ARG  40   3.957   0.137  -6.335
  288   1HG   ARG  40          2HG       ARG  40   4.308  -0.277  -8.721
  289   2HG   ARG  40          1HG       ARG  40   4.382   1.463  -8.993
  290   1HD   ARG  40          2HD       ARG  40   6.621   0.574  -8.860
  291   2HD   ARG  40          1HD       ARG  40   6.294   1.578  -7.447
  292    HE   ARG  40           HE       ARG  40   5.635  -0.887  -6.602
  293   1HH1  ARG  40          1HH1      ARG  40   8.554   0.463  -8.062
  294   2HH1  ARG  40          2HH1      ARG  40   9.612  -0.655  -7.337
  295   1HH2  ARG  40          1HH2      ARG  40   7.043  -2.381  -5.571
  296   2HH2  ARG  40          2HH2      ARG  40   8.732  -2.307  -5.857
  297    H    CYS  41           H        CYS  41   1.514  -0.882  -5.711
  298    HA   CYS  41           HA       CYS  41  -0.288   0.742  -4.189
  299   1HB   CYS  41          2HB       CYS  41  -0.840  -1.508  -4.674
  300   2HB   CYS  41          1HB       CYS  41   0.669  -2.115  -4.008
  301    H    TRP  42           H        TRP  42   0.285   1.847  -2.484
  302    HA   TRP  42           HA       TRP  42   2.820   1.280  -1.116
  303   1HB   TRP  42          2HB       TRP  42   1.218   3.800  -1.518
  304   2HB   TRP  42          1HB       TRP  42   2.436   3.661  -0.272
  305    HD1  TRP  42           HD       TRP  42   2.107   3.724  -4.132
  306    HE1  TRP  42           1HE      TRP  42   4.370   4.596  -5.079
  307    HE3  TRP  42           3HE      TRP  42   4.891   3.873   0.213
  308    HZ2  TRP  42           2HZ      TRP  42   6.896   5.168  -4.158
  309    HZ3  TRP  42           3HZ      TRP  42   7.171   4.590   0.080
  310    HH2  TRP  42           HH       TRP  42   8.201   5.225  -2.018
  311    H    CYS  43           H        CYS  43   2.484   0.459   0.866
  312    HA   CYS  43           HA       CYS  43  -0.153   0.688   2.098
  313   1HB   CYS  43          2HB       CYS  43   2.235  -0.979   2.906
  314   2HB   CYS  43          1HB       CYS  43   0.643  -1.025   3.640
  315    H    THR  44           H        THR  44  -0.434   1.972   3.863
  316    HA   THR  44           HA       THR  44   1.930   3.357   4.774
  317    HB   THR  44           HB       THR  44   0.314   4.895   3.881
  318    HG1  THR  44           1HG      THR  44   0.705   6.142   5.457
  319   1HG2  THR  44          1HG2      THR  44  -1.697   3.530   3.936
  320   2HG2  THR  44          2HG2      THR  44  -1.997   5.086   4.703
  321   3HG2  THR  44          3HG2      THR  44  -1.753   3.648   5.694
  322    H    ARG  45           H        ARG  45   2.100   3.610   7.044
  323    HA   ARG  45           HA       ARG  45   0.578   1.693   8.661
  324   1HB   ARG  45          2HB       ARG  45   2.661   0.907   9.699
  325   2HB   ARG  45          1HB       ARG  45   2.668   0.591   7.971
  326   1HG   ARG  45          2HG       ARG  45   4.067   2.604   7.636
  327   2HG   ARG  45          1HG       ARG  45   4.105   2.830   9.382
  328   1HD   ARG  45          2HD       ARG  45   6.125   1.757   8.594
  329   2HD   ARG  45          1HD       ARG  45   5.219   0.669   9.631
  330    HE   ARG  45           HE       ARG  45   5.072   0.499   6.691
  331   1HH1  ARG  45          1HH1      ARG  45   5.464  -1.094   9.830
  332   2HH1  ARG  45          2HH1      ARG  45   5.772  -2.619   9.169
  333   1HH2  ARG  45          1HH2      ARG  45   5.522  -1.560   5.791
  334   2HH2  ARG  45          2HH2      ARG  45   5.846  -2.895   6.793
  335    H    ASN  46           H        ASN  46   0.442   2.357  10.957
  336    HA   ASN  46           HA       ASN  46   0.911   5.096  11.317
  337   1HB   ASN  46          2HB       ASN  46  -0.065   2.884  13.107
  338   2HB   ASN  46          1HB       ASN  46   0.164   4.559  13.566
  339   1HD2  ASN  46          1HD2      ASN  46  -1.840   2.296  11.933
  340   2HD2  ASN  46          2HD2      ASN  46  -3.163   3.339  11.601
  341    H    CYS  47           H        CYS  47   2.721   5.814  12.008
  342    HA   CYS  47           HA       CYS  47   4.457   4.026  13.486
  343   1HB   CYS  47          2HB       CYS  47   6.396   5.369  12.522
  344   2HB   CYS  47          1HB       CYS  47   5.566   4.303  11.396
  Start of MODEL    3
    1   1H    LYS   1          1HT       LYS   1   3.019   6.978  14.513
    2   2H    LYS   1          2HT       LYS   1   1.462   7.599  14.474
    3   3H    LYS   1          3HT       LYS   1   2.696   8.511  15.170
    4    HA   LYS   1           HA       LYS   1   2.175   9.347  12.944
    5   1HB   LYS   1          2HB       LYS   1   4.639   7.627  12.678
    6   2HB   LYS   1          1HB       LYS   1   4.325   9.168  11.912
    7   1HG   LYS   1          2HG       LYS   1   4.576  10.328  14.011
    8   2HG   LYS   1          1HG       LYS   1   4.750   8.793  14.862
    9   1HD   LYS   1          2HD       LYS   1   6.647   9.913  12.795
   10   2HD   LYS   1          1HD       LYS   1   6.929   9.838  14.530
   11   1HE   LYS   1          2HE       LYS   1   6.701   7.504  12.609
   12   2HE   LYS   1          1HE       LYS   1   8.135   8.047  13.465
   13   1HZ   LYS   1          1HZ       LYS   1   5.728   6.732  14.653
   14   2HZ   LYS   1          2HZ       LYS   1   6.916   7.440  15.587
   15   3HZ   LYS   1          3HZ       LYS   1   7.297   6.144  14.598
   16    H    THR   2           H        THR   2   2.696   8.512  10.533
   17    HA   THR   2           HA       THR   2   1.849   5.759  10.380
   18    HB   THR   2           HB       THR   2   0.852   6.380   8.150
   19    HG1  THR   2           1HG      THR   2   0.629   8.959   9.323
   20   1HG2  THR   2          1HG2      THR   2  -1.319   7.085   9.154
   21   2HG2  THR   2          2HG2      THR   2  -0.478   7.406  10.670
   22   3HG2  THR   2          3HG2      THR   2  -0.555   5.765  10.039
   23    H    CYS   3           H        CYS   3   3.032   4.543   9.267
   24    HA   CYS   3           HA       CYS   3   5.263   5.704   7.760
   25   1HB   CYS   3          2HB       CYS   3   5.119   3.119   9.340
   26   2HB   CYS   3          1HB       CYS   3   6.463   3.566   8.294
   27    H    GLU   4           H        GLU   4   5.416   5.115   5.687
   28    HA   GLU   4           HA       GLU   4   3.453   3.154   4.738
   29   1HB   GLU   4          2HB       GLU   4   2.997   5.613   4.357
   30   2HB   GLU   4          1HB       GLU   4   4.428   5.617   3.369
   31   1HG   GLU   4          2HG       GLU   4   3.429   4.006   1.886
   32   2HG   GLU   4          1HG       GLU   4   1.959   4.011   2.853
   33    H    ASN   5           H        ASN   5   4.212   1.668   3.409
   34    HA   ASN   5           HA       ASN   5   6.755   1.977   2.039
   35   1HB   ASN   5          2HB       ASN   5   6.156  -0.258   4.011
   36   2HB   ASN   5          1HB       ASN   5   7.392  -0.370   2.767
   37   1HD2  ASN   5          1HD2      ASN   5   9.227   0.892   2.958
   38   2HD2  ASN   5          2HD2      ASN   5   9.717   1.577   4.473
   39    H    LEU   6           H        LEU   6   7.029   0.348   0.435
   40    HA   LEU   6           HA       LEU   6   4.821   0.124  -1.186
   41   1HB   LEU   6          2HB       LEU   6   7.476  -1.133  -0.988
   42   2HB   LEU   6          1HB       LEU   6   6.397  -1.434  -2.330
   43    HG   LEU   6           HG       LEU   6   7.357   1.333  -1.585
   44   1HD1  LEU   6          1HD1      LEU   6   8.979   1.128  -3.362
   45   2HD1  LEU   6          2HD1      LEU   6   8.466  -0.527  -3.671
   46   3HD1  LEU   6          3HD1      LEU   6   9.270  -0.123  -2.151
   47   1HD2  LEU   6          1HD2      LEU   6   6.681   1.850  -3.861
   48   2HD2  LEU   6          2HD2      LEU   6   5.327   1.215  -2.931
   49   3HD2  LEU   6          3HD2      LEU   6   6.162   0.183  -4.094
   50    H    ALA   7           H        ALA   7   3.418  -1.525  -1.544
   51    HA   ALA   7           HA       ALA   7   2.918  -3.434   0.431
   52   1HB   ALA   7          1HB       ALA   7   1.326  -4.363  -1.176
   53   2HB   ALA   7          2HB       ALA   7   2.027  -3.335  -2.434
   54   3HB   ALA   7          3HB       ALA   7   1.200  -2.610  -1.058
   55    H    ASN   8           H        ASN   8   3.741  -5.290   0.791
   56    HA   ASN   8           HA       ASN   8   6.106  -6.174  -0.465
   57   1HB   ASN   8          2HB       ASN   8   4.316  -7.617   1.495
   58   2HB   ASN   8          1HB       ASN   8   5.942  -8.116   1.050
   59   1HD2  ASN   8          1HD2      ASN   8   4.007  -5.831   2.831
   60   2HD2  ASN   8          2HD2      ASN   8   5.320  -5.140   3.708
   61    H    THR   9           H        THR   9   2.784  -7.246  -0.614
   62    HA   THR   9           HA       THR   9   3.657  -9.336  -2.478
   63    HB   THR   9           HB       THR   9   1.329 -10.344  -1.894
   64    HG1  THR   9           1HG      THR   9   1.810  -8.497   0.223
   65   1HG2  THR   9          1HG2      THR   9   3.613 -10.277   0.080
   66   2HG2  THR   9          2HG2      THR   9   3.463 -11.380  -1.289
   67   3HG2  THR   9          3HG2      THR   9   2.332 -11.488   0.061
   68    H    TYR  10           H        TYR  10   2.738  -6.459  -2.929
   69    HA   TYR  10           HA       TYR  10   0.666  -7.104  -4.909
   70   1HB   TYR  10          2HB       TYR  10   0.297  -5.151  -3.324
   71   2HB   TYR  10          1HB       TYR  10   1.627  -4.342  -4.147
   72    HD1  TYR  10           1HD      TYR  10   1.340  -3.759  -6.618
   73    HD2  TYR  10           2HD      TYR  10  -1.883  -5.110  -4.191
   74    HE1  TYR  10           1HE      TYR  10  -0.266  -2.841  -8.242
   75    HE2  TYR  10           2HE      TYR  10  -3.493  -4.202  -5.810
   76    HH   TYR  10           HH       TYR  10  -2.627  -3.279  -8.894
   77    H    ARG  11           H        ARG  11   1.723  -7.859  -6.537
   78    HA   ARG  11           HA       ARG  11   4.192  -6.529  -7.373
   79   1HB   ARG  11          2HB       ARG  11   4.300  -8.941  -6.752
   80   2HB   ARG  11          1HB       ARG  11   3.191  -9.285  -8.065
   81   1HG   ARG  11          2HG       ARG  11   4.812  -8.622  -9.694
   82   2HG   ARG  11          1HG       ARG  11   5.896  -8.030  -8.432
   83   1HD   ARG  11          2HD       ARG  11   6.060 -10.293  -7.520
   84   2HD   ARG  11          1HD       ARG  11   5.008 -10.883  -8.802
   85    HE   ARG  11           HE       ARG  11   6.917  -9.788 -10.228
   86   1HH1  ARG  11          1HH1      ARG  11   7.268 -11.784  -7.305
   87   2HH1  ARG  11          2HH1      ARG  11   8.699 -12.529  -7.826
   88   1HH2  ARG  11          1HH2      ARG  11   8.913 -10.813 -10.917
   89   2HH2  ARG  11          2HH2      ARG  11   9.667 -11.944  -9.893
   90    H    GLY  12           H        GLY  12   4.145  -5.377  -9.158
   91   1HA   GLY  12          2HA       GLY  12   3.445  -5.293 -11.509
   92   2HA   GLY  12          1HA       GLY  12   1.831  -5.704 -10.937
   93    HA   PRO  13           HA       PRO  13   2.291  -1.069 -10.906
   94   1HB   PRO  13          2HB       PRO  13   0.536  -0.827 -13.166
   95   2HB   PRO  13          1HB       PRO  13   2.239  -0.376 -13.060
   96   1HG   PRO  13          2HG       PRO  13   1.287  -2.425 -14.621
   97   2HG   PRO  13          1HG       PRO  13   2.943  -2.320 -13.995
   98   1HD   PRO  13          2HD       PRO  13   0.622  -3.900 -12.947
   99   2HD   PRO  13          1HD       PRO  13   2.329  -4.376 -13.099
  100    H    CYS  14           H        CYS  14   0.826   0.234 -10.029
  101    HA   CYS  14           HA       CYS  14  -1.832  -0.846  -9.475
  102   1HB   CYS  14          2HB       CYS  14  -0.478  -0.534  -7.497
  103   2HB   CYS  14          1HB       CYS  14  -0.078   1.108  -7.983
  104    H    PHE  15           H        PHE  15  -3.573   0.380 -10.001
  105    HA   PHE  15           HA       PHE  15  -3.055   3.012 -11.183
  106   1HB   PHE  15          2HB       PHE  15  -4.989   0.918 -12.196
  107   2HB   PHE  15          1HB       PHE  15  -4.851   2.553 -12.825
  108    HD1  PHE  15           1HD      PHE  15  -2.774   3.235 -14.018
  109    HD2  PHE  15           2HD      PHE  15  -3.493  -0.796 -12.864
  110    HE1  PHE  15           1HE      PHE  15  -1.054   2.474 -15.606
  111    HE2  PHE  15           2HE      PHE  15  -1.773  -1.564 -14.444
  112    HZ   PHE  15           HZ       PHE  15  -0.551   0.072 -15.819
  113    H    THR  16           H        THR  16  -4.620   1.403  -8.685
  114    HA   THR  16           HA       THR  16  -6.461   3.620  -8.359
  115    HB   THR  16           HB       THR  16  -7.431   0.745  -8.477
  116    HG1  THR  16           1HG      THR  16  -7.129   2.675 -10.279
  117   1HG2  THR  16          1HG2      THR  16  -8.659   2.060  -6.783
  118   2HG2  THR  16          2HG2      THR  16  -9.686   1.701  -8.171
  119   3HG2  THR  16          3HG2      THR  16  -8.982   3.307  -7.989
  120    H    THR  17           H        THR  17  -6.338   4.324  -6.291
  121    HA   THR  17           HA       THR  17  -4.986   3.043  -4.230
  122    HB   THR  17           HB       THR  17  -6.965   5.323  -4.225
  123    HG1  THR  17           1HG      THR  17  -5.252   6.523  -4.496
  124   1HG2  THR  17          1HG2      THR  17  -6.091   5.880  -1.943
  125   2HG2  THR  17          2HG2      THR  17  -5.310   4.287  -1.898
  126   3HG2  THR  17          3HG2      THR  17  -7.055   4.412  -1.990
  127    H    GLY  18           H        GLY  18  -8.407   2.998  -5.032
  128   1HA   GLY  18          2HA       GLY  18  -9.373   1.701  -2.732
  129   2HA   GLY  18          1HA       GLY  18 -10.110   1.614  -4.326
  130    H    SER  19           H        SER  19  -7.527   0.429  -5.393
  131    HA   SER  19           HA       SER  19  -8.191  -2.319  -4.807
  132   1HB   SER  19          2HB       SER  19  -6.081  -1.198  -6.654
  133   2HB   SER  19          1HB       SER  19  -6.786  -2.815  -6.702
  134    HG   SER  19           HG       SER  19  -8.770  -1.882  -7.279
  135    H    CYS  20           H        CYS  20  -5.602   0.019  -4.350
  136    HA   CYS  20           HA       CYS  20  -3.687  -1.806  -3.320
  137   1HB   CYS  20          2HB       CYS  20  -3.001   0.430  -4.272
  138   2HB   CYS  20          1HB       CYS  20  -3.860   1.202  -3.006
  139    H    ASP  21           H        ASP  21  -6.004   0.439  -1.795
  140    HA   ASP  21           HA       ASP  21  -5.296  -0.019   0.878
  141   1HB   ASP  21          2HB       ASP  21  -6.791   1.817   0.103
  142   2HB   ASP  21          1HB       ASP  21  -8.062   0.631  -0.190
  143    H    ASP  22           H        ASP  22  -7.582  -1.646  -1.210
  144    HA   ASP  22           HA       ASP  22  -8.668  -3.543   0.525
  145   1HB   ASP  22          2HB       ASP  22  -9.568  -3.369  -1.692
  146   2HB   ASP  22          1HB       ASP  22  -8.002  -3.710  -2.415
  147    H    HIS  23           H        HIS  23  -5.786  -3.756  -1.449
  148    HA   HIS  23           HA       HIS  23  -4.995  -6.333  -0.686
  149   1HB   HIS  23          2HB       HIS  23  -4.059  -5.350  -2.674
  150   2HB   HIS  23          1HB       HIS  23  -3.417  -3.991  -1.762
  151    HD1  HIS  23           1HD      HIS  23  -2.789  -7.657  -2.415
  152    HD2  HIS  23           2HD      HIS  23  -0.954  -4.402  -0.607
  153    HE1  HIS  23           1HE      HIS  23  -0.531  -8.431  -1.800
  154    HE2  HIS  23           2HE      HIS  23   0.442  -6.527  -0.447
  155    H    CYS  24           H        CYS  24  -3.967  -3.177   0.523
  156    HA   CYS  24           HA       CYS  24  -2.132  -4.218   2.366
  157   1HB   CYS  24          2HB       CYS  24  -3.497  -1.531   2.280
  158   2HB   CYS  24          1HB       CYS  24  -2.101  -1.911   3.281
  159    H    LYS  25           H        LYS  25  -5.621  -3.373   2.727
  160    HA   LYS  25           HA       LYS  25  -5.577  -3.770   5.505
  161   1HB   LYS  25          2HB       LYS  25  -7.570  -3.349   3.384
  162   2HB   LYS  25          1HB       LYS  25  -8.105  -4.017   4.898
  163   1HG   LYS  25          2HG       LYS  25  -7.081  -1.994   6.011
  164   2HG   LYS  25          1HG       LYS  25  -6.804  -1.352   4.386
  165   1HD   LYS  25          2HD       LYS  25  -9.147  -1.413   3.888
  166   2HD   LYS  25          1HD       LYS  25  -9.501  -2.234   5.403
  167   1HE   LYS  25          2HE       LYS  25 -10.078   0.114   5.519
  168   2HE   LYS  25          1HE       LYS  25  -8.768  -0.264   6.634
  169   1HZ   LYS  25          1HZ       LYS  25  -8.301   0.837   3.935
  170   2HZ   LYS  25          2HZ       LYS  25  -7.218   0.767   5.245
  171   3HZ   LYS  25          3HZ       LYS  25  -8.534   1.812   5.280
  172    H    ASN  26           H        ASN  26  -6.898  -5.659   2.758
  173    HA   ASN  26           HA       ASN  26  -7.807  -7.654   4.532
  174   1HB   ASN  26          2HB       ASN  26  -9.145  -7.189   2.647
  175   2HB   ASN  26          1HB       ASN  26  -7.804  -7.421   1.539
  176   1HD2  ASN  26          1HD2      ASN  26  -7.370  -9.429   0.803
  177   2HD2  ASN  26          2HD2      ASN  26  -8.289 -10.824   1.243
  178    H    LYS  27           H        LYS  27  -5.035  -7.467   2.335
  179    HA   LYS  27           HA       LYS  27  -4.478 -10.243   3.074
  180   1HB   LYS  27          2HB       LYS  27  -4.361  -9.313   0.627
  181   2HB   LYS  27          1HB       LYS  27  -2.815  -8.671   1.132
  182   1HG   LYS  27          2HG       LYS  27  -2.997 -11.468   1.822
  183   2HG   LYS  27          1HG       LYS  27  -3.360 -11.229   0.119
  184   1HD   LYS  27          2HD       LYS  27  -1.044 -11.589   0.175
  185   2HD   LYS  27          1HD       LYS  27  -1.202  -9.843   0.047
  186   1HE   LYS  27          2HE       LYS  27   0.507 -10.304   1.668
  187   2HE   LYS  27          1HE       LYS  27  -0.922  -9.723   2.527
  188   1HZ   LYS  27          1HZ       LYS  27  -1.462 -12.014   3.098
  189   2HZ   LYS  27          2HZ       LYS  27   0.074 -11.617   3.639
  190   3HZ   LYS  27          3HZ       LYS  27  -0.096 -12.557   2.269
  191    H    GLU  28           H        GLU  28  -2.944  -7.029   3.223
  192    HA   GLU  28           HA       GLU  28  -0.766  -8.297   4.645
  193   1HB   GLU  28          2HB       GLU  28  -0.923  -5.485   3.583
  194   2HB   GLU  28          1HB       GLU  28   0.482  -6.157   4.403
  195   1HG   GLU  28          2HG       GLU  28   0.199  -8.057   2.617
  196   2HG   GLU  28          1HG       GLU  28  -0.680  -6.836   1.749
  197    H    HIS  29           H        HIS  29  -3.559  -6.874   5.439
  198    HA   HIS  29           HA       HIS  29  -4.521  -5.982   7.216
  199   1HB   HIS  29          2HB       HIS  29  -4.018  -8.281   8.040
  200   2HB   HIS  29          1HB       HIS  29  -2.541  -7.674   8.772
  201    HD1  HIS  29           1HD      HIS  29  -2.747  -6.935  11.148
  202    HD2  HIS  29           2HD      HIS  29  -6.429  -7.014   9.240
  203    HE1  HIS  29           1HE      HIS  29  -4.450  -6.477  12.936
  204    HE2  HIS  29           2HE      HIS  29  -6.548  -6.125  11.665
  205    H    LEU  30           H        LEU  30  -3.000  -4.131   6.247
  206    HA   LEU  30           HA       LEU  30  -1.892  -2.846   8.625
  207   1HB   LEU  30          2HB       LEU  30  -1.324  -2.218   5.728
  208   2HB   LEU  30          1HB       LEU  30  -0.714  -1.290   7.075
  209    HG   LEU  30           HG       LEU  30   0.003  -4.142   6.395
  210   1HD1  LEU  30          1HD1      LEU  30   2.274  -3.200   6.164
  211   2HD1  LEU  30          2HD1      LEU  30   1.584  -1.584   6.352
  212   3HD1  LEU  30          3HD1      LEU  30   1.123  -2.595   4.983
  213   1HD2  LEU  30          1HD2      LEU  30  -0.101  -3.927   8.812
  214   2HD2  LEU  30          2HD2      LEU  30   0.882  -2.468   8.752
  215   3HD2  LEU  30          3HD2      LEU  30   1.578  -4.020   8.289
  216    H    ARG  31           H        ARG  31  -2.024  -0.224   7.881
  217    HA   ARG  31           HA       ARG  31  -4.647   0.359   8.790
  218   1HB   ARG  31          2HB       ARG  31  -2.470   1.743   9.085
  219   2HB   ARG  31          1HB       ARG  31  -2.759   2.276   7.494
  220   1HG   ARG  31          2HG       ARG  31  -5.021   3.102   8.113
  221   2HG   ARG  31          1HG       ARG  31  -4.609   2.777   9.798
  222   1HD   ARG  31          2HD       ARG  31  -2.688   4.280   9.611
  223   2HD   ARG  31          1HD       ARG  31  -3.103   4.607   7.931
  224    HE   ARG  31           HE       ARG  31  -4.460   5.544  10.316
  225   1HH1  ARG  31          1HH1      ARG  31  -4.767   5.219   6.785
  226   2HH1  ARG  31          2HH1      ARG  31  -5.565   6.699   6.583
  227   1HH2  ARG  31          1HH2      ARG  31  -5.601   7.570  10.011
  228   2HH2  ARG  31          2HH2      ARG  31  -6.084   8.044   8.445
  229    H    SER  32           H        SER  32  -3.017   1.353   5.795
  230    HA   SER  32           HA       SER  32  -5.487   1.178   4.275
  231   1HB   SER  32          2HB       SER  32  -3.898   3.747   4.316
  232   2HB   SER  32          1HB       SER  32  -5.482   3.458   3.634
  233    HG   SER  32           HG       SER  32  -6.395   3.760   5.481
  234    H    GLY  33           H        GLY  33  -4.813   1.998   1.995
  235   1HA   GLY  33          2HA       GLY  33  -2.010   1.580   1.435
  236   2HA   GLY  33          1HA       GLY  33  -3.154   0.493   0.650
  237    H    ARG  34           H        ARG  34  -1.369   2.746  -0.238
  238    HA   ARG  34           HA       ARG  34  -3.429   4.164  -1.778
  239   1HB   ARG  34          2HB       ARG  34  -1.037   5.359  -0.445
  240   2HB   ARG  34          1HB       ARG  34  -1.811   6.120  -1.819
  241   1HG   ARG  34          2HG       ARG  34  -3.864   6.106  -0.634
  242   2HG   ARG  34          1HG       ARG  34  -3.070   5.515   0.848
  243   1HD   ARG  34          2HD       ARG  34  -2.661   8.154  -0.601
  244   2HD   ARG  34          1HD       ARG  34  -3.204   7.917   1.058
  245    HE   ARG  34           HE       ARG  34  -0.706   6.809   1.020
  246   1HH1  ARG  34          1HH1      ARG  34  -1.993  10.029   0.328
  247   2HH1  ARG  34          2HH1      ARG  34  -0.515  10.833   0.571
  248   1HH2  ARG  34          1HH2      ARG  34   1.245   7.828   1.326
  249   2HH2  ARG  34          2HH2      ARG  34   1.455   9.524   1.167
  250    H    CYS  35           H        CYS  35  -3.112   4.775  -3.602
  251    HA   CYS  35           HA       CYS  35  -1.010   3.296  -5.002
  252   1HB   CYS  35          2HB       CYS  35  -3.465   2.918  -5.481
  253   2HB   CYS  35          1HB       CYS  35  -3.473   4.529  -6.198
  254    H    ARG  36           H        ARG  36   0.621   4.572  -5.305
  255    HA   ARG  36           HA       ARG  36   0.114   7.419  -5.397
  256   1HB   ARG  36          2HB       ARG  36   2.568   5.856  -4.682
  257   2HB   ARG  36          1HB       ARG  36   2.534   7.610  -4.833
  258   1HG   ARG  36          2HG       ARG  36   0.837   7.751  -3.089
  259   2HG   ARG  36          1HG       ARG  36   0.817   6.004  -2.959
  260   1HD   ARG  36          2HD       ARG  36   2.150   7.180  -1.204
  261   2HD   ARG  36          1HD       ARG  36   3.021   5.948  -2.109
  262    HE   ARG  36           HE       ARG  36   3.404   8.419  -3.340
  263   1HH1  ARG  36          1HH1      ARG  36   4.176   6.925  -0.214
  264   2HH1  ARG  36          2HH1      ARG  36   5.773   7.517  -0.173
  265   1HH2  ARG  36          1HH2      ARG  36   5.592   9.276  -3.267
  266   2HH2  ARG  36          2HH2      ARG  36   6.596   8.918  -1.959
  267    H    ASP  37           H        ASP  37   2.071   8.591  -6.545
  268    HA   ASP  37           HA       ASP  37   1.416   8.368  -9.293
  269   1HB   ASP  37          2HB       ASP  37   3.575  10.010  -7.983
  270   2HB   ASP  37          1HB       ASP  37   3.062  10.166  -9.656
  271    H    ASP  38           H        ASP  38   3.724   6.791  -7.505
  272    HA   ASP  38           HA       ASP  38   5.495   6.331  -9.726
  273   1HB   ASP  38          2HB       ASP  38   6.693   4.855  -8.057
  274   2HB   ASP  38          1HB       ASP  38   6.622   6.568  -7.656
  275    H    PHE  39           H        PHE  39   2.574   5.271  -9.033
  276    HA   PHE  39           HA       PHE  39   1.235   3.634  -9.757
  277   1HB   PHE  39          2HB       PHE  39   3.581   2.882 -11.535
  278   2HB   PHE  39          1HB       PHE  39   1.989   2.155 -11.629
  279    HD1  PHE  39           1HD      PHE  39   3.965   5.118 -12.372
  280    HD2  PHE  39           2HD      PHE  39   0.065   3.420 -12.395
  281    HE1  PHE  39           1HE      PHE  39   3.192   6.913 -13.867
  282    HE2  PHE  39           2HE      PHE  39  -0.713   5.211 -13.889
  283    HZ   PHE  39           HZ       PHE  39   0.852   6.959 -14.624
  284    H    ARG  40           H        ARG  40   2.968   3.242  -7.489
  285    HA   ARG  40           HA       ARG  40   2.778   0.339  -7.404
  286   1HB   ARG  40          2HB       ARG  40   4.760   2.168  -6.063
  287   2HB   ARG  40          1HB       ARG  40   4.546   0.479  -5.622
  288   1HG   ARG  40          2HG       ARG  40   5.202   1.351  -8.415
  289   2HG   ARG  40          1HG       ARG  40   6.446   1.000  -7.207
  290   1HD   ARG  40          2HD       ARG  40   4.290  -0.930  -8.073
  291   2HD   ARG  40          1HD       ARG  40   5.941  -0.925  -8.698
  292    HE   ARG  40           HE       ARG  40   6.495  -1.094  -6.194
  293   1HH1  ARG  40          1HH1      ARG  40   3.897  -2.896  -7.889
  294   2HH1  ARG  40          2HH1      ARG  40   3.940  -4.173  -6.754
  295   1HH2  ARG  40          1HH2      ARG  40   6.525  -2.939  -4.732
  296   2HH2  ARG  40          2HH2      ARG  40   5.457  -4.229  -4.982
  297    H    CYS  41           H        CYS  41   2.175  -0.546  -5.416
  298    HA   CYS  41           HA       CYS  41   0.192   1.030  -4.043
  299   1HB   CYS  41          2HB       CYS  41  -0.411  -1.081  -4.858
  300   2HB   CYS  41          1HB       CYS  41   0.922  -1.907  -4.055
  301    H    TRP  42           H        TRP  42   0.572   1.884  -2.182
  302    HA   TRP  42           HA       TRP  42   2.938   1.116  -0.625
  303   1HB   TRP  42          2HB       TRP  42   1.514   3.725  -1.060
  304   2HB   TRP  42          1HB       TRP  42   2.608   3.473   0.285
  305    HD1  TRP  42           HD       TRP  42   2.609   3.665  -3.572
  306    HE1  TRP  42           1HE      TRP  42   4.967   4.353  -4.338
  307    HE3  TRP  42           3HE      TRP  42   4.971   3.568   0.971
  308    HZ2  TRP  42           2HZ      TRP  42   7.500   4.832  -3.118
  309    HZ3  TRP  42           3HZ      TRP  42   7.278   4.170   1.108
  310    HH2  TRP  42           HH       TRP  42   8.563   4.784  -0.878
  311    H    CYS  43           H        CYS  43   2.363   0.204   1.273
  312    HA   CYS  43           HA       CYS  43  -0.361   0.554   2.260
  313   1HB   CYS  43          2HB       CYS  43   1.819  -1.353   3.147
  314   2HB   CYS  43          1HB       CYS  43   0.158  -1.320   3.735
  315    H    THR  44           H        THR  44  -0.717   1.630   4.239
  316    HA   THR  44           HA       THR  44   1.682   2.775   5.400
  317    HB   THR  44           HB       THR  44   0.330   4.455   4.183
  318    HG1  THR  44           1HG      THR  44   1.031   5.666   5.701
  319   1HG2  THR  44          1HG2      THR  44  -1.843   3.380   4.338
  320   2HG2  THR  44          2HG2      THR  44  -1.927   5.049   4.893
  321   3HG2  THR  44          3HG2      THR  44  -1.908   3.729   6.067
  322    H    ARG  45           H        ARG  45   1.659   2.843   7.662
  323    HA   ARG  45           HA       ARG  45  -0.490   1.411   9.031
  324   1HB   ARG  45          2HB       ARG  45   1.117  -0.111  10.107
  325   2HB   ARG  45          1HB       ARG  45   1.096  -0.323   8.362
  326   1HG   ARG  45          2HG       ARG  45   3.121   1.109   8.223
  327   2HG   ARG  45          1HG       ARG  45   3.170   1.129   9.983
  328   1HD   ARG  45          2HD       ARG  45   3.381  -1.337   9.969
  329   2HD   ARG  45          1HD       ARG  45   3.391  -1.298   8.203
  330    HE   ARG  45           HE       ARG  45   5.350   0.243   9.697
  331   1HH1  ARG  45          1HH1      ARG  45   4.756  -2.640   7.682
  332   2HH1  ARG  45          2HH1      ARG  45   6.332  -2.715   7.102
  333   1HH2  ARG  45          1HH2      ARG  45   7.553   0.085   8.901
  334   2HH2  ARG  45          2HH2      ARG  45   7.958  -1.150   7.805
  335    H    ASN  46           H        ASN  46  -0.556   1.854  11.323
  336    HA   ASN  46           HA       ASN  46   0.435   4.329  12.091
  337   1HB   ASN  46          2HB       ASN  46  -0.894   2.030  13.489
  338   2HB   ASN  46          1HB       ASN  46  -0.359   3.475  14.315
  339   1HD2  ASN  46          1HD2      ASN  46  -2.729   2.092  12.181
  340   2HD2  ASN  46          2HD2      ASN  46  -3.770   3.474  12.152
  341    H    CYS  47           H        CYS  47   2.290   4.785  13.039
  342    HA   CYS  47           HA       CYS  47   3.839   2.666  14.276
  343   1HB   CYS  47          2HB       CYS  47   5.912   3.524  13.158
  344   2HB   CYS  47          1HB       CYS  47   4.753   2.812  12.044
  Start of MODEL    4
    1   1H    LYS   1          1HT       LYS   1   4.912  11.034  12.404
    2   2H    LYS   1          2HT       LYS   1   6.260  10.225  11.825
    3   3H    LYS   1          3HT       LYS   1   6.169  10.579  13.464
    4    HA   LYS   1           HA       LYS   1   5.807   8.305  12.971
    5   1HB   LYS   1          2HB       LYS   1   3.519   7.997  13.989
    6   2HB   LYS   1          1HB       LYS   1   4.660   8.894  14.940
    7   1HG   LYS   1          2HG       LYS   1   2.492   9.911  15.169
    8   2HG   LYS   1          1HG       LYS   1   3.457  10.998  14.179
    9   1HD   LYS   1          2HD       LYS   1   2.345  10.181  12.169
   10   2HD   LYS   1          1HD       LYS   1   1.463   8.990  13.121
   11   1HE   LYS   1          2HE       LYS   1   1.236  11.974  13.481
   12   2HE   LYS   1          1HE       LYS   1   0.111  10.997  12.540
   13   1HZ   LYS   1          1HZ       LYS   1   0.636  10.685  15.453
   14   2HZ   LYS   1          2HZ       LYS   1  -0.452   9.777  14.547
   15   3HZ   LYS   1          3HZ       LYS   1  -0.715  11.411  14.776
   16    H    THR   2           H        THR   2   3.898   6.852  12.471
   17    HA   THR   2           HA       THR   2   3.019   5.620  10.870
   18    HB   THR   2           HB       THR   2   1.597   6.611   9.086
   19    HG1  THR   2           1HG      THR   2   2.786   8.839   9.712
   20   1HG2  THR   2          1HG2      THR   2   0.610   5.796  11.120
   21   2HG2  THR   2          2HG2      THR   2  -0.227   7.277  10.653
   22   3HG2  THR   2          3HG2      THR   2   0.964   7.308  11.952
   23    H    CYS   3           H        CYS   3   3.801   4.482   9.465
   24    HA   CYS   3           HA       CYS   3   5.926   5.590   7.772
   25   1HB   CYS   3          2HB       CYS   3   5.595   2.861   9.057
   26   2HB   CYS   3          1HB       CYS   3   6.878   3.255   7.918
   27    H    GLU   4           H        GLU   4   6.113   4.538   5.605
   28    HA   GLU   4           HA       GLU   4   3.798   2.999   4.805
   29   1HB   GLU   4          2HB       GLU   4   3.360   5.498   4.529
   30   2HB   GLU   4          1HB       GLU   4   4.637   5.477   3.339
   31   1HG   GLU   4          2HG       GLU   4   3.454   4.027   1.939
   32   2HG   GLU   4          1HG       GLU   4   2.235   3.730   3.181
   33    H    ASN   5           H        ASN   5   4.355   1.523   3.314
   34    HA   ASN   5           HA       ASN   5   6.755   1.821   1.697
   35   1HB   ASN   5          2HB       ASN   5   6.445  -0.370   3.764
   36   2HB   ASN   5          1HB       ASN   5   7.490  -0.532   2.360
   37   1HD2  ASN   5          1HD2      ASN   5   9.357   0.690   2.259
   38   2HD2  ASN   5          2HD2      ASN   5  10.041   1.485   3.620
   39    H    LEU   6           H        LEU   6   6.920   0.259   0.048
   40    HA   LEU   6           HA       LEU   6   4.676  -0.032  -1.424
   41   1HB   LEU   6          2HB       LEU   6   7.294  -1.422  -1.310
   42   2HB   LEU   6          1HB       LEU   6   6.114  -1.687  -2.566
   43    HG   LEU   6           HG       LEU   6   7.296   1.026  -1.991
   44   1HD1  LEU   6          1HD1      LEU   6   8.180  -1.047  -4.000
   45   2HD1  LEU   6          2HD1      LEU   6   9.088  -0.542  -2.576
   46   3HD1  LEU   6          3HD1      LEU   6   8.786   0.604  -3.885
   47   1HD2  LEU   6          1HD2      LEU   6   6.537   1.487  -4.257
   48   2HD2  LEU   6          2HD2      LEU   6   5.195   0.993  -3.230
   49   3HD2  LEU   6          3HD2      LEU   6   5.893  -0.147  -4.383
   50    H    ALA   7           H        ALA   7   3.204  -1.620  -1.668
   51    HA   ALA   7           HA       ALA   7   2.701  -3.558   0.284
   52   1HB   ALA   7          1HB       ALA   7   1.826  -3.404  -2.590
   53   2HB   ALA   7          2HB       ALA   7   0.979  -2.723  -1.197
   54   3HB   ALA   7          3HB       ALA   7   1.129  -4.473  -1.378
   55    H    ASN   8           H        ASN   8   3.395  -5.581   0.522
   56    HA   ASN   8           HA       ASN   8   5.837  -6.365  -0.667
   57   1HB   ASN   8          2HB       ASN   8   3.892  -7.891   1.063
   58   2HB   ASN   8          1HB       ASN   8   5.433  -8.547   0.540
   59   1HD2  ASN   8          1HD2      ASN   8   3.832  -6.279   2.609
   60   2HD2  ASN   8          2HD2      ASN   8   5.205  -5.897   3.590
   61    H    THR   9           H        THR   9   2.523  -7.447  -1.102
   62    HA   THR   9           HA       THR   9   3.503  -9.275  -3.175
   63    HB   THR   9           HB       THR   9   1.109 -10.265  -2.845
   64    HG1  THR   9           1HG      THR   9   1.566  -9.229  -0.249
   65   1HG2  THR   9          1HG2      THR   9   3.371 -10.594  -0.877
   66   2HG2  THR   9          2HG2      THR   9   3.136 -11.499  -2.375
   67   3HG2  THR   9          3HG2      THR   9   2.013 -11.699  -1.034
   68    H    TYR  10           H        TYR  10   2.713  -6.363  -3.471
   69    HA   TYR  10           HA       TYR  10   0.603  -6.784  -5.477
   70   1HB   TYR  10          2HB       TYR  10   0.283  -4.988  -3.773
   71   2HB   TYR  10          1HB       TYR  10   1.656  -4.135  -4.478
   72    HD1  TYR  10           1HD      TYR  10   1.428  -3.105  -6.728
   73    HD2  TYR  10           2HD      TYR  10  -1.875  -4.969  -4.807
   74    HE1  TYR  10           1HE      TYR  10  -0.103  -1.961  -8.262
   75    HE2  TYR  10           2HE      TYR  10  -3.419  -3.828  -6.346
   76    HH   TYR  10           HH       TYR  10  -2.322  -2.239  -9.151
   77    H    ARG  11           H        ARG  11   1.739  -7.663  -7.019
   78    HA   ARG  11           HA       ARG  11   4.133  -6.325  -8.030
   79   1HB   ARG  11          2HB       ARG  11   4.142  -8.791  -7.550
   80   2HB   ARG  11          1HB       ARG  11   2.941  -8.987  -8.808
   81   1HG   ARG  11          2HG       ARG  11   5.058  -9.628  -9.691
   82   2HG   ARG  11          1HG       ARG  11   4.596  -8.105 -10.444
   83   1HD   ARG  11          2HD       ARG  11   6.422  -8.269  -8.051
   84   2HD   ARG  11          1HD       ARG  11   7.020  -8.331  -9.703
   85    HE   ARG  11           HE       ARG  11   5.692  -6.104  -9.824
   86   1HH1  ARG  11          1HH1      ARG  11   7.661  -7.207  -7.102
   87   2HH1  ARG  11          2HH1      ARG  11   8.302  -5.675  -6.740
   88   1HH2  ARG  11          1HH2      ARG  11   6.563  -3.951  -9.289
   89   2HH2  ARG  11          2HH2      ARG  11   7.665  -3.795  -8.010
   90    H    GLY  12           H        GLY  12   3.265  -4.605  -9.142
   91   1HA   GLY  12          2HA       GLY  12   2.794  -4.646 -11.717
   92   2HA   GLY  12          1HA       GLY  12   1.201  -5.089 -11.109
   93    HA   PRO  13           HA       PRO  13   1.725  -0.398 -11.080
   94   1HB   PRO  13          2HB       PRO  13  -0.422  -0.474 -13.102
   95   2HB   PRO  13          1HB       PRO  13   1.087   0.440 -13.116
   96   1HG   PRO  13          2HG       PRO  13   0.761  -1.626 -14.748
   97   2HG   PRO  13          1HG       PRO  13   2.316  -1.324 -13.936
   98   1HD   PRO  13          2HD       PRO  13   0.149  -3.274 -13.168
   99   2HD   PRO  13          1HD       PRO  13   1.901  -3.552 -13.306
  100    H    CYS  14           H        CYS  14   0.371   0.879 -10.014
  101    HA   CYS  14           HA       CYS  14  -1.860  -0.369  -8.703
  102   1HB   CYS  14          2HB       CYS  14  -0.210   0.801  -7.365
  103   2HB   CYS  14          1HB       CYS  14  -0.476   2.274  -8.286
  104    H    PHE  15           H        PHE  15  -3.888   0.317  -8.835
  105    HA   PHE  15           HA       PHE  15  -4.554   1.930 -11.160
  106   1HB   PHE  15          2HB       PHE  15  -6.405   0.375  -9.336
  107   2HB   PHE  15          1HB       PHE  15  -6.812   1.069 -10.900
  108    HD1  PHE  15           1HD      PHE  15  -5.538   0.170 -12.948
  109    HD2  PHE  15           2HD      PHE  15  -5.649  -1.805  -9.182
  110    HE1  PHE  15           1HE      PHE  15  -4.885  -1.939 -14.032
  111    HE2  PHE  15           2HE      PHE  15  -4.994  -3.909 -10.256
  112    HZ   PHE  15           HZ       PHE  15  -4.614  -3.983 -12.682
  113    H    THR  16           H        THR  16  -5.970   1.636  -7.897
  114    HA   THR  16           HA       THR  16  -5.771   4.507  -7.555
  115    HB   THR  16           HB       THR  16  -8.168   4.463  -6.663
  116    HG1  THR  16           1HG      THR  16  -8.714   2.386  -8.436
  117   1HG2  THR  16          1HG2      THR  16  -9.180   4.824  -8.890
  118   2HG2  THR  16          2HG2      THR  16  -7.760   4.090  -9.638
  119   3HG2  THR  16          3HG2      THR  16  -7.604   5.605  -8.755
  120    H    THR  17           H        THR  17  -6.473   5.060  -5.255
  121    HA   THR  17           HA       THR  17  -5.068   3.479  -3.453
  122    HB   THR  17           HB       THR  17  -6.993   5.762  -3.124
  123    HG1  THR  17           1HG      THR  17  -5.191   6.928  -2.999
  124   1HG2  THR  17          1HG2      THR  17  -6.251   5.960  -0.766
  125   2HG2  THR  17          2HG2      THR  17  -5.384   4.428  -0.916
  126   3HG2  THR  17          3HG2      THR  17  -7.136   4.463  -1.044
  127    H    GLY  18           H        GLY  18  -8.453   3.459  -4.352
  128   1HA   GLY  18          2HA       GLY  18  -9.442   1.895  -2.258
  129   2HA   GLY  18          1HA       GLY  18 -10.122   1.957  -3.874
  130    H    SER  19           H        SER  19  -7.693   0.903  -5.211
  131    HA   SER  19           HA       SER  19  -8.248  -1.868  -4.656
  132   1HB   SER  19          2HB       SER  19  -6.835  -2.287  -6.687
  133   2HB   SER  19          1HB       SER  19  -8.186  -1.200  -6.994
  134    HG   SER  19           HG       SER  19  -5.476  -0.756  -7.049
  135    H    CYS  20           H        CYS  20  -5.674   0.417  -4.253
  136    HA   CYS  20           HA       CYS  20  -3.654  -1.431  -3.519
  137   1HB   CYS  20          2HB       CYS  20  -3.119   0.919  -4.244
  138   2HB   CYS  20          1HB       CYS  20  -3.963   1.501  -2.866
  139    H    ASP  21           H        ASP  21  -5.929   0.575  -1.624
  140    HA   ASP  21           HA       ASP  21  -5.053  -0.190   0.928
  141   1HB   ASP  21          2HB       ASP  21  -6.493   1.779   0.385
  142   2HB   ASP  21          1HB       ASP  21  -7.844   0.675   0.131
  143    H    ASP  22           H        ASP  22  -7.515  -1.462  -1.208
  144    HA   ASP  22           HA       ASP  22  -8.694  -3.478   0.282
  145   1HB   ASP  22          2HB       ASP  22  -9.460  -3.022  -1.961
  146   2HB   ASP  22          1HB       ASP  22  -7.889  -3.430  -2.630
  147    H    HIS  23           H        HIS  23  -5.740  -3.560  -1.564
  148    HA   HIS  23           HA       HIS  23  -5.100  -6.268  -1.028
  149   1HB   HIS  23          2HB       HIS  23  -4.235  -5.194  -3.020
  150   2HB   HIS  23          1HB       HIS  23  -3.430  -3.969  -2.056
  151    HD1  HIS  23           1HD      HIS  23  -3.095  -7.572  -3.118
  152    HD2  HIS  23           2HD      HIS  23  -0.989  -4.688  -1.005
  153    HE1  HIS  23           1HE      HIS  23  -0.841  -8.547  -2.705
  154    HE2  HIS  23           2HE      HIS  23   0.255  -6.885  -1.129
  155    H    CYS  24           H        CYS  24  -3.895  -3.205   0.318
  156    HA   CYS  24           HA       CYS  24  -2.020  -4.444   2.013
  157   1HB   CYS  24          2HB       CYS  24  -3.246  -1.689   2.180
  158   2HB   CYS  24          1HB       CYS  24  -1.852  -2.215   3.114
  159    H    LYS  25           H        LYS  25  -5.472  -3.658   2.537
  160    HA   LYS  25           HA       LYS  25  -5.288  -4.195   5.296
  161   1HB   LYS  25          2HB       LYS  25  -7.370  -3.534   3.332
  162   2HB   LYS  25          1HB       LYS  25  -7.855  -4.312   4.813
  163   1HG   LYS  25          2HG       LYS  25  -6.745  -2.455   6.063
  164   2HG   LYS  25          1HG       LYS  25  -6.401  -1.687   4.507
  165   1HD   LYS  25          2HD       LYS  25  -8.747  -1.533   4.006
  166   2HD   LYS  25          1HD       LYS  25  -9.157  -2.445   5.455
  167   1HE   LYS  25          2HE       LYS  25  -9.552  -0.064   5.749
  168   2HE   LYS  25          1HE       LYS  25  -8.293  -0.638   6.839
  169   1HZ   LYS  25          1HZ       LYS  25  -6.640   0.382   5.539
  170   2HZ   LYS  25          2HZ       LYS  25  -7.870   1.540   5.648
  171   3HZ   LYS  25          3HZ       LYS  25  -7.686   0.638   4.240
  172    H    ASN  26           H        ASN  26  -6.987  -5.897   2.567
  173    HA   ASN  26           HA       ASN  26  -7.785  -7.976   4.256
  174   1HB   ASN  26          2HB       ASN  26  -9.054  -7.313   2.341
  175   2HB   ASN  26          1HB       ASN  26  -7.708  -7.662   1.270
  176   1HD2  ASN  26          1HD2      ASN  26  -8.850  -9.041   0.084
  177   2HD2  ASN  26          2HD2      ASN  26  -9.350 -10.597   0.616
  178    H    LYS  27           H        LYS  27  -5.159  -7.676   1.895
  179    HA   LYS  27           HA       LYS  27  -4.496 -10.465   2.316
  180   1HB   LYS  27          2HB       LYS  27  -4.483  -9.210   0.038
  181   2HB   LYS  27          1HB       LYS  27  -2.968  -8.528   0.578
  182   1HG   LYS  27          2HG       LYS  27  -3.489 -11.491   0.238
  183   2HG   LYS  27          1HG       LYS  27  -2.712 -10.463  -0.957
  184   1HD   LYS  27          2HD       LYS  27  -0.875 -10.037   0.581
  185   2HD   LYS  27          1HD       LYS  27  -1.687 -10.971   1.838
  186   1HE   LYS  27          2HE       LYS  27  -1.555 -12.966   0.370
  187   2HE   LYS  27          1HE       LYS  27  -0.664 -11.996  -0.802
  188   1HZ   LYS  27          1HZ       LYS  27   1.070 -11.662   0.855
  189   2HZ   LYS  27          2HZ       LYS  27   0.804 -13.317   0.603
  190   3HZ   LYS  27          3HZ       LYS  27   0.201 -12.569   1.971
  191    H    GLU  28           H        GLU  28  -3.022  -7.251   2.875
  192    HA   GLU  28           HA       GLU  28  -0.805  -8.682   4.083
  193   1HB   GLU  28          2HB       GLU  28  -0.885  -5.803   3.203
  194   2HB   GLU  28          1HB       GLU  28   0.515  -6.609   3.911
  195   1HG   GLU  28          2HG       GLU  28   0.197  -8.333   2.027
  196   2HG   GLU  28          1HG       GLU  28  -0.805  -7.116   1.283
  197    H    HIS  29           H        HIS  29  -3.522  -7.122   5.096
  198    HA   HIS  29           HA       HIS  29  -4.348  -6.581   7.071
  199   1HB   HIS  29          2HB       HIS  29  -2.123  -8.373   8.041
  200   2HB   HIS  29          1HB       HIS  29  -3.371  -7.738   9.104
  201    HD1  HIS  29           1HD      HIS  29  -2.613 -10.503   6.881
  202    HD2  HIS  29           2HD      HIS  29  -6.050  -8.665   8.305
  203    HE1  HIS  29           1HE      HIS  29  -4.457 -12.144   6.505
  204    HE2  HIS  29           2HE      HIS  29  -6.425 -11.120   7.685
  205    H    LEU  30           H        LEU  30  -2.650  -4.687   6.024
  206    HA   LEU  30           HA       LEU  30  -1.254  -3.605   8.352
  207   1HB   LEU  30          2HB       LEU  30  -1.031  -2.922   5.425
  208   2HB   LEU  30          1HB       LEU  30  -0.180  -2.060   6.692
  209    HG   LEU  30           HG       LEU  30   0.192  -4.981   6.004
  210   1HD1  LEU  30          1HD1      LEU  30   1.983  -2.605   5.555
  211   2HD1  LEU  30          2HD1      LEU  30   1.124  -3.517   4.312
  212   3HD1  LEU  30          3HD1      LEU  30   2.405  -4.287   5.245
  213   1HD2  LEU  30          1HD2      LEU  30   1.611  -3.234   8.016
  214   2HD2  LEU  30          2HD2      LEU  30   2.074  -4.875   7.568
  215   3HD2  LEU  30          3HD2      LEU  30   0.539  -4.591   8.378
  216    H    ARG  31           H        ARG  31  -1.295  -0.895   7.554
  217    HA   ARG  31           HA       ARG  31  -3.742  -0.146   8.795
  218   1HB   ARG  31          2HB       ARG  31  -1.535   1.093   9.001
  219   2HB   ARG  31          1HB       ARG  31  -1.712   1.551   7.373
  220   1HG   ARG  31          2HG       ARG  31  -2.345   3.406   8.772
  221   2HG   ARG  31          1HG       ARG  31  -3.729   2.837   7.843
  222   1HD   ARG  31          2HD       ARG  31  -3.152   1.970  10.627
  223   2HD   ARG  31          1HD       ARG  31  -4.121   3.409  10.294
  224    HE   ARG  31           HE       ARG  31  -5.476   1.646   8.895
  225   1HH1  ARG  31          1HH1      ARG  31  -4.103   1.170  12.137
  226   2HH1  ARG  31          2HH1      ARG  31  -5.341   0.128  12.657
  227   1HH2  ARG  31          1HH2      ARG  31  -7.150   0.210   9.603
  228   2HH2  ARG  31          2HH2      ARG  31  -7.101  -0.461  11.173
  229    H    SER  32           H        SER  32  -2.413   0.886   5.699
  230    HA   SER  32           HA       SER  32  -5.010   0.801   4.434
  231   1HB   SER  32          2HB       SER  32  -3.417   3.361   4.614
  232   2HB   SER  32          1HB       SER  32  -5.004   3.126   3.917
  233    HG   SER  32           HG       SER  32  -5.844   3.483   5.781
  234    H    GLY  33           H        GLY  33  -4.539   1.841   2.214
  235   1HA   GLY  33          2HA       GLY  33  -1.801   1.463   1.357
  236   2HA   GLY  33          1HA       GLY  33  -3.025   0.477   0.565
  237    H    ARG  34           H        ARG  34  -1.282   2.921   0.004
  238    HA   ARG  34           HA       ARG  34  -3.417   4.376  -1.378
  239   1HB   ARG  34          2HB       ARG  34  -1.139   5.577   0.144
  240   2HB   ARG  34          1HB       ARG  34  -1.932   6.436  -1.169
  241   1HG   ARG  34          2HG       ARG  34  -4.012   6.240  -0.082
  242   2HG   ARG  34          1HG       ARG  34  -3.292   5.385   1.298
  243   1HD   ARG  34          2HD       ARG  34  -2.644   8.198   0.387
  244   2HD   ARG  34          1HD       ARG  34  -3.604   7.783   1.806
  245    HE   ARG  34           HE       ARG  34  -1.143   6.518   2.096
  246   1HH1  ARG  34          1HH1      ARG  34  -2.202   9.886   1.769
  247   2HH1  ARG  34          2HH1      ARG  34  -1.020  10.503   2.811
  248   1HH2  ARG  34          1HH2      ARG  34   0.476   7.322   3.399
  249   2HH2  ARG  34          2HH2      ARG  34   0.595   8.984   3.817
  250    H    CYS  35           H        CYS  35  -3.173   5.239  -3.117
  251    HA   CYS  35           HA       CYS  35  -1.170   3.871  -4.727
  252   1HB   CYS  35          2HB       CYS  35  -3.685   3.778  -5.123
  253   2HB   CYS  35          1HB       CYS  35  -3.519   5.423  -5.716
  254    H    ARG  36           H        ARG  36   0.537   5.025  -5.018
  255    HA   ARG  36           HA       ARG  36   0.338   7.922  -4.906
  256   1HB   ARG  36          2HB       ARG  36   2.777   6.136  -4.842
  257   2HB   ARG  36          1HB       ARG  36   2.770   7.876  -4.572
  258   1HG   ARG  36          2HG       ARG  36   1.257   7.494  -2.614
  259   2HG   ARG  36          1HG       ARG  36   1.423   5.784  -2.899
  260   1HD   ARG  36          2HD       ARG  36   2.880   6.491  -1.114
  261   2HD   ARG  36          1HD       ARG  36   3.794   5.892  -2.483
  262    HE   ARG  36           HE       ARG  36   3.909   8.463  -2.973
  263   1HH1  ARG  36          1HH1      ARG  36   4.034   6.935   0.234
  264   2HH1  ARG  36          2HH1      ARG  36   5.276   7.924   0.823
  265   1HH2  ARG  36          1HH2      ARG  36   5.581   9.859  -2.166
  266   2HH2  ARG  36          2HH2      ARG  36   6.146   9.692  -0.554
  267    H    ASP  37           H        ASP  37   1.905   9.083  -6.449
  268    HA   ASP  37           HA       ASP  37   1.165   8.308  -9.136
  269   1HB   ASP  37          2HB       ASP  37   2.945  10.616  -8.289
  270   2HB   ASP  37          1HB       ASP  37   2.187  10.409  -9.864
  271    H    ASP  38           H        ASP  38   3.276   7.237  -7.245
  272    HA   ASP  38           HA       ASP  38   5.623   6.740  -8.815
  273   1HB   ASP  38          2HB       ASP  38   5.704   6.753  -6.383
  274   2HB   ASP  38          1HB       ASP  38   4.418   5.566  -6.298
  275    H    PHE  39           H        PHE  39   2.426   5.592  -8.562
  276    HA   PHE  39           HA       PHE  39   1.158   4.105  -9.537
  277   1HB   PHE  39          2HB       PHE  39   3.460   3.696 -11.461
  278   2HB   PHE  39          1HB       PHE  39   1.930   2.869 -11.587
  279    HD1  PHE  39           1HD      PHE  39  -0.140   4.050 -12.048
  280    HD2  PHE  39           2HD      PHE  39   3.609   6.060 -12.047
  281    HE1  PHE  39           1HE      PHE  39  -1.158   5.932 -13.254
  282    HE2  PHE  39           2HE      PHE  39   2.591   7.946 -13.262
  283    HZ   PHE  39           HZ       PHE  39   0.212   7.884 -13.862
  284    H    ARG  40           H        ARG  40   3.122   3.322  -7.429
  285    HA   ARG  40           HA       ARG  40   2.440   0.503  -7.674
  286   1HB   ARG  40          2HB       ARG  40   4.828   1.698  -6.232
  287   2HB   ARG  40          1HB       ARG  40   4.365   0.004  -6.176
  288   1HG   ARG  40          2HG       ARG  40   4.717  -0.167  -8.600
  289   2HG   ARG  40          1HG       ARG  40   5.217   1.523  -8.632
  290   1HD   ARG  40          2HD       ARG  40   7.180   0.139  -8.611
  291   2HD   ARG  40          1HD       ARG  40   7.036   0.959  -7.058
  292    HE   ARG  40           HE       ARG  40   5.800  -1.540  -6.882
  293   1HH1  ARG  40          1HH1      ARG  40   9.054  -0.190  -7.226
  294   2HH1  ARG  40          2HH1      ARG  40   9.861  -1.460  -6.455
  295   1HH2  ARG  40          1HH2      ARG  40   6.894  -3.301  -5.734
  296   2HH2  ARG  40          2HH2      ARG  40   8.593  -3.285  -5.565
  297    H    CYS  41           H        CYS  41   1.922  -0.505  -5.600
  298    HA   CYS  41           HA       CYS  41   0.187   1.233  -4.121
  299   1HB   CYS  41          2HB       CYS  41  -0.640  -0.824  -4.868
  300   2HB   CYS  41          1HB       CYS  41   0.678  -1.752  -4.148
  301    H    TRP  42           H        TRP  42   0.608   2.027  -2.207
  302    HA   TRP  42           HA       TRP  42   2.965   1.100  -0.744
  303   1HB   TRP  42          2HB       TRP  42   1.785   3.841  -1.131
  304   2HB   TRP  42          1HB       TRP  42   2.869   3.481   0.199
  305    HD1  TRP  42           HD       TRP  42   2.893   3.431  -3.681
  306    HE1  TRP  42           1HE      TRP  42   5.336   3.913  -4.454
  307    HE3  TRP  42           3HE      TRP  42   5.130   3.688   0.894
  308    HZ2  TRP  42           2HZ      TRP  42   7.827   4.391  -3.235
  309    HZ3  TRP  42           3HZ      TRP  42   7.484   4.184   1.041
  310    HH2  TRP  42           HH       TRP  42   8.849   4.533  -0.989
  311    H    CYS  43           H        CYS  43   2.391   0.104   1.062
  312    HA   CYS  43           HA       CYS  43  -0.262   0.435   2.179
  313   1HB   CYS  43          2HB       CYS  43   2.026  -1.350   3.006
  314   2HB   CYS  43          1HB       CYS  43   0.387  -1.409   3.632
  315    H    THR  44           H        THR  44  -0.640   1.598   3.981
  316    HA   THR  44           HA       THR  44   1.520   3.106   5.130
  317    HB   THR  44           HB       THR  44  -1.446   3.050   5.790
  318    HG1  THR  44           1HG      THR  44  -0.053   4.602   3.804
  319   1HG2  THR  44          1HG2      THR  44  -1.045   5.347   6.630
  320   2HG2  THR  44          2HG2      THR  44   0.675   5.167   6.275
  321   3HG2  THR  44          3HG2      THR  44  -0.091   4.148   7.496
  322    H    ARG  45           H        ARG  45   2.132   2.759   7.307
  323    HA   ARG  45           HA       ARG  45   0.728   0.756   8.804
  324   1HB   ARG  45          2HB       ARG  45   2.895  -0.422   9.398
  325   2HB   ARG  45          1HB       ARG  45   2.317  -0.688   7.767
  326   1HG   ARG  45          2HG       ARG  45   3.987   0.990   6.967
  327   2HG   ARG  45          1HG       ARG  45   4.588   1.099   8.627
  328   1HD   ARG  45          2HD       ARG  45   5.132  -1.274   8.616
  329   2HD   ARG  45          1HD       ARG  45   4.460  -1.437   7.000
  330    HE   ARG  45           HE       ARG  45   6.412   0.415   6.672
  331   1HH1  ARG  45          1HH1      ARG  45   6.429  -2.836   8.097
  332   2HH1  ARG  45          2HH1      ARG  45   8.038  -3.168   7.668
  333   1HH2  ARG  45          1HH2      ARG  45   8.624  -0.086   6.052
  334   2HH2  ARG  45          2HH2      ARG  45   9.303  -1.591   6.478
  335    H    ASN  46           H        ASN  46   0.844   0.956  10.951
  336    HA   ASN  46           HA       ASN  46   1.313   3.557  11.910
  337   1HB   ASN  46          2HB       ASN  46   0.217   1.000  12.883
  338   2HB   ASN  46          1HB       ASN  46   0.864   2.090  14.086
  339   1HD2  ASN  46          1HD2      ASN  46  -0.624   3.379  11.174
  340   2HD2  ASN  46          2HD2      ASN  46  -2.069   3.922  11.968
  341    H    CYS  47           H        CYS  47   2.952   4.333  13.066
  342    HA   CYS  47           HA       CYS  47   4.781   2.755  14.476
  343   1HB   CYS  47          2HB       CYS  47   6.824   3.446  13.262
  344   2HB   CYS  47          1HB       CYS  47   5.773   2.554  12.176
  Start of MODEL    5
    1   1H    LYS   1          1HT       LYS   1   2.143   8.108  15.632
    2   2H    LYS   1          2HT       LYS   1   2.689   6.923  14.539
    3   3H    LYS   1          3HT       LYS   1   1.064   7.065  14.866
    4    HA   LYS   1           HA       LYS   1   0.986   9.233  13.790
    5   1HB   LYS   1          2HB       LYS   1   3.837   8.549  13.031
    6   2HB   LYS   1          1HB       LYS   1   2.927   9.930  12.473
    7   1HG   LYS   1          2HG       LYS   1   2.886  10.766  14.820
    8   2HG   LYS   1          1HG       LYS   1   3.965   9.431  15.248
    9   1HD   LYS   1          2HD       LYS   1   5.547  10.251  13.494
   10   2HD   LYS   1          1HD       LYS   1   4.500  11.640  13.268
   11   1HE   LYS   1          2HE       LYS   1   6.325  12.254  14.722
   12   2HE   LYS   1          1HE       LYS   1   4.816  12.246  15.633
   13   1HZ   LYS   1          1HZ       LYS   1   6.820  10.049  15.651
   14   2HZ   LYS   1          2HZ       LYS   1   5.426  10.109  16.587
   15   3HZ   LYS   1          3HZ       LYS   1   6.656  11.219  16.835
   16    H    THR   2           H        THR   2   1.563   9.285  11.208
   17    HA   THR   2           HA       THR   2   0.986   6.580  10.302
   18    HB   THR   2           HB       THR   2   0.122   7.874   8.251
   19    HG1  THR   2           1HG      THR   2   0.257   9.952   8.515
   20   1HG2  THR   2          1HG2      THR   2  -1.377   7.831  10.866
   21   2HG2  THR   2          2HG2      THR   2  -1.294   6.520   9.687
   22   3HG2  THR   2          3HG2      THR   2  -2.129   8.019   9.284
   23    H    CYS   3           H        CYS   3   2.166   5.708   8.798
   24    HA   CYS   3           HA       CYS   3   4.124   7.316   7.354
   25   1HB   CYS   3          2HB       CYS   3   4.618   4.688   8.783
   26   2HB   CYS   3          1HB       CYS   3   5.702   5.281   7.530
   27    H    GLU   4           H        GLU   4   4.486   6.468   5.231
   28    HA   GLU   4           HA       GLU   4   2.574   4.392   4.478
   29   1HB   GLU   4          2HB       GLU   4   1.868   6.758   3.897
   30   2HB   GLU   4          1HB       GLU   4   3.288   6.850   2.893
   31   1HG   GLU   4          2HG       GLU   4   2.494   5.263   1.404
   32   2HG   GLU   4          1HG       GLU   4   1.190   4.756   2.491
   33    H    ASN   5           H        ASN   5   3.486   2.800   3.367
   34    HA   ASN   5           HA       ASN   5   6.035   3.193   1.997
   35   1HB   ASN   5          2HB       ASN   5   5.656   1.209   4.259
   36   2HB   ASN   5          1HB       ASN   5   6.961   1.124   3.086
   37   1HD2  ASN   5          1HD2      ASN   5   8.539   2.716   3.122
   38   2HD2  ASN   5          2HD2      ASN   5   8.849   3.687   4.512
   39    H    LEU   6           H        LEU   6   6.596   1.444   0.646
   40    HA   LEU   6           HA       LEU   6   4.575   0.676  -1.007
   41   1HB   LEU   6          2HB       LEU   6   7.320  -0.268  -0.468
   42   2HB   LEU   6          1HB       LEU   6   6.357  -0.838  -1.807
   43    HG   LEU   6           HG       LEU   6   7.175   2.047  -1.401
   44   1HD1  LEU   6          1HD1      LEU   6   8.333  -0.056  -3.236
   45   2HD1  LEU   6          2HD1      LEU   6   9.125   0.612  -1.810
   46   3HD1  LEU   6          3HD1      LEU   6   8.788   1.647  -3.196
   47   1HD2  LEU   6          1HD2      LEU   6   6.483   2.283  -3.729
   48   2HD2  LEU   6          2HD2      LEU   6   5.143   1.764  -2.712
   49   3HD2  LEU   6          3HD2      LEU   6   5.967   0.599  -3.752
   50    H    ALA   7           H        ALA   7   3.417  -1.168  -1.238
   51    HA   ALA   7           HA       ALA   7   3.154  -3.049   0.864
   52   1HB   ALA   7          1HB       ALA   7   1.325  -2.564  -0.679
   53   2HB   ALA   7          2HB       ALA   7   1.751  -4.277  -0.742
   54   3HB   ALA   7          3HB       ALA   7   2.283  -3.186  -2.021
   55    H    ASN   8           H        ASN   8   4.090  -5.009   1.084
   56    HA   ASN   8           HA       ASN   8   6.597  -5.281  -0.342
   57   1HB   ASN   8          2HB       ASN   8   5.518  -6.768   2.042
   58   2HB   ASN   8          1HB       ASN   8   7.112  -7.044   1.347
   59   1HD2  ASN   8          1HD2      ASN   8   5.161  -5.006   3.320
   60   2HD2  ASN   8          2HD2      ASN   8   6.415  -3.929   3.809
   61    H    THR   9           H        THR   9   3.584  -7.072  -0.000
   62    HA   THR   9           HA       THR   9   4.740  -9.187  -1.655
   63    HB   THR   9           HB       THR   9   1.986  -9.373  -0.473
   64    HG1  THR   9           1HG      THR   9   2.993  -8.784   1.360
   65   1HG2  THR   9          1HG2      THR   9   2.860 -11.186  -1.863
   66   2HG2  THR   9          2HG2      THR   9   2.708 -11.737  -0.192
   67   3HG2  THR   9          3HG2      THR   9   4.284 -11.296  -0.838
   68    H    TYR  10           H        TYR  10   3.633  -6.447  -2.427
   69    HA   TYR  10           HA       TYR  10   1.503  -7.295  -4.264
   70   1HB   TYR  10          2HB       TYR  10   1.237  -5.150  -2.955
   71   2HB   TYR  10          1HB       TYR  10   2.573  -4.474  -3.864
   72    HD1  TYR  10           1HD      TYR  10  -0.938  -5.024  -3.732
   73    HD2  TYR  10           2HD      TYR  10   2.252  -4.315  -6.443
   74    HE1  TYR  10           1HE      TYR  10  -2.548  -4.273  -5.416
   75    HE2  TYR  10           2HE      TYR  10   0.648  -3.560  -8.143
   76    HH   TYR  10           HH       TYR  10  -1.672  -3.845  -8.678
   77    H    ARG  11           H        ARG  11   2.240  -8.162  -6.034
   78    HA   ARG  11           HA       ARG  11   4.826  -7.305  -7.055
   79   1HB   ARG  11          2HB       ARG  11   4.595  -9.693  -6.665
   80   2HB   ARG  11          1HB       ARG  11   3.145  -9.744  -7.654
   81   1HG   ARG  11          2HG       ARG  11   5.017 -10.648  -8.882
   82   2HG   ARG  11          1HG       ARG  11   4.484  -9.141  -9.622
   83   1HD   ARG  11          2HD       ARG  11   6.309  -7.962  -8.438
   84   2HD   ARG  11          1HD       ARG  11   6.874  -9.512  -7.815
   85    HE   ARG  11           HE       ARG  11   6.574  -9.406 -10.660
   86   1HH1  ARG  11          1HH1      ARG  11   8.833  -8.854  -7.978
   87   2HH1  ARG  11          2HH1      ARG  11  10.219  -8.898  -8.963
   88   1HH2  ARG  11          1HH2      ARG  11   8.509  -9.487 -11.992
   89   2HH2  ARG  11          2HH2      ARG  11  10.039  -9.265 -11.278
   90    H    GLY  12           H        GLY  12   4.868  -5.946  -8.697
   91   1HA   GLY  12          2HA       GLY  12   4.409  -5.586 -11.003
   92   2HA   GLY  12          1HA       GLY  12   2.754  -6.127 -10.722
   93    HA   PRO  13           HA       PRO  13   2.868  -1.494 -10.384
   94   1HB   PRO  13          2HB       PRO  13   1.055  -1.426 -12.647
   95   2HB   PRO  13          1HB       PRO  13   2.640  -0.664 -12.483
   96   1HG   PRO  13          2HG       PRO  13   2.159  -2.725 -14.176
   97   2HG   PRO  13          1HG       PRO  13   3.736  -2.439 -13.414
   98   1HD   PRO  13          2HD       PRO  13   1.584  -4.380 -12.646
   99   2HD   PRO  13          1HD       PRO  13   3.345  -4.618 -12.709
  100    H    CYS  14           H        CYS  14   1.149  -0.246  -9.688
  101    HA   CYS  14           HA       CYS  14  -1.087  -1.740  -8.689
  102   1HB   CYS  14          2HB       CYS  14   0.107  -0.296  -7.162
  103   2HB   CYS  14          1HB       CYS  14  -0.085   1.069  -8.251
  104    H    PHE  15           H        PHE  15  -3.178  -1.031  -9.050
  105    HA   PHE  15           HA       PHE  15  -3.515   0.434 -11.571
  106   1HB   PHE  15          2HB       PHE  15  -5.349  -1.690 -10.436
  107   2HB   PHE  15          1HB       PHE  15  -5.533  -0.872 -11.982
  108    HD1  PHE  15           1HD      PHE  15  -4.146  -3.685 -10.307
  109    HD2  PHE  15           2HD      PHE  15  -3.616  -1.146 -13.682
  110    HE1  PHE  15           1HE      PHE  15  -2.756  -5.403 -11.377
  111    HE2  PHE  15           2HE      PHE  15  -2.227  -2.865 -14.760
  112    HZ   PHE  15           HZ       PHE  15  -1.791  -4.998 -13.605
  113    H    THR  16           H        THR  16  -5.249  -0.273  -8.495
  114    HA   THR  16           HA       THR  16  -6.247   2.468  -8.586
  115    HB   THR  16           HB       THR  16  -8.023   0.077  -8.043
  116    HG1  THR  16           1HG      THR  16  -7.366   1.472 -10.401
  117   1HG2  THR  16          1HG2      THR  16  -9.811   1.737  -8.404
  118   2HG2  THR  16          2HG2      THR  16  -8.582   2.994  -8.571
  119   3HG2  THR  16          3HG2      THR  16  -8.780   2.147  -7.035
  120    H    THR  17           H        THR  17  -6.814   3.333  -6.511
  121    HA   THR  17           HA       THR  17  -5.266   2.611  -4.349
  122    HB   THR  17           HB       THR  17  -7.725   4.319  -4.571
  123    HG1  THR  17           1HG      THR  17  -6.254   5.515  -5.444
  124   1HG2  THR  17          1HG2      THR  17  -5.893   4.059  -2.157
  125   2HG2  THR  17          2HG2      THR  17  -7.590   3.615  -2.234
  126   3HG2  THR  17          3HG2      THR  17  -7.122   5.306  -2.373
  127    H    GLY  18           H        GLY  18  -8.748   1.892  -4.863
  128   1HA   GLY  18          2HA       GLY  18  -9.202   0.704  -2.390
  129   2HA   GLY  18          1HA       GLY  18 -10.113   0.390  -3.854
  130    H    SER  19           H        SER  19  -7.702  -0.625  -5.227
  131    HA   SER  19           HA       SER  19  -7.951  -3.358  -4.378
  132   1HB   SER  19          2HB       SER  19  -7.839  -2.690  -6.796
  133   2HB   SER  19          1HB       SER  19  -6.186  -2.150  -6.538
  134    HG   SER  19           HG       SER  19  -7.210  -4.778  -6.304
  135    H    CYS  20           H        CYS  20  -5.508  -0.827  -4.378
  136    HA   CYS  20           HA       CYS  20  -3.418  -2.343  -3.222
  137   1HB   CYS  20          2HB       CYS  20  -2.992  -0.126  -4.328
  138   2HB   CYS  20          1HB       CYS  20  -3.977   0.628  -3.137
  139    H    ASP  21           H        ASP  21  -5.960  -0.281  -1.904
  140    HA   ASP  21           HA       ASP  21  -5.322  -0.392   0.810
  141   1HB   ASP  21          2HB       ASP  21  -6.901   1.169  -0.202
  142   2HB   ASP  21          1HB       ASP  21  -8.061  -0.141  -0.483
  143    H    ASP  22           H        ASP  22  -7.478  -2.422  -1.114
  144    HA   ASP  22           HA       ASP  22  -8.264  -4.274   0.817
  145   1HB   ASP  22          2HB       ASP  22  -9.309  -4.349  -1.336
  146   2HB   ASP  22          1HB       ASP  22  -7.768  -4.570  -2.149
  147    H    HIS  23           H        HIS  23  -5.526  -4.416  -1.402
  148    HA   HIS  23           HA       HIS  23  -4.382  -6.794  -0.521
  149   1HB   HIS  23          2HB       HIS  23  -3.653  -5.790  -2.606
  150   2HB   HIS  23          1HB       HIS  23  -3.076  -4.361  -1.760
  151    HD1  HIS  23           1HD      HIS  23  -2.199  -7.977  -2.358
  152    HD2  HIS  23           2HD      HIS  23  -0.530  -4.554  -0.709
  153    HE1  HIS  23           1HE      HIS  23   0.179  -8.567  -1.843
  154    HE2  HIS  23           2HE      HIS  23   1.013  -6.584  -0.529
  155    H    CYS  24           H        CYS  24  -3.687  -3.498   0.530
  156    HA   CYS  24           HA       CYS  24  -1.680  -4.245   2.293
  157   1HB   CYS  24          2HB       CYS  24  -3.329  -1.736   2.144
  158   2HB   CYS  24          1HB       CYS  24  -1.960  -1.903   3.229
  159    H    LYS  25           H        LYS  25  -5.210  -3.747   2.882
  160    HA   LYS  25           HA       LYS  25  -4.962  -4.037   5.650
  161   1HB   LYS  25          2HB       LYS  25  -7.221  -4.126   3.700
  162   2HB   LYS  25          1HB       LYS  25  -7.397  -4.212   5.439
  163   1HG   LYS  25          2HG       LYS  25  -6.412  -2.024   5.692
  164   2HG   LYS  25          1HG       LYS  25  -6.079  -1.960   3.965
  165   1HD   LYS  25          2HD       LYS  25  -8.014  -0.633   4.499
  166   2HD   LYS  25          1HD       LYS  25  -8.472  -2.013   3.506
  167   1HE   LYS  25          2HE       LYS  25  -9.307  -3.173   5.483
  168   2HE   LYS  25          1HE       LYS  25  -8.774  -1.843   6.506
  169   1HZ   LYS  25          1HZ       LYS  25 -10.838  -1.653   4.391
  170   2HZ   LYS  25          2HZ       LYS  25 -10.343  -0.391   5.377
  171   3HZ   LYS  25          3HZ       LYS  25 -11.124  -1.730   6.041
  172    H    ASN  26           H        ASN  26  -6.056  -6.199   3.005
  173    HA   ASN  26           HA       ASN  26  -6.775  -8.267   4.803
  174   1HB   ASN  26          2HB       ASN  26  -7.976  -7.997   2.732
  175   2HB   ASN  26          1HB       ASN  26  -6.487  -8.153   1.812
  176   1HD2  ASN  26          1HD2      ASN  26  -5.663 -10.192   1.408
  177   2HD2  ASN  26          2HD2      ASN  26  -6.515 -11.623   1.809
  178    H    LYS  27           H        LYS  27  -4.174  -7.901   2.422
  179    HA   LYS  27           HA       LYS  27  -3.077 -10.417   3.300
  180   1HB   LYS  27          2HB       LYS  27  -3.082 -10.227   0.956
  181   2HB   LYS  27          1HB       LYS  27  -2.449  -8.592   1.000
  182   1HG   LYS  27          2HG       LYS  27  -0.804 -10.203   0.183
  183   2HG   LYS  27          1HG       LYS  27  -0.276  -9.410   1.663
  184   1HD   LYS  27          2HD       LYS  27  -1.100 -11.440   2.912
  185   2HD   LYS  27          1HD       LYS  27  -1.322 -12.218   1.338
  186   1HE   LYS  27          2HE       LYS  27   0.832 -12.825   2.284
  187   2HE   LYS  27          1HE       LYS  27   1.032 -11.843   0.833
  188   1HZ   LYS  27          1HZ       LYS  27   1.347 -10.913   3.656
  189   2HZ   LYS  27          2HZ       LYS  27   1.420  -9.873   2.340
  190   3HZ   LYS  27          3HZ       LYS  27   2.558 -11.079   2.517
  191    H    GLU  28           H        GLU  28  -1.901  -7.030   3.137
  192    HA   GLU  28           HA       GLU  28   0.590  -7.796   4.141
  193   1HB   GLU  28          2HB       GLU  28  -0.593  -5.112   3.846
  194   2HB   GLU  28          1HB       GLU  28   1.119  -5.514   4.025
  195   1HG   GLU  28          2HG       GLU  28  -0.651  -6.485   1.803
  196   2HG   GLU  28          1HG       GLU  28   0.457  -5.133   1.811
  197    H    HIS  29           H        HIS  29  -2.397  -6.869   5.405
  198    HA   HIS  29           HA       HIS  29  -3.326  -6.665   7.361
  199   1HB   HIS  29          2HB       HIS  29  -0.717  -7.783   8.397
  200   2HB   HIS  29          1HB       HIS  29  -2.072  -7.418   9.460
  201    HD1  HIS  29           1HD      HIS  29  -0.651 -10.185   7.798
  202    HD2  HIS  29           2HD      HIS  29  -4.535  -8.827   8.328
  203    HE1  HIS  29           1HE      HIS  29  -2.125 -12.176   7.367
  204    HE2  HIS  29           2HE      HIS  29  -4.478 -11.324   7.683
  205    H    LEU  30           H        LEU  30  -2.063  -4.519   6.162
  206    HA   LEU  30           HA       LEU  30  -1.150  -2.896   8.388
  207   1HB   LEU  30          2HB       LEU  30  -1.004  -2.411   5.413
  208   2HB   LEU  30          1HB       LEU  30  -0.394  -1.306   6.634
  209    HG   LEU  30           HG       LEU  30   0.633  -4.103   6.116
  210   1HD1  LEU  30          1HD1      LEU  30   1.906  -1.432   5.622
  211   2HD1  LEU  30          2HD1      LEU  30   1.327  -2.563   4.398
  212   3HD1  LEU  30          3HD1      LEU  30   2.689  -2.997   5.430
  213   1HD2  LEU  30          1HD2      LEU  30   1.537  -2.039   8.117
  214   2HD2  LEU  30          2HD2      LEU  30   2.399  -3.524   7.722
  215   3HD2  LEU  30          3HD2      LEU  30   0.809  -3.610   8.470
  216    H    ARG  31           H        ARG  31  -1.936  -0.359   7.268
  217    HA   ARG  31           HA       ARG  31  -4.520  -0.362   8.576
  218   1HB   ARG  31          2HB       ARG  31  -2.465   1.304   8.574
  219   2HB   ARG  31          1HB       ARG  31  -3.375   1.998   7.282
  220   1HG   ARG  31          2HG       ARG  31  -5.369   1.968   8.877
  221   2HG   ARG  31          1HG       ARG  31  -4.140   1.822  10.145
  222   1HD   ARG  31          2HD       ARG  31  -4.403   4.136   9.925
  223   2HD   ARG  31          1HD       ARG  31  -2.991   3.759   8.976
  224    HE   ARG  31           HE       ARG  31  -5.047   3.521   7.186
  225   1HH1  ARG  31          1HH1      ARG  31  -3.895   6.222   9.185
  226   2HH1  ARG  31          2HH1      ARG  31  -4.350   7.387   8.032
  227   1HH2  ARG  31          1HH2      ARG  31  -5.676   5.075   5.713
  228   2HH2  ARG  31          2HH2      ARG  31  -5.374   6.734   5.970
  229    H    SER  32           H        SER  32  -3.222   0.955   5.530
  230    HA   SER  32           HA       SER  32  -5.709   0.533   4.055
  231   1HB   SER  32          2HB       SER  32  -4.482   3.291   4.237
  232   2HB   SER  32          1HB       SER  32  -6.059   2.819   3.625
  233    HG   SER  32           HG       SER  32  -6.535   2.171   5.856
  234    H    GLY  33           H        GLY  33  -5.166   1.617   1.806
  235   1HA   GLY  33          2HA       GLY  33  -2.339   1.596   1.221
  236   2HA   GLY  33          1HA       GLY  33  -3.312   0.338   0.449
  237    H    ARG  34           H        ARG  34  -1.839   2.697  -0.589
  238    HA   ARG  34           HA       ARG  34  -4.031   3.715  -2.220
  239   1HB   ARG  34          2HB       ARG  34  -1.917   5.418  -0.941
  240   2HB   ARG  34          1HB       ARG  34  -2.907   5.937  -2.296
  241   1HG   ARG  34          2HG       ARG  34  -4.824   5.549  -1.062
  242   2HG   ARG  34          1HG       ARG  34  -3.918   5.145   0.423
  243   1HD   ARG  34          2HD       ARG  34  -4.126   7.781  -1.059
  244   2HD   ARG  34          1HD       ARG  34  -4.526   7.459   0.624
  245    HE   ARG  34           HE       ARG  34  -1.901   6.969   0.630
  246   1HH1  ARG  34          1HH1      ARG  34  -3.778   9.657  -0.642
  247   2HH1  ARG  34          2HH1      ARG  34  -2.514  10.783  -0.625
  248   1HH2  ARG  34          1HH2      ARG  34  -0.126   8.435   0.621
  249   2HH2  ARG  34          2HH2      ARG  34  -0.344  10.065   0.138
  250    H    CYS  35           H        CYS  35  -3.575   4.571  -4.024
  251    HA   CYS  35           HA       CYS  35  -1.288   3.207  -5.289
  252   1HB   CYS  35          2HB       CYS  35  -3.679   2.545  -5.759
  253   2HB   CYS  35          1HB       CYS  35  -3.826   4.060  -6.641
  254    H    ARG  36           H        ARG  36   0.171   4.755  -5.386
  255    HA   ARG  36           HA       ARG  36  -0.727   7.464  -5.720
  256   1HB   ARG  36          2HB       ARG  36   2.065   6.546  -5.137
  257   2HB   ARG  36          1HB       ARG  36   1.452   8.191  -5.003
  258   1HG   ARG  36          2HG       ARG  36  -0.287   7.173  -3.413
  259   2HG   ARG  36          1HG       ARG  36   0.816   5.811  -3.336
  260   1HD   ARG  36          2HD       ARG  36   1.206   8.647  -2.427
  261   2HD   ARG  36          1HD       ARG  36   1.407   7.159  -1.509
  262    HE   ARG  36           HE       ARG  36   3.227   7.350  -3.657
  263   1HH1  ARG  36          1HH1      ARG  36   2.652   8.081  -0.245
  264   2HH1  ARG  36          2HH1      ARG  36   4.209   8.704   0.057
  265   1HH2  ARG  36          1HH2      ARG  36   5.447   8.168  -3.231
  266   2HH2  ARG  36          2HH2      ARG  36   5.833   8.734  -1.680
  267    H    ASP  37           H        ASP  37   1.154   8.861  -6.949
  268    HA   ASP  37           HA       ASP  37   0.636   8.441  -9.680
  269   1HB   ASP  37          2HB       ASP  37   2.603  10.262  -8.316
  270   2HB   ASP  37          1HB       ASP  37   2.472  10.179 -10.064
  271    H    ASP  38           H        ASP  38   3.172   7.255  -7.740
  272    HA   ASP  38           HA       ASP  38   4.907   6.632  -9.945
  273   1HB   ASP  38          2HB       ASP  38   6.212   5.352  -8.213
  274   2HB   ASP  38          1HB       ASP  38   6.008   7.068  -7.891
  275    H    PHE  39           H        PHE  39   2.083   5.366  -9.040
  276    HA   PHE  39           HA       PHE  39   0.908   3.566  -9.625
  277   1HB   PHE  39          2HB       PHE  39   3.211   3.038 -11.513
  278   2HB   PHE  39          1HB       PHE  39   1.694   2.151 -11.522
  279    HD1  PHE  39           1HD      PHE  39  -0.462   3.578 -11.758
  280    HD2  PHE  39           2HD      PHE  39   3.427   4.923 -12.840
  281    HE1  PHE  39           1HE      PHE  39  -1.464   5.251 -13.252
  282    HE2  PHE  39           2HE      PHE  39   2.434   6.602 -14.335
  283    HZ   PHE  39           HZ       PHE  39  -0.018   6.771 -14.542
  284    H    ARG  40           H        ARG  40   2.885   3.331  -7.406
  285    HA   ARG  40           HA       ARG  40   2.750   0.435  -7.400
  286   1HB   ARG  40          2HB       ARG  40   4.703   2.163  -5.854
  287   2HB   ARG  40          1HB       ARG  40   4.527   0.428  -5.639
  288   1HG   ARG  40          2HG       ARG  40   5.107   0.183  -8.070
  289   2HG   ARG  40          1HG       ARG  40   5.531   1.893  -8.059
  290   1HD   ARG  40          2HD       ARG  40   7.549   0.620  -7.737
  291   2HD   ARG  40          1HD       ARG  40   7.147   1.406  -6.213
  292    HE   ARG  40           HE       ARG  40   6.007  -1.086  -6.062
  293   1HH1  ARG  40          1HH1      ARG  40   9.309   0.067  -6.606
  294   2HH1  ARG  40          2HH1      ARG  40  10.052  -1.260  -5.856
  295   1HH2  ARG  40          1HH2      ARG  40   7.062  -2.944  -5.037
  296   2HH2  ARG  40          2HH2      ARG  40   8.744  -3.010  -4.937
  297    H    CYS  41           H        CYS  41   2.169  -0.542  -5.423
  298    HA   CYS  41           HA       CYS  41   0.056   0.866  -4.116
  299   1HB   CYS  41          2HB       CYS  41  -0.256  -1.385  -4.725
  300   2HB   CYS  41          1HB       CYS  41   1.173  -1.933  -3.839
  301    H    TRP  42           H        TRP  42   0.376   2.107  -2.480
  302    HA   TRP  42           HA       TRP  42   2.653   1.690  -0.686
  303   1HB   TRP  42          2HB       TRP  42   1.058   4.130  -1.454
  304   2HB   TRP  42          1HB       TRP  42   2.074   4.080  -0.025
  305    HD1  TRP  42           HD       TRP  42   2.412   3.720  -3.856
  306    HE1  TRP  42           1HE      TRP  42   4.726   4.540  -4.531
  307    HE3  TRP  42           3HE      TRP  42   4.235   4.656   0.795
  308    HZ2  TRP  42           2HZ      TRP  42   7.092   5.487  -3.200
  309    HZ3  TRP  42           3HZ      TRP  42   6.479   5.516   1.046
  310    HH2  TRP  42           HH       TRP  42   7.917   5.930  -0.915
  311    H    CYS  43           H        CYS  43   2.031   0.802   1.154
  312    HA   CYS  43           HA       CYS  43  -0.733   0.830   1.997
  313   1HB   CYS  43          2HB       CYS  43   1.721  -0.385   3.248
  314   2HB   CYS  43          1HB       CYS  43   0.062  -0.640   3.762
  315    H    THR  44           H        THR  44  -1.475   2.129   3.612
  316    HA   THR  44           HA       THR  44   0.383   4.075   4.699
  317    HB   THR  44           HB       THR  44  -2.631   3.964   5.020
  318    HG1  THR  44           1HG      THR  44  -1.256   5.302   2.849
  319   1HG2  THR  44          1HG2      THR  44  -2.396   6.404   5.271
  320   2HG2  THR  44          2HG2      THR  44  -0.659   6.263   4.995
  321   3HG2  THR  44          3HG2      THR  44  -1.382   5.545   6.432
  322    H    ARG  45           H        ARG  45   0.752   3.917   6.948
  323    HA   ARG  45           HA       ARG  45  -0.809   1.906   8.352
  324   1HB   ARG  45          2HB       ARG  45   1.239   0.814   9.204
  325   2HB   ARG  45          1HB       ARG  45   0.970   0.578   7.483
  326   1HG   ARG  45          2HG       ARG  45   2.704   2.102   6.904
  327   2HG   ARG  45          1HG       ARG  45   2.785   2.717   8.550
  328   1HD   ARG  45          2HD       ARG  45   3.470  -0.107   7.772
  329   2HD   ARG  45          1HD       ARG  45   4.652   1.194   7.938
  330    HE   ARG  45           HE       ARG  45   2.929   0.734  10.223
  331   1HH1  ARG  45          1HH1      ARG  45   6.091   0.012   8.761
  332   2HH1  ARG  45          2HH1      ARG  45   6.811  -0.348  10.263
  333   1HH2  ARG  45          1HH2      ARG  45   3.979   0.304  12.251
  334   2HH2  ARG  45          2HH2      ARG  45   5.613  -0.188  12.231
  335    H    ASN  46           H        ASN  46  -0.552   1.804  10.583
  336    HA   ASN  46           HA       ASN  46  -0.123   4.255  11.819
  337   1HB   ASN  46          2HB       ASN  46  -0.632   1.425  12.727
  338   2HB   ASN  46          1HB       ASN  46  -0.447   2.803  13.805
  339   1HD2  ASN  46          1HD2      ASN  46  -2.762   1.005  13.209
  340   2HD2  ASN  46          2HD2      ASN  46  -4.047   2.081  12.779
  341    H    CYS  47           H        CYS  47   1.681   4.892  12.567
  342    HA   CYS  47           HA       CYS  47   4.003   3.133  12.379
  343   1HB   CYS  47          2HB       CYS  47   3.689   4.681  10.513
  344   2HB   CYS  47          1HB       CYS  47   3.664   6.038  11.592
  Start of MODEL    6
    1   1H    LYS   1          1HT       LYS   1   2.517  12.725  11.293
    2   2H    LYS   1          2HT       LYS   1   4.073  12.096  11.164
    3   3H    LYS   1          3HT       LYS   1   3.528  12.629  12.662
    4    HA   LYS   1           HA       LYS   1   3.570  10.229  12.468
    5   1HB   LYS   1          2HB       LYS   1   0.673  11.120  12.360
    6   2HB   LYS   1          1HB       LYS   1   1.323   9.696  13.106
    7   1HG   LYS   1          2HG       LYS   1   2.529  11.087  14.749
    8   2HG   LYS   1          1HG       LYS   1   1.768  12.515  14.054
    9   1HD   LYS   1          2HD       LYS   1   0.374  12.046  15.858
   10   2HD   LYS   1          1HD       LYS   1  -0.456  11.259  14.527
   11   1HE   LYS   1          2HE       LYS   1   1.362   9.877  16.514
   12   2HE   LYS   1          1HE       LYS   1  -0.389   9.881  16.586
   13   1HZ   LYS   1          1HZ       LYS   1   1.309   8.586  14.488
   14   2HZ   LYS   1          2HZ       LYS   1  -0.369   8.692  14.429
   15   3HZ   LYS   1          3HZ       LYS   1   0.374   7.852  15.673
   16    H    THR   2           H        THR   2   2.044   8.503  11.608
   17    HA   THR   2           HA       THR   2   1.659   7.094   9.981
   18    HB   THR   2           HB       THR   2   0.552   7.763   7.879
   19    HG1  THR   2           1HG      THR   2   1.224  10.237   8.745
   20   1HG2  THR   2          1HG2      THR   2  -0.740   7.028   9.775
   21   2HG2  THR   2          2HG2      THR   2  -1.602   8.331   8.956
   22   3HG2  THR   2          3HG2      THR   2  -0.722   8.659  10.448
   23    H    CYS   3           H        CYS   3   2.820   5.967   8.943
   24    HA   CYS   3           HA       CYS   3   5.016   7.111   7.399
   25   1HB   CYS   3          2HB       CYS   3   4.831   4.588   9.089
   26   2HB   CYS   3          1HB       CYS   3   6.200   4.964   8.035
   27    H    GLU   4           H        GLU   4   5.523   5.827   5.403
   28    HA   GLU   4           HA       GLU   4   3.396   4.004   4.655
   29   1HB   GLU   4          2HB       GLU   4   2.763   6.377   4.047
   30   2HB   GLU   4          1HB       GLU   4   4.142   6.383   2.971
   31   1HG   GLU   4          2HG       GLU   4   3.209   4.824   1.564
   32   2HG   GLU   4          1HG       GLU   4   2.013   4.318   2.764
   33    H    ASN   5           H        ASN   5   4.074   2.426   3.307
   34    HA   ASN   5           HA       ASN   5   6.699   2.609   2.017
   35   1HB   ASN   5          2HB       ASN   5   5.936   0.417   3.967
   36   2HB   ASN   5          1HB       ASN   5   7.315   0.365   2.879
   37   1HD2  ASN   5          1HD2      ASN   5   9.068   1.683   3.298
   38   2HD2  ASN   5          2HD2      ASN   5   9.326   2.428   4.830
   39    H    LEU   6           H        LEU   6   7.072   0.632   0.708
   40    HA   LEU   6           HA       LEU   6   4.984   0.446  -1.143
   41   1HB   LEU   6          2HB       LEU   6   7.538  -0.902  -0.633
   42   2HB   LEU   6          1HB       LEU   6   6.578  -1.199  -2.056
   43    HG   LEU   6           HG       LEU   6   7.761   1.485  -1.317
   44   1HD1  LEU   6          1HD1      LEU   6   8.726  -0.573  -3.305
   45   2HD1  LEU   6          2HD1      LEU   6   9.511  -0.171  -1.776
   46   3HD1  LEU   6          3HD1      LEU   6   9.417   1.030  -3.058
   47   1HD2  LEU   6          1HD2      LEU   6   5.786   1.608  -2.750
   48   2HD2  LEU   6          2HD2      LEU   6   6.521   0.460  -3.869
   49   3HD2  LEU   6          3HD2      LEU   6   7.243   2.052  -3.633
   50    H    ALA   7           H        ALA   7   3.653  -1.312  -1.582
   51    HA   ALA   7           HA       ALA   7   3.193  -3.277   0.427
   52   1HB   ALA   7          1HB       ALA   7   1.619  -4.216  -1.207
   53   2HB   ALA   7          2HB       ALA   7   2.239  -3.098  -2.425
   54   3HB   ALA   7          3HB       ALA   7   1.397  -2.478  -1.004
   55    H    ASN   8           H        ASN   8   3.761  -5.405   0.408
   56    HA   ASN   8           HA       ASN   8   6.170  -5.938  -1.145
   57   1HB   ASN   8          2HB       ASN   8   4.996  -7.416   1.212
   58   2HB   ASN   8          1HB       ASN   8   6.549  -7.760   0.457
   59   1HD2  ASN   8          1HD2      ASN   8   4.753  -5.562   2.451
   60   2HD2  ASN   8          2HD2      ASN   8   6.113  -4.661   3.032
   61    H    THR   9           H        THR   9   2.927  -7.123  -0.735
   62    HA   THR   9           HA       THR   9   3.614  -9.323  -2.529
   63    HB   THR   9           HB       THR   9   1.365 -10.323  -1.827
   64    HG1  THR   9           1HG      THR   9   1.606  -8.189   0.048
   65   1HG2  THR   9          1HG2      THR   9   2.249 -11.175   0.300
   66   2HG2  THR   9          2HG2      THR   9   3.469  -9.899   0.301
   67   3HG2  THR   9          3HG2      THR   9   3.499 -11.150  -0.944
   68    H    TYR  10           H        TYR  10   2.648  -6.429  -2.882
   69    HA   TYR  10           HA       TYR  10   0.630  -6.947  -4.983
   70   1HB   TYR  10          2HB       TYR  10   0.397  -5.075  -3.209
   71   2HB   TYR  10          1HB       TYR  10   1.661  -4.261  -4.094
   72    HD1  TYR  10           1HD      TYR  10   1.154  -3.576  -6.552
   73    HD2  TYR  10           2HD      TYR  10  -1.846  -4.855  -3.813
   74    HE1  TYR  10           1HE      TYR  10  -0.569  -2.399  -7.877
   75    HE2  TYR  10           2HE      TYR  10  -3.561  -3.698  -5.132
   76    HH   TYR  10           HH       TYR  10  -3.716  -1.862  -6.643
   77    H    ARG  11           H        ARG  11   2.075  -7.866  -6.291
   78    HA   ARG  11           HA       ARG  11   4.450  -6.352  -7.076
   79   1HB   ARG  11          2HB       ARG  11   4.659  -8.751  -6.374
   80   2HB   ARG  11          1HB       ARG  11   3.701  -9.196  -7.776
   81   1HG   ARG  11          2HG       ARG  11   5.413  -8.392  -9.258
   82   2HG   ARG  11          1HG       ARG  11   6.351  -7.781  -7.893
   83   1HD   ARG  11          2HD       ARG  11   5.649 -10.684  -8.351
   84   2HD   ARG  11          1HD       ARG  11   7.200  -9.947  -8.740
   85    HE   ARG  11           HE       ARG  11   6.858  -9.374  -6.104
   86   1HH1  ARG  11          1HH1      ARG  11   6.850 -12.442  -7.911
   87   2HH1  ARG  11          2HH1      ARG  11   7.445 -13.342  -6.591
   88   1HH2  ARG  11          1HH2      ARG  11   7.677 -10.656  -4.356
   89   2HH2  ARG  11          2HH2      ARG  11   7.913 -12.340  -4.562
   90    H    GLY  12           H        GLY  12   4.441  -5.198  -8.842
   91   1HA   GLY  12          2HA       GLY  12   3.930  -5.258 -11.281
   92   2HA   GLY  12          1HA       GLY  12   2.281  -5.629 -10.782
   93    HA   PRO  13           HA       PRO  13   2.651  -1.027 -10.756
   94   1HB   PRO  13          2HB       PRO  13   0.795  -0.763 -12.904
   95   2HB   PRO  13          1HB       PRO  13   2.521  -0.420 -12.945
   96   1HG   PRO  13          2HG       PRO  13   1.286  -2.469 -14.351
   97   2HG   PRO  13          1HG       PRO  13   3.009  -2.397 -13.948
   98   1HD   PRO  13          2HD       PRO  13   0.809  -3.902 -12.583
   99   2HD   PRO  13          1HD       PRO  13   2.490  -4.396 -12.901
  100    H    CYS  14           H        CYS  14   0.566   0.511 -10.932
  101    HA   CYS  14           HA       CYS  14  -1.219  -0.330  -8.907
  102   1HB   CYS  14          2HB       CYS  14  -1.418   1.994 -10.809
  103   2HB   CYS  14          1HB       CYS  14  -2.475   1.717  -9.433
  104    H    PHE  15           H        PHE  15  -2.802  -1.752  -9.190
  105    HA   PHE  15           HA       PHE  15  -4.230  -1.878 -11.697
  106   1HB   PHE  15          2HB       PHE  15  -4.742  -3.233  -9.020
  107   2HB   PHE  15          1HB       PHE  15  -5.684  -3.530 -10.477
  108    HD1  PHE  15           1HD      PHE  15  -2.403  -3.977  -8.873
  109    HD2  PHE  15           2HD      PHE  15  -4.851  -4.945 -12.210
  110    HE1  PHE  15           1HE      PHE  15  -0.816  -5.729  -9.518
  111    HE2  PHE  15           2HE      PHE  15  -3.266  -6.706 -12.863
  112    HZ   PHE  15           HZ       PHE  15  -1.241  -7.099 -11.511
  113    H    THR  16           H        THR  16  -4.971  -1.154  -8.326
  114    HA   THR  16           HA       THR  16  -6.459   1.210  -8.992
  115    HB   THR  16           HB       THR  16  -8.375   0.130  -7.428
  116    HG1  THR  16           1HG      THR  16  -8.387  -1.982  -7.461
  117   1HG2  THR  16          1HG2      THR  16  -8.813   1.180  -9.612
  118   2HG2  THR  16          2HG2      THR  16  -9.692  -0.343  -9.469
  119   3HG2  THR  16          3HG2      THR  16  -8.212  -0.262 -10.429
  120    H    THR  17           H        THR  17  -6.484   2.649  -7.249
  121    HA   THR  17           HA       THR  17  -4.785   2.420  -5.088
  122    HB   THR  17           HB       THR  17  -7.277   4.097  -5.340
  123    HG1  THR  17           1HG      THR  17  -5.888   5.618  -6.270
  124   1HG2  THR  17          1HG2      THR  17  -6.220   5.652  -3.827
  125   2HG2  THR  17          2HG2      THR  17  -4.776   4.678  -3.780
  126   3HG2  THR  17          3HG2      THR  17  -6.269   4.064  -3.056
  127    H    GLY  18           H        GLY  18  -8.332   1.942  -5.209
  128   1HA   GLY  18          2HA       GLY  18  -8.727   1.412  -2.489
  129   2HA   GLY  18          1HA       GLY  18  -9.797   0.934  -3.795
  130    H    SER  19           H        SER  19  -7.873  -0.717  -5.141
  131    HA   SER  19           HA       SER  19  -8.236  -3.058  -3.532
  132   1HB   SER  19          2HB       SER  19  -6.853  -2.812  -6.205
  133   2HB   SER  19          1HB       SER  19  -7.454  -4.296  -5.453
  134    HG   SER  19           HG       SER  19  -9.519  -3.027  -5.375
  135    H    CYS  20           H        CYS  20  -5.649  -0.889  -4.293
  136    HA   CYS  20           HA       CYS  20  -3.520  -2.426  -3.226
  137   1HB   CYS  20          2HB       CYS  20  -3.012  -0.399  -4.559
  138   2HB   CYS  20          1HB       CYS  20  -3.958   0.573  -3.498
  139    H    ASP  21           H        ASP  21  -5.808  -0.124  -1.918
  140    HA   ASP  21           HA       ASP  21  -4.988  -0.044   0.765
  141   1HB   ASP  21          2HB       ASP  21  -6.437   1.582  -0.244
  142   2HB   ASP  21          1HB       ASP  21  -7.694   0.374  -0.520
  143    H    ASP  22           H        ASP  22  -7.637  -1.907  -0.685
  144    HA   ASP  22           HA       ASP  22  -8.267  -3.468   1.545
  145   1HB   ASP  22          2HB       ASP  22  -9.759  -3.431  -0.332
  146   2HB   ASP  22          1HB       ASP  22  -8.523  -4.056  -1.409
  147    H    HIS  23           H        HIS  23  -5.918  -4.027  -1.005
  148    HA   HIS  23           HA       HIS  23  -4.993  -6.549  -0.261
  149   1HB   HIS  23          2HB       HIS  23  -4.375  -5.601  -2.379
  150   2HB   HIS  23          1HB       HIS  23  -3.621  -4.218  -1.609
  151    HD1  HIS  23           1HD      HIS  23  -3.024  -7.778  -2.527
  152    HD2  HIS  23           2HD      HIS  23  -1.039  -4.654  -0.645
  153    HE1  HIS  23           1HE      HIS  23  -0.669  -8.523  -2.291
  154    HE2  HIS  23           2HE      HIS  23   0.386  -6.723  -0.832
  155    H    CYS  24           H        CYS  24  -3.713  -3.350   0.623
  156    HA   CYS  24           HA       CYS  24  -1.698  -4.286   2.319
  157   1HB   CYS  24          2HB       CYS  24  -3.129  -1.643   2.167
  158   2HB   CYS  24          1HB       CYS  24  -1.713  -1.879   3.163
  159    H    LYS  25           H        LYS  25  -5.125  -3.458   2.998
  160    HA   LYS  25           HA       LYS  25  -4.886  -3.604   5.752
  161   1HB   LYS  25          2HB       LYS  25  -7.063  -3.685   3.741
  162   2HB   LYS  25          1HB       LYS  25  -7.394  -3.952   5.436
  163   1HG   LYS  25          2HG       LYS  25  -6.594  -1.755   5.989
  164   2HG   LYS  25          1HG       LYS  25  -6.009  -1.520   4.341
  165   1HD   LYS  25          2HD       LYS  25  -8.262  -1.576   3.490
  166   2HD   LYS  25          1HD       LYS  25  -8.894  -1.951   5.092
  167   1HE   LYS  25          2HE       LYS  25  -8.268   0.189   5.918
  168   2HE   LYS  25          1HE       LYS  25  -7.351   0.553   4.453
  169   1HZ   LYS  25          1HZ       LYS  25  -9.556   1.635   4.516
  170   2HZ   LYS  25          2HZ       LYS  25 -10.284   0.095   4.479
  171   3HZ   LYS  25          3HZ       LYS  25  -9.298   0.610   3.208
  172    H    ASN  26           H        ASN  26  -6.213  -5.914   3.337
  173    HA   ASN  26           HA       ASN  26  -6.748  -7.904   5.261
  174   1HB   ASN  26          2HB       ASN  26  -8.095  -7.736   3.304
  175   2HB   ASN  26          1HB       ASN  26  -6.690  -7.846   2.263
  176   1HD2  ASN  26          1HD2      ASN  26  -7.404  -9.561   1.161
  177   2HD2  ASN  26          2HD2      ASN  26  -7.509 -11.143   1.840
  178    H    LYS  27           H        LYS  27  -4.363  -7.737   2.612
  179    HA   LYS  27           HA       LYS  27  -3.355 -10.302   3.432
  180   1HB   LYS  27          2HB       LYS  27  -3.656  -9.669   1.026
  181   2HB   LYS  27          1HB       LYS  27  -2.373  -8.496   1.228
  182   1HG   LYS  27          2HG       LYS  27  -1.546 -10.506   0.136
  183   2HG   LYS  27          1HG       LYS  27  -0.780 -10.278   1.706
  184   1HD   LYS  27          2HD       LYS  27  -1.384 -12.636   1.329
  185   2HD   LYS  27          1HD       LYS  27  -2.273 -11.959   2.688
  186   1HE   LYS  27          2HE       LYS  27  -4.248 -11.688   1.298
  187   2HE   LYS  27          1HE       LYS  27  -3.361 -12.238  -0.120
  188   1HZ   LYS  27          1HZ       LYS  27  -3.963 -13.878   2.294
  189   2HZ   LYS  27          2HZ       LYS  27  -3.109 -14.395   0.953
  190   3HZ   LYS  27          3HZ       LYS  27  -4.737 -13.976   0.800
  191    H    GLU  28           H        GLU  28  -2.279  -6.950   3.546
  192    HA   GLU  28           HA       GLU  28   0.143  -7.993   4.747
  193   1HB   GLU  28          2HB       GLU  28  -0.198  -5.301   3.434
  194   2HB   GLU  28          1HB       GLU  28   1.311  -5.912   4.122
  195   1HG   GLU  28          2HG       GLU  28   0.887  -7.952   2.587
  196   2HG   GLU  28          1HG       GLU  28  -0.203  -6.891   1.750
  197    H    HIS  29           H        HIS  29  -2.645  -6.857   5.723
  198    HA   HIS  29           HA       HIS  29  -3.501  -6.314   7.736
  199   1HB   HIS  29          2HB       HIS  29  -2.041  -8.300   8.276
  200   2HB   HIS  29          1HB       HIS  29  -0.803  -7.177   8.799
  201    HD1  HIS  29           1HD      HIS  29  -0.717  -7.526  11.239
  202    HD2  HIS  29           2HD      HIS  29  -4.617  -7.208   9.877
  203    HE1  HIS  29           1HE      HIS  29  -2.155  -7.580  13.300
  204    HE2  HIS  29           2HE      HIS  29  -4.470  -7.810  12.366
  205    H    LEU  30           H        LEU  30  -2.105  -4.179   6.288
  206    HA   LEU  30           HA       LEU  30  -1.112  -2.540   8.494
  207   1HB   LEU  30          2HB       LEU  30  -0.774  -2.197   5.521
  208   2HB   LEU  30          1HB       LEU  30  -0.188  -1.050   6.709
  209    HG   LEU  30           HG       LEU  30   0.738  -3.911   6.410
  210   1HD1  LEU  30          1HD1      LEU  30   2.136  -1.315   5.824
  211   2HD1  LEU  30          2HD1      LEU  30   1.576  -2.499   4.642
  212   3HD1  LEU  30          3HD1      LEU  30   2.872  -2.914   5.762
  213   1HD2  LEU  30          1HD2      LEU  30   2.441  -3.306   8.089
  214   2HD2  LEU  30          2HD2      LEU  30   0.807  -3.274   8.737
  215   3HD2  LEU  30          3HD2      LEU  30   1.624  -1.762   8.334
  216    H    ARG  31           H        ARG  31  -1.494  -0.005   7.444
  217    HA   ARG  31           HA       ARG  31  -4.086   0.508   8.512
  218   1HB   ARG  31          2HB       ARG  31  -2.002   1.977   8.697
  219   2HB   ARG  31          1HB       ARG  31  -2.279   2.363   7.051
  220   1HG   ARG  31          2HG       ARG  31  -4.510   3.267   7.572
  221   2HG   ARG  31          1HG       ARG  31  -4.155   3.027   9.293
  222   1HD   ARG  31          2HD       ARG  31  -2.234   4.464   9.129
  223   2HD   ARG  31          1HD       ARG  31  -2.466   4.633   7.395
  224    HE   ARG  31           HE       ARG  31  -4.065   5.814   9.517
  225   1HH1  ARG  31          1HH1      ARG  31  -3.846   5.328   6.019
  226   2HH1  ARG  31          2HH1      ARG  31  -4.316   6.910   5.623
  227   1HH2  ARG  31          1HH2      ARG  31  -4.700   8.006   8.964
  228   2HH2  ARG  31          2HH2      ARG  31  -4.815   8.467   7.316
  229    H    SER  32           H        SER  32  -2.674   1.371   5.368
  230    HA   SER  32           HA       SER  32  -5.236   1.099   4.004
  231   1HB   SER  32          2HB       SER  32  -3.694   3.698   3.932
  232   2HB   SER  32          1HB       SER  32  -5.280   3.362   3.274
  233    HG   SER  32           HG       SER  32  -6.108   3.940   5.078
  234    H    GLY  33           H        GLY  33  -4.716   1.909   1.690
  235   1HA   GLY  33          2HA       GLY  33  -1.946   1.611   0.938
  236   2HA   GLY  33          1HA       GLY  33  -3.067   0.406   0.306
  237    H    ARG  34           H        ARG  34  -1.537   2.541  -1.011
  238    HA   ARG  34           HA       ARG  34  -3.731   3.587  -2.623
  239   1HB   ARG  34          2HB       ARG  34  -1.828   5.305  -1.082
  240   2HB   ARG  34          1HB       ARG  34  -2.481   5.851  -2.618
  241   1HG   ARG  34          2HG       ARG  34  -4.637   5.727  -1.848
  242   2HG   ARG  34          1HG       ARG  34  -4.181   4.971  -0.309
  243   1HD   ARG  34          2HD       ARG  34  -3.430   7.757  -1.236
  244   2HD   ARG  34          1HD       ARG  34  -4.632   7.368  -0.006
  245    HE   ARG  34           HE       ARG  34  -1.943   6.386   0.491
  246   1HH1  ARG  34          1HH1      ARG  34  -4.325   8.914   1.157
  247   2HH1  ARG  34          2HH1      ARG  34  -3.497   9.520   2.516
  248   1HH2  ARG  34          1HH2      ARG  34  -0.822   7.177   2.342
  249   2HH2  ARG  34          2HH2      ARG  34  -1.454   8.505   3.215
  250    H    CYS  35           H        CYS  35  -3.164   4.412  -4.520
  251    HA   CYS  35           HA       CYS  35  -0.741   3.258  -5.656
  252   1HB   CYS  35          2HB       CYS  35  -2.734   2.899  -6.965
  253   2HB   CYS  35          1HB       CYS  35  -3.141   4.612  -6.884
  254    H    ARG  36           H        ARG  36   0.966   4.535  -6.084
  255    HA   ARG  36           HA       ARG  36   0.447   7.381  -5.883
  256   1HB   ARG  36          2HB       ARG  36   2.821   5.837  -4.860
  257   2HB   ARG  36          1HB       ARG  36   2.843   7.583  -5.103
  258   1HG   ARG  36          2HG       ARG  36   1.035   7.893  -3.565
  259   2HG   ARG  36          1HG       ARG  36   0.829   6.164  -3.393
  260   1HD   ARG  36          2HD       ARG  36   1.990   7.259  -1.490
  261   2HD   ARG  36          1HD       ARG  36   2.891   5.958  -2.245
  262    HE   ARG  36           HE       ARG  36   3.837   8.174  -3.469
  263   1HH1  ARG  36          1HH1      ARG  36   3.334   7.419  -0.011
  264   2HH1  ARG  36          2HH1      ARG  36   4.830   8.027   0.485
  265   1HH2  ARG  36          1HH2      ARG  36   5.940   9.070  -2.726
  266   2HH2  ARG  36          2HH2      ARG  36   6.342   8.988  -1.086
  267    H    ASP  37           H        ASP  37   2.405   8.649  -6.870
  268    HA   ASP  37           HA       ASP  37   1.985   8.390  -9.637
  269   1HB   ASP  37          2HB       ASP  37   3.895  10.110  -8.072
  270   2HB   ASP  37          1HB       ASP  37   3.829  10.155  -9.827
  271    H    ASP  38           H        ASP  38   4.215   6.831  -7.717
  272    HA   ASP  38           HA       ASP  38   6.079   6.312  -9.869
  273   1HB   ASP  38          2HB       ASP  38   7.260   4.925  -8.109
  274   2HB   ASP  38          1HB       ASP  38   7.128   6.645  -7.765
  275    H    PHE  39           H        PHE  39   3.137   5.238  -9.338
  276    HA   PHE  39           HA       PHE  39   1.874   3.569 -10.147
  277   1HB   PHE  39          2HB       PHE  39   4.402   2.630 -11.537
  278   2HB   PHE  39          1HB       PHE  39   2.814   1.945 -11.789
  279    HD1  PHE  39           1HD      PHE  39   1.088   3.159 -12.979
  280    HD2  PHE  39           2HD      PHE  39   4.975   4.806 -12.451
  281    HE1  PHE  39           1HE      PHE  39   0.622   4.811 -14.739
  282    HE2  PHE  39           2HE      PHE  39   4.514   6.465 -14.203
  283    HZ   PHE  39           HZ       PHE  39   2.334   6.466 -15.352
  284    H    ARG  40           H        ARG  40   3.475   3.268  -7.665
  285    HA   ARG  40           HA       ARG  40   3.239   0.368  -7.461
  286   1HB   ARG  40          2HB       ARG  40   5.083   2.259  -6.023
  287   2HB   ARG  40          1HB       ARG  40   4.840   0.583  -5.545
  288   1HG   ARG  40          2HG       ARG  40   5.760   1.400  -8.282
  289   2HG   ARG  40          1HG       ARG  40   6.863   1.021  -6.950
  290   1HD   ARG  40          2HD       ARG  40   4.764  -0.862  -8.049
  291   2HD   ARG  40          1HD       ARG  40   6.480  -0.900  -8.459
  292    HE   ARG  40           HE       ARG  40   6.800  -1.131  -5.973
  293   1HH1  ARG  40          1HH1      ARG  40   4.105  -2.673  -7.748
  294   2HH1  ARG  40          2HH1      ARG  40   3.918  -3.879  -6.559
  295   1HH2  ARG  40          1HH2      ARG  40   6.461  -2.846  -4.392
  296   2HH2  ARG  40          2HH2      ARG  40   5.274  -4.014  -4.676
  297    H    CYS  41           H        CYS  41   2.468  -0.469  -5.527
  298    HA   CYS  41           HA       CYS  41   0.381   1.075  -4.299
  299   1HB   CYS  41          2HB       CYS  41  -0.071  -1.117  -5.020
  300   2HB   CYS  41          1HB       CYS  41   1.306  -1.790  -4.161
  301    H    TRP  42           H        TRP  42   0.753   2.137  -2.547
  302    HA   TRP  42           HA       TRP  42   2.986   1.387  -0.799
  303   1HB   TRP  42          2HB       TRP  42   1.590   4.017  -1.297
  304   2HB   TRP  42          1HB       TRP  42   2.645   3.739   0.074
  305    HD1  TRP  42           HD       TRP  42   2.836   3.757  -3.807
  306    HE1  TRP  42           1HE      TRP  42   5.211   4.517  -4.476
  307    HE3  TRP  42           3HE      TRP  42   4.901   4.138   0.863
  308    HZ2  TRP  42           2HZ      TRP  42   7.623   5.221  -3.163
  309    HZ3  TRP  42           3HZ      TRP  42   7.189   4.876   1.075
  310    HH2  TRP  42           HH       TRP  42   8.549   5.404  -0.882
  311    H    CYS  43           H        CYS  43   2.420   0.688   1.125
  312    HA   CYS  43           HA       CYS  43  -0.367   0.783   1.990
  313   1HB   CYS  43          2HB       CYS  43   1.977  -0.779   3.083
  314   2HB   CYS  43          1HB       CYS  43   0.301  -0.929   3.585
  315    H    THR  44           H        THR  44  -0.881   2.052   3.707
  316    HA   THR  44           HA       THR  44   1.191   3.746   4.770
  317    HB   THR  44           HB       THR  44  -1.749   3.793   5.469
  318    HG1  THR  44           1HG      THR  44  -0.550   5.001   3.134
  319   1HG2  THR  44          1HG2      THR  44  -0.217   5.299   6.694
  320   2HG2  THR  44          2HG2      THR  44  -1.338   6.209   5.684
  321   3HG2  THR  44          3HG2      THR  44   0.330   5.976   5.158
  322    H    ARG  45           H        ARG  45   1.598   3.772   7.034
  323    HA   ARG  45           HA       ARG  45   0.244   1.812   8.670
  324   1HB   ARG  45          2HB       ARG  45   2.496   1.218   9.712
  325   2HB   ARG  45          1HB       ARG  45   2.156   0.533   8.133
  326   1HG   ARG  45          2HG       ARG  45   3.616   2.066   7.058
  327   2HG   ARG  45          1HG       ARG  45   3.766   3.027   8.526
  328   1HD   ARG  45          2HD       ARG  45   5.730   1.530   7.981
  329   2HD   ARG  45          1HD       ARG  45   5.064   1.365   9.600
  330    HE   ARG  45           HE       ARG  45   3.948  -0.626   8.848
  331   1HH1  ARG  45          1HH1      ARG  45   6.544   0.490   6.672
  332   2HH1  ARG  45          2HH1      ARG  45   7.010  -1.103   6.273
  333   1HH2  ARG  45          1HH2      ARG  45   4.671  -2.788   8.218
  334   2HH2  ARG  45          2HH2      ARG  45   5.925  -2.943   7.090
  335    H    ASN  46           H        ASN  46   0.047   2.411  10.808
  336    HA   ASN  46           HA       ASN  46   0.261   5.126  11.343
  337   1HB   ASN  46          2HB       ASN  46  -0.641   2.676  12.723
  338   2HB   ASN  46          1HB       ASN  46  -0.341   4.111  13.677
  339   1HD2  ASN  46          1HD2      ASN  46  -2.818   2.663  13.021
  340   2HD2  ASN  46          2HD2      ASN  46  -3.870   3.824  12.319
  341    H    CYS  47           H        CYS  47   1.645   6.215  12.566
  342    HA   CYS  47           HA       CYS  47   3.421   5.040  14.355
  343   1HB   CYS  47          2HB       CYS  47   5.505   5.889  13.262
  344   2HB   CYS  47          1HB       CYS  47   4.728   4.706  12.233
  Start of MODEL    7
    1   1H    LYS   1          1HT       LYS   1   3.567  11.762  11.475
    2   2H    LYS   1          2HT       LYS   1   5.123  11.160  11.390
    3   3H    LYS   1          3HT       LYS   1   4.518  11.711  12.868
    4    HA   LYS   1           HA       LYS   1   4.550   9.302  12.754
    5   1HB   LYS   1          2HB       LYS   1   1.772  10.501  12.613
    6   2HB   LYS   1          1HB       LYS   1   2.152   8.911  13.219
    7   1HG   LYS   1          2HG       LYS   1   3.459   9.894  15.039
    8   2HG   LYS   1          1HG       LYS   1   3.056  11.506  14.444
    9   1HD   LYS   1          2HD       LYS   1   0.705  11.073  14.807
   10   2HD   LYS   1          1HD       LYS   1   1.057   9.423  15.305
   11   1HE   LYS   1          2HE       LYS   1   2.328  10.258  17.202
   12   2HE   LYS   1          1HE       LYS   1   2.008  11.916  16.701
   13   1HZ   LYS   1          1HZ       LYS   1   0.520  11.192  18.455
   14   2HZ   LYS   1          2HZ       LYS   1  -0.035   9.919  17.511
   15   3HZ   LYS   1          3HZ       LYS   1  -0.357  11.516  17.047
   16    H    THR   2           H        THR   2   2.721   7.692  11.938
   17    HA   THR   2           HA       THR   2   1.985   6.364  10.386
   18    HB   THR   2           HB       THR   2   1.032   7.198   8.257
   19    HG1  THR   2           1HG      THR   2   1.645   9.168   7.740
   20   1HG2  THR   2          1HG2      THR   2  -0.393   6.772  10.115
   21   2HG2  THR   2          2HG2      THR   2  -0.927   8.274   9.370
   22   3HG2  THR   2          3HG2      THR   2   0.024   8.316  10.859
   23    H    CYS   3           H        CYS   3   2.809   4.956   9.392
   24    HA   CYS   3           HA       CYS   3   5.317   5.429   7.969
   25   1HB   CYS   3          2HB       CYS   3   4.223   2.961   9.349
   26   2HB   CYS   3          1HB       CYS   3   5.698   2.967   8.403
   27    H    GLU   4           H        GLU   4   5.561   4.632   5.889
   28    HA   GLU   4           HA       GLU   4   3.301   3.276   4.719
   29   1HB   GLU   4          2HB       GLU   4   2.990   5.786   4.641
   30   2HB   GLU   4          1HB       GLU   4   4.413   5.836   3.633
   31   1HG   GLU   4          2HG       GLU   4   3.336   4.726   1.886
   32   2HG   GLU   4          1HG       GLU   4   1.994   4.247   2.946
   33    H    ASN   5           H        ASN   5   3.998   1.883   3.222
   34    HA   ASN   5           HA       ASN   5   6.638   2.141   2.012
   35   1HB   ASN   5          2HB       ASN   5   6.743   0.855   4.338
   36   2HB   ASN   5          1HB       ASN   5   5.918  -0.397   3.407
   37   1HD2  ASN   5          1HD2      ASN   5   8.863   1.343   3.846
   38   2HD2  ASN   5          2HD2      ASN   5   9.843   0.285   2.899
   39    H    LEU   6           H        LEU   6   6.869   0.339   0.393
   40    HA   LEU   6           HA       LEU   6   4.538   0.337  -1.106
   41   1HB   LEU   6          2HB       LEU   6   7.164  -1.045  -1.463
   42   2HB   LEU   6          1HB       LEU   6   5.888  -0.840  -2.630
   43    HG   LEU   6           HG       LEU   6   6.309   1.697  -2.284
   44   1HD1  LEU   6          1HD1      LEU   6   8.920   0.599  -1.314
   45   2HD1  LEU   6          2HD1      LEU   6   7.790   1.654  -0.438
   46   3HD1  LEU   6          3HD1      LEU   6   8.626   2.244  -1.866
   47   1HD2  LEU   6          1HD2      LEU   6   8.259  -0.024  -3.795
   48   2HD2  LEU   6          2HD2      LEU   6   8.000   1.704  -4.045
   49   3HD2  LEU   6          3HD2      LEU   6   6.699   0.562  -4.372
   50    H    ALA   7           H        ALA   7   3.323  -1.388  -1.595
   51    HA   ALA   7           HA       ALA   7   3.108  -3.544   0.213
   52   1HB   ALA   7          1HB       ALA   7   2.012  -3.170  -2.570
   53   2HB   ALA   7          2HB       ALA   7   1.203  -2.753  -1.057
   54   3HB   ALA   7          3HB       ALA   7   1.521  -4.445  -1.455
   55    H    ASN   8           H        ASN   8   4.310  -5.273   0.289
   56    HA   ASN   8           HA       ASN   8   6.488  -5.537  -1.584
   57   1HB   ASN   8          2HB       ASN   8   7.430  -7.196  -0.115
   58   2HB   ASN   8          1HB       ASN   8   6.799  -5.893   0.876
   59   1HD2  ASN   8          1HD2      ASN   8   6.587  -9.218   0.033
   60   2HD2  ASN   8          2HD2      ASN   8   5.441  -9.669   1.241
   61    H    THR   9           H        THR   9   3.438  -6.999  -1.169
   62    HA   THR   9           HA       THR   9   4.288  -9.031  -3.065
   63    HB   THR   9           HB       THR   9   2.037 -10.170  -2.388
   64    HG1  THR   9           1HG      THR   9   2.387  -8.218  -0.371
   65   1HG2  THR   9          1HG2      THR   9   4.488 -10.151  -0.636
   66   2HG2  THR   9          2HG2      THR   9   4.227 -11.150  -2.071
   67   3HG2  THR   9          3HG2      THR   9   3.243 -11.400  -0.630
   68    H    TYR  10           H        TYR  10   3.079  -6.237  -3.292
   69    HA   TYR  10           HA       TYR  10   1.123  -6.895  -5.375
   70   1HB   TYR  10          2HB       TYR  10   0.600  -4.979  -3.804
   71   2HB   TYR  10          1HB       TYR  10   2.031  -4.155  -4.399
   72    HD1  TYR  10           1HD      TYR  10   2.052  -3.212  -6.686
   73    HD2  TYR  10           2HD      TYR  10  -1.438  -5.048  -5.083
   74    HE1  TYR  10           1HE      TYR  10   0.702  -2.170  -8.445
   75    HE2  TYR  10           2HE      TYR  10  -2.802  -4.008  -6.851
   76    HH   TYR  10           HH       TYR  10  -1.415  -2.585  -9.584
   77    H    ARG  11           H        ARG  11   2.110  -7.458  -7.138
   78    HA   ARG  11           HA       ARG  11   4.807  -6.418  -7.620
   79   1HB   ARG  11          2HB       ARG  11   4.380  -8.889  -7.212
   80   2HB   ARG  11          1HB       ARG  11   3.559  -8.910  -8.759
   81   1HG   ARG  11          2HG       ARG  11   5.818  -9.749  -8.957
   82   2HG   ARG  11          1HG       ARG  11   5.626  -8.249  -9.867
   83   1HD   ARG  11          2HD       ARG  11   7.755  -8.416  -8.546
   84   2HD   ARG  11          1HD       ARG  11   6.786  -6.992  -8.208
   85    HE   ARG  11           HE       ARG  11   5.982  -8.205  -6.209
   86   1HH1  ARG  11          1HH1      ARG  11   9.110  -9.197  -7.570
   87   2HH1  ARG  11          2HH1      ARG  11   9.814  -9.533  -6.064
   88   1HH2  ARG  11          1HH2      ARG  11   6.977  -8.653  -4.108
   89   2HH2  ARG  11          2HH2      ARG  11   8.574  -9.228  -4.066
   90    H    GLY  12           H        GLY  12   4.776  -4.827  -9.094
   91   1HA   GLY  12          2HA       GLY  12   4.557  -4.549 -11.535
   92   2HA   GLY  12          1HA       GLY  12   2.895  -5.101 -11.329
   93    HA   PRO  13           HA       PRO  13   2.893  -0.503 -11.018
   94   1HB   PRO  13          2HB       PRO  13   0.948  -0.444 -13.138
   95   2HB   PRO  13          1HB       PRO  13   2.598   0.179 -13.148
   96   1HG   PRO  13          2HG       PRO  13   1.767  -1.961 -14.650
   97   2HG   PRO  13          1HG       PRO  13   3.438  -1.703 -14.116
   98   1HD   PRO  13          2HD       PRO  13   1.323  -3.471 -12.935
   99   2HD   PRO  13          1HD       PRO  13   3.051  -3.803 -13.197
  100    H    CYS  14           H        CYS  14   1.407   0.680 -10.049
  101    HA   CYS  14           HA       CYS  14  -0.885  -0.640  -8.960
  102   1HB   CYS  14          2HB       CYS  14   0.514   0.786  -7.561
  103   2HB   CYS  14          1HB       CYS  14   0.139   2.166  -8.588
  104    H    PHE  15           H        PHE  15  -2.852  -0.483  -9.686
  105    HA   PHE  15           HA       PHE  15  -3.373   1.484 -11.794
  106   1HB   PHE  15          2HB       PHE  15  -4.839  -1.093 -11.221
  107   2HB   PHE  15          1HB       PHE  15  -5.219   0.025 -12.526
  108    HD1  PHE  15           1HD      PHE  15  -3.430   0.471 -14.274
  109    HD2  PHE  15           2HD      PHE  15  -3.220  -2.752 -11.508
  110    HE1  PHE  15           1HE      PHE  15  -1.797  -0.659 -15.721
  111    HE2  PHE  15           2HE      PHE  15  -1.588  -3.892 -12.954
  112    HZ   PHE  15           HZ       PHE  15  -0.873  -2.844 -15.060
  113    H    THR  16           H        THR  16  -4.556   0.462  -8.642
  114    HA   THR  16           HA       THR  16  -6.289   2.785  -8.594
  115    HB   THR  16           HB       THR  16  -7.458   0.020  -8.136
  116    HG1  THR  16           1HG      THR  16  -7.197   1.578 -10.411
  117   1HG2  THR  16          1HG2      THR  16  -8.571   1.797  -6.880
  118   2HG2  THR  16          2HG2      THR  16  -9.616   1.207  -8.174
  119   3HG2  THR  16          3HG2      THR  16  -8.764   2.740  -8.359
  120    H    THR  17           H        THR  17  -6.436   3.622  -6.553
  121    HA   THR  17           HA       THR  17  -4.941   2.761  -4.382
  122    HB   THR  17           HB       THR  17  -7.269   4.651  -4.635
  123    HG1  THR  17           1HG      THR  17  -5.776   5.899  -5.271
  124   1HG2  THR  17          1HG2      THR  17  -5.557   4.221  -2.159
  125   2HG2  THR  17          2HG2      THR  17  -7.269   3.876  -2.309
  126   3HG2  THR  17          3HG2      THR  17  -6.701   5.541  -2.390
  127    H    GLY  18           H        GLY  18  -8.428   2.339  -5.041
  128   1HA   GLY  18          2HA       GLY  18  -9.137   1.050  -2.682
  129   2HA   GLY  18          1HA       GLY  18  -9.951   0.851  -4.225
  130    H    SER  19           H        SER  19  -7.548  -0.222  -5.513
  131    HA   SER  19           HA       SER  19  -7.870  -2.977  -4.797
  132   1HB   SER  19          2HB       SER  19  -5.976  -1.665  -6.756
  133   2HB   SER  19          1HB       SER  19  -6.432  -3.369  -6.731
  134    HG   SER  19           HG       SER  19  -8.616  -2.624  -7.023
  135    H    CYS  20           H        CYS  20  -5.347  -0.521  -4.676
  136    HA   CYS  20           HA       CYS  20  -3.264  -2.015  -3.565
  137   1HB   CYS  20          2HB       CYS  20  -2.974   0.313  -4.497
  138   2HB   CYS  20          1HB       CYS  20  -3.942   0.912  -3.199
  139    H    ASP  21           H        ASP  21  -5.723   0.017  -2.051
  140    HA   ASP  21           HA       ASP  21  -5.127  -0.299   0.619
  141   1HB   ASP  21          2HB       ASP  21  -6.728   1.321  -0.256
  142   2HB   ASP  21          1HB       ASP  21  -7.844   0.023  -0.682
  143    H    ASP  22           H        ASP  22  -7.305  -2.209  -1.405
  144    HA   ASP  22           HA       ASP  22  -8.227  -4.013   0.534
  145   1HB   ASP  22          2HB       ASP  22  -9.255  -3.854  -1.680
  146   2HB   ASP  22          1HB       ASP  22  -7.788  -4.491  -2.416
  147    H    HIS  23           H        HIS  23  -5.514  -4.234  -1.653
  148    HA   HIS  23           HA       HIS  23  -4.578  -6.744  -0.870
  149   1HB   HIS  23          2HB       HIS  23  -3.785  -5.755  -2.912
  150   2HB   HIS  23          1HB       HIS  23  -3.159  -4.354  -2.057
  151    HD1  HIS  23           1HD      HIS  23  -2.424  -7.964  -2.716
  152    HD2  HIS  23           2HD      HIS  23  -0.660  -4.666  -0.943
  153    HE1  HIS  23           1HE      HIS  23  -0.044  -8.629  -2.261
  154    HE2  HIS  23           2HE      HIS  23   0.882  -6.691  -0.930
  155    H    CYS  24           H        CYS  24  -3.716  -3.514   0.276
  156    HA   CYS  24           HA       CYS  24  -1.804  -4.417   2.078
  157   1HB   CYS  24          2HB       CYS  24  -3.400  -1.848   2.088
  158   2HB   CYS  24          1HB       CYS  24  -1.976  -2.137   3.079
  159    H    LYS  25           H        LYS  25  -5.364  -3.948   2.421
  160    HA   LYS  25           HA       LYS  25  -5.574  -4.165   5.158
  161   1HB   LYS  25          2HB       LYS  25  -7.357  -4.894   2.856
  162   2HB   LYS  25          1HB       LYS  25  -7.850  -4.960   4.518
  163   1HG   LYS  25          2HG       LYS  25  -6.938  -2.454   3.153
  164   2HG   LYS  25          1HG       LYS  25  -8.610  -2.995   3.152
  165   1HD   LYS  25          2HD       LYS  25  -8.496  -2.981   5.662
  166   2HD   LYS  25          1HD       LYS  25  -6.931  -2.176   5.504
  167   1HE   LYS  25          2HE       LYS  25  -7.933  -0.386   4.238
  168   2HE   LYS  25          1HE       LYS  25  -9.501  -1.183   4.293
  169   1HZ   LYS  25          1HZ       LYS  25  -7.993  -0.150   6.619
  170   2HZ   LYS  25          2HZ       LYS  25  -9.492  -0.939   6.682
  171   3HZ   LYS  25          3HZ       LYS  25  -9.363   0.560   5.918
  172    H    ASN  26           H        ASN  26  -6.405  -6.514   2.656
  173    HA   ASN  26           HA       ASN  26  -6.773  -8.600   4.544
  174   1HB   ASN  26          2HB       ASN  26  -8.279  -8.571   2.759
  175   2HB   ASN  26          1HB       ASN  26  -6.999  -8.408   1.567
  176   1HD2  ASN  26          1HD2      ASN  26  -6.033 -10.228   0.775
  177   2HD2  ASN  26          2HD2      ASN  26  -6.484 -11.828   1.181
  178    H    LYS  27           H        LYS  27  -4.336  -8.006   2.036
  179    HA   LYS  27           HA       LYS  27  -3.189 -10.581   2.668
  180   1HB   LYS  27          2HB       LYS  27  -3.423  -9.567   0.301
  181   2HB   LYS  27          1HB       LYS  27  -2.054  -8.563   0.728
  182   1HG   LYS  27          2HG       LYS  27  -2.045 -11.587   0.647
  183   2HG   LYS  27          1HG       LYS  27  -1.435 -10.539  -0.622
  184   1HD   LYS  27          2HD       LYS  27   0.264  -9.673   0.897
  185   2HD   LYS  27          1HD       LYS  27  -0.381 -10.658   2.206
  186   1HE   LYS  27          2HE       LYS  27   0.135 -12.677   0.882
  187   2HE   LYS  27          1HE       LYS  27   0.850 -11.640  -0.355
  188   1HZ   LYS  27          1HZ       LYS  27   1.780 -11.878   2.452
  189   2HZ   LYS  27          2HZ       LYS  27   2.439 -10.852   1.303
  190   3HZ   LYS  27          3HZ       LYS  27   2.546 -12.525   1.094
  191    H    GLU  28           H        GLU  28  -2.241  -7.142   2.916
  192    HA   GLU  28           HA       GLU  28   0.140  -8.127   4.234
  193   1HB   GLU  28          2HB       GLU  28  -0.370  -5.383   3.113
  194   2HB   GLU  28          1HB       GLU  28   1.134  -5.876   3.882
  195   1HG   GLU  28          2HG       GLU  28   1.083  -7.835   2.174
  196   2HG   GLU  28          1HG       GLU  28  -0.103  -6.887   1.333
  197    H    HIS  29           H        HIS  29  -2.755  -7.232   5.160
  198    HA   HIS  29           HA       HIS  29  -3.726  -6.847   7.108
  199   1HB   HIS  29          2HB       HIS  29  -1.102  -7.937   8.108
  200   2HB   HIS  29          1HB       HIS  29  -2.376  -7.472   9.223
  201    HD1  HIS  29           1HD      HIS  29  -3.975  -9.279   9.801
  202    HD2  HIS  29           2HD      HIS  29  -2.046 -10.027   6.200
  203    HE1  HIS  29           1HE      HIS  29  -4.684 -11.585   9.123
  204    HE2  HIS  29           2HE      HIS  29  -3.361 -12.083   7.050
  205    H    LEU  30           H        LEU  30  -2.616  -4.560   5.945
  206    HA   LEU  30           HA       LEU  30  -1.732  -3.106   8.315
  207   1HB   LEU  30          2HB       LEU  30  -1.233  -2.432   5.420
  208   2HB   LEU  30          1HB       LEU  30  -0.796  -1.395   6.754
  209    HG   LEU  30           HG       LEU  30   0.330  -4.160   6.259
  210   1HD1  LEU  30          1HD1      LEU  30   2.446  -2.969   5.908
  211   2HD1  LEU  30          2HD1      LEU  30   1.574  -1.434   5.982
  212   3HD1  LEU  30          3HD1      LEU  30   1.228  -2.595   4.697
  213   1HD2  LEU  30          1HD2      LEU  30   0.197  -3.748   8.631
  214   2HD2  LEU  30          2HD2      LEU  30   0.935  -2.159   8.431
  215   3HD2  LEU  30          3HD2      LEU  30   1.877  -3.615   8.108
  216    H    ARG  31           H        ARG  31  -2.197  -0.523   7.559
  217    HA   ARG  31           HA       ARG  31  -4.891  -0.341   8.485
  218   1HB   ARG  31          2HB       ARG  31  -2.713   1.126   8.898
  219   2HB   ARG  31          1HB       ARG  31  -3.289   1.958   7.512
  220   1HG   ARG  31          2HG       ARG  31  -5.060   1.639   9.928
  221   2HG   ARG  31          1HG       ARG  31  -3.993   3.020   9.687
  222   1HD   ARG  31          2HD       ARG  31  -5.128   3.545   7.606
  223   2HD   ARG  31          1HD       ARG  31  -6.162   2.137   7.797
  224    HE   ARG  31           HE       ARG  31  -6.409   3.773  10.041
  225   1HH1  ARG  31          1HH1      ARG  31  -7.160   3.882   6.577
  226   2HH1  ARG  31          2HH1      ARG  31  -8.598   4.775   6.759
  227   1HH2  ARG  31          1HH2      ARG  31  -8.374   5.049  10.280
  228   2HH2  ARG  31          2HH2      ARG  31  -9.309   5.434   8.891
  229    H    SER  32           H        SER  32  -3.247   0.985   5.604
  230    HA   SER  32           HA       SER  32  -5.595   0.546   3.949
  231   1HB   SER  32          2HB       SER  32  -4.465   3.348   4.250
  232   2HB   SER  32          1HB       SER  32  -5.843   2.843   3.295
  233    HG   SER  32           HG       SER  32  -6.690   2.084   5.390
  234    H    GLY  33           H        GLY  33  -4.942   1.696   1.735
  235   1HA   GLY  33          2HA       GLY  33  -2.099   1.594   1.257
  236   2HA   GLY  33          1HA       GLY  33  -3.095   0.401   0.412
  237    H    ARG  34           H        ARG  34  -1.547   2.819  -0.453
  238    HA   ARG  34           HA       ARG  34  -3.701   4.016  -2.060
  239   1HB   ARG  34          2HB       ARG  34  -1.660   5.520  -0.470
  240   2HB   ARG  34          1HB       ARG  34  -2.419   6.193  -1.905
  241   1HG   ARG  34          2HG       ARG  34  -4.533   5.945  -0.953
  242   2HG   ARG  34          1HG       ARG  34  -3.881   5.234   0.537
  243   1HD   ARG  34          2HD       ARG  34  -3.349   8.026  -0.519
  244   2HD   ARG  34          1HD       ARG  34  -4.348   7.619   0.872
  245    HE   ARG  34           HE       ARG  34  -1.722   6.617   1.204
  246   1HH1  ARG  34          1HH1      ARG  34  -3.607   9.599   1.409
  247   2HH1  ARG  34          2HH1      ARG  34  -2.532  10.388   2.450
  248   1HH2  ARG  34          1HH2      ARG  34  -0.224   7.679   2.684
  249   2HH2  ARG  34          2HH2      ARG  34  -0.553   9.255   3.197
  250    H    CYS  35           H        CYS  35  -3.347   4.796  -3.818
  251    HA   CYS  35           HA       CYS  35  -1.084   3.581  -5.163
  252   1HB   CYS  35          2HB       CYS  35  -3.514   3.376  -5.813
  253   2HB   CYS  35          1HB       CYS  35  -3.400   5.030  -6.405
  254    H    ARG  36           H        ARG  36   0.553   4.884  -4.803
  255    HA   ARG  36           HA       ARG  36   0.240   7.772  -4.886
  256   1HB   ARG  36          2HB       ARG  36   2.652   6.071  -4.283
  257   2HB   ARG  36          1HB       ARG  36   2.646   7.827  -4.262
  258   1HG   ARG  36          2HG       ARG  36   0.874   7.721  -2.514
  259   2HG   ARG  36          1HG       ARG  36   1.077   5.985  -2.495
  260   1HD   ARG  36          2HD       ARG  36   2.350   7.120  -0.700
  261   2HD   ARG  36          1HD       ARG  36   3.338   6.152  -1.781
  262    HE   ARG  36           HE       ARG  36   3.494   8.637  -2.841
  263   1HH1  ARG  36          1HH1      ARG  36   3.892   7.536   0.492
  264   2HH1  ARG  36          2HH1      ARG  36   5.266   8.503   0.793
  265   1HH2  ARG  36          1HH2      ARG  36   5.347  10.010  -2.412
  266   2HH2  ARG  36          2HH2      ARG  36   6.138   9.905  -0.908
  267    H    ASP  37           H        ASP  37   1.729   9.103  -6.136
  268    HA   ASP  37           HA       ASP  37   1.867   8.184  -8.854
  269   1HB   ASP  37          2HB       ASP  37   1.354  10.575  -8.302
  270   2HB   ASP  37          1HB       ASP  37   2.996  10.749  -7.692
  271    H    ASP  38           H        ASP  38   3.079   6.477  -8.331
  272    HA   ASP  38           HA       ASP  38   5.922   6.759  -8.925
  273   1HB   ASP  38          2HB       ASP  38   5.755   7.038  -6.440
  274   2HB   ASP  38          1HB       ASP  38   4.950   5.487  -6.337
  275    H    PHE  39           H        PHE  39   3.090   5.421  -9.676
  276    HA   PHE  39           HA       PHE  39   2.137   3.541 -10.276
  277   1HB   PHE  39          2HB       PHE  39   4.954   2.971 -11.219
  278   2HB   PHE  39          1HB       PHE  39   3.612   1.899 -11.550
  279    HD1  PHE  39           1HD      PHE  39   5.203   5.029 -12.388
  280    HD2  PHE  39           2HD      PHE  39   1.748   2.624 -12.951
  281    HE1  PHE  39           1HE      PHE  39   4.592   6.372 -14.343
  282    HE2  PHE  39           2HE      PHE  39   1.125   3.960 -14.915
  283    HZ   PHE  39           HZ       PHE  39   2.546   5.837 -15.617
  284    H    ARG  40           H        ARG  40   3.276   3.562  -7.516
  285    HA   ARG  40           HA       ARG  40   3.266   0.667  -7.205
  286   1HB   ARG  40          2HB       ARG  40   5.045   2.588  -5.684
  287   2HB   ARG  40          1HB       ARG  40   4.810   0.893  -5.311
  288   1HG   ARG  40          2HG       ARG  40   5.794   1.837  -7.970
  289   2HG   ARG  40          1HG       ARG  40   6.867   1.409  -6.625
  290   1HD   ARG  40          2HD       ARG  40   4.820  -0.437  -7.883
  291   2HD   ARG  40          1HD       ARG  40   6.539  -0.433  -8.257
  292    HE   ARG  40           HE       ARG  40   6.694  -0.735  -5.694
  293   1HH1  ARG  40          1HH1      ARG  40   4.392  -2.426  -7.888
  294   2HH1  ARG  40          2HH1      ARG  40   4.352  -3.796  -6.868
  295   1HH2  ARG  40          1HH2      ARG  40   6.576  -2.697  -4.400
  296   2HH2  ARG  40          2HH2      ARG  40   5.588  -3.970  -4.938
  297    H    CYS  41           H        CYS  41   2.323  -0.178  -5.543
  298    HA   CYS  41           HA       CYS  41   0.256   1.302  -4.223
  299   1HB   CYS  41          2HB       CYS  41  -0.245  -0.835  -5.066
  300   2HB   CYS  41          1HB       CYS  41   1.147  -1.586  -4.286
  301    H    TRP  42           H        TRP  42   0.584   2.249  -2.335
  302    HA   TRP  42           HA       TRP  42   2.811   1.351  -0.658
  303   1HB   TRP  42          2HB       TRP  42   1.598   4.083  -1.027
  304   2HB   TRP  42          1HB       TRP  42   2.636   3.674   0.326
  305    HD1  TRP  42           HD       TRP  42   2.813   3.803  -3.548
  306    HE1  TRP  42           1HE      TRP  42   5.252   4.461  -4.200
  307    HE3  TRP  42           3HE      TRP  42   4.927   3.923   1.114
  308    HZ2  TRP  42           2HZ      TRP  42   7.676   4.990  -2.898
  309    HZ3  TRP  42           3HZ      TRP  42   7.249   4.533   1.336
  310    HH2  TRP  42           HH       TRP  42   8.629   5.056  -0.626
  311    H    CYS  43           H        CYS  43   2.130   0.292   1.017
  312    HA   CYS  43           HA       CYS  43  -0.546   0.552   2.058
  313   1HB   CYS  43          2HB       CYS  43   1.825  -1.074   3.014
  314   2HB   CYS  43          1HB       CYS  43   0.160  -1.224   3.570
  315    H    THR  44           H        THR  44  -1.002   1.580   4.066
  316    HA   THR  44           HA       THR  44   1.257   3.070   5.119
  317    HB   THR  44           HB       THR  44  -0.245   4.391   3.525
  318    HG1  THR  44           1HG      THR  44   0.487   5.909   4.511
  319   1HG2  THR  44          1HG2      THR  44  -2.398   3.472   4.134
  320   2HG2  THR  44          2HG2      THR  44  -2.394   5.219   4.399
  321   3HG2  THR  44          3HG2      THR  44  -2.241   4.117   5.770
  322    H    ARG  45           H        ARG  45   1.029   3.421   7.365
  323    HA   ARG  45           HA       ARG  45  -1.259   2.309   8.737
  324   1HB   ARG  45          2HB       ARG  45   0.098   0.888  10.211
  325   2HB   ARG  45          1HB       ARG  45   0.197   0.347   8.543
  326   1HG   ARG  45          2HG       ARG  45   2.398   1.122   8.307
  327   2HG   ARG  45          1HG       ARG  45   2.273   2.143   9.742
  328   1HD   ARG  45          2HD       ARG  45   2.203  -0.875   9.766
  329   2HD   ARG  45          1HD       ARG  45   3.625   0.106  10.123
  330    HE   ARG  45           HE       ARG  45   1.758   1.089  11.818
  331   1HH1  ARG  45          1HH1      ARG  45   3.054  -2.137  11.274
  332   2HH1  ARG  45          2HH1      ARG  45   2.755  -2.696  12.851
  333   1HH2  ARG  45          1HH2      ARG  45   1.354   0.370  13.981
  334   2HH2  ARG  45          2HH2      ARG  45   1.735  -1.221  14.440
  335    H    ASN  46           H        ASN  46  -1.261   2.913  11.054
  336    HA   ASN  46           HA       ASN  46  -0.081   5.387  11.510
  337   1HB   ASN  46          2HB       ASN  46  -1.587   3.420  13.213
  338   2HB   ASN  46          1HB       ASN  46  -1.157   5.054  13.671
  339   1HD2  ASN  46          1HD2      ASN  46  -2.228   6.796  12.662
  340   2HD2  ASN  46          2HD2      ASN  46  -3.710   6.543  11.805
  341    H    CYS  47           H        CYS  47   1.589   5.810  12.888
  342    HA   CYS  47           HA       CYS  47   2.720   3.955  14.624
  343   1HB   CYS  47          2HB       CYS  47   4.969   3.838  13.603
  344   2HB   CYS  47          1HB       CYS  47   3.798   3.145  12.490
  Start of MODEL    8
    1   1H    LYS   1          1HT       LYS   1   5.073   7.562  15.397
    2   2H    LYS   1          2HT       LYS   1   5.053   6.126  14.495
    3   3H    LYS   1          3HT       LYS   1   3.648   6.663  15.196
    4    HA   LYS   1           HA       LYS   1   3.604   8.583  13.747
    5   1HB   LYS   1          2HB       LYS   1   5.962   7.205  12.425
    6   2HB   LYS   1          1HB       LYS   1   5.109   8.594  11.816
    7   1HG   LYS   1          2HG       LYS   1   5.911   9.968  13.637
    8   2HG   LYS   1          1HG       LYS   1   6.707   8.575  14.369
    9   1HD   LYS   1          2HD       LYS   1   8.309   9.980  13.135
   10   2HD   LYS   1          1HD       LYS   1   8.180   8.373  12.421
   11   1HE   LYS   1          2HE       LYS   1   6.709   9.257  10.676
   12   2HE   LYS   1          1HE       LYS   1   6.776  10.857  11.407
   13   1HZ   LYS   1          1HZ       LYS   1   9.166  10.883  10.946
   14   2HZ   LYS   1          2HZ       LYS   1   8.283  10.735   9.543
   15   3HZ   LYS   1          3HZ       LYS   1   9.067   9.390  10.182
   16    H    THR   2           H        THR   2   3.333   8.135  11.201
   17    HA   THR   2           HA       THR   2   2.538   5.385  10.820
   18    HB   THR   2           HB       THR   2   0.848   6.302   9.183
   19    HG1  THR   2           1HG      THR   2   1.163   8.626  10.822
   20   1HG2  THR   2          1HG2      THR   2  -0.899   6.609  10.932
   21   2HG2  THR   2          2HG2      THR   2   0.383   6.720  12.138
   22   3HG2  THR   2          3HG2      THR   2   0.149   5.224  11.236
   23    H    CYS   3           H        CYS   3   3.340   4.514   9.125
   24    HA   CYS   3           HA       CYS   3   5.031   6.201   7.418
   25   1HB   CYS   3          2HB       CYS   3   5.495   3.357   8.339
   26   2HB   CYS   3          1HB       CYS   3   6.460   4.228   7.151
   27    H    GLU   4           H        GLU   4   4.540   6.162   5.380
   28    HA   GLU   4           HA       GLU   4   2.794   4.026   4.394
   29   1HB   GLU   4          2HB       GLU   4   2.087   6.470   4.170
   30   2HB   GLU   4          1HB       GLU   4   3.458   6.658   3.118
   31   1HG   GLU   4          2HG       GLU   4   2.576   5.233   1.500
   32   2HG   GLU   4          1HG       GLU   4   1.251   4.697   2.541
   33    H    ASN   5           H        ASN   5   3.835   2.489   3.461
   34    HA   ASN   5           HA       ASN   5   6.154   3.112   1.785
   35   1HB   ASN   5          2HB       ASN   5   6.146   1.042   4.001
   36   2HB   ASN   5          1HB       ASN   5   7.343   1.110   2.719
   37   1HD2  ASN   5          1HD2      ASN   5   8.835   2.784   2.706
   38   2HD2  ASN   5          2HD2      ASN   5   9.111   3.781   4.071
   39    H    LEU   6           H        LEU   6   6.629   1.524   0.276
   40    HA   LEU   6           HA       LEU   6   4.492   0.682  -1.146
   41   1HB   LEU   6          2HB       LEU   6   7.358  -0.072  -1.011
   42   2HB   LEU   6          1HB       LEU   6   6.266  -0.707  -2.217
   43    HG   LEU   6           HG       LEU   6   6.698   2.254  -1.856
   44   1HD1  LEU   6          1HD1      LEU   6   8.846   1.240  -2.365
   45   2HD1  LEU   6          2HD1      LEU   6   8.227   2.118  -3.764
   46   3HD1  LEU   6          3HD1      LEU   6   8.128   0.360  -3.714
   47   1HD2  LEU   6          1HD2      LEU   6   5.842   2.338  -4.142
   48   2HD2  LEU   6          2HD2      LEU   6   4.678   1.588  -3.057
   49   3HD2  LEU   6          3HD2      LEU   6   5.646   0.588  -4.141
   50    H    ALA   7           H        ALA   7   3.409  -1.174  -1.364
   51    HA   ALA   7           HA       ALA   7   3.032  -2.867   0.791
   52   1HB   ALA   7          1HB       ALA   7   1.756  -4.251  -0.755
   53   2HB   ALA   7          2HB       ALA   7   2.450  -3.348  -2.111
   54   3HB   ALA   7          3HB       ALA   7   1.396  -2.537  -0.958
   55    H    ASN   8           H        ASN   8   3.539  -5.021   1.128
   56    HA   ASN   8           HA       ASN   8   6.280  -5.629   0.390
   57   1HB   ASN   8          2HB       ASN   8   4.381  -7.017   2.285
   58   2HB   ASN   8          1HB       ASN   8   6.068  -7.445   2.052
   59   1HD2  ASN   8          1HD2      ASN   8   3.839  -5.122   3.353
   60   2HD2  ASN   8          2HD2      ASN   8   4.984  -4.308   4.361
   61    H    THR   9           H        THR   9   3.049  -6.868  -0.091
   62    HA   THR   9           HA       THR   9   4.178  -9.109  -1.639
   63    HB   THR   9           HB       THR   9   1.488  -9.083  -0.242
   64    HG1  THR   9           1HG      THR   9   3.397  -8.714   1.137
   65   1HG2  THR   9          1HG2      THR   9   1.868 -10.858  -1.942
   66   2HG2  THR   9          2HG2      THR   9   1.758 -11.530  -0.320
   67   3HG2  THR   9          3HG2      THR   9   3.333 -11.347  -1.089
   68    H    TYR  10           H        TYR  10   3.336  -6.326  -2.489
   69    HA   TYR  10           HA       TYR  10   1.216  -7.114  -4.371
   70   1HB   TYR  10          2HB       TYR  10   0.831  -5.026  -2.988
   71   2HB   TYR  10          1HB       TYR  10   2.186  -4.295  -3.826
   72    HD1  TYR  10           1HD      TYR  10   1.958  -3.664  -6.235
   73    HD2  TYR  10           2HD      TYR  10  -1.305  -5.278  -4.028
   74    HE1  TYR  10           1HE      TYR  10   0.391  -2.850  -7.957
   75    HE2  TYR  10           2HE      TYR  10  -2.870  -4.481  -5.744
   76    HH   TYR  10           HH       TYR  10  -1.888  -3.370  -8.786
   77    H    ARG  11           H        ARG  11   1.725  -7.381  -6.399
   78    HA   ARG  11           HA       ARG  11   4.165  -6.255  -7.477
   79   1HB   ARG  11          2HB       ARG  11   4.785  -8.457  -6.543
   80   2HB   ARG  11          1HB       ARG  11   3.521  -9.211  -7.500
   81   1HG   ARG  11          2HG       ARG  11   4.682  -8.526  -9.545
   82   2HG   ARG  11          1HG       ARG  11   5.951  -7.798  -8.563
   83   1HD   ARG  11          2HD       ARG  11   5.171 -10.706  -8.462
   84   2HD   ARG  11          1HD       ARG  11   6.521 -10.060  -9.389
   85    HE   ARG  11           HE       ARG  11   7.244  -9.188  -7.076
   86   1HH1  ARG  11          1HH1      ARG  11   5.680 -12.339  -7.656
   87   2HH1  ARG  11          2HH1      ARG  11   6.525 -13.105  -6.393
   88   1HH2  ARG  11          1HH2      ARG  11   8.416 -10.338  -5.356
   89   2HH2  ARG  11          2HH2      ARG  11   8.069 -11.986  -5.105
   90    H    GLY  12           H        GLY  12   3.380  -5.190  -9.142
   91   1HA   GLY  12          2HA       GLY  12   2.540  -5.901 -11.478
   92   2HA   GLY  12          1HA       GLY  12   1.057  -6.197 -10.566
   93    HA   PRO  13           HA       PRO  13   1.266  -1.684 -11.343
   94   1HB   PRO  13          2HB       PRO  13  -0.523  -1.341 -13.308
   95   2HB   PRO  13          1HB       PRO  13   1.151  -1.784 -13.654
   96   1HG   PRO  13          2HG       PRO  13  -1.294  -3.448 -13.693
   97   2HG   PRO  13          1HG       PRO  13   0.152  -3.543 -14.712
   98   1HD   PRO  13          2HD       PRO  13  -0.406  -5.172 -12.466
   99   2HD   PRO  13          1HD       PRO  13   1.163  -5.017 -13.274
  100    H    CYS  14           H        CYS  14  -0.233  -0.214 -10.634
  101    HA   CYS  14           HA       CYS  14  -2.687  -1.291  -9.476
  102   1HB   CYS  14          2HB       CYS  14  -1.140  -0.552  -7.783
  103   2HB   CYS  14          1HB       CYS  14  -0.837   0.949  -8.634
  104    H    PHE  15           H        PHE  15  -4.454   0.271  -9.431
  105    HA   PHE  15           HA       PHE  15  -4.356   2.338 -11.496
  106   1HB   PHE  15          2HB       PHE  15  -6.553   0.248 -11.286
  107   2HB   PHE  15          1HB       PHE  15  -6.596   1.653 -12.332
  108    HD1  PHE  15           1HD      PHE  15  -5.176  -1.675 -11.807
  109    HD2  PHE  15           2HD      PHE  15  -5.250   1.742 -14.342
  110    HE1  PHE  15           1HE      PHE  15  -4.111  -2.986 -13.595
  111    HE2  PHE  15           2HE      PHE  15  -4.186   0.437 -16.133
  112    HZ   PHE  15           HZ       PHE  15  -3.616  -1.924 -15.764
  113    H    THR  16           H        THR  16  -6.601   0.803  -9.211
  114    HA   THR  16           HA       THR  16  -7.626   3.413  -8.453
  115    HB   THR  16           HB       THR  16  -8.592   0.627  -7.764
  116    HG1  THR  16           1HG      THR  16  -9.200   2.403  -9.888
  117   1HG2  THR  16          1HG2      THR  16  -9.999   3.310  -7.697
  118   2HG2  THR  16          2HG2      THR  16  -9.478   2.387  -6.287
  119   3HG2  THR  16          3HG2      THR  16 -10.741   1.751  -7.340
  120    H    THR  17           H        THR  17  -7.208   4.319  -6.468
  121    HA   THR  17           HA       THR  17  -5.209   3.489  -4.740
  122    HB   THR  17           HB       THR  17  -7.556   5.315  -4.219
  123    HG1  THR  17           1HG      THR  17  -6.329   6.825  -5.202
  124   1HG2  THR  17          1HG2      THR  17  -4.837   5.354  -2.942
  125   2HG2  THR  17          2HG2      THR  17  -6.236   4.590  -2.194
  126   3HG2  THR  17          3HG2      THR  17  -6.235   6.329  -2.501
  127    H    GLY  18           H        GLY  18  -8.707   2.990  -4.483
  128   1HA   GLY  18          2HA       GLY  18  -8.725   1.831  -1.930
  129   2HA   GLY  18          1HA       GLY  18  -9.960   1.616  -3.157
  130    H    SER  19           H        SER  19  -7.696   0.486  -4.951
  131    HA   SER  19           HA       SER  19  -8.215  -2.256  -4.323
  132   1HB   SER  19          2HB       SER  19  -6.229  -1.124  -6.303
  133   2HB   SER  19          1HB       SER  19  -6.983  -2.722  -6.335
  134    HG   SER  19           HG       SER  19  -7.991  -1.315  -7.765
  135    H    CYS  20           H        CYS  20  -5.592   0.008  -4.000
  136    HA   CYS  20           HA       CYS  20  -3.683  -1.880  -3.086
  137   1HB   CYS  20          2HB       CYS  20  -2.942   0.271  -4.041
  138   2HB   CYS  20          1HB       CYS  20  -3.823   1.124  -2.830
  139    H    ASP  21           H        ASP  21  -6.023   0.280  -1.597
  140    HA   ASP  21           HA       ASP  21  -5.274  -0.119   1.084
  141   1HB   ASP  21          2HB       ASP  21  -6.700   1.702   0.381
  142   2HB   ASP  21          1HB       ASP  21  -7.999   0.577  -0.057
  143    H    ASP  22           H        ASP  22  -7.617  -1.798  -0.958
  144    HA   ASP  22           HA       ASP  22  -8.583  -3.750   0.786
  145   1HB   ASP  22          2HB       ASP  22  -9.457  -3.580  -1.447
  146   2HB   ASP  22          1HB       ASP  22  -7.889  -3.940  -2.157
  147    H    HIS  23           H        HIS  23  -5.753  -3.850  -1.280
  148    HA   HIS  23           HA       HIS  23  -4.775  -6.351  -0.514
  149   1HB   HIS  23          2HB       HIS  23  -3.988  -5.306  -2.546
  150   2HB   HIS  23          1HB       HIS  23  -3.359  -3.934  -1.648
  151    HD1  HIS  23           1HD      HIS  23  -2.623  -7.557  -2.376
  152    HD2  HIS  23           2HD      HIS  23  -0.826  -4.269  -0.589
  153    HE1  HIS  23           1HE      HIS  23  -0.300  -8.263  -1.832
  154    HE2  HIS  23           2HE      HIS  23   0.610  -6.329  -0.457
  155    H    CYS  24           H        CYS  24  -3.837  -3.137   0.676
  156    HA   CYS  24           HA       CYS  24  -1.888  -4.110   2.439
  157   1HB   CYS  24          2HB       CYS  24  -3.409  -1.509   2.504
  158   2HB   CYS  24          1HB       CYS  24  -1.934  -1.841   3.398
  159    H    LYS  25           H        LYS  25  -5.357  -3.494   2.871
  160    HA   LYS  25           HA       LYS  25  -5.182  -3.853   5.685
  161   1HB   LYS  25          2HB       LYS  25  -7.097  -2.934   3.760
  162   2HB   LYS  25          1HB       LYS  25  -7.831  -4.011   4.932
  163   1HG   LYS  25          2HG       LYS  25  -6.117  -1.664   5.685
  164   2HG   LYS  25          1HG       LYS  25  -7.867  -1.565   5.505
  165   1HD   LYS  25          2HD       LYS  25  -8.142  -3.289   7.228
  166   2HD   LYS  25          1HD       LYS  25  -6.392  -3.409   7.391
  167   1HE   LYS  25          2HE       LYS  25  -7.403  -2.039   9.159
  168   2HE   LYS  25          1HE       LYS  25  -6.273  -1.122   8.165
  169   1HZ   LYS  25          1HZ       LYS  25  -8.161  -0.219   6.942
  170   2HZ   LYS  25          2HZ       LYS  25  -8.278   0.135   8.580
  171   3HZ   LYS  25          3HZ       LYS  25  -9.230  -1.086   7.913
  172    H    ASN  26           H        ASN  26  -6.633  -5.773   3.001
  173    HA   ASN  26           HA       ASN  26  -7.375  -7.747   4.900
  174   1HB   ASN  26          2HB       ASN  26  -8.890  -7.395   3.115
  175   2HB   ASN  26          1HB       ASN  26  -7.631  -7.611   1.907
  176   1HD2  ASN  26          1HD2      ASN  26  -7.105  -9.650   1.259
  177   2HD2  ASN  26          2HD2      ASN  26  -7.923 -11.065   1.795
  178    H    LYS  27           H        LYS  27  -4.794  -7.449   2.496
  179    HA   LYS  27           HA       LYS  27  -4.025 -10.172   3.123
  180   1HB   LYS  27          2HB       LYS  27  -3.957  -9.434   0.745
  181   2HB   LYS  27          1HB       LYS  27  -2.735  -8.256   1.179
  182   1HG   LYS  27          2HG       LYS  27  -1.731 -10.198   0.133
  183   2HG   LYS  27          1HG       LYS  27  -1.207 -10.055   1.809
  184   1HD   LYS  27          2HD       LYS  27  -2.807 -11.756   2.489
  185   2HD   LYS  27          1HD       LYS  27  -3.420 -11.861   0.837
  186   1HE   LYS  27          2HE       LYS  27  -0.607 -12.520   1.709
  187   2HE   LYS  27          1HE       LYS  27  -1.881 -13.704   1.437
  188   1HZ   LYS  27          1HZ       LYS  27  -1.975 -13.006  -0.885
  189   2HZ   LYS  27          2HZ       LYS  27  -0.427 -13.515  -0.477
  190   3HZ   LYS  27          3HZ       LYS  27  -0.756 -11.877  -0.624
  191    H    GLU  28           H        GLU  28  -2.567  -6.909   3.370
  192    HA   GLU  28           HA       GLU  28  -0.385  -8.192   4.771
  193   1HB   GLU  28          2HB       GLU  28  -0.558  -5.327   3.839
  194   2HB   GLU  28          1HB       GLU  28   0.869  -6.097   4.535
  195   1HG   GLU  28          2HG       GLU  28   0.613  -7.819   2.655
  196   2HG   GLU  28          1HG       GLU  28  -0.480  -6.675   1.935
  197    H    HIS  29           H        HIS  29  -3.201  -6.717   5.526
  198    HA   HIS  29           HA       HIS  29  -4.247  -6.178   7.414
  199   1HB   HIS  29          2HB       HIS  29  -3.238  -8.436   8.006
  200   2HB   HIS  29          1HB       HIS  29  -1.978  -7.563   8.862
  201    HD1  HIS  29           1HD      HIS  29  -2.424  -7.366  11.282
  202    HD2  HIS  29           2HD      HIS  29  -5.930  -7.656   9.093
  203    HE1  HIS  29           1HE      HIS  29  -4.271  -7.488  12.981
  204    HE2  HIS  29           2HE      HIS  29  -6.396  -7.630  11.614
  205    H    LEU  30           H        LEU  30  -2.561  -4.255   6.353
  206    HA   LEU  30           HA       LEU  30  -1.332  -2.926   8.644
  207   1HB   LEU  30          2HB       LEU  30  -1.145  -2.328   5.693
  208   2HB   LEU  30          1HB       LEU  30  -0.323  -1.417   6.944
  209    HG   LEU  30           HG       LEU  30   0.169  -4.335   6.302
  210   1HD1  LEU  30          1HD1      LEU  30   1.858  -1.901   5.772
  211   2HD1  LEU  30          2HD1      LEU  30   1.043  -2.907   4.569
  212   3HD1  LEU  30          3HD1      LEU  30   2.358  -3.575   5.535
  213   1HD2  LEU  30          1HD2      LEU  30   0.523  -3.894   8.663
  214   2HD2  LEU  30          2HD2      LEU  30   1.528  -2.500   8.270
  215   3HD2  LEU  30          3HD2      LEU  30   2.069  -4.124   7.846
  216    H    ARG  31           H        ARG  31  -1.566  -0.263   7.830
  217    HA   ARG  31           HA       ARG  31  -4.067   0.251   9.087
  218   1HB   ARG  31          2HB       ARG  31  -1.830   1.598   9.200
  219   2HB   ARG  31          1HB       ARG  31  -2.335   2.297   7.749
  220   1HG   ARG  31          2HG       ARG  31  -4.417   3.146   8.721
  221   2HG   ARG  31          1HG       ARG  31  -3.953   2.463  10.278
  222   1HD   ARG  31          2HD       ARG  31  -1.924   3.850  10.250
  223   2HD   ARG  31          1HD       ARG  31  -2.451   4.580   8.744
  224    HE   ARG  31           HE       ARG  31  -4.113   4.749  11.157
  225   1HH1  ARG  31          1HH1      ARG  31  -2.609   6.389   8.438
  226   2HH1  ARG  31          2HH1      ARG  31  -2.775   7.969   9.059
  227   1HH2  ARG  31          1HH2      ARG  31  -4.461   6.917  12.010
  228   2HH2  ARG  31          2HH2      ARG  31  -3.931   8.275  11.150
  229    H    SER  32           H        SER  32  -2.811   1.199   5.881
  230    HA   SER  32           HA       SER  32  -5.379   0.953   4.573
  231   1HB   SER  32          2HB       SER  32  -4.080   3.676   4.721
  232   2HB   SER  32          1HB       SER  32  -5.621   3.266   3.990
  233    HG   SER  32           HG       SER  32  -5.818   2.456   6.428
  234    H    GLY  33           H        GLY  33  -4.975   2.016   2.319
  235   1HA   GLY  33          2HA       GLY  33  -2.190   1.825   1.520
  236   2HA   GLY  33          1HA       GLY  33  -3.315   0.673   0.805
  237    H    ARG  34           H        ARG  34  -1.745   2.849  -0.371
  238    HA   ARG  34           HA       ARG  34  -3.926   4.077  -1.891
  239   1HB   ARG  34          2HB       ARG  34  -1.631   5.615  -0.688
  240   2HB   ARG  34          1HB       ARG  34  -2.562   6.193  -2.056
  241   1HG   ARG  34          2HG       ARG  34  -4.515   6.001  -0.785
  242   2HG   ARG  34          1HG       ARG  34  -3.603   5.635   0.709
  243   1HD   ARG  34          2HD       ARG  34  -3.654   8.166  -0.959
  244   2HD   ARG  34          1HD       ARG  34  -4.049   8.002   0.747
  245    HE   ARG  34           HE       ARG  34  -1.440   7.314   0.718
  246   1HH1  ARG  34          1HH1      ARG  34  -3.155  10.097  -0.617
  247   2HH1  ARG  34          2HH1      ARG  34  -1.816  11.136  -0.570
  248   1HH2  ARG  34          1HH2      ARG  34   0.397   8.688   0.753
  249   2HH2  ARG  34          2HH2      ARG  34   0.286  10.313   0.251
  250    H    CYS  35           H        CYS  35  -3.306   4.998  -3.759
  251    HA   CYS  35           HA       CYS  35  -1.260   3.308  -4.995
  252   1HB   CYS  35          2HB       CYS  35  -3.631   2.952  -5.628
  253   2HB   CYS  35          1HB       CYS  35  -3.669   4.580  -6.307
  254    H    ARG  36           H        ARG  36   0.493   4.419  -5.277
  255    HA   ARG  36           HA       ARG  36   0.362   7.250  -6.091
  256   1HB   ARG  36          2HB       ARG  36   2.443   5.891  -4.359
  257   2HB   ARG  36          1HB       ARG  36   2.493   7.556  -4.904
  258   1HG   ARG  36          2HG       ARG  36   0.557   8.087  -3.610
  259   2HG   ARG  36          1HG       ARG  36   0.343   6.407  -3.161
  260   1HD   ARG  36          2HD       ARG  36   1.410   7.831  -1.380
  261   2HD   ARG  36          1HD       ARG  36   2.300   6.383  -1.834
  262    HE   ARG  36           HE       ARG  36   3.397   8.307  -3.390
  263   1HH1  ARG  36          1HH1      ARG  36   2.830   8.125   0.114
  264   2HH1  ARG  36          2HH1      ARG  36   4.231   9.003   0.495
  265   1HH2  ARG  36          1HH2      ARG  36   5.316   9.417  -2.840
  266   2HH2  ARG  36          2HH2      ARG  36   5.690   9.761  -1.196
  267    H    ASP  37           H        ASP  37   2.673   7.772  -7.037
  268    HA   ASP  37           HA       ASP  37   4.209   7.514  -8.673
  269   1HB   ASP  37          2HB       ASP  37   4.071   4.629  -7.805
  270   2HB   ASP  37          1HB       ASP  37   5.179   5.198  -9.047
  271    H    ASP  38           H        ASP  38   1.227   6.867  -9.041
  272    HA   ASP  38           HA       ASP  38  -0.175   6.798 -10.740
  273   1HB   ASP  38          2HB       ASP  38   1.610   7.934 -12.108
  274   2HB   ASP  38          1HB       ASP  38   2.163   6.350 -12.626
  275    H    PHE  39           H        PHE  39   1.554   4.309  -9.608
  276    HA   PHE  39           HA       PHE  39  -0.304   2.434 -10.371
  277   1HB   PHE  39          2HB       PHE  39   1.174   0.844 -11.678
  278   2HB   PHE  39          1HB       PHE  39   0.586   2.222 -12.570
  279    HD1  PHE  39           1HD      PHE  39   2.163   3.898 -13.369
  280    HD2  PHE  39           2HD      PHE  39   3.502   0.639 -10.987
  281    HE1  PHE  39           1HE      PHE  39   4.488   4.406 -13.985
  282    HE2  PHE  39           2HE      PHE  39   5.830   1.144 -11.599
  283    HZ   PHE  39           HZ       PHE  39   6.321   3.027 -13.098
  284    H    ARG  40           H        ARG  40   1.607   3.258  -8.005
  285    HA   ARG  40           HA       ARG  40   2.351   0.497  -7.410
  286   1HB   ARG  40          2HB       ARG  40   3.853   2.936  -6.403
  287   2HB   ARG  40          1HB       ARG  40   4.250   1.252  -6.128
  288   1HG   ARG  40          2HG       ARG  40   4.506   0.978  -8.601
  289   2HG   ARG  40          1HG       ARG  40   4.373   2.728  -8.741
  290   1HD   ARG  40          2HD       ARG  40   6.683   2.188  -8.695
  291   2HD   ARG  40          1HD       ARG  40   6.289   2.888  -7.123
  292    HE   ARG  40           HE       ARG  40   5.999   0.082  -7.113
  293   1HH1  ARG  40          1HH1      ARG  40   8.410   2.643  -6.807
  294   2HH1  ARG  40          2HH1      ARG  40   9.596   1.651  -6.126
  295   1HH2  ARG  40          1HH2      ARG  40   7.582  -1.287  -6.136
  296   2HH2  ARG  40          2HH2      ARG  40   9.115  -0.668  -5.722
  297    H    CYS  41           H        CYS  41   2.009  -0.277  -5.392
  298    HA   CYS  41           HA       CYS  41  -0.130   1.029  -3.963
  299   1HB   CYS  41          2HB       CYS  41  -0.422  -1.174  -4.702
  300   2HB   CYS  41          1HB       CYS  41   1.025  -1.755  -3.883
  301    H    TRP  42           H        TRP  42   0.251   2.120  -2.257
  302    HA   TRP  42           HA       TRP  42   2.661   1.666  -0.663
  303   1HB   TRP  42          2HB       TRP  42   1.001   4.115  -1.199
  304   2HB   TRP  42          1HB       TRP  42   2.130   4.004   0.144
  305    HD1  TRP  42           HD       TRP  42   2.179   3.847  -3.736
  306    HE1  TRP  42           1HE      TRP  42   4.513   4.733  -4.505
  307    HE3  TRP  42           3HE      TRP  42   4.321   4.600   0.817
  308    HZ2  TRP  42           2HZ      TRP  42   6.846   5.607  -3.348
  309    HZ3  TRP  42           3HZ      TRP  42   6.543   5.480   0.945
  310    HH2  TRP  42           HH       TRP  42   7.844   5.992  -1.105
  311    H    CYS  43           H        CYS  43   2.213   0.669   1.177
  312    HA   CYS  43           HA       CYS  43  -0.477   0.773   2.291
  313   1HB   CYS  43          2HB       CYS  43   1.900  -0.934   3.032
  314   2HB   CYS  43          1HB       CYS  43   0.292  -1.049   3.730
  315    H    THR  44           H        THR  44  -0.900   1.891   4.140
  316    HA   THR  44           HA       THR  44   1.250   3.430   5.297
  317    HB   THR  44           HB       THR  44  -1.712   3.456   5.933
  318    HG1  THR  44           1HG      THR  44  -0.319   4.356   3.696
  319   1HG2  THR  44          1HG2      THR  44   0.452   5.572   6.117
  320   2HG2  THR  44          2HG2      THR  44  -0.204   4.665   7.478
  321   3HG2  THR  44          3HG2      THR  44  -1.234   5.783   6.586
  322    H    ARG  45           H        ARG  45   1.911   2.870   7.371
  323    HA   ARG  45           HA       ARG  45   0.337   0.889   8.831
  324   1HB   ARG  45          2HB       ARG  45   2.304  -0.483   9.226
  325   2HB   ARG  45          1HB       ARG  45   2.071  -0.301   7.495
  326   1HG   ARG  45          2HG       ARG  45   3.785   1.598   7.648
  327   2HG   ARG  45          1HG       ARG  45   4.160   0.954   9.245
  328   1HD   ARG  45          2HD       ARG  45   5.707  -0.018   7.744
  329   2HD   ARG  45          1HD       ARG  45   4.528  -1.276   8.121
  330    HE   ARG  45           HE       ARG  45   3.574  -0.047   5.873
  331   1HH1  ARG  45          1HH1      ARG  45   6.517  -1.809   6.740
  332   2HH1  ARG  45          2HH1      ARG  45   6.887  -2.268   5.156
  333   1HH2  ARG  45          1HH2      ARG  45   4.125  -0.733   3.585
  334   2HH2  ARG  45          2HH2      ARG  45   5.516  -1.674   3.378
  335    H    ASN  46           H        ASN  46   0.452   1.241  11.082
  336    HA   ASN  46           HA       ASN  46   1.550   3.616  11.983
  337   1HB   ASN  46          2HB       ASN  46   0.364   1.190  13.264
  338   2HB   ASN  46          1HB       ASN  46   1.126   2.469  14.193
  339   1HD2  ASN  46          1HD2      ASN  46  -1.649   1.538  12.326
  340   2HD2  ASN  46          2HD2      ASN  46  -2.600   2.935  12.682
  341    H    CYS  47           H        CYS  47   3.501   4.003  12.613
  342    HA   CYS  47           HA       CYS  47   5.276   1.786  13.196
  343   1HB   CYS  47          2HB       CYS  47   7.113   3.158  12.089
  344   2HB   CYS  47          1HB       CYS  47   5.913   2.488  10.988
  Start of MODEL    9
    1   1H    LYS   1          1HT       LYS   1   5.599  10.904  13.160
    2   2H    LYS   1          2HT       LYS   1   5.343  11.448  11.567
    3   3H    LYS   1          3HT       LYS   1   6.173  10.022  11.850
    4    HA   LYS   1           HA       LYS   1   4.308   8.935  12.660
    5   1HB   LYS   1          2HB       LYS   1   2.101   9.982  12.437
    6   2HB   LYS   1          1HB       LYS   1   3.055  10.629  13.742
    7   1HG   LYS   1          2HG       LYS   1   3.589  12.571  12.233
    8   2HG   LYS   1          1HG       LYS   1   2.530  11.848  11.024
    9   1HD   LYS   1          2HD       LYS   1   0.665  11.970  12.643
   10   2HD   LYS   1          1HD       LYS   1   1.735  12.796  13.773
   11   1HE   LYS   1          2HE       LYS   1   0.413  14.438  12.609
   12   2HE   LYS   1          1HE       LYS   1   2.086  14.563  12.075
   13   1HZ   LYS   1          1HZ       LYS   1   0.564  14.676  10.209
   14   2HZ   LYS   1          2HZ       LYS   1  -0.110  13.207  10.596
   15   3HZ   LYS   1          3HZ       LYS   1   1.497  13.289  10.076
   16    H    THR   2           H        THR   2   2.569   8.260  11.420
   17    HA   THR   2           HA       THR   2   2.155   6.915   9.662
   18    HB   THR   2           HB       THR   2   1.534   7.969   7.587
   19    HG1  THR   2           1HG      THR   2   2.823  10.073   8.681
   20   1HG2  THR   2          1HG2      THR   2  -0.494   9.064   8.514
   21   2HG2  THR   2          2HG2      THR   2   0.283   9.071  10.096
   22   3HG2  THR   2          3HG2      THR   2  -0.106   7.538   9.309
   23    H    CYS   3           H        CYS   3   3.214   5.582   8.749
   24    HA   CYS   3           HA       CYS   3   5.630   6.352   7.284
   25   1HB   CYS   3          2HB       CYS   3   5.164   3.894   9.003
   26   2HB   CYS   3          1HB       CYS   3   6.579   4.188   7.998
   27    H    GLU   4           H        GLU   4   5.694   5.604   5.239
   28    HA   GLU   4           HA       GLU   4   3.633   3.673   4.491
   29   1HB   GLU   4          2HB       GLU   4   2.985   6.093   4.104
   30   2HB   GLU   4          1HB       GLU   4   4.297   6.161   2.960
   31   1HG   GLU   4          2HG       GLU   4   3.275   4.647   1.519
   32   2HG   GLU   4          1HG       GLU   4   2.072   4.189   2.732
   33    H    ASN   5           H        ASN   5   4.406   2.132   3.285
   34    HA   ASN   5           HA       ASN   5   6.785   2.501   1.640
   35   1HB   ASN   5          2HB       ASN   5   6.496   0.411   3.830
   36   2HB   ASN   5          1HB       ASN   5   7.610   0.236   2.489
   37   1HD2  ASN   5          1HD2      ASN   5   8.512   2.977   2.428
   38   2HD2  ASN   5          2HD2      ASN   5   9.445   3.240   3.834
   39    H    LEU   6           H        LEU   6   7.089   0.607   0.265
   40    HA   LEU   6           HA       LEU   6   4.783   0.199  -1.179
   41   1HB   LEU   6          2HB       LEU   6   7.512  -0.906  -1.092
   42   2HB   LEU   6          1HB       LEU   6   6.331  -1.473  -2.244
   43    HG   LEU   6           HG       LEU   6   7.273   1.391  -2.019
   44   1HD1  LEU   6          1HD1      LEU   6   8.050  -0.756  -3.993
   45   2HD1  LEU   6          2HD1      LEU   6   9.088  -0.088  -2.734
   46   3HD1  LEU   6          3HD1      LEU   6   8.542   0.936  -4.061
   47   1HD2  LEU   6          1HD2      LEU   6   5.642  -0.044  -4.107
   48   2HD2  LEU   6          2HD2      LEU   6   6.188   1.628  -4.192
   49   3HD2  LEU   6          3HD2      LEU   6   5.035   1.150  -2.961
   50    H    ALA   7           H        ALA   7   3.439  -1.509  -1.328
   51    HA   ALA   7           HA       ALA   7   3.146  -3.364   0.748
   52   1HB   ALA   7          1HB       ALA   7   1.308  -2.747  -0.697
   53   2HB   ALA   7          2HB       ALA   7   1.605  -4.481  -0.863
   54   3HB   ALA   7          3HB       ALA   7   2.176  -3.354  -2.099
   55    H    ASN   8           H        ASN   8   4.267  -5.138   1.117
   56    HA   ASN   8           HA       ASN   8   6.477  -5.765  -0.608
   57   1HB   ASN   8          2HB       ASN   8   5.595  -7.032   1.980
   58   2HB   ASN   8          1HB       ASN   8   7.004  -7.558   1.068
   59   1HD2  ASN   8          1HD2      ASN   8   8.805  -6.196   0.965
   60   2HD2  ASN   8          2HD2      ASN   8   9.009  -4.895   2.085
   61    H    THR   9           H        THR   9   3.330  -6.989  -0.180
   62    HA   THR   9           HA       THR   9   4.157  -9.299  -1.750
   63    HB   THR   9           HB       THR   9   1.895 -10.312  -1.060
   64    HG1  THR   9           1HG      THR   9   1.997  -8.010   0.597
   65   1HG2  THR   9          1HG2      THR   9   2.765 -11.048   1.122
   66   2HG2  THR   9          2HG2      THR   9   3.971  -9.762   1.067
   67   3HG2  THR   9          3HG2      THR   9   4.021 -11.068  -0.116
   68    H    TYR  10           H        TYR  10   3.378  -6.494  -2.600
   69    HA   TYR  10           HA       TYR  10   1.576  -7.355  -4.768
   70   1HB   TYR  10          2HB       TYR  10   0.502  -5.672  -3.192
   71   2HB   TYR  10          1HB       TYR  10   1.804  -4.584  -3.608
   72    HD1  TYR  10           1HD      TYR  10  -1.360  -6.000  -4.745
   73    HD2  TYR  10           2HD      TYR  10   1.954  -3.570  -5.855
   74    HE1  TYR  10           1HE      TYR  10  -2.650  -5.094  -6.643
   75    HE2  TYR  10           2HE      TYR  10   0.680  -2.668  -7.742
   76    HH   TYR  10           HH       TYR  10  -1.229  -3.357  -9.160
   77    H    ARG  11           H        ARG  11   2.635  -7.342  -6.635
   78    HA   ARG  11           HA       ARG  11   4.896  -5.491  -6.939
   79   1HB   ARG  11          2HB       ARG  11   6.013  -7.142  -8.290
   80   2HB   ARG  11          1HB       ARG  11   5.550  -7.904  -6.778
   81   1HG   ARG  11          2HG       ARG  11   3.560  -8.864  -7.970
   82   2HG   ARG  11          1HG       ARG  11   4.230  -8.196  -9.454
   83   1HD   ARG  11          2HD       ARG  11   4.869 -10.499  -9.299
   84   2HD   ARG  11          1HD       ARG  11   6.296  -9.485  -9.066
   85    HE   ARG  11           HE       ARG  11   4.808 -10.613  -6.808
   86   1HH1  ARG  11          1HH1      ARG  11   7.887 -10.112  -8.488
   87   2HH1  ARG  11          2HH1      ARG  11   8.829 -10.894  -7.319
   88   1HH2  ARG  11          1HH2      ARG  11   6.116 -11.736  -5.193
   89   2HH2  ARG  11          2HH2      ARG  11   7.795 -11.876  -5.415
   90    H    GLY  12           H        GLY  12   5.355  -5.187  -9.366
   91   1HA   GLY  12          2HA       GLY  12   4.693  -4.713 -11.499
   92   2HA   GLY  12          1HA       GLY  12   3.144  -5.482 -11.164
   93    HA   PRO  13           HA       PRO  13   2.403  -0.931 -11.344
   94   1HB   PRO  13          2HB       PRO  13   0.241  -1.665 -13.182
   95   2HB   PRO  13          1HB       PRO  13   1.564  -0.521 -13.428
   96   1HG   PRO  13          2HG       PRO  13   1.468  -2.846 -14.759
   97   2HG   PRO  13          1HG       PRO  13   2.999  -2.133 -14.211
   98   1HD   PRO  13          2HD       PRO  13   1.379  -4.315 -12.926
   99   2HD   PRO  13          1HD       PRO  13   3.130  -4.266 -13.241
  100    H    CYS  14           H        CYS  14   0.895   0.048 -10.229
  101    HA   CYS  14           HA       CYS  14  -0.989  -1.465  -8.702
  102   1HB   CYS  14          2HB       CYS  14   0.207   0.280  -7.601
  103   2HB   CYS  14          1HB       CYS  14  -0.264   1.448  -8.826
  104    H    PHE  15           H        PHE  15  -3.061  -1.582  -9.047
  105    HA   PHE  15           HA       PHE  15  -4.077  -0.518 -11.515
  106   1HB   PHE  15          2HB       PHE  15  -5.484  -2.228  -9.461
  107   2HB   PHE  15          1HB       PHE  15  -6.032  -1.899 -11.102
  108    HD1  PHE  15           1HD      PHE  15  -4.094  -2.424 -12.921
  109    HD2  PHE  15           2HD      PHE  15  -4.547  -4.286  -9.132
  110    HE1  PHE  15           1HE      PHE  15  -2.835  -4.375 -13.734
  111    HE2  PHE  15           2HE      PHE  15  -3.288  -6.240  -9.933
  112    HZ   PHE  15           HZ       PHE  15  -2.430  -6.285 -12.234
  113    H    THR  16           H        THR  16  -5.217  -0.424  -8.098
  114    HA   THR  16           HA       THR  16  -5.911   2.361  -8.474
  115    HB   THR  16           HB       THR  16  -8.196   1.798  -7.330
  116    HG1  THR  16           1HG      THR  16  -7.909  -0.575  -8.791
  117   1HG2  THR  16          1HG2      THR  16  -7.774   1.250 -10.273
  118   2HG2  THR  16          2HG2      THR  16  -8.083   2.825  -9.543
  119   3HG2  THR  16          3HG2      THR  16  -9.332   1.586  -9.520
  120    H    THR  17           H        THR  17  -6.507   3.404  -6.404
  121    HA   THR  17           HA       THR  17  -5.001   2.564  -4.199
  122    HB   THR  17           HB       THR  17  -7.263   4.563  -4.505
  123    HG1  THR  17           1HG      THR  17  -5.587   5.430  -5.421
  124   1HG2  THR  17          1HG2      THR  17  -5.556   4.098  -2.034
  125   2HG2  THR  17          2HG2      THR  17  -7.289   3.849  -2.168
  126   3HG2  THR  17          3HG2      THR  17  -6.625   5.475  -2.288
  127    H    GLY  18           H        GLY  18  -8.300   2.060  -5.241
  128   1HA   GLY  18          2HA       GLY  18  -9.457   0.983  -2.946
  129   2HA   GLY  18          1HA       GLY  18  -9.931   0.584  -4.588
  130    H    SER  19           H        SER  19  -7.526  -0.717  -5.466
  131    HA   SER  19           HA       SER  19  -7.973  -3.212  -4.134
  132   1HB   SER  19          2HB       SER  19  -6.316  -4.018  -5.938
  133   2HB   SER  19          1HB       SER  19  -7.896  -3.441  -6.463
  134    HG   SER  19           HG       SER  19  -6.693  -2.355  -7.723
  135    H    CYS  20           H        CYS  20  -5.493  -0.820  -4.385
  136    HA   CYS  20           HA       CYS  20  -3.428  -2.234  -3.109
  137   1HB   CYS  20          2HB       CYS  20  -3.062  -0.029  -4.301
  138   2HB   CYS  20          1HB       CYS  20  -4.017   0.723  -3.085
  139    H    ASP  21           H        ASP  21  -5.959  -0.101  -1.841
  140    HA   ASP  21           HA       ASP  21  -5.304  -0.225   0.894
  141   1HB   ASP  21          2HB       ASP  21  -6.749   1.455  -0.068
  142   2HB   ASP  21          1HB       ASP  21  -7.983   0.245  -0.463
  143    H    ASP  22           H        ASP  22  -7.525  -2.118  -1.077
  144    HA   ASP  22           HA       ASP  22  -8.585  -3.903   0.781
  145   1HB   ASP  22          2HB       ASP  22  -9.388  -3.848  -1.499
  146   2HB   ASP  22          1HB       ASP  22  -7.804  -4.263  -2.121
  147    H    HIS  23           H        HIS  23  -5.720  -4.237  -1.207
  148    HA   HIS  23           HA       HIS  23  -4.776  -6.664  -0.209
  149   1HB   HIS  23          2HB       HIS  23  -3.988  -5.820  -2.315
  150   2HB   HIS  23          1HB       HIS  23  -3.374  -4.359  -1.563
  151    HD1  HIS  23           1HD      HIS  23  -2.581  -8.019  -1.966
  152    HD2  HIS  23           2HD      HIS  23  -0.852  -4.552  -0.475
  153    HE1  HIS  23           1HE      HIS  23  -0.216  -8.605  -1.498
  154    HE2  HIS  23           2HE      HIS  23   0.684  -6.567  -0.278
  155    H    CYS  24           H        CYS  24  -3.825  -3.355   0.685
  156    HA   CYS  24           HA       CYS  24  -1.896  -4.181   2.537
  157   1HB   CYS  24          2HB       CYS  24  -3.336  -1.554   2.254
  158   2HB   CYS  24          1HB       CYS  24  -1.979  -1.805   3.340
  159    H    LYS  25           H        LYS  25  -5.424  -3.543   3.003
  160    HA   LYS  25           HA       LYS  25  -5.150  -3.640   5.794
  161   1HB   LYS  25          2HB       LYS  25  -7.363  -3.586   3.826
  162   2HB   LYS  25          1HB       LYS  25  -7.657  -3.818   5.533
  163   1HG   LYS  25          2HG       LYS  25  -6.620  -1.665   6.011
  164   2HG   LYS  25          1HG       LYS  25  -6.235  -1.472   4.298
  165   1HD   LYS  25          2HD       LYS  25  -8.603  -1.506   3.754
  166   2HD   LYS  25          1HD       LYS  25  -8.998  -1.706   5.465
  167   1HE   LYS  25          2HE       LYS  25  -8.022   0.450   5.967
  168   2HE   LYS  25          1HE       LYS  25  -7.479   0.605   4.306
  169   1HZ   LYS  25          1HZ       LYS  25  -9.501   1.856   4.759
  170   2HZ   LYS  25          2HZ       LYS  25 -10.330   0.427   5.089
  171   3HZ   LYS  25          3HZ       LYS  25  -9.654   0.704   3.537
  172    H    ASN  26           H        ASN  26  -6.390  -5.888   3.276
  173    HA   ASN  26           HA       ASN  26  -7.095  -7.784   5.269
  174   1HB   ASN  26          2HB       ASN  26  -8.474  -7.678   3.338
  175   2HB   ASN  26          1HB       ASN  26  -7.099  -7.876   2.262
  176   1HD2  ASN  26          1HD2      ASN  26  -6.394  -9.889   1.789
  177   2HD2  ASN  26          2HD2      ASN  26  -7.151 -11.326   2.348
  178    H    LYS  27           H        LYS  27  -4.464  -7.599   2.894
  179    HA   LYS  27           HA       LYS  27  -3.462 -10.132   3.890
  180   1HB   LYS  27          2HB       LYS  27  -3.440  -9.968   1.501
  181   2HB   LYS  27          1HB       LYS  27  -2.636  -8.413   1.556
  182   1HG   LYS  27          2HG       LYS  27  -1.121 -10.175   0.806
  183   2HG   LYS  27          1HG       LYS  27  -0.578  -9.471   2.321
  184   1HD   LYS  27          2HD       LYS  27  -0.275 -11.874   2.390
  185   2HD   LYS  27          1HD       LYS  27  -1.536 -11.414   3.524
  186   1HE   LYS  27          2HE       LYS  27  -3.242 -12.123   1.929
  187   2HE   LYS  27          1HE       LYS  27  -1.996 -12.531   0.753
  188   1HZ   LYS  27          1HZ       LYS  27  -1.168 -14.227   2.266
  189   2HZ   LYS  27          2HZ       LYS  27  -2.822 -14.473   1.992
  190   3HZ   LYS  27          3HZ       LYS  27  -2.313 -13.792   3.423
  191    H    GLU  28           H        GLU  28  -2.299  -6.756   3.682
  192    HA   GLU  28           HA       GLU  28  -0.005  -7.694   5.184
  193   1HB   GLU  28          2HB       GLU  28  -0.357  -5.013   3.834
  194   2HB   GLU  28          1HB       GLU  28   1.122  -5.558   4.630
  195   1HG   GLU  28          2HG       GLU  28   0.947  -7.600   3.057
  196   2HG   GLU  28          1HG       GLU  28  -0.187  -6.640   2.164
  197    H    HIS  29           H        HIS  29  -2.888  -6.443   5.844
  198    HA   HIS  29           HA       HIS  29  -3.950  -5.779   7.684
  199   1HB   HIS  29          2HB       HIS  29  -1.544  -7.024   9.023
  200   2HB   HIS  29          1HB       HIS  29  -2.970  -6.488   9.903
  201    HD1  HIS  29           1HD      HIS  29  -1.625  -9.321   8.006
  202    HD2  HIS  29           2HD      HIS  29  -5.351  -7.978   9.214
  203    HE1  HIS  29           1HE      HIS  29  -3.165 -11.287   7.751
  204    HE2  HIS  29           2HE      HIS  29  -5.352 -10.508   8.669
  205    H    LEU  30           H        LEU  30  -2.371  -3.785   6.446
  206    HA   LEU  30           HA       LEU  30  -1.474  -2.213   8.732
  207   1HB   LEU  30          2HB       LEU  30  -0.941  -1.786   5.796
  208   2HB   LEU  30          1HB       LEU  30  -0.350  -0.749   7.077
  209    HG   LEU  30           HG       LEU  30   0.420  -3.637   6.631
  210   1HD1  LEU  30          1HD1      LEU  30   1.998  -1.098   6.351
  211   2HD1  LEU  30          2HD1      LEU  30   1.505  -2.199   5.059
  212   3HD1  LEU  30          3HD1      LEU  30   2.663  -2.727   6.272
  213   1HD2  LEU  30          1HD2      LEU  30   2.009  -3.310   8.478
  214   2HD2  LEU  30          2HD2      LEU  30   0.337  -3.215   9.006
  215   3HD2  LEU  30          3HD2      LEU  30   1.284  -1.736   8.812
  216    H    ARG  31           H        ARG  31  -1.737   0.340   7.787
  217    HA   ARG  31           HA       ARG  31  -4.299   0.943   8.768
  218   1HB   ARG  31          2HB       ARG  31  -2.163   2.435   8.720
  219   2HB   ARG  31          1HB       ARG  31  -2.599   2.741   7.103
  220   1HG   ARG  31          2HG       ARG  31  -3.404   4.586   8.317
  221   2HG   ARG  31          1HG       ARG  31  -4.796   3.651   7.787
  222   1HD   ARG  31          2HD       ARG  31  -3.554   3.581  10.523
  223   2HD   ARG  31          1HD       ARG  31  -5.004   4.484  10.128
  224    HE   ARG  31           HE       ARG  31  -4.732   1.568  10.283
  225   1HH1  ARG  31          1HH1      ARG  31  -6.883   4.396  10.078
  226   2HH1  ARG  31          2HH1      ARG  31  -8.279   3.499  10.427
  227   1HH2  ARG  31          1HH2      ARG  31  -6.660   0.383  10.742
  228   2HH2  ARG  31          2HH2      ARG  31  -8.154   1.169  10.841
  229    H    SER  32           H        SER  32  -2.971   1.495   5.547
  230    HA   SER  32           HA       SER  32  -5.456   0.971   4.177
  231   1HB   SER  32          2HB       SER  32  -4.251   3.741   4.021
  232   2HB   SER  32          1HB       SER  32  -5.773   3.170   3.360
  233    HG   SER  32           HG       SER  32  -6.110   2.750   5.850
  234    H    GLY  33           H        GLY  33  -4.921   1.746   1.832
  235   1HA   GLY  33          2HA       GLY  33  -2.073   1.589   1.303
  236   2HA   GLY  33          1HA       GLY  33  -3.116   0.399   0.528
  237    H    ARG  34           H        ARG  34  -1.514   2.715  -0.478
  238    HA   ARG  34           HA       ARG  34  -3.666   3.856  -2.079
  239   1HB   ARG  34          2HB       ARG  34  -1.661   5.455  -0.540
  240   2HB   ARG  34          1HB       ARG  34  -2.376   6.073  -2.025
  241   1HG   ARG  34          2HG       ARG  34  -4.521   5.924  -1.137
  242   2HG   ARG  34          1HG       ARG  34  -3.963   5.154   0.355
  243   1HD   ARG  34          2HD       ARG  34  -3.276   7.954  -0.583
  244   2HD   ARG  34          1HD       ARG  34  -4.398   7.558   0.714
  245    HE   ARG  34           HE       ARG  34  -1.604   6.701   0.901
  246   1HH1  ARG  34          1HH1      ARG  34  -4.194   8.763   2.122
  247   2HH1  ARG  34          2HH1      ARG  34  -3.379   9.200   3.539
  248   1HH2  ARG  34          1HH2      ARG  34  -0.488   7.266   2.792
  249   2HH2  ARG  34          2HH2      ARG  34  -1.166   8.345   3.944
  250    H    CYS  35           H        CYS  35  -3.329   4.597  -3.903
  251    HA   CYS  35           HA       CYS  35  -1.058   3.336  -5.235
  252   1HB   CYS  35          2HB       CYS  35  -3.507   2.928  -5.783
  253   2HB   CYS  35          1HB       CYS  35  -3.512   4.542  -6.476
  254    H    ARG  36           H        ARG  36   0.565   4.653  -5.728
  255    HA   ARG  36           HA       ARG  36   0.053   7.532  -5.745
  256   1HB   ARG  36          2HB       ARG  36   2.663   6.068  -5.399
  257   2HB   ARG  36          1HB       ARG  36   2.445   7.807  -5.303
  258   1HG   ARG  36          2HG       ARG  36   0.906   7.446  -3.377
  259   2HG   ARG  36          1HG       ARG  36   1.307   5.737  -3.452
  260   1HD   ARG  36          2HD       ARG  36   2.630   6.865  -1.773
  261   2HD   ARG  36          1HD       ARG  36   3.672   6.243  -3.036
  262    HE   ARG  36           HE       ARG  36   2.842   9.040  -2.695
  263   1HH1  ARG  36          1HH1      ARG  36   5.081   6.800  -4.282
  264   2HH1  ARG  36          2HH1      ARG  36   6.357   7.917  -4.326
  265   1HH2  ARG  36          1HH2      ARG  36   4.607  10.581  -2.828
  266   2HH2  ARG  36          2HH2      ARG  36   6.098  10.091  -3.522
  267    H    ASP  37           H        ASP  37   2.219   8.495  -7.075
  268    HA   ASP  37           HA       ASP  37   1.312   8.150  -9.807
  269   1HB   ASP  37          2HB       ASP  37   3.593   9.863  -8.793
  270   2HB   ASP  37          1HB       ASP  37   2.961   9.880 -10.429
  271    H    ASP  38           H        ASP  38   3.736   6.776  -7.930
  272    HA   ASP  38           HA       ASP  38   5.417   5.955 -10.118
  273   1HB   ASP  38          2HB       ASP  38   6.578   4.591  -8.395
  274   2HB   ASP  38          1HB       ASP  38   6.439   6.282  -7.929
  275    H    PHE  39           H        PHE  39   2.465   5.164  -9.090
  276    HA   PHE  39           HA       PHE  39   1.045   3.508  -9.222
  277   1HB   PHE  39          2HB       PHE  39   2.530   3.060 -11.800
  278   2HB   PHE  39          1HB       PHE  39   1.136   2.105 -11.343
  279    HD1  PHE  39           1HD      PHE  39   2.271   5.369 -12.434
  280    HD2  PHE  39           2HD      PHE  39  -1.069   3.091 -11.153
  281    HE1  PHE  39           1HE      PHE  39   0.763   7.110 -13.294
  282    HE2  PHE  39           2HE      PHE  39  -2.593   4.823 -12.006
  283    HZ   PHE  39           HZ       PHE  39  -1.677   6.839 -13.078
  284    H    ARG  40           H        ARG  40   2.633   2.857  -7.367
  285    HA   ARG  40           HA       ARG  40   2.416  -0.018  -7.575
  286   1HB   ARG  40          2HB       ARG  40   4.635   1.495  -6.176
  287   2HB   ARG  40          1HB       ARG  40   4.319  -0.216  -5.954
  288   1HG   ARG  40          2HG       ARG  40   4.701  -0.505  -8.412
  289   2HG   ARG  40          1HG       ARG  40   5.248   1.172  -8.447
  290   1HD   ARG  40          2HD       ARG  40   7.143  -0.328  -8.255
  291   2HD   ARG  40          1HD       ARG  40   6.968   0.623  -6.780
  292    HE   ARG  40           HE       ARG  40   5.585  -1.637  -6.228
  293   1HH1  ARG  40          1HH1      ARG  40   8.891  -1.036  -7.316
  294   2HH1  ARG  40          2HH1      ARG  40   9.537  -2.447  -6.612
  295   1HH2  ARG  40          1HH2      ARG  40   6.474  -3.603  -5.247
  296   2HH2  ARG  40          2HH2      ARG  40   8.129  -3.919  -5.408
  297    H    CYS  41           H        CYS  41   2.039  -0.965  -5.401
  298    HA   CYS  41           HA       CYS  41   0.118   0.681  -4.055
  299   1HB   CYS  41          2HB       CYS  41  -0.434  -1.577  -4.610
  300   2HB   CYS  41          1HB       CYS  41   0.944  -2.203  -3.706
  301    H    TRP  42           H        TRP  42   0.577   1.813  -2.367
  302    HA   TRP  42           HA       TRP  42   2.919   1.167  -0.736
  303   1HB   TRP  42          2HB       TRP  42   1.435   3.741  -1.260
  304   2HB   TRP  42          1HB       TRP  42   2.600   3.548   0.036
  305    HD1  TRP  42           HD       TRP  42   2.498   3.327  -3.837
  306    HE1  TRP  42           1HE      TRP  42   4.776   4.106  -4.727
  307    HE3  TRP  42           3HE      TRP  42   4.874   4.036   0.632
  308    HZ2  TRP  42           2HZ      TRP  42   7.260   4.926  -3.640
  309    HZ3  TRP  42           3HZ      TRP  42   7.142   4.819   0.644
  310    HH2  TRP  42           HH       TRP  42   8.358   5.260  -1.441
  311    H    CYS  43           H        CYS  43   2.422   0.445   1.238
  312    HA   CYS  43           HA       CYS  43  -0.336   0.642   2.138
  313   1HB   CYS  43          2HB       CYS  43   1.983  -0.974   3.218
  314   2HB   CYS  43          1HB       CYS  43   0.335  -1.003   3.837
  315    H    THR  44           H        THR  44  -0.873   1.960   3.783
  316    HA   THR  44           HA       THR  44   1.145   3.732   4.824
  317    HB   THR  44           HB       THR  44  -1.859   3.643   5.206
  318    HG1  THR  44           1HG      THR  44  -0.389   5.061   3.178
  319   1HG2  THR  44          1HG2      THR  44   0.145   5.896   5.533
  320   2HG2  THR  44          2HG2      THR  44  -0.717   5.054   6.831
  321   3HG2  THR  44          3HG2      THR  44  -1.606   6.059   5.696
  322    H    ARG  45           H        ARG  45   1.859   3.381   6.939
  323    HA   ARG  45           HA       ARG  45   0.004   1.962   8.630
  324   1HB   ARG  45          2HB       ARG  45   1.813   0.715   9.758
  325   2HB   ARG  45          1HB       ARG  45   1.639   0.281   8.073
  326   1HG   ARG  45          2HG       ARG  45   3.623   1.645   7.542
  327   2HG   ARG  45          1HG       ARG  45   3.794   2.019   9.262
  328   1HD   ARG  45          2HD       ARG  45   4.031  -0.354   9.776
  329   2HD   ARG  45          1HD       ARG  45   3.814  -0.756   8.078
  330    HE   ARG  45           HE       ARG  45   6.023   1.018   8.640
  331   1HH1  ARG  45          1HH1      ARG  45   5.052  -2.382   8.355
  332   2HH1  ARG  45          2HH1      ARG  45   6.616  -2.914   7.960
  333   1HH2  ARG  45          1HH2      ARG  45   8.149   0.250   8.135
  334   2HH2  ARG  45          2HH2      ARG  45   8.405  -1.413   7.841
  335    H    ASN  46           H        ASN  46  -0.093   2.573  10.751
  336    HA   ASN  46           HA       ASN  46   0.760   5.222  11.214
  337   1HB   ASN  46          2HB       ASN  46  -0.979   3.198  12.514
  338   2HB   ASN  46          1HB       ASN  46  -0.318   4.508  13.475
  339   1HD2  ASN  46          1HD2      ASN  46  -1.060   5.080  10.110
  340   2HD2  ASN  46          2HD2      ASN  46  -2.474   6.032  10.372
  341    H    CYS  47           H        CYS  47   2.425   5.806  12.346
  342    HA   CYS  47           HA       CYS  47   3.783   3.926  14.050
  343   1HB   CYS  47          2HB       CYS  47   5.977   4.950  13.184
  344   2HB   CYS  47          1HB       CYS  47   5.159   3.843  12.086
  Start of MODEL   10
    1   1H    LYS   1          1HT       LYS   1   3.952   6.454  14.878
    2   2H    LYS   1          2HT       LYS   1   2.359   6.928  14.994
    3   3H    LYS   1          3HT       LYS   1   3.545   7.904  15.701
    4    HA   LYS   1           HA       LYS   1   2.740   8.862  13.636
    5   1HB   LYS   1          2HB       LYS   1   5.386   7.487  13.000
    6   2HB   LYS   1          1HB       LYS   1   4.773   8.945  12.255
    7   1HG   LYS   1          2HG       LYS   1   6.430   9.736  13.684
    8   2HG   LYS   1          1HG       LYS   1   4.962   9.970  14.632
    9   1HD   LYS   1          2HD       LYS   1   5.424   7.756  15.716
   10   2HD   LYS   1          1HD       LYS   1   6.951   7.732  14.850
   11   1HE   LYS   1          2HE       LYS   1   7.701   9.725  15.985
   12   2HE   LYS   1          1HE       LYS   1   6.138   9.889  16.791
   13   1HZ   LYS   1          1HZ       LYS   1   8.083   7.674  17.163
   14   2HZ   LYS   1          2HZ       LYS   1   6.557   7.728  17.851
   15   3HZ   LYS   1          3HZ       LYS   1   7.714   8.872  18.294
   16    H    THR   2           H        THR   2   3.204   8.325  11.109
   17    HA   THR   2           HA       THR   2   2.238   5.609  10.695
   18    HB   THR   2           HB       THR   2   1.209   6.521   8.557
   19    HG1  THR   2           1HG      THR   2   2.286   8.731   9.308
   20   1HG2  THR   2          1HG2      THR   2   0.023   7.286  11.223
   21   2HG2  THR   2          2HG2      THR   2  -0.153   5.739  10.397
   22   3HG2  THR   2          3HG2      THR   2  -0.879   7.190   9.712
   23    H    CYS   3           H        CYS   3   3.274   4.436   9.319
   24    HA   CYS   3           HA       CYS   3   5.499   5.670   7.851
   25   1HB   CYS   3          2HB       CYS   3   5.412   2.975   9.239
   26   2HB   CYS   3          1HB       CYS   3   6.734   3.571   8.242
   27    H    GLU   4           H        GLU   4   5.536   5.196   5.709
   28    HA   GLU   4           HA       GLU   4   3.516   3.272   4.803
   29   1HB   GLU   4          2HB       GLU   4   3.076   5.751   4.402
   30   2HB   GLU   4          1HB       GLU   4   4.457   5.707   3.340
   31   1HG   GLU   4          2HG       GLU   4   3.436   4.320   1.828
   32   2HG   GLU   4          1HG       GLU   4   2.129   3.885   2.932
   33    H    ASN   5           H        ASN   5   4.105   1.811   3.340
   34    HA   ASN   5           HA       ASN   5   6.739   1.951   2.060
   35   1HB   ASN   5          2HB       ASN   5   5.777  -0.404   3.711
   36   2HB   ASN   5          1HB       ASN   5   7.175  -0.418   2.656
   37   1HD2  ASN   5          1HD2      ASN   5   9.007   0.715   3.262
   38   2HD2  ASN   5          2HD2      ASN   5   9.262   1.190   4.902
   39    H    LEU   6           H        LEU   6   6.937   0.163   0.508
   40    HA   LEU   6           HA       LEU   6   4.652   0.212  -1.139
   41   1HB   LEU   6          2HB       LEU   6   7.337  -0.973  -1.139
   42   2HB   LEU   6          1HB       LEU   6   6.189  -1.320  -2.407
   43    HG   LEU   6           HG       LEU   6   7.214   1.441  -1.709
   44   1HD1  LEU   6          1HD1      LEU   6   9.003  -0.048  -2.552
   45   2HD1  LEU   6          2HD1      LEU   6   8.617   1.247  -3.674
   46   3HD1  LEU   6          3HD1      LEU   6   8.020  -0.386  -3.981
   47   1HD2  LEU   6          1HD2      LEU   6   6.248   2.044  -3.864
   48   2HD2  LEU   6          2HD2      LEU   6   5.019   1.391  -2.787
   49   3HD2  LEU   6          3HD2      LEU   6   5.685   0.387  -4.076
   50    H    ALA   7           H        ALA   7   3.311  -1.464  -1.589
   51    HA   ALA   7           HA       ALA   7   2.899  -3.522   0.262
   52   1HB   ALA   7          1HB       ALA   7   1.324  -4.392  -1.411
   53   2HB   ALA   7          2HB       ALA   7   1.974  -3.245  -2.590
   54   3HB   ALA   7          3HB       ALA   7   1.131  -2.658  -1.160
   55    H    ASN   8           H        ASN   8   3.544  -5.588   0.297
   56    HA   ASN   8           HA       ASN   8   5.989  -6.181  -1.130
   57   1HB   ASN   8          2HB       ASN   8   4.458  -7.841   0.880
   58   2HB   ASN   8          1HB       ASN   8   6.077  -8.165   0.288
   59   1HD2  ASN   8          1HD2      ASN   8   4.113  -6.197   2.317
   60   2HD2  ASN   8          2HD2      ASN   8   5.375  -5.460   3.223
   61    H    THR   9           H        THR   9   2.704  -7.392  -0.872
   62    HA   THR   9           HA       THR   9   3.348  -9.608  -2.600
   63    HB   THR   9           HB       THR   9   0.692  -8.938  -1.308
   64    HG1  THR   9           1HG      THR   9   3.072  -9.837  -0.313
   65   1HG2  THR   9          1HG2      THR   9   0.593 -10.667  -3.074
   66   2HG2  THR   9          2HG2      THR   9   0.284 -11.362  -1.483
   67   3HG2  THR   9          3HG2      THR   9   1.861 -11.572  -2.248
   68    H    TYR  10           H        TYR  10   2.376  -6.613  -2.969
   69    HA   TYR  10           HA       TYR  10   0.602  -7.056  -5.272
   70   1HB   TYR  10          2HB       TYR  10   0.153  -5.203  -3.622
   71   2HB   TYR  10          1HB       TYR  10   1.587  -4.391  -4.243
   72    HD1  TYR  10           1HD      TYR  10   1.558  -3.425  -6.529
   73    HD2  TYR  10           2HD      TYR  10  -1.903  -5.225  -4.829
   74    HE1  TYR  10           1HE      TYR  10   0.158  -2.339  -8.235
   75    HE2  TYR  10           2HE      TYR  10  -3.310  -4.147  -6.535
   76    HH   TYR  10           HH       TYR  10  -2.017  -2.683  -9.297
   77    H    ARG  11           H        ARG  11   1.672  -7.713  -6.953
   78    HA   ARG  11           HA       ARG  11   4.221  -6.411  -7.633
   79   1HB   ARG  11          2HB       ARG  11   3.906  -9.022  -7.264
   80   2HB   ARG  11          1HB       ARG  11   3.249  -8.966  -8.886
   81   1HG   ARG  11          2HG       ARG  11   6.039  -8.133  -8.073
   82   2HG   ARG  11          1HG       ARG  11   5.599  -9.643  -8.857
   83   1HD   ARG  11          2HD       ARG  11   4.847  -8.353 -10.827
   84   2HD   ARG  11          1HD       ARG  11   5.346  -6.865 -10.017
   85    HE   ARG  11           HE       ARG  11   7.292  -9.001 -10.484
   86   1HH1  ARG  11          1HH1      ARG  11   6.296  -5.642 -11.098
   87   2HH1  ARG  11          2HH1      ARG  11   7.685  -5.262 -11.996
   88   1HH2  ARG  11          1HH2      ARG  11   9.188  -8.434 -11.725
   89   2HH2  ARG  11          2HH2      ARG  11   9.348  -6.852 -12.356
   90    H    GLY  12           H        GLY  12   4.091  -5.001  -9.294
   91   1HA   GLY  12          2HA       GLY  12   3.498  -4.810 -11.650
   92   2HA   GLY  12          1HA       GLY  12   1.888  -5.356 -11.193
   93    HA   PRO  13           HA       PRO  13   2.016  -0.743 -10.942
   94   1HB   PRO  13          2HB       PRO  13   0.106  -0.573 -13.081
   95   2HB   PRO  13          1HB       PRO  13   1.770   0.005 -13.052
   96   1HG   PRO  13          2HG       PRO  13   0.894  -2.066 -14.627
   97   2HG   PRO  13          1HG       PRO  13   2.570  -1.854 -14.089
   98   1HD   PRO  13          2HD       PRO  13   0.432  -3.634 -12.973
   99   2HD   PRO  13          1HD       PRO  13   2.160  -3.972 -13.220
  100    H    CYS  14           H        CYS  14   0.504   0.535 -10.123
  101    HA   CYS  14           HA       CYS  14  -2.041  -0.626  -9.291
  102   1HB   CYS  14          2HB       CYS  14  -0.627   0.043  -7.442
  103   2HB   CYS  14          1HB       CYS  14  -0.329   1.609  -8.187
  104    H    PHE  15           H        PHE  15  -3.897   0.487  -9.807
  105    HA   PHE  15           HA       PHE  15  -3.495   2.823 -11.533
  106   1HB   PHE  15          2HB       PHE  15  -5.699   0.753 -11.710
  107   2HB   PHE  15          1HB       PHE  15  -5.517   2.153 -12.752
  108    HD1  PHE  15           1HD      PHE  15  -3.553   2.279 -14.295
  109    HD2  PHE  15           2HD      PHE  15  -4.508  -1.251 -12.108
  110    HE1  PHE  15           1HE      PHE  15  -2.156   0.953 -15.826
  111    HE2  PHE  15           2HE      PHE  15  -3.111  -2.580 -13.635
  112    HZ   PHE  15           HZ       PHE  15  -1.932  -1.479 -15.495
  113    H    THR  16           H        THR  16  -5.079   1.567  -8.718
  114    HA   THR  16           HA       THR  16  -6.245   4.140  -8.204
  115    HB   THR  16           HB       THR  16  -8.003   1.674  -8.475
  116    HG1  THR  16           1HG      THR  16  -7.214   3.578 -10.136
  117   1HG2  THR  16          1HG2      THR  16  -9.864   3.243  -8.017
  118   2HG2  THR  16          2HG2      THR  16  -8.683   4.506  -7.651
  119   3HG2  THR  16          3HG2      THR  16  -8.782   3.061  -6.644
  120    H    THR  17           H        THR  17  -6.452   4.562  -6.041
  121    HA   THR  17           HA       THR  17  -5.013   3.236  -4.130
  122    HB   THR  17           HB       THR  17  -7.190   5.294  -3.980
  123    HG1  THR  17           1HG      THR  17  -5.587   6.601  -4.184
  124   1HG2  THR  17          1HG2      THR  17  -5.564   4.243  -1.632
  125   2HG2  THR  17          2HG2      THR  17  -7.311   4.155  -1.822
  126   3HG2  THR  17          3HG2      THR  17  -6.531   5.717  -1.615
  127    H    GLY  18           H        GLY  18  -8.468   2.867  -4.791
  128   1HA   GLY  18          2HA       GLY  18  -9.222   1.365  -2.586
  129   2HA   GLY  18          1HA       GLY  18  -9.958   1.240  -4.174
  130    H    SER  19           H        SER  19  -7.493   0.280  -5.465
  131    HA   SER  19           HA       SER  19  -7.902  -2.511  -4.938
  132   1HB   SER  19          2HB       SER  19  -5.798  -1.212  -6.677
  133   2HB   SER  19          1HB       SER  19  -6.457  -2.842  -6.828
  134    HG   SER  19           HG       SER  19  -8.512  -1.797  -7.205
  135    H    CYS  20           H        CYS  20  -5.708  -0.049  -4.065
  136    HA   CYS  20           HA       CYS  20  -3.588  -1.793  -3.206
  137   1HB   CYS  20          2HB       CYS  20  -3.111   0.501  -4.146
  138   2HB   CYS  20          1HB       CYS  20  -4.013   1.175  -2.841
  139    H    ASP  21           H        ASP  21  -5.999   0.353  -1.742
  140    HA   ASP  21           HA       ASP  21  -5.296   0.049   0.942
  141   1HB   ASP  21          2HB       ASP  21  -6.660   1.832   0.254
  142   2HB   ASP  21          1HB       ASP  21  -7.967   0.761  -0.309
  143    H    ASP  22           H        ASP  22  -7.797  -1.690  -0.894
  144    HA   ASP  22           HA       ASP  22  -8.646  -3.315   1.240
  145   1HB   ASP  22          2HB       ASP  22  -9.847  -3.134  -0.991
  146   2HB   ASP  22          1HB       ASP  22  -8.567  -4.105  -1.673
  147    H    HIS  23           H        HIS  23  -6.155  -3.703  -1.140
  148    HA   HIS  23           HA       HIS  23  -5.316  -6.315  -0.525
  149   1HB   HIS  23          2HB       HIS  23  -4.665  -5.353  -2.608
  150   2HB   HIS  23          1HB       HIS  23  -3.915  -3.975  -1.822
  151    HD1  HIS  23           1HD      HIS  23  -3.350  -7.588  -2.626
  152    HD2  HIS  23           2HD      HIS  23  -1.314  -4.379  -0.985
  153    HE1  HIS  23           1HE      HIS  23  -0.992  -8.335  -2.447
  154    HE2  HIS  23           2HE      HIS  23   0.122  -6.459  -1.118
  155    H    CYS  24           H        CYS  24  -4.053  -3.194   0.559
  156    HA   CYS  24           HA       CYS  24  -2.029  -4.237   2.149
  157   1HB   CYS  24          2HB       CYS  24  -3.478  -1.603   2.262
  158   2HB   CYS  24          1HB       CYS  24  -2.037  -1.938   3.204
  159    H    LYS  25           H        LYS  25  -5.466  -3.568   2.901
  160    HA   LYS  25           HA       LYS  25  -5.154  -3.954   5.664
  161   1HB   LYS  25          2HB       LYS  25  -7.395  -3.771   3.719
  162   2HB   LYS  25          1HB       LYS  25  -7.648  -4.087   5.416
  163   1HG   LYS  25          2HG       LYS  25  -6.626  -1.958   5.985
  164   2HG   LYS  25          1HG       LYS  25  -6.247  -1.690   4.284
  165   1HD   LYS  25          2HD       LYS  25  -8.580  -1.620   3.713
  166   2HD   LYS  25          1HD       LYS  25  -9.030  -2.038   5.367
  167   1HE   LYS  25          2HE       LYS  25  -8.233   0.029   6.193
  168   2HE   LYS  25          1HE       LYS  25  -7.461   0.417   4.655
  169   1HZ   LYS  25          1HZ       LYS  25  -9.546   1.592   4.976
  170   2HZ   LYS  25          2HZ       LYS  25 -10.399   0.119   5.000
  171   3HZ   LYS  25          3HZ       LYS  25  -9.516   0.593   3.627
  172    H    ASN  26           H        ASN  26  -6.665  -5.843   3.018
  173    HA   ASN  26           HA       ASN  26  -7.464  -7.990   4.605
  174   1HB   ASN  26          2HB       ASN  26  -8.545  -7.375   2.551
  175   2HB   ASN  26          1HB       ASN  26  -7.064  -7.636   1.648
  176   1HD2  ASN  26          1HD2      ASN  26  -7.813  -9.140   0.314
  177   2HD2  ASN  26          2HD2      ASN  26  -8.315 -10.703   0.824
  178    H    LYS  27           H        LYS  27  -4.784  -7.648   2.271
  179    HA   LYS  27           HA       LYS  27  -3.985 -10.353   2.944
  180   1HB   LYS  27          2HB       LYS  27  -4.277  -9.548   0.568
  181   2HB   LYS  27          1HB       LYS  27  -2.841  -8.579   0.804
  182   1HG   LYS  27          2HG       LYS  27  -2.390 -10.686  -0.378
  183   2HG   LYS  27          1HG       LYS  27  -1.505 -10.568   1.147
  184   1HD   LYS  27          2HD       LYS  27  -3.001 -12.054   2.239
  185   2HD   LYS  27          1HD       LYS  27  -4.155 -11.983   0.912
  186   1HE   LYS  27          2HE       LYS  27  -1.375 -13.112   0.685
  187   2HE   LYS  27          1HE       LYS  27  -2.806 -14.077   1.041
  188   1HZ   LYS  27          1HZ       LYS  27  -2.309 -14.173  -1.280
  189   2HZ   LYS  27          2HZ       LYS  27  -2.337 -12.508  -1.460
  190   3HZ   LYS  27          3HZ       LYS  27  -3.750 -13.345  -1.087
  191    H    GLU  28           H        GLU  28  -2.658  -7.055   3.001
  192    HA   GLU  28           HA       GLU  28  -0.313  -8.283   4.110
  193   1HB   GLU  28          2HB       GLU  28  -0.547  -5.462   3.084
  194   2HB   GLU  28          1HB       GLU  28   0.940  -6.229   3.649
  195   1HG   GLU  28          2HG       GLU  28   0.238  -8.102   1.963
  196   2HG   GLU  28          1HG       GLU  28  -0.671  -6.817   1.232
  197    H    HIS  29           H        HIS  29  -2.990  -6.856   5.205
  198    HA   HIS  29           HA       HIS  29  -3.799  -6.519   7.248
  199   1HB   HIS  29          2HB       HIS  29  -1.284  -7.942   8.107
  200   2HB   HIS  29          1HB       HIS  29  -2.613  -7.547   9.192
  201    HD1  HIS  29           1HD      HIS  29  -1.430 -10.223   7.053
  202    HD2  HIS  29           2HD      HIS  29  -5.143  -8.770   8.225
  203    HE1  HIS  29           1HE      HIS  29  -3.031 -12.046   6.577
  204    HE2  HIS  29           2HE      HIS  29  -5.229 -11.232   7.508
  205    H    LEU  30           H        LEU  30  -2.232  -4.413   6.101
  206    HA   LEU  30           HA       LEU  30  -1.152  -3.123   8.486
  207   1HB   LEU  30          2HB       LEU  30  -0.824  -2.421   5.572
  208   2HB   LEU  30          1HB       LEU  30  -0.148  -1.487   6.890
  209    HG   LEU  30           HG       LEU  30   0.593  -4.328   6.168
  210   1HD1  LEU  30          1HD1      LEU  30   2.142  -1.760   5.932
  211   2HD1  LEU  30          2HD1      LEU  30   1.509  -2.745   4.606
  212   3HD1  LEU  30          3HD1      LEU  30   2.785  -3.375   5.642
  213   1HD2  LEU  30          1HD2      LEU  30   0.726  -4.031   8.577
  214   2HD2  LEU  30          2HD2      LEU  30   1.653  -2.547   8.362
  215   3HD2  LEU  30          3HD2      LEU  30   2.348  -4.093   7.886
  216    H    ARG  31           H        ARG  31  -1.458  -0.456   7.750
  217    HA   ARG  31           HA       ARG  31  -3.996   0.004   8.902
  218   1HB   ARG  31          2HB       ARG  31  -1.961   1.520   9.136
  219   2HB   ARG  31          1HB       ARG  31  -2.186   1.963   7.511
  220   1HG   ARG  31          2HG       ARG  31  -4.318   2.972   7.877
  221   2HG   ARG  31          1HG       ARG  31  -4.333   2.407   9.544
  222   1HD   ARG  31          2HD       ARG  31  -2.537   3.876  10.117
  223   2HD   ARG  31          1HD       ARG  31  -2.305   4.334   8.426
  224    HE   ARG  31           HE       ARG  31  -4.723   5.114   8.639
  225   1HH1  ARG  31          1HH1      ARG  31  -2.481   5.327  11.380
  226   2HH1  ARG  31          2HH1      ARG  31  -3.076   6.818  11.943
  227   1HH2  ARG  31          1HH2      ARG  31  -5.610   7.091   9.464
  228   2HH2  ARG  31          2HH2      ARG  31  -4.918   7.855  10.819
  229    H    SER  32           H        SER  32  -2.814   1.083   5.746
  230    HA   SER  32           HA       SER  32  -5.330   0.642   4.373
  231   1HB   SER  32          2HB       SER  32  -4.216   3.455   4.618
  232   2HB   SER  32          1HB       SER  32  -5.720   2.943   3.877
  233    HG   SER  32           HG       SER  32  -6.022   2.097   6.243
  234    H    GLY  33           H        GLY  33  -4.895   1.790   2.163
  235   1HA   GLY  33          2HA       GLY  33  -2.075   1.604   1.475
  236   2HA   GLY  33          1HA       GLY  33  -3.193   0.535   0.635
  237    H    ARG  34           H        ARG  34  -1.531   2.836  -0.230
  238    HA   ARG  34           HA       ARG  34  -3.653   4.223  -1.677
  239   1HB   ARG  34          2HB       ARG  34  -1.510   5.558  -0.061
  240   2HB   ARG  34          1HB       ARG  34  -2.254   6.346  -1.447
  241   1HG   ARG  34          2HG       ARG  34  -4.347   6.221  -0.511
  242   2HG   ARG  34          1HG       ARG  34  -3.804   5.261   0.877
  243   1HD   ARG  34          2HD       ARG  34  -2.995   8.114   0.238
  244   2HD   ARG  34          1HD       ARG  34  -4.086   7.617   1.530
  245    HE   ARG  34           HE       ARG  34  -1.461   6.418   1.668
  246   1HH1  ARG  34          1HH1      ARG  34  -3.479   9.130   2.747
  247   2HH1  ARG  34          2HH1      ARG  34  -2.433   9.583   3.996
  248   1HH2  ARG  34          1HH2      ARG  34  -0.059   7.010   3.328
  249   2HH2  ARG  34          2HH2      ARG  34  -0.392   8.319   4.381
  250    H    CYS  35           H        CYS  35  -3.274   5.086  -3.443
  251    HA   CYS  35           HA       CYS  35  -1.056   3.789  -4.836
  252   1HB   CYS  35          2HB       CYS  35  -3.521   3.460  -5.424
  253   2HB   CYS  35          1HB       CYS  35  -3.473   5.098  -6.057
  254    H    ARG  36           H        ARG  36   0.579   5.063  -5.207
  255    HA   ARG  36           HA       ARG  36   0.153   7.961  -5.216
  256   1HB   ARG  36          2HB       ARG  36   2.592   6.320  -4.518
  257   2HB   ARG  36          1HB       ARG  36   2.599   8.078  -4.638
  258   1HG   ARG  36          2HG       ARG  36   1.019   8.274  -2.847
  259   2HG   ARG  36          1HG       ARG  36   0.762   6.543  -2.827
  260   1HD   ARG  36          2HD       ARG  36   2.186   7.327  -0.968
  261   2HD   ARG  36          1HD       ARG  36   2.968   6.154  -2.002
  262    HE   ARG  36           HE       ARG  36   3.740   8.603  -2.959
  263   1HH1  ARG  36          1HH1      ARG  36   3.830   7.102   0.251
  264   2HH1  ARG  36          2HH1      ARG  36   5.421   7.592   0.595
  265   1HH2  ARG  36          1HH2      ARG  36   5.885   9.329  -2.475
  266   2HH2  ARG  36          2HH2      ARG  36   6.627   8.927  -0.992
  267    H    ASP  37           H        ASP  37   2.239   8.992  -6.477
  268    HA   ASP  37           HA       ASP  37   1.546   8.614  -9.191
  269   1HB   ASP  37          2HB       ASP  37   3.206  10.295  -9.704
  270   2HB   ASP  37          1HB       ASP  37   2.308  10.776  -8.268
  271    H    ASP  38           H        ASP  38   3.838   7.052  -7.236
  272    HA   ASP  38           HA       ASP  38   5.742   6.061  -9.062
  273   1HB   ASP  38          2HB       ASP  38   4.474   4.626  -6.713
  274   2HB   ASP  38          1HB       ASP  38   5.979   4.179  -7.497
  275    H    PHE  39           H        PHE  39   2.393   5.479  -8.632
  276    HA   PHE  39           HA       PHE  39   0.844   4.076  -9.399
  277   1HB   PHE  39          2HB       PHE  39   2.910   3.303 -11.505
  278   2HB   PHE  39          1HB       PHE  39   1.192   2.924 -11.575
  279    HD1  PHE  39           1HD      PHE  39  -0.372   5.061 -11.337
  280    HD2  PHE  39           2HD      PHE  39   3.666   5.109 -12.674
  281    HE1  PHE  39           1HE      PHE  39  -0.773   7.201 -12.468
  282    HE2  PHE  39           2HE      PHE  39   3.268   7.253 -13.808
  283    HZ   PHE  39           HZ       PHE  39   1.049   8.300 -13.702
  284    H    ARG  40           H        ARG  40   2.596   3.463  -7.420
  285    HA   ARG  40           HA       ARG  40   2.528   0.543  -7.423
  286   1HB   ARG  40          2HB       ARG  40   4.538   2.419  -6.160
  287   2HB   ARG  40          1HB       ARG  40   4.339   0.752  -5.664
  288   1HG   ARG  40          2HG       ARG  40   4.939   1.528  -8.488
  289   2HG   ARG  40          1HG       ARG  40   6.200   1.195  -7.287
  290   1HD   ARG  40          2HD       ARG  40   4.015  -0.718  -8.140
  291   2HD   ARG  40          1HD       ARG  40   5.697  -0.782  -8.662
  292    HE   ARG  40           HE       ARG  40   6.055  -0.880  -6.081
  293   1HH1  ARG  40          1HH1      ARG  40   3.669  -2.728  -8.025
  294   2HH1  ARG  40          2HH1      ARG  40   3.633  -4.006  -6.888
  295   1HH2  ARG  40          1HH2      ARG  40   5.919  -2.730  -4.576
  296   2HH2  ARG  40          2HH2      ARG  40   4.913  -4.017  -4.959
  297    H    CYS  41           H        CYS  41   1.907  -0.380  -5.495
  298    HA   CYS  41           HA       CYS  41  -0.008   1.154  -4.018
  299   1HB   CYS  41          2HB       CYS  41  -0.581  -1.011  -4.773
  300   2HB   CYS  41          1HB       CYS  41   0.814  -1.756  -3.999
  301    H    TRP  42           H        TRP  42   0.501   2.186  -2.251
  302    HA   TRP  42           HA       TRP  42   2.836   1.362  -0.689
  303   1HB   TRP  42          2HB       TRP  42   1.428   3.993  -1.072
  304   2HB   TRP  42          1HB       TRP  42   2.497   3.707   0.284
  305    HD1  TRP  42           HD       TRP  42   2.545   4.126  -3.546
  306    HE1  TRP  42           1HE      TRP  42   4.957   4.813  -4.228
  307    HE3  TRP  42           3HE      TRP  42   4.934   3.578   0.992
  308    HZ2  TRP  42           2HZ      TRP  42   7.459   5.060  -3.036
  309    HZ3  TRP  42           3HZ      TRP  42   7.252   4.065   1.133
  310    HH2  TRP  42           HH       TRP  42   8.548   4.788  -0.821
  311    H    CYS  43           H        CYS  43   2.262   0.331   1.089
  312    HA   CYS  43           HA       CYS  43  -0.408   0.605   2.220
  313   1HB   CYS  43          2HB       CYS  43   1.859  -1.263   2.931
  314   2HB   CYS  43          1HB       CYS  43   0.228  -1.314   3.591
  315    H    THR  44           H        THR  44  -0.734   1.693   4.130
  316    HA   THR  44           HA       THR  44   1.560   3.051   5.260
  317    HB   THR  44           HB       THR  44  -1.361   3.470   5.903
  318    HG1  THR  44           1HG      THR  44   0.043   4.606   3.631
  319   1HG2  THR  44          1HG2      THR  44  -0.608   5.781   6.313
  320   2HG2  THR  44          2HG2      THR  44   1.026   5.334   5.827
  321   3HG2  THR  44          3HG2      THR  44   0.317   4.630   7.279
  322    H    ARG  45           H        ARG  45   2.013   2.639   7.479
  323    HA   ARG  45           HA       ARG  45   0.204   0.777   8.835
  324   1HB   ARG  45          2HB       ARG  45   1.969  -0.570   9.607
  325   2HB   ARG  45          1HB       ARG  45   2.393  -0.281   7.930
  326   1HG   ARG  45          2HG       ARG  45   3.947   1.494   8.655
  327   2HG   ARG  45          1HG       ARG  45   3.557   1.125  10.336
  328   1HD   ARG  45          2HD       ARG  45   5.531  -0.034   9.938
  329   2HD   ARG  45          1HD       ARG  45   4.281  -1.262   9.760
  330    HE   ARG  45           HE       ARG  45   5.203   0.115   7.370
  331   1HH1  ARG  45          1HH1      ARG  45   5.164  -2.902   9.252
  332   2HH1  ARG  45          2HH1      ARG  45   5.937  -3.816   8.057
  333   1HH2  ARG  45          1HH2      ARG  45   6.272  -1.135   5.758
  334   2HH2  ARG  45          2HH2      ARG  45   6.560  -2.787   5.985
  335    H    ASN  46           H        ASN  46   0.200   1.077  11.165
  336    HA   ASN  46           HA       ASN  46   0.872   3.692  11.981
  337   1HB   ASN  46          2HB       ASN  46  -0.372   1.290  13.295
  338   2HB   ASN  46          1HB       ASN  46  -0.038   2.817  14.089
  339   1HD2  ASN  46          1HD2      ASN  46  -2.575   1.479  13.635
  340   2HD2  ASN  46          2HD2      ASN  46  -3.567   2.556  12.734
  341    H    CYS  47           H        CYS  47   2.685   4.167  13.005
  342    HA   CYS  47           HA       CYS  47   4.223   2.020  14.202
  343   1HB   CYS  47          2HB       CYS  47   6.305   3.284  13.358
  344   2HB   CYS  47          1HB       CYS  47   5.394   2.385  12.149
  Start of MODEL   11
    1   1H    LYS   1          1HT       LYS   1   2.943  10.412  13.871
    2   2H    LYS   1          2HT       LYS   1   3.043   8.765  13.450
    3   3H    LYS   1          3HT       LYS   1   1.627   9.625  13.167
    4    HA   LYS   1           HA       LYS   1   2.649  10.989  11.506
    5   1HB   LYS   1          2HB       LYS   1   4.942   9.077  11.488
    6   2HB   LYS   1          1HB       LYS   1   4.848  10.687  10.827
    7   1HG   LYS   1          2HG       LYS   1   5.133  11.680  12.981
    8   2HG   LYS   1          1HG       LYS   1   5.032  10.097  13.760
    9   1HD   LYS   1          2HD       LYS   1   7.026   9.443  12.307
   10   2HD   LYS   1          1HD       LYS   1   7.209  11.167  11.988
   11   1HE   LYS   1          2HE       LYS   1   8.643  10.450  13.822
   12   2HE   LYS   1          1HE       LYS   1   7.417  11.585  14.385
   13   1HZ   LYS   1          1HZ       LYS   1   7.773   9.579  15.831
   14   2HZ   LYS   1          2HZ       LYS   1   7.045   8.638  14.600
   15   3HZ   LYS   1          3HZ       LYS   1   6.185   9.842  15.350
   16    H    THR   2           H        THR   2   3.039   9.944   9.284
   17    HA   THR   2           HA       THR   2   2.174   7.179   9.372
   18    HB   THR   2           HB       THR   2   1.291   7.614   7.072
   19    HG1  THR   2           1HG      THR   2   0.595  10.118   7.243
   20   1HG2  THR   2          1HG2      THR   2  -0.861   8.553   7.899
   21   2HG2  THR   2          2HG2      THR   2  -0.052   9.006   9.397
   22   3HG2  THR   2          3HG2      THR   2  -0.210   7.304   8.961
   23    H    CYS   3           H        CYS   3   3.369   5.787   8.379
   24    HA   CYS   3           HA       CYS   3   5.565   6.735   6.702
   25   1HB   CYS   3          2HB       CYS   3   5.537   4.470   8.719
   26   2HB   CYS   3          1HB       CYS   3   6.823   4.727   7.545
   27    H    GLU   4           H        GLU   4   5.664   5.798   4.747
   28    HA   GLU   4           HA       GLU   4   3.618   3.769   4.225
   29   1HB   GLU   4          2HB       GLU   4   3.128   6.171   3.579
   30   2HB   GLU   4          1HB       GLU   4   4.469   6.056   2.476
   31   1HG   GLU   4          2HG       GLU   4   3.388   4.541   1.130
   32   2HG   GLU   4          1HG       GLU   4   2.105   4.227   2.313
   33    H    ASN   5           H        ASN   5   4.225   2.120   2.861
   34    HA   ASN   5           HA       ASN   5   6.774   2.214   1.435
   35   1HB   ASN   5          2HB       ASN   5   7.133   1.247   3.859
   36   2HB   ASN   5          1HB       ASN   5   6.196  -0.109   3.238
   37   1HD2  ASN   5          1HD2      ASN   5   9.195   1.591   2.997
   38   2HD2  ASN   5          2HD2      ASN   5  10.046   0.368   2.114
   39    H    LEU   6           H        LEU   6   6.970   0.236   0.113
   40    HA   LEU   6           HA       LEU   6   4.693   0.003  -1.474
   41   1HB   LEU   6          2HB       LEU   6   7.345  -1.263  -1.260
   42   2HB   LEU   6          1HB       LEU   6   6.235  -1.607  -2.566
   43    HG   LEU   6           HG       LEU   6   7.292   1.165  -1.978
   44   1HD1  LEU   6          1HD1      LEU   6   8.323  -0.862  -3.963
   45   2HD1  LEU   6          2HD1      LEU   6   9.164  -0.325  -2.509
   46   3HD1  LEU   6          3HD1      LEU   6   8.858   0.813  -3.822
   47   1HD2  LEU   6          1HD2      LEU   6   5.236   1.077  -3.276
   48   2HD2  LEU   6          2HD2      LEU   6   5.979  -0.062  -4.395
   49   3HD2  LEU   6          3HD2      LEU   6   6.587   1.591  -4.285
   50    H    ALA   7           H        ALA   7   3.254  -1.667  -1.569
   51    HA   ALA   7           HA       ALA   7   3.117  -3.565   0.531
   52   1HB   ALA   7          1HB       ALA   7   1.218  -4.453  -0.761
   53   2HB   ALA   7          2HB       ALA   7   1.643  -3.373  -2.093
   54   3HB   ALA   7          3HB       ALA   7   1.118  -2.706  -0.549
   55    H    ASN   8           H        ASN   8   4.544  -5.129   0.623
   56    HA   ASN   8           HA       ASN   8   5.860  -6.000  -1.776
   57   1HB   ASN   8          2HB       ASN   8   7.311  -7.406  -0.310
   58   2HB   ASN   8          1HB       ASN   8   7.349  -5.691   0.061
   59   1HD2  ASN   8          1HD2      ASN   8   6.537  -4.990   2.005
   60   2HD2  ASN   8          2HD2      ASN   8   6.173  -6.046   3.314
   61    H    THR   9           H        THR   9   3.093  -6.995  -0.270
   62    HA   THR   9           HA       THR   9   3.452  -9.632  -1.469
   63    HB   THR   9           HB       THR   9   1.103  -8.799   0.280
   64    HG1  THR   9           1HG      THR   9   2.825  -8.483   1.594
   65   1HG2  THR   9          1HG2      THR   9   2.376 -11.497  -0.271
   66   2HG2  THR   9          2HG2      THR   9   0.870 -10.916  -0.980
   67   3HG2  THR   9          3HG2      THR   9   0.972 -11.209   0.756
   68    H    TYR  10           H        TYR  10   2.751  -6.797  -2.464
   69    HA   TYR  10           HA       TYR  10   0.481  -7.599  -4.156
   70   1HB   TYR  10          2HB       TYR  10   0.143  -5.469  -2.786
   71   2HB   TYR  10          1HB       TYR  10   1.473  -4.773  -3.695
   72    HD1  TYR  10           1HD      TYR  10   1.176  -4.461  -6.212
   73    HD2  TYR  10           2HD      TYR  10  -2.061  -5.448  -3.649
   74    HE1  TYR  10           1HE      TYR  10  -0.407  -3.660  -7.921
   75    HE2  TYR  10           2HE      TYR  10  -3.654  -4.660  -5.352
   76    HH   TYR  10           HH       TYR  10  -2.732  -4.025  -8.555
   77    H    ARG  11           H        ARG  11   1.108  -8.138  -6.126
   78    HA   ARG  11           HA       ARG  11   3.430  -6.745  -7.150
   79   1HB   ARG  11          2HB       ARG  11   4.122  -8.736  -8.348
   80   2HB   ARG  11          1HB       ARG  11   3.963  -9.041  -6.622
   81   1HG   ARG  11          2HG       ARG  11   1.860 -10.189  -7.004
   82   2HG   ARG  11          1HG       ARG  11   1.993  -9.869  -8.735
   83   1HD   ARG  11          2HD       ARG  11   3.849 -11.528  -7.032
   84   2HD   ARG  11          1HD       ARG  11   2.777 -12.100  -8.311
   85    HE   ARG  11           HE       ARG  11   4.203 -10.561  -9.768
   86   1HH1  ARG  11          1HH1      ARG  11   5.464 -12.478  -7.065
   87   2HH1  ARG  11          2HH1      ARG  11   7.049 -12.566  -7.691
   88   1HH2  ARG  11          1HH2      ARG  11   6.416 -10.695 -10.616
   89   2HH2  ARG  11          2HH2      ARG  11   7.581 -11.549  -9.747
   90    H    GLY  12           H        GLY  12   3.318  -5.904  -9.102
   91   1HA   GLY  12          2HA       GLY  12   2.394  -5.985 -11.346
   92   2HA   GLY  12          1HA       GLY  12   0.849  -6.347 -10.599
   93    HA   PRO  13           HA       PRO  13   1.608  -1.627 -11.099
   94   1HB   PRO  13          2HB       PRO  13  -0.339  -1.847 -13.313
   95   2HB   PRO  13          1HB       PRO  13   1.176  -0.943 -13.242
   96   1HG   PRO  13          2HG       PRO  13   0.958  -3.168 -14.713
   97   2HG   PRO  13          1HG       PRO  13   2.455  -2.777 -13.841
   98   1HD   PRO  13          2HD       PRO  13   0.289  -4.710 -13.128
   99   2HD   PRO  13          1HD       PRO  13   2.052  -4.887 -13.001
  100    H    CYS  14           H        CYS  14   0.254  -0.270 -10.137
  101    HA   CYS  14           HA       CYS  14  -2.385  -1.263  -9.355
  102   1HB   CYS  14          2HB       CYS  14  -0.897  -0.947  -7.483
  103   2HB   CYS  14          1HB       CYS  14  -0.468   0.663  -8.036
  104    H    PHE  15           H        PHE  15  -4.136  -0.026  -9.773
  105    HA   PHE  15           HA       PHE  15  -3.706   2.598 -11.002
  106   1HB   PHE  15          2HB       PHE  15  -5.601   0.461 -11.988
  107   2HB   PHE  15          1HB       PHE  15  -5.540   2.106 -12.602
  108    HD1  PHE  15           1HD      PHE  15  -4.176  -1.203 -12.809
  109    HD2  PHE  15           2HD      PHE  15  -3.413   2.881 -13.734
  110    HE1  PHE  15           1HE      PHE  15  -2.463  -1.896 -14.430
  111    HE2  PHE  15           2HE      PHE  15  -1.698   2.195 -15.359
  112    HZ   PHE  15           HZ       PHE  15  -1.222  -0.195 -15.710
  113    H    THR  16           H        THR  16  -5.072   1.104  -8.388
  114    HA   THR  16           HA       THR  16  -6.938   3.302  -8.066
  115    HB   THR  16           HB       THR  16  -7.847   0.421  -7.789
  116    HG1  THR  16           1HG      THR  16  -7.819   2.199  -9.811
  117   1HG2  THR  16          1HG2      THR  16  -8.916   1.906  -6.136
  118   2HG2  THR  16          2HG2      THR  16 -10.075   1.379  -7.359
  119   3HG2  THR  16          3HG2      THR  16  -9.395   3.005  -7.431
  120    H    THR  17           H        THR  17  -6.928   4.105  -6.080
  121    HA   THR  17           HA       THR  17  -5.047   3.389  -4.143
  122    HB   THR  17           HB       THR  17  -7.525   5.076  -3.784
  123    HG1  THR  17           1HG      THR  17  -6.568   6.054  -5.409
  124   1HG2  THR  17          1HG2      THR  17  -4.820   5.310  -2.484
  125   2HG2  THR  17          2HG2      THR  17  -6.211   4.530  -1.725
  126   3HG2  THR  17          3HG2      THR  17  -6.258   6.256  -2.100
  127    H    GLY  18           H        GLY  18  -8.563   2.905  -4.231
  128   1HA   GLY  18          2HA       GLY  18  -8.809   1.738  -1.682
  129   2HA   GLY  18          1HA       GLY  18  -9.968   1.607  -2.994
  130    H    SER  19           H        SER  19  -7.847   0.397  -4.739
  131    HA   SER  19           HA       SER  19  -8.385  -2.321  -4.039
  132   1HB   SER  19          2HB       SER  19  -6.562  -1.187  -6.177
  133   2HB   SER  19          1HB       SER  19  -7.191  -2.837  -6.101
  134    HG   SER  19           HG       SER  19  -9.277  -1.978  -6.289
  135    H    CYS  20           H        CYS  20  -5.809  -0.073  -3.700
  136    HA   CYS  20           HA       CYS  20  -3.887  -2.007  -2.853
  137   1HB   CYS  20          2HB       CYS  20  -3.156   0.076  -3.950
  138   2HB   CYS  20          1HB       CYS  20  -3.922   1.009  -2.715
  139    H    ASP  21           H        ASP  21  -6.010   0.400  -1.293
  140    HA   ASP  21           HA       ASP  21  -5.265   0.013   1.383
  141   1HB   ASP  21          2HB       ASP  21  -6.695   1.849   0.701
  142   2HB   ASP  21          1HB       ASP  21  -7.972   0.731   0.217
  143    H    ASP  22           H        ASP  22  -7.784  -1.535  -0.494
  144    HA   ASP  22           HA       ASP  22  -8.841  -3.429   1.188
  145   1HB   ASP  22          2HB       ASP  22  -9.694  -3.161  -1.022
  146   2HB   ASP  22          1HB       ASP  22  -8.134  -3.510  -1.741
  147    H    HIS  23           H        HIS  23  -5.969  -3.705  -0.790
  148    HA   HIS  23           HA       HIS  23  -5.237  -6.307  -0.002
  149   1HB   HIS  23          2HB       HIS  23  -4.447  -5.448  -2.097
  150   2HB   HIS  23          1HB       HIS  23  -3.705  -4.063  -1.317
  151    HD1  HIS  23           1HD      HIS  23  -3.228  -7.740  -1.871
  152    HD2  HIS  23           2HD      HIS  23  -1.180  -4.478  -0.353
  153    HE1  HIS  23           1HE      HIS  23  -0.884  -8.531  -1.491
  154    HE2  HIS  23           2HE      HIS  23   0.249  -6.546  -0.330
  155    H    CYS  24           H        CYS  24  -3.958  -3.126   0.966
  156    HA   CYS  24           HA       CYS  24  -2.005  -4.159   2.668
  157   1HB   CYS  24          2HB       CYS  24  -3.290  -1.441   2.577
  158   2HB   CYS  24          1HB       CYS  24  -1.877  -1.814   3.553
  159    H    LYS  25           H        LYS  25  -5.415  -3.254   3.411
  160    HA   LYS  25           HA       LYS  25  -5.039  -3.532   6.172
  161   1HB   LYS  25          2HB       LYS  25  -7.323  -3.346   4.293
  162   2HB   LYS  25          1HB       LYS  25  -7.567  -3.682   5.986
  163   1HG   LYS  25          2HG       LYS  25  -6.434  -1.548   6.527
  164   2HG   LYS  25          1HG       LYS  25  -6.274  -1.239   4.793
  165   1HD   LYS  25          2HD       LYS  25  -8.664  -1.259   4.523
  166   2HD   LYS  25          1HD       LYS  25  -8.882  -1.719   6.211
  167   1HE   LYS  25          2HE       LYS  25  -7.658   0.859   5.247
  168   2HE   LYS  25          1HE       LYS  25  -9.317   0.660   5.809
  169   1HZ   LYS  25          1HZ       LYS  25  -6.838   0.335   7.400
  170   2HZ   LYS  25          2HZ       LYS  25  -8.356  -0.107   7.954
  171   3HZ   LYS  25          3HZ       LYS  25  -8.043   1.510   7.593
  172    H    ASN  26           H        ASN  26  -6.654  -5.537   3.681
  173    HA   ASN  26           HA       ASN  26  -7.281  -7.492   5.642
  174   1HB   ASN  26          2HB       ASN  26  -8.908  -7.012   3.977
  175   2HB   ASN  26          1HB       ASN  26  -7.761  -7.333   2.683
  176   1HD2  ASN  26          1HD2      ASN  26  -7.498  -9.373   1.979
  177   2HD2  ASN  26          2HD2      ASN  26  -8.371 -10.708   2.602
  178    H    LYS  27           H        LYS  27  -4.932  -7.309   3.018
  179    HA   LYS  27           HA       LYS  27  -4.189 -10.044   3.621
  180   1HB   LYS  27          2HB       LYS  27  -4.395  -9.539   1.274
  181   2HB   LYS  27          1HB       LYS  27  -3.271  -8.196   1.412
  182   1HG   LYS  27          2HG       LYS  27  -2.195 -10.109   0.367
  183   2HG   LYS  27          1HG       LYS  27  -1.463  -9.772   1.937
  184   1HD   LYS  27          2HD       LYS  27  -2.907 -11.547   2.918
  185   2HD   LYS  27          1HD       LYS  27  -3.457 -11.942   1.286
  186   1HE   LYS  27          2HE       LYS  27  -1.163 -12.461   0.643
  187   2HE   LYS  27          1HE       LYS  27  -0.605 -12.029   2.257
  188   1HZ   LYS  27          1HZ       LYS  27  -0.814 -14.383   2.136
  189   2HZ   LYS  27          2HZ       LYS  27  -2.378 -14.287   1.532
  190   3HZ   LYS  27          3HZ       LYS  27  -2.066 -13.828   3.117
  191    H    GLU  28           H        GLU  28  -2.722  -6.789   3.723
  192    HA   GLU  28           HA       GLU  28  -0.427  -8.137   4.843
  193   1HB   GLU  28          2HB       GLU  28  -0.470  -5.360   3.684
  194   2HB   GLU  28          1HB       GLU  28   0.960  -6.171   4.331
  195   1HG   GLU  28          2HG       GLU  28   0.184  -8.073   2.707
  196   2HG   GLU  28          1HG       GLU  28  -0.606  -6.760   1.895
  197    H    HIS  29           H        HIS  29  -3.005  -6.655   5.956
  198    HA   HIS  29           HA       HIS  29  -3.718  -6.104   8.003
  199   1HB   HIS  29          2HB       HIS  29  -1.141  -7.394   8.917
  200   2HB   HIS  29          1HB       HIS  29  -2.508  -7.019   9.960
  201    HD1  HIS  29           1HD      HIS  29  -1.125  -9.635   7.912
  202    HD2  HIS  29           2HD      HIS  29  -4.926  -8.522   9.136
  203    HE1  HIS  29           1HE      HIS  29  -2.560 -11.622   7.494
  204    HE2  HIS  29           2HE      HIS  29  -4.768 -11.020   8.504
  205    H    LEU  30           H        LEU  30  -2.161  -4.148   6.591
  206    HA   LEU  30           HA       LEU  30  -0.902  -2.722   8.787
  207   1HB   LEU  30          2HB       LEU  30  -0.737  -2.259   5.811
  208   2HB   LEU  30          1HB       LEU  30   0.030  -1.233   7.008
  209    HG   LEU  30           HG       LEU  30   0.668  -4.151   6.516
  210   1HD1  LEU  30          1HD1      LEU  30   2.264  -1.669   5.942
  211   2HD1  LEU  30          2HD1      LEU  30   1.519  -2.746   4.756
  212   3HD1  LEU  30          3HD1      LEU  30   2.839  -3.326   5.766
  213   1HD2  LEU  30          1HD2      LEU  30   1.885  -2.191   8.463
  214   2HD2  LEU  30          2HD2      LEU  30   2.528  -3.788   8.091
  215   3HD2  LEU  30          3HD2      LEU  30   0.955  -3.640   8.870
  216    H    ARG  31           H        ARG  31  -1.214  -0.125   7.873
  217    HA   ARG  31           HA       ARG  31  -3.735   0.322   9.124
  218   1HB   ARG  31          2HB       ARG  31  -1.420   1.645   9.111
  219   2HB   ARG  31          1HB       ARG  31  -2.173   2.448   7.798
  220   1HG   ARG  31          2HG       ARG  31  -3.602   2.301  10.422
  221   2HG   ARG  31          1HG       ARG  31  -2.459   3.591  10.049
  222   1HD   ARG  31          2HD       ARG  31  -3.709   4.197   8.131
  223   2HD   ARG  31          1HD       ARG  31  -4.837   2.866   8.364
  224    HE   ARG  31           HE       ARG  31  -4.891   4.389  10.677
  225   1HH1  ARG  31          1HH1      ARG  31  -5.663   4.821   7.248
  226   2HH1  ARG  31          2HH1      ARG  31  -6.889   5.958   7.518
  227   1HH2  ARG  31          1HH2      ARG  31  -6.592   5.902  11.057
  228   2HH2  ARG  31          2HH2      ARG  31  -7.462   6.585   9.758
  229    H    SER  32           H        SER  32  -2.477   1.489   5.988
  230    HA   SER  32           HA       SER  32  -5.069   1.041   4.738
  231   1HB   SER  32          2HB       SER  32  -3.727   3.763   4.685
  232   2HB   SER  32          1HB       SER  32  -5.212   3.299   3.886
  233    HG   SER  32           HG       SER  32  -6.281   3.252   5.701
  234    H    GLY  33           H        GLY  33  -4.676   2.022   2.361
  235   1HA   GLY  33          2HA       GLY  33  -1.954   1.574   1.516
  236   2HA   GLY  33          1HA       GLY  33  -3.178   0.460   0.897
  237    H    ARG  34           H        ARG  34  -1.501   2.652  -0.285
  238    HA   ARG  34           HA       ARG  34  -3.718   3.913  -1.720
  239   1HB   ARG  34          2HB       ARG  34  -1.276   5.320  -0.703
  240   2HB   ARG  34          1HB       ARG  34  -2.360   5.971  -1.921
  241   1HG   ARG  34          2HG       ARG  34  -4.127   5.783  -0.468
  242   2HG   ARG  34          1HG       ARG  34  -3.106   5.270   0.906
  243   1HD   ARG  34          2HD       ARG  34  -3.223   7.911  -0.547
  244   2HD   ARG  34          1HD       ARG  34  -3.326   7.632   1.192
  245    HE   ARG  34           HE       ARG  34  -0.851   6.846   0.792
  246   1HH1  ARG  34          1HH1      ARG  34  -2.508   9.705  -0.486
  247   2HH1  ARG  34          2HH1      ARG  34  -1.069  10.558  -0.831
  248   1HH2  ARG  34          1HH2      ARG  34   1.084   7.948   0.306
  249   2HH2  ARG  34          2HH2      ARG  34   1.057   9.516  -0.350
  250    H    CYS  35           H        CYS  35  -3.324   4.639  -3.554
  251    HA   CYS  35           HA       CYS  35  -1.272   3.065  -4.953
  252   1HB   CYS  35          2HB       CYS  35  -3.709   2.617  -5.392
  253   2HB   CYS  35          1HB       CYS  35  -3.778   4.204  -6.155
  254    H    ARG  36           H        ARG  36   0.352   4.295  -5.386
  255    HA   ARG  36           HA       ARG  36  -0.065   7.153  -5.649
  256   1HB   ARG  36          2HB       ARG  36   2.337   5.470  -5.043
  257   2HB   ARG  36          1HB       ARG  36   2.460   7.188  -5.401
  258   1HG   ARG  36          2HG       ARG  36   1.070   7.736  -3.543
  259   2HG   ARG  36          1HG       ARG  36   0.712   6.044  -3.265
  260   1HD   ARG  36          2HD       ARG  36   2.365   7.127  -1.712
  261   2HD   ARG  36          1HD       ARG  36   2.828   5.600  -2.437
  262    HE   ARG  36           HE       ARG  36   4.026   7.262  -4.091
  263   1HH1  ARG  36          1HH1      ARG  36   3.778   7.363  -0.549
  264   2HH1  ARG  36          2HH1      ARG  36   5.334   7.986  -0.296
  265   1HH2  ARG  36          1HH2      ARG  36   6.247   8.054  -3.754
  266   2HH2  ARG  36          2HH2      ARG  36   6.775   8.389  -2.184
  267    H    ASP  37           H        ASP  37   1.752   8.194  -7.124
  268    HA   ASP  37           HA       ASP  37   0.969   7.454  -9.794
  269   1HB   ASP  37          2HB       ASP  37   2.958   9.565  -8.909
  270   2HB   ASP  37          1HB       ASP  37   2.212   9.433 -10.493
  271    H    ASP  38           H        ASP  38   3.109   6.333  -7.778
  272    HA   ASP  38           HA       ASP  38   5.395   5.715  -9.394
  273   1HB   ASP  38          2HB       ASP  38   4.335   4.395  -6.881
  274   2HB   ASP  38          1HB       ASP  38   5.933   4.166  -7.572
  275    H    PHE  39           H        PHE  39   2.198   4.709  -9.238
  276    HA   PHE  39           HA       PHE  39   0.934   3.124 -10.136
  277   1HB   PHE  39          2HB       PHE  39   3.435   2.377 -11.673
  278   2HB   PHE  39          1HB       PHE  39   1.882   1.599 -11.915
  279    HD1  PHE  39           1HD      PHE  39   0.021   2.788 -12.922
  280    HD2  PHE  39           2HD      PHE  39   3.826   4.638 -12.468
  281    HE1  PHE  39           1HE      PHE  39  -0.645   4.542 -14.512
  282    HE2  PHE  39           2HE      PHE  39   3.165   6.392 -14.056
  283    HZ   PHE  39           HZ       PHE  39   0.925   6.344 -15.080
  284    H    ARG  40           H        ARG  40   2.640   2.670  -7.737
  285    HA   ARG  40           HA       ARG  40   2.137  -0.199  -7.643
  286   1HB   ARG  40          2HB       ARG  40   4.379   1.261  -6.250
  287   2HB   ARG  40          1HB       ARG  40   3.926  -0.401  -5.929
  288   1HG   ARG  40          2HG       ARG  40   4.352  -0.757  -8.456
  289   2HG   ARG  40          1HG       ARG  40   5.239   0.769  -8.337
  290   1HD   ARG  40          2HD       ARG  40   6.747  -1.128  -7.993
  291   2HD   ARG  40          1HD       ARG  40   6.595  -0.179  -6.508
  292    HE   ARG  40           HE       ARG  40   4.680  -2.260  -6.654
  293   1HH1  ARG  40          1HH1      ARG  40   8.085  -1.738  -5.821
  294   2HH1  ARG  40          2HH1      ARG  40   8.171  -3.069  -4.765
  295   1HH2  ARG  40          1HH2      ARG  40   4.796  -4.096  -5.200
  296   2HH2  ARG  40          2HH2      ARG  40   6.243  -4.424  -4.390
  297    H    CYS  41           H        CYS  41   1.671  -1.030  -5.545
  298    HA   CYS  41           HA       CYS  41  -0.169   0.638  -4.104
  299   1HB   CYS  41          2HB       CYS  41  -0.781  -1.578  -4.659
  300   2HB   CYS  41          1HB       CYS  41   0.654  -2.269  -3.906
  301    H    TRP  42           H        TRP  42   0.381   1.735  -2.383
  302    HA   TRP  42           HA       TRP  42   2.818   1.034  -0.909
  303   1HB   TRP  42          2HB       TRP  42   1.403   3.649  -1.405
  304   2HB   TRP  42          1HB       TRP  42   2.577   3.425  -0.125
  305    HD1  TRP  42           HD       TRP  42   2.373   3.399  -3.996
  306    HE1  TRP  42           1HE      TRP  42   4.716   4.047  -4.891
  307    HE3  TRP  42           3HE      TRP  42   4.931   3.650   0.422
  308    HZ2  TRP  42           2HZ      TRP  42   7.251   4.605  -3.868
  309    HZ3  TRP  42           3HZ      TRP  42   7.264   4.276   0.398
  310    HH2  TRP  42           HH       TRP  42   8.438   4.749  -1.711
  311    H    CYS  43           H        CYS  43   2.346   0.268   1.059
  312    HA   CYS  43           HA       CYS  43  -0.305   0.635   2.198
  313   1HB   CYS  43          2HB       CYS  43   2.062  -0.988   3.149
  314   2HB   CYS  43          1HB       CYS  43   0.472  -0.963   3.896
  315    H    THR  44           H        THR  44  -0.644   1.895   4.015
  316    HA   THR  44           HA       THR  44   1.586   3.613   4.756
  317    HB   THR  44           HB       THR  44  -1.378   4.026   5.224
  318    HG1  THR  44           1HG      THR  44   0.059   5.110   2.960
  319   1HG2  THR  44          1HG2      THR  44   0.943   5.965   5.039
  320   2HG2  THR  44          2HG2      THR  44   0.162   5.426   6.527
  321   3HG2  THR  44          3HG2      THR  44  -0.740   6.394   5.364
  322    H    ARG  45           H        ARG  45   2.108   3.594   6.966
  323    HA   ARG  45           HA       ARG  45   0.269   2.274   8.738
  324   1HB   ARG  45          2HB       ARG  45   2.081   0.939   9.799
  325   2HB   ARG  45          1HB       ARG  45   1.784   0.472   8.137
  326   1HG   ARG  45          2HG       ARG  45   3.771   1.792   7.462
  327   2HG   ARG  45          1HG       ARG  45   4.084   2.129   9.165
  328   1HD   ARG  45          2HD       ARG  45   4.148  -0.365   9.543
  329   2HD   ARG  45          1HD       ARG  45   4.037  -0.562   7.805
  330    HE   ARG  45           HE       ARG  45   6.171   1.122   8.242
  331   1HH1  ARG  45          1HH1      ARG  45   5.367  -2.251   9.089
  332   2HH1  ARG  45          2HH1      ARG  45   6.988  -2.738   9.151
  333   1HH2  ARG  45          1HH2      ARG  45   8.389   0.380   8.359
  334   2HH2  ARG  45          2HH2      ARG  45   8.730  -1.242   8.731
  335    H    ASN  46           H        ASN  46   0.604   2.799  11.008
  336    HA   ASN  46           HA       ASN  46   1.259   5.520  11.268
  337   1HB   ASN  46          2HB       ASN  46   0.085   3.365  12.947
  338   2HB   ASN  46          1HB       ASN  46   0.575   4.886  13.660
  339   1HD2  ASN  46          1HD2      ASN  46  -2.067   3.628  13.330
  340   2HD2  ASN  46          2HD2      ASN  46  -3.040   4.769  12.500
  341    H    CYS  47           H        CYS  47   2.980   6.348  12.161
  342    HA   CYS  47           HA       CYS  47   4.770   4.747  13.789
  343   1HB   CYS  47          2HB       CYS  47   6.708   5.712  12.490
  344   2HB   CYS  47          1HB       CYS  47   5.733   4.569  11.566
  Start of MODEL   12
    1   1H    LYS   1          1HT       LYS   1   2.922  12.085  13.056
    2   2H    LYS   1          2HT       LYS   1   1.735  12.033  11.836
    3   3H    LYS   1          3HT       LYS   1   3.330  11.775  11.447
    4    HA   LYS   1           HA       LYS   1   3.399   9.773  12.677
    5   1HB   LYS   1          2HB       LYS   1   1.179   8.808  13.387
    6   2HB   LYS   1          1HB       LYS   1   1.880  10.006  14.442
    7   1HG   LYS   1          2HG       LYS   1   0.313  11.683  13.449
    8   2HG   LYS   1          1HG       LYS   1  -0.373  10.387  12.472
    9   1HD   LYS   1          2HD       LYS   1  -1.177   9.236  14.377
   10   2HD   LYS   1          1HD       LYS   1  -0.250  10.250  15.478
   11   1HE   LYS   1          2HE       LYS   1  -2.487  11.223  13.710
   12   2HE   LYS   1          1HE       LYS   1  -2.674  10.793  15.409
   13   1HZ   LYS   1          1HZ       LYS   1  -2.398  13.165  15.117
   14   2HZ   LYS   1          2HZ       LYS   1  -0.920  12.958  14.355
   15   3HZ   LYS   1          3HZ       LYS   1  -1.092  12.553  15.980
   16    H    THR   2           H        THR   2   2.327   7.805  12.033
   17    HA   THR   2           HA       THR   2   1.977   6.297  10.443
   18    HB   THR   2           HB       THR   2   0.268   6.632   8.679
   19    HG1  THR   2           1HG      THR   2   0.572   9.238   9.390
   20   1HG2  THR   2          1HG2      THR   2  -0.564   7.349  11.489
   21   2HG2  THR   2          2HG2      THR   2  -0.381   5.723  10.823
   22   3HG2  THR   2          3HG2      THR   2  -1.663   6.781  10.232
   23    H    CYS   3           H        CYS   3   3.086   5.490   8.974
   24    HA   CYS   3           HA       CYS   3   4.653   7.302   7.257
   25   1HB   CYS   3          2HB       CYS   3   5.531   4.751   8.646
   26   2HB   CYS   3          1HB       CYS   3   6.509   5.641   7.484
   27    H    GLU   4           H        GLU   4   4.696   6.784   5.095
   28    HA   GLU   4           HA       GLU   4   3.213   4.374   4.348
   29   1HB   GLU   4          2HB       GLU   4   2.318   6.710   3.793
   30   2HB   GLU   4          1HB       GLU   4   3.683   6.842   2.723
   31   1HG   GLU   4          2HG       GLU   4   2.927   5.013   1.407
   32   2HG   GLU   4          1HG       GLU   4   1.595   4.711   2.516
   33    H    ASN   5           H        ASN   5   4.145   2.917   3.093
   34    HA   ASN   5           HA       ASN   5   6.477   3.473   1.451
   35   1HB   ASN   5          2HB       ASN   5   7.389   2.777   3.792
   36   2HB   ASN   5          1HB       ASN   5   6.589   1.234   3.430
   37   1HD2  ASN   5          1HD2      ASN   5   8.536   0.060   3.357
   38   2HD2  ASN   5          2HD2      ASN   5   9.615   0.298   2.023
   39    H    LEU   6           H        LEU   6   6.942   1.622   0.193
   40    HA   LEU   6           HA       LEU   6   4.819   0.858  -1.349
   41   1HB   LEU   6          2HB       LEU   6   7.547  -0.207  -0.935
   42   2HB   LEU   6          1HB       LEU   6   6.516  -0.583  -2.299
   43    HG   LEU   6           HG       LEU   6   7.336   2.240  -1.665
   44   1HD1  LEU   6          1HD1      LEU   6   8.718   0.259  -3.467
   45   2HD1  LEU   6          2HD1      LEU   6   9.363   0.893  -1.949
   46   3HD1  LEU   6          3HD1      LEU   6   9.100   1.974  -3.321
   47   1HD2  LEU   6          1HD2      LEU   6   6.400   0.861  -4.178
   48   2HD2  LEU   6          2HD2      LEU   6   6.832   2.563  -4.030
   49   3HD2  LEU   6          3HD2      LEU   6   5.433   1.934  -3.165
   50    H    ALA   7           H        ALA   7   3.685  -1.022  -1.534
   51    HA   ALA   7           HA       ALA   7   3.516  -2.931   0.565
   52   1HB   ALA   7          1HB       ALA   7   2.119  -4.185  -1.048
   53   2HB   ALA   7          2HB       ALA   7   2.605  -3.059  -2.317
   54   3HB   ALA   7          3HB       ALA   7   1.640  -2.491  -0.955
   55    H    ASN   8           H        ASN   8   4.311  -5.099   0.477
   56    HA   ASN   8           HA       ASN   8   6.782  -5.134  -1.094
   57   1HB   ASN   8          2HB       ASN   8   7.827  -6.486   0.518
   58   2HB   ASN   8          1HB       ASN   8   6.850  -5.387   1.470
   59   1HD2  ASN   8          1HD2      ASN   8   4.877  -6.244   2.416
   60   2HD2  ASN   8          2HD2      ASN   8   4.750  -7.934   2.706
   61    H    THR   9           H        THR   9   3.815  -6.919  -0.627
   62    HA   THR   9           HA       THR   9   4.865  -8.894  -2.510
   63    HB   THR   9           HB       THR   9   2.780 -10.224  -1.752
   64    HG1  THR   9           1HG      THR   9   3.053  -8.971   0.701
   65   1HG2  THR   9          1HG2      THR   9   5.113  -9.773   0.119
   66   2HG2  THR   9          2HG2      THR   9   5.077 -10.886  -1.246
   67   3HG2  THR   9          3HG2      THR   9   4.035 -11.168   0.147
   68    H    TYR  10           H        TYR  10   3.411  -6.221  -2.877
   69    HA   TYR  10           HA       TYR  10   1.176  -7.165  -4.493
   70   1HB   TYR  10          2HB       TYR  10   0.956  -5.054  -3.109
   71   2HB   TYR  10          1HB       TYR  10   2.088  -4.289  -4.221
   72    HD1  TYR  10           1HD      TYR  10  -1.313  -5.589  -3.807
   73    HD2  TYR  10           2HD      TYR  10   1.384  -3.710  -6.510
   74    HE1  TYR  10           1HE      TYR  10  -3.191  -5.032  -5.286
   75    HE2  TYR  10           2HE      TYR  10  -0.493  -3.148  -7.994
   76    HH   TYR  10           HH       TYR  10  -2.739  -3.965  -8.466
   77    H    ARG  11           H        ARG  11   1.418  -7.700  -6.470
   78    HA   ARG  11           HA       ARG  11   3.697  -6.676  -7.974
   79   1HB   ARG  11          2HB       ARG  11   3.556  -8.865  -9.208
   80   2HB   ARG  11          1HB       ARG  11   4.004  -8.953  -7.503
   81   1HG   ARG  11          2HG       ARG  11   1.759  -9.625  -6.908
   82   2HG   ARG  11          1HG       ARG  11   1.263  -9.525  -8.596
   83   1HD   ARG  11          2HD       ARG  11   2.734 -11.291  -9.202
   84   2HD   ARG  11          1HD       ARG  11   3.467 -11.324  -7.599
   85    HE   ARG  11           HE       ARG  11   1.010 -11.862  -6.947
   86   1HH1  ARG  11          1HH1      ARG  11   2.727 -13.061  -9.798
   87   2HH1  ARG  11          2HH1      ARG  11   1.945 -14.569  -9.822
   88   1HH2  ARG  11          1HH2      ARG  11  -0.093 -13.980  -7.007
   89   2HH2  ARG  11          2HH2      ARG  11   0.341 -15.103  -8.211
   90    H    GLY  12           H        GLY  12   3.369  -5.977 -10.011
   91   1HA   GLY  12          2HA       GLY  12   2.134  -5.826 -12.031
   92   2HA   GLY  12          1HA       GLY  12   0.662  -6.121 -11.113
   93    HA   PRO  13           HA       PRO  13   1.839  -1.416 -11.459
   94   1HB   PRO  13          2HB       PRO  13  -0.083  -1.425 -13.725
   95   2HB   PRO  13          1HB       PRO  13   1.434  -0.532 -13.551
   96   1HG   PRO  13          2HG       PRO  13   1.285  -2.615 -15.183
   97   2HG   PRO  13          1HG       PRO  13   2.724  -2.343 -14.180
   98   1HD   PRO  13          2HD       PRO  13   0.475  -4.278 -13.770
   99   2HD   PRO  13          1HD       PRO  13   2.225  -4.508 -13.549
  100    H    CYS  14           H        CYS  14   0.643  -0.338 -10.095
  101    HA   CYS  14           HA       CYS  14  -1.988  -1.287  -9.415
  102   1HB   CYS  14          2HB       CYS  14  -0.369  -0.921  -7.632
  103   2HB   CYS  14          1HB       CYS  14  -0.139   0.740  -8.149
  104    H    PHE  15           H        PHE  15  -3.782  -0.210  -9.853
  105    HA   PHE  15           HA       PHE  15  -3.623   2.559 -10.815
  106   1HB   PHE  15          2HB       PHE  15  -5.256   0.358 -12.083
  107   2HB   PHE  15          1HB       PHE  15  -5.384   2.058 -12.498
  108    HD1  PHE  15           1HD      PHE  15  -3.285   3.193 -13.425
  109    HD2  PHE  15           2HD      PHE  15  -3.756  -1.022 -13.164
  110    HE1  PHE  15           1HE      PHE  15  -1.537   2.896 -15.130
  111    HE2  PHE  15           2HE      PHE  15  -2.005  -1.327 -14.867
  112    HZ   PHE  15           HZ       PHE  15  -0.895   0.632 -15.851
  113    H    THR  16           H        THR  16  -4.766   0.666  -8.431
  114    HA   THR  16           HA       THR  16  -7.092   2.379  -8.062
  115    HB   THR  16           HB       THR  16  -7.288  -0.643  -7.863
  116    HG1  THR  16           1HG      THR  16  -7.531   1.080  -9.969
  117   1HG2  THR  16          1HG2      THR  16  -9.701  -0.212  -7.672
  118   2HG2  THR  16          2HG2      THR  16  -9.408   1.520  -7.758
  119   3HG2  THR  16          3HG2      THR  16  -8.823   0.595  -6.373
  120    H    THR  17           H        THR  17  -6.914   3.253  -6.069
  121    HA   THR  17           HA       THR  17  -5.233   2.340  -4.050
  122    HB   THR  17           HB       THR  17  -7.550   4.262  -4.055
  123    HG1  THR  17           1HG      THR  17  -6.046   5.442  -4.841
  124   1HG2  THR  17          1HG2      THR  17  -7.426   3.442  -1.773
  125   2HG2  THR  17          2HG2      THR  17  -6.737   5.067  -1.817
  126   3HG2  THR  17          3HG2      THR  17  -5.686   3.652  -1.741
  127    H    GLY  18           H        GLY  18  -8.626   1.702  -4.677
  128   1HA   GLY  18          2HA       GLY  18  -9.264   0.390  -2.275
  129   2HA   GLY  18          1HA       GLY  18 -10.053   0.126  -3.824
  130    H    SER  19           H        SER  19  -7.437  -0.711  -5.047
  131    HA   SER  19           HA       SER  19  -7.625  -3.491  -4.288
  132   1HB   SER  19          2HB       SER  19  -5.815  -2.161  -6.305
  133   2HB   SER  19          1HB       SER  19  -6.226  -3.876  -6.211
  134    HG   SER  19           HG       SER  19  -8.495  -2.559  -6.302
  135    H    CYS  20           H        CYS  20  -5.348  -0.817  -4.166
  136    HA   CYS  20           HA       CYS  20  -3.144  -2.208  -3.089
  137   1HB   CYS  20          2HB       CYS  20  -2.930   0.068  -4.141
  138   2HB   CYS  20          1HB       CYS  20  -3.882   0.714  -2.849
  139    H    ASP  21           H        ASP  21  -5.631  -0.171  -1.544
  140    HA   ASP  21           HA       ASP  21  -4.879  -0.424   1.117
  141   1HB   ASP  21          2HB       ASP  21  -6.464   1.208   0.465
  142   2HB   ASP  21          1HB       ASP  21  -7.577  -0.000  -0.177
  143    H    ASP  22           H        ASP  22  -7.034  -2.389  -0.809
  144    HA   ASP  22           HA       ASP  22  -7.860  -4.226   1.103
  145   1HB   ASP  22          2HB       ASP  22  -8.832  -4.141  -1.126
  146   2HB   ASP  22          1HB       ASP  22  -7.303  -4.653  -1.831
  147    H    HIS  23           H        HIS  23  -5.066  -4.308  -1.034
  148    HA   HIS  23           HA       HIS  23  -4.063  -6.796  -0.153
  149   1HB   HIS  23          2HB       HIS  23  -3.377  -5.903  -2.304
  150   2HB   HIS  23          1HB       HIS  23  -2.672  -4.493  -1.529
  151    HD1  HIS  23           1HD      HIS  23  -2.044  -8.157  -2.111
  152    HD2  HIS  23           2HD      HIS  23  -0.138  -4.841  -0.505
  153    HE1  HIS  23           1HE      HIS  23   0.330  -8.863  -1.712
  154    HE2  HIS  23           2HE      HIS  23   1.357  -6.884  -0.486
  155    H    CYS  24           H        CYS  24  -3.249  -3.489   0.763
  156    HA   CYS  24           HA       CYS  24  -1.170  -4.224   2.478
  157   1HB   CYS  24          2HB       CYS  24  -2.873  -1.732   2.456
  158   2HB   CYS  24          1HB       CYS  24  -1.391  -1.898   3.381
  159    H    LYS  25           H        LYS  25  -4.686  -4.095   3.014
  160    HA   LYS  25           HA       LYS  25  -4.379  -4.387   5.820
  161   1HB   LYS  25          2HB       LYS  25  -6.562  -4.146   3.848
  162   2HB   LYS  25          1HB       LYS  25  -6.911  -4.743   5.453
  163   1HG   LYS  25          2HG       LYS  25  -6.156  -2.700   6.442
  164   2HG   LYS  25          1HG       LYS  25  -5.484  -2.150   4.906
  165   1HD   LYS  25          2HD       LYS  25  -7.693  -1.982   3.955
  166   2HD   LYS  25          1HD       LYS  25  -8.409  -2.653   5.423
  167   1HE   LYS  25          2HE       LYS  25  -7.862  -0.751   6.685
  168   2HE   LYS  25          1HE       LYS  25  -6.748  -0.154   5.459
  169   1HZ   LYS  25          1HZ       LYS  25  -8.879   1.039   5.510
  170   2HZ   LYS  25          2HZ       LYS  25  -9.688  -0.371   5.010
  171   3HZ   LYS  25          3HZ       LYS  25  -8.493   0.329   4.038
  172    H    ASN  26           H        ASN  26  -5.748  -6.420   3.138
  173    HA   ASN  26           HA       ASN  26  -6.326  -8.592   4.800
  174   1HB   ASN  26          2HB       ASN  26  -7.484  -8.201   2.738
  175   2HB   ASN  26          1HB       ASN  26  -5.982  -8.311   1.830
  176   1HD2  ASN  26          1HD2      ASN  26  -6.457  -9.962   0.606
  177   2HD2  ASN  26          2HD2      ASN  26  -6.766 -11.569   1.170
  178    H    LYS  27           H        LYS  27  -3.636  -7.909   2.592
  179    HA   LYS  27           HA       LYS  27  -2.540 -10.527   3.214
  180   1HB   LYS  27          2HB       LYS  27  -2.717  -9.387   0.866
  181   2HB   LYS  27          1HB       LYS  27  -1.276  -8.528   1.363
  182   1HG   LYS  27          2HG       LYS  27  -1.525 -11.532   1.170
  183   2HG   LYS  27          1HG       LYS  27  -0.810 -10.497  -0.057
  184   1HD   LYS  27          2HD       LYS  27   0.933  -9.847   1.521
  185   2HD   LYS  27          1HD       LYS  27   0.185 -10.853   2.766
  186   1HE   LYS  27          2HE       LYS  27   1.283 -11.833   0.132
  187   2HE   LYS  27          1HE       LYS  27   2.083 -11.982   1.694
  188   1HZ   LYS  27          1HZ       LYS  27  -0.518 -13.240   0.961
  189   2HZ   LYS  27          2HZ       LYS  27   0.242 -13.362   2.459
  190   3HZ   LYS  27          3HZ       LYS  27   0.975 -14.006   1.077
  191    H    GLU  28           H        GLU  28  -1.495  -7.100   3.321
  192    HA   GLU  28           HA       GLU  28   0.844  -8.030   4.732
  193   1HB   GLU  28          2HB       GLU  28   0.294  -5.256   3.678
  194   2HB   GLU  28          1HB       GLU  28   1.826  -5.809   4.352
  195   1HG   GLU  28          2HG       GLU  28   1.687  -7.680   2.585
  196   2HG   GLU  28          1HG       GLU  28   0.467  -6.694   1.837
  197    H    HIS  29           H        HIS  29  -2.095  -6.668   5.510
  198    HA   HIS  29           HA       HIS  29  -3.084  -6.046   7.343
  199   1HB   HIS  29          2HB       HIS  29  -0.975  -7.798   8.584
  200   2HB   HIS  29          1HB       HIS  29  -2.242  -7.045   9.550
  201    HD1  HIS  29           1HD      HIS  29  -4.693  -7.864   9.105
  202    HD2  HIS  29           2HD      HIS  29  -1.779  -9.966   7.036
  203    HE1  HIS  29           1HE      HIS  29  -5.830  -9.927   8.255
  204    HE2  HIS  29           2HE      HIS  29  -4.176 -10.772   6.602
  205    H    LEU  30           H        LEU  30  -1.673  -4.075   6.406
  206    HA   LEU  30           HA       LEU  30  -0.486  -2.716   8.714
  207   1HB   LEU  30          2HB       LEU  30  -0.292  -2.109   5.762
  208   2HB   LEU  30          1HB       LEU  30   0.430  -1.126   7.022
  209    HG   LEU  30           HG       LEU  30   1.174  -3.987   6.375
  210   1HD1  LEU  30          1HD1      LEU  30   3.296  -3.033   5.636
  211   2HD1  LEU  30          2HD1      LEU  30   2.652  -1.410   5.901
  212   3HD1  LEU  30          3HD1      LEU  30   1.941  -2.453   4.671
  213   1HD2  LEU  30          1HD2      LEU  30   1.457  -3.539   8.749
  214   2HD2  LEU  30          2HD2      LEU  30   2.344  -2.062   8.384
  215   3HD2  LEU  30          3HD2      LEU  30   3.029  -3.627   7.951
  216    H    ARG  31           H        ARG  31  -0.889  -0.076   7.877
  217    HA   ARG  31           HA       ARG  31  -3.365   0.423   9.058
  218   1HB   ARG  31          2HB       ARG  31  -1.429   1.999   9.049
  219   2HB   ARG  31          1HB       ARG  31  -1.674   2.249   7.381
  220   1HG   ARG  31          2HG       ARG  31  -2.616   4.138   8.436
  221   2HG   ARG  31          1HG       ARG  31  -3.956   3.160   7.851
  222   1HD   ARG  31          2HD       ARG  31  -2.910   3.131  10.661
  223   2HD   ARG  31          1HD       ARG  31  -4.273   4.125  10.143
  224    HE   ARG  31           HE       ARG  31  -4.686   1.353   9.569
  225   1HH1  ARG  31          1HH1      ARG  31  -4.863   3.731  12.178
  226   2HH1  ARG  31          2HH1      ARG  31  -5.924   2.808  13.131
  227   1HH2  ARG  31          1HH2      ARG  31  -6.094   0.084  10.853
  228   2HH2  ARG  31          2HH2      ARG  31  -6.663   0.642  12.347
  229    H    SER  32           H        SER  32  -2.391   1.139   5.714
  230    HA   SER  32           HA       SER  32  -4.869   0.364   4.515
  231   1HB   SER  32          2HB       SER  32  -4.131   3.311   4.561
  232   2HB   SER  32          1HB       SER  32  -5.480   2.587   3.707
  233    HG   SER  32           HG       SER  32  -5.592   1.910   6.297
  234    H    GLY  33           H        GLY  33  -4.636   1.501   2.173
  235   1HA   GLY  33          2HA       GLY  33  -1.845   1.609   1.435
  236   2HA   GLY  33          1HA       GLY  33  -2.823   0.334   0.706
  237    H    ARG  34           H        ARG  34  -1.506   2.865  -0.235
  238    HA   ARG  34           HA       ARG  34  -3.816   3.763  -1.754
  239   1HB   ARG  34          2HB       ARG  34  -1.745   5.503  -0.475
  240   2HB   ARG  34          1HB       ARG  34  -2.659   6.025  -1.888
  241   1HG   ARG  34          2HG       ARG  34  -4.666   5.667  -0.770
  242   2HG   ARG  34          1HG       ARG  34  -3.855   5.152   0.726
  243   1HD   ARG  34          2HD       ARG  34  -3.738   7.876  -0.597
  244   2HD   ARG  34          1HD       ARG  34  -4.510   7.493   0.938
  245    HE   ARG  34           HE       ARG  34  -1.733   6.839   1.011
  246   1HH1  ARG  34          1HH1      ARG  34  -3.945   9.603   1.242
  247   2HH1  ARG  34          2HH1      ARG  34  -2.807  10.599   2.020
  248   1HH2  ARG  34          1HH2      ARG  34  -0.267   8.108   2.008
  249   2HH2  ARG  34          2HH2      ARG  34  -0.580   9.733   2.489
  250    H    CYS  35           H        CYS  35  -3.613   4.364  -3.653
  251    HA   CYS  35           HA       CYS  35  -1.269   3.164  -4.945
  252   1HB   CYS  35          2HB       CYS  35  -3.581   2.273  -5.360
  253   2HB   CYS  35          1HB       CYS  35  -3.938   3.789  -6.177
  254    H    ARG  36           H        ARG  36   0.137   4.639  -5.544
  255    HA   ARG  36           HA       ARG  36  -0.901   7.318  -5.946
  256   1HB   ARG  36          2HB       ARG  36   1.963   6.627  -5.390
  257   2HB   ARG  36          1HB       ARG  36   1.210   8.216  -5.320
  258   1HG   ARG  36          2HG       ARG  36  -0.309   7.234  -3.546
  259   2HG   ARG  36          1HG       ARG  36   0.809   5.888  -3.509
  260   1HD   ARG  36          2HD       ARG  36   1.236   8.753  -2.702
  261   2HD   ARG  36          1HD       ARG  36   1.584   7.285  -1.789
  262    HE   ARG  36           HE       ARG  36   3.170   7.600  -4.161
  263   1HH1  ARG  36          1HH1      ARG  36   3.007   7.932  -0.631
  264   2HH1  ARG  36          2HH1      ARG  36   4.605   8.518  -0.486
  265   1HH2  ARG  36          1HH2      ARG  36   5.388   8.388  -3.932
  266   2HH2  ARG  36          2HH2      ARG  36   5.972   8.783  -2.379
  267    H    ASP  37           H        ASP  37   0.822   8.654  -7.389
  268    HA   ASP  37           HA       ASP  37   0.547   7.796 -10.073
  269   1HB   ASP  37          2HB       ASP  37   0.567  10.149  -9.475
  270   2HB   ASP  37          1HB       ASP  37   2.185  10.006  -8.819
  271    H    ASP  38           H        ASP  38   2.669   6.827  -7.836
  272    HA   ASP  38           HA       ASP  38   5.057   6.296  -9.314
  273   1HB   ASP  38          2HB       ASP  38   3.946   4.908  -6.861
  274   2HB   ASP  38          1HB       ASP  38   5.601   4.802  -7.445
  275    H    PHE  39           H        PHE  39   1.917   4.994  -9.254
  276    HA   PHE  39           HA       PHE  39   0.828   3.273 -10.171
  277   1HB   PHE  39          2HB       PHE  39   3.424   2.707 -11.638
  278   2HB   PHE  39          1HB       PHE  39   1.915   1.869 -11.943
  279    HD1  PHE  39           1HD      PHE  39  -0.073   3.254 -12.709
  280    HD2  PHE  39           2HD      PHE  39   3.928   4.692 -12.724
  281    HE1  PHE  39           1HE      PHE  39  -0.697   4.967 -14.357
  282    HE2  PHE  39           2HE      PHE  39   3.308   6.409 -14.365
  283    HZ   PHE  39           HZ       PHE  39   0.996   6.547 -15.187
  284    H    ARG  40           H        ARG  40   2.490   3.093  -7.772
  285    HA   ARG  40           HA       ARG  40   2.491   0.183  -7.557
  286   1HB   ARG  40          2HB       ARG  40   4.467   2.061  -6.221
  287   2HB   ARG  40          1HB       ARG  40   4.365   0.328  -5.975
  288   1HG   ARG  40          2HG       ARG  40   4.885  -0.013  -8.366
  289   2HG   ARG  40          1HG       ARG  40   5.076   1.731  -8.534
  290   1HD   ARG  40          2HD       ARG  40   7.231   0.732  -8.256
  291   2HD   ARG  40          1HD       ARG  40   6.841   1.655  -6.806
  292    HE   ARG  40           HE       ARG  40   6.049  -1.037  -6.538
  293   1HH1  ARG  40          1HH1      ARG  40   8.869   1.092  -6.333
  294   2HH1  ARG  40          2HH1      ARG  40   9.807  -0.014  -5.442
  295   1HH2  ARG  40          1HH2      ARG  40   7.367  -2.533  -5.267
  296   2HH2  ARG  40          2HH2      ARG  40   8.961  -2.074  -4.830
  297    H    CYS  41           H        CYS  41   2.139  -0.570  -5.395
  298    HA   CYS  41           HA       CYS  41   0.078   0.929  -4.094
  299   1HB   CYS  41          2HB       CYS  41  -0.289  -1.331  -4.624
  300   2HB   CYS  41          1HB       CYS  41   1.184  -1.873  -3.805
  301    H    TRP  42           H        TRP  42   0.423   2.083  -2.356
  302    HA   TRP  42           HA       TRP  42   2.914   1.791  -0.849
  303   1HB   TRP  42          2HB       TRP  42   1.183   4.152  -1.536
  304   2HB   TRP  42          1HB       TRP  42   2.294   4.200  -0.182
  305    HD1  TRP  42           HD       TRP  42   2.367   3.740  -4.031
  306    HE1  TRP  42           1HE      TRP  42   4.660   4.605  -4.861
  307    HE3  TRP  42           3HE      TRP  42   4.516   4.822   0.465
  308    HZ2  TRP  42           2HZ      TRP  42   7.042   5.590  -3.754
  309    HZ3  TRP  42           3HZ      TRP  42   6.739   5.711   0.530
  310    HH2  TRP  42           HH       TRP  42   8.027   6.106  -1.547
  311    H    CYS  43           H        CYS  43   2.467   0.743   0.975
  312    HA   CYS  43           HA       CYS  43  -0.167   0.832   2.187
  313   1HB   CYS  43          2HB       CYS  43   2.347  -0.611   3.047
  314   2HB   CYS  43          1HB       CYS  43   0.738  -0.823   3.722
  315    H    THR  44           H        THR  44  -0.620   2.014   3.990
  316    HA   THR  44           HA       THR  44   1.444   3.786   4.978
  317    HB   THR  44           HB       THR  44  -1.502   3.637   5.715
  318    HG1  THR  44           1HG      THR  44  -0.312   4.962   3.451
  319   1HG2  THR  44          1HG2      THR  44   0.485   5.924   5.737
  320   2HG2  THR  44          2HG2      THR  44  -0.076   5.030   7.152
  321   3HG2  THR  44          3HG2      THR  44  -1.205   6.023   6.237
  322    H    ARG  45           H        ARG  45   2.059   3.534   7.210
  323    HA   ARG  45           HA       ARG  45   0.661   1.424   8.669
  324   1HB   ARG  45          2HB       ARG  45   2.640   0.381   9.429
  325   2HB   ARG  45          1HB       ARG  45   2.909   0.605   7.711
  326   1HG   ARG  45          2HG       ARG  45   4.327   2.538   8.169
  327   2HG   ARG  45          1HG       ARG  45   4.011   2.377   9.898
  328   1HD   ARG  45          2HD       ARG  45   4.964   0.027   9.690
  329   2HD   ARG  45          1HD       ARG  45   5.530   0.513   8.094
  330    HE   ARG  45           HE       ARG  45   6.278   2.099  10.440
  331   1HH1  ARG  45          1HH1      ARG  45   7.345   0.040   7.729
  332   2HH1  ARG  45          2HH1      ARG  45   8.987   0.195   8.090
  333   1HH2  ARG  45          1HH2      ARG  45   8.520   2.325  10.912
  334   2HH2  ARG  45          2HH2      ARG  45   9.686   1.555   9.927
  335    H    ASN  46           H        ASN  46   0.883   1.644  10.983
  336    HA   ASN  46           HA       ASN  46   0.725   4.242  11.922
  337   1HB   ASN  46          2HB       ASN  46   1.140   1.596  13.279
  338   2HB   ASN  46          1HB       ASN  46   0.688   3.103  14.055
  339   1HD2  ASN  46          1HD2      ASN  46  -0.688   0.568  13.970
  340   2HD2  ASN  46          2HD2      ASN  46  -2.226   0.841  13.239
  341    H    CYS  47           H        CYS  47   2.327   5.488  12.859
  342    HA   CYS  47           HA       CYS  47   4.635   4.343  13.938
  343   1HB   CYS  47          2HB       CYS  47   6.306   5.450  12.542
  344   2HB   CYS  47          1HB       CYS  47   5.299   4.472  11.490
  Start of MODEL   13
    1   1H    LYS   1          1HT       LYS   1   3.046  12.211  11.472
    2   2H    LYS   1          2HT       LYS   1   2.630  12.477  13.060
    3   3H    LYS   1          3HT       LYS   1   1.413  12.308  11.862
    4    HA   LYS   1           HA       LYS   1   3.335  10.241  12.747
    5   1HB   LYS   1          2HB       LYS   1   0.290  10.212  12.952
    6   2HB   LYS   1          1HB       LYS   1   1.376   8.939  13.428
    7   1HG   LYS   1          2HG       LYS   1   0.699   9.921  15.439
    8   2HG   LYS   1          1HG       LYS   1   2.318  10.541  15.163
    9   1HD   LYS   1          2HD       LYS   1   0.907  12.324  15.949
   10   2HD   LYS   1          1HD       LYS   1   1.315  12.627  14.264
   11   1HE   LYS   1          2HE       LYS   1  -0.885  11.737  13.580
   12   2HE   LYS   1          1HE       LYS   1  -1.260  11.423  15.273
   13   1HZ   LYS   1          1HZ       LYS   1  -2.253  13.483  14.469
   14   2HZ   LYS   1          2HZ       LYS   1  -0.722  14.090  14.101
   15   3HZ   LYS   1          3HZ       LYS   1  -1.138  13.780  15.705
   16    H    THR   2           H        THR   2   2.178   8.091  11.931
   17    HA   THR   2           HA       THR   2   1.780   6.659  10.359
   18    HB   THR   2           HB       THR   2   0.464   7.167   8.293
   19    HG1  THR   2           1HG      THR   2   1.046   9.728   8.979
   20   1HG2  THR   2          1HG2      THR   2  -0.666   6.509  10.345
   21   2HG2  THR   2          2HG2      THR   2  -1.641   7.664   9.449
   22   3HG2  THR   2          3HG2      THR   2  -0.733   8.192  10.865
   23    H    CYS   3           H        CYS   3   2.870   5.600   8.963
   24    HA   CYS   3           HA       CYS   3   4.804   7.074   7.342
   25   1HB   CYS   3          2HB       CYS   3   5.230   4.490   8.879
   26   2HB   CYS   3          1HB       CYS   3   6.372   5.162   7.723
   27    H    GLU   4           H        GLU   4   5.302   5.956   5.298
   28    HA   GLU   4           HA       GLU   4   3.312   3.930   4.657
   29   1HB   GLU   4          2HB       GLU   4   2.651   6.287   3.938
   30   2HB   GLU   4          1HB       GLU   4   4.038   6.245   2.875
   31   1HG   GLU   4          2HG       GLU   4   3.118   4.371   1.677
   32   2HG   GLU   4          1HG       GLU   4   1.770   4.306   2.801
   33    H    ASN   5           H        ASN   5   4.005   2.459   3.106
   34    HA   ASN   5           HA       ASN   5   6.546   2.744   1.769
   35   1HB   ASN   5          2HB       ASN   5   6.994   1.808   4.199
   36   2HB   ASN   5          1HB       ASN   5   6.199   0.366   3.566
   37   1HD2  ASN   5          1HD2      ASN   5   8.988   2.419   3.319
   38   2HD2  ASN   5          2HD2      ASN   5   9.985   1.307   2.464
   39    H    LEU   6           H        LEU   6   6.881   0.810   0.429
   40    HA   LEU   6           HA       LEU   6   4.720   0.464  -1.229
   41   1HB   LEU   6          2HB       LEU   6   7.302  -0.927  -0.798
   42   2HB   LEU   6          1HB       LEU   6   6.218  -1.236  -2.129
   43    HG   LEU   6           HG       LEU   6   7.459   1.461  -1.611
   44   1HD1  LEU   6          1HD1      LEU   6   8.333  -0.755  -3.456
   45   2HD1  LEU   6          2HD1      LEU   6   9.216  -0.169  -2.040
   46   3HD1  LEU   6          3HD1      LEU   6   8.973   0.883  -3.437
   47   1HD2  LEU   6          1HD2      LEU   6   5.419   1.470  -2.953
   48   2HD2  LEU   6          2HD2      LEU   6   6.118   0.249  -4.019
   49   3HD2  LEU   6          3HD2      LEU   6   6.834   1.855  -3.930
   50    H    ALA   7           H        ALA   7   3.330  -1.236  -1.455
   51    HA   ALA   7           HA       ALA   7   3.057  -3.174   0.632
   52   1HB   ALA   7          1HB       ALA   7   1.107  -2.465  -0.647
   53   2HB   ALA   7          2HB       ALA   7   1.398  -4.186  -0.915
   54   3HB   ALA   7          3HB       ALA   7   1.869  -3.008  -2.139
   55    H    ASN   8           H        ASN   8   4.515  -4.701   0.812
   56    HA   ASN   8           HA       ASN   8   6.272  -5.141  -1.424
   57   1HB   ASN   8          2HB       ASN   8   7.729  -6.441   0.088
   58   2HB   ASN   8          1HB       ASN   8   7.382  -4.830   0.692
   59   1HD2  ASN   8          1HD2      ASN   8   6.175  -4.607   2.553
   60   2HD2  ASN   8          2HD2      ASN   8   5.813  -5.918   3.594
   61    H    THR   9           H        THR   9   3.478  -6.601  -0.490
   62    HA   THR   9           HA       THR   9   4.358  -8.867  -2.088
   63    HB   THR   9           HB       THR   9   2.286 -10.095  -1.142
   64    HG1  THR   9           1HG      THR   9   2.557  -7.919   0.652
   65   1HG2  THR   9          1HG2      THR   9   4.552 -10.785  -0.652
   66   2HG2  THR   9          2HG2      THR   9   3.588 -10.864   0.824
   67   3HG2  THR   9          3HG2      THR   9   4.707  -9.524   0.566
   68    H    TYR  10           H        TYR  10   3.036  -6.176  -2.620
   69    HA   TYR  10           HA       TYR  10   0.950  -7.216  -4.415
   70   1HB   TYR  10          2HB       TYR  10   0.405  -5.244  -2.928
   71   2HB   TYR  10          1HB       TYR  10   1.586  -4.305  -3.828
   72    HD1  TYR  10           1HD      TYR  10   1.088  -4.268  -6.498
   73    HD2  TYR  10           2HD      TYR  10  -1.822  -5.050  -3.495
   74    HE1  TYR  10           1HE      TYR  10  -0.687  -3.538  -8.036
   75    HE2  TYR  10           2HE      TYR  10  -3.604  -4.340  -5.033
   76    HH   TYR  10           HH       TYR  10  -3.138  -3.923  -8.331
   77    H    ARG  11           H        ARG  11   2.232  -8.065  -5.856
   78    HA   ARG  11           HA       ARG  11   4.421  -6.502  -6.947
   79   1HB   ARG  11          2HB       ARG  11   4.786  -8.849  -6.191
   80   2HB   ARG  11          1HB       ARG  11   3.685  -9.379  -7.452
   81   1HG   ARG  11          2HG       ARG  11   5.185  -8.542  -9.155
   82   2HG   ARG  11          1HG       ARG  11   6.265  -7.915  -7.904
   83   1HD   ARG  11          2HD       ARG  11   5.543 -10.805  -8.328
   84   2HD   ARG  11          1HD       ARG  11   7.063 -10.046  -8.793
   85    HE   ARG  11           HE       ARG  11   6.998  -9.510  -6.188
   86   1HH1  ARG  11          1HH1      ARG  11   6.400 -12.554  -7.912
   87   2HH1  ARG  11          2HH1      ARG  11   6.914 -13.537  -6.617
   88   1HH2  ARG  11          1HH2      ARG  11   7.752 -10.887  -4.440
   89   2HH2  ARG  11          2HH2      ARG  11   7.666 -12.581  -4.610
   90    H    GLY  12           H        GLY  12   4.366  -5.657  -8.903
   91   1HA   GLY  12          2HA       GLY  12   3.687  -5.862 -11.229
   92   2HA   GLY  12          1HA       GLY  12   2.097  -6.345 -10.640
   93    HA   PRO  13           HA       PRO  13   2.213  -1.724 -11.152
   94   1HB   PRO  13          2HB       PRO  13   0.264  -1.895 -13.263
   95   2HB   PRO  13          1HB       PRO  13   1.923  -1.307 -13.362
   96   1HG   PRO  13          2HG       PRO  13   1.023  -3.608 -14.571
   97   2HG   PRO  13          1HG       PRO  13   2.710  -3.303 -14.128
   98   1HD   PRO  13          2HD       PRO  13   0.640  -4.918 -12.698
   99   2HD   PRO  13          1HD       PRO  13   2.374  -5.249 -12.925
  100    H    CYS  14           H        CYS  14   0.915  -0.634  -9.945
  101    HA   CYS  14           HA       CYS  14  -1.675  -1.669  -9.160
  102   1HB   CYS  14          2HB       CYS  14  -0.144  -0.982  -7.394
  103   2HB   CYS  14          1HB       CYS  14   0.036   0.602  -8.136
  104    H    PHE  15           H        PHE  15  -3.499  -0.459  -9.442
  105    HA   PHE  15           HA       PHE  15  -3.266   1.833 -11.263
  106   1HB   PHE  15          2HB       PHE  15  -5.346  -0.353 -11.491
  107   2HB   PHE  15          1HB       PHE  15  -5.204   1.060 -12.530
  108    HD1  PHE  15           1HD      PHE  15  -4.172  -2.308 -11.978
  109    HD2  PHE  15           2HD      PHE  15  -3.061   1.313 -13.903
  110    HE1  PHE  15           1HE      PHE  15  -2.638  -3.554 -13.430
  111    HE2  PHE  15           2HE      PHE  15  -1.529   0.075 -15.362
  112    HZ   PHE  15           HZ       PHE  15  -1.313  -2.366 -15.125
  113    H    THR  16           H        THR  16  -5.529   0.126  -9.064
  114    HA   THR  16           HA       THR  16  -6.728   2.707  -8.473
  115    HB   THR  16           HB       THR  16  -8.575   1.079  -7.606
  116    HG1  THR  16           1HG      THR  16  -7.923  -0.957  -7.939
  117   1HG2  THR  16          1HG2      THR  16  -8.864   2.619  -9.505
  118   2HG2  THR  16          2HG2      THR  16  -9.577   1.050  -9.880
  119   3HG2  THR  16          3HG2      THR  16  -8.006   1.492 -10.548
  120    H    THR  17           H        THR  17  -6.866   3.412  -6.419
  121    HA   THR  17           HA       THR  17  -5.164   2.474  -4.438
  122    HB   THR  17           HB       THR  17  -7.451   4.420  -4.425
  123    HG1  THR  17           1HG      THR  17  -5.908   5.446  -5.329
  124   1HG2  THR  17          1HG2      THR  17  -6.583   5.207  -2.186
  125   2HG2  THR  17          2HG2      THR  17  -5.639   3.708  -2.093
  126   3HG2  THR  17          3HG2      THR  17  -7.386   3.648  -2.160
  127    H    GLY  18           H        GLY  18  -8.562   1.788  -5.014
  128   1HA   GLY  18          2HA       GLY  18  -9.151   0.638  -2.528
  129   2HA   GLY  18          1HA       GLY  18  -9.980   0.289  -4.036
  130    H    SER  19           H        SER  19  -7.548  -0.720  -5.336
  131    HA   SER  19           HA       SER  19  -7.765  -3.437  -4.485
  132   1HB   SER  19          2HB       SER  19  -5.806  -2.210  -6.438
  133   2HB   SER  19          1HB       SER  19  -6.367  -3.886  -6.391
  134    HG   SER  19           HG       SER  19  -7.873  -3.259  -7.678
  135    H    CYS  20           H        CYS  20  -5.487  -0.828  -4.255
  136    HA   CYS  20           HA       CYS  20  -3.332  -2.256  -3.094
  137   1HB   CYS  20          2HB       CYS  20  -3.113   0.005  -4.234
  138   2HB   CYS  20          1HB       CYS  20  -4.054   0.673  -2.954
  139    H    ASP  21           H        ASP  21  -5.895  -0.190  -1.838
  140    HA   ASP  21           HA       ASP  21  -5.397  -0.233   0.885
  141   1HB   ASP  21          2HB       ASP  21  -6.894   1.314  -0.103
  142   2HB   ASP  21          1HB       ASP  21  -7.972   0.042  -0.692
  143    H    ASP  22           H        ASP  22  -7.517  -2.355  -1.018
  144    HA   ASP  22           HA       ASP  22  -8.374  -3.996   1.069
  145   1HB   ASP  22          2HB       ASP  22  -9.401  -4.074  -1.154
  146   2HB   ASP  22          1HB       ASP  22  -7.920  -4.751  -1.824
  147    H    HIS  23           H        HIS  23  -5.647  -4.407  -1.121
  148    HA   HIS  23           HA       HIS  23  -4.685  -6.814  -0.069
  149   1HB   HIS  23          2HB       HIS  23  -3.899  -6.101  -2.217
  150   2HB   HIS  23          1HB       HIS  23  -3.294  -4.587  -1.559
  151    HD1  HIS  23           1HD      HIS  23  -2.428  -8.255  -1.808
  152    HD2  HIS  23           2HD      HIS  23  -0.772  -4.699  -0.437
  153    HE1  HIS  23           1HE      HIS  23  -0.055  -8.781  -1.253
  154    HE2  HIS  23           2HE      HIS  23   0.843  -6.642  -0.207
  155    H    CYS  24           H        CYS  24  -3.783  -3.485   0.731
  156    HA   CYS  24           HA       CYS  24  -1.770  -4.166   2.561
  157   1HB   CYS  24          2HB       CYS  24  -3.414  -1.670   2.241
  158   2HB   CYS  24          1HB       CYS  24  -2.053  -1.778   3.347
  159    H    LYS  25           H        LYS  25  -5.301  -3.677   3.059
  160    HA   LYS  25           HA       LYS  25  -5.101  -3.816   5.844
  161   1HB   LYS  25          2HB       LYS  25  -7.252  -4.007   3.793
  162   2HB   LYS  25          1HB       LYS  25  -7.572  -4.230   5.495
  163   1HG   LYS  25          2HG       LYS  25  -6.859  -1.970   5.969
  164   2HG   LYS  25          1HG       LYS  25  -6.322  -1.767   4.299
  165   1HD   LYS  25          2HD       LYS  25  -8.608  -2.015   3.513
  166   2HD   LYS  25          1HD       LYS  25  -9.159  -2.292   5.164
  167   1HE   LYS  25          2HE       LYS  25  -8.580  -0.060   5.799
  168   2HE   LYS  25          1HE       LYS  25  -7.773   0.221   4.259
  169   1HZ   LYS  25          1HZ       LYS  25 -10.681  -0.313   4.549
  170   2HZ   LYS  25          2HZ       LYS  25  -9.822   0.053   3.127
  171   3HZ   LYS  25          3HZ       LYS  25  -9.993   1.217   4.315
  172    H    ASN  26           H        ASN  26  -6.218  -6.110   3.288
  173    HA   ASN  26           HA       ASN  26  -6.923  -8.178   5.005
  174   1HB   ASN  26          2HB       ASN  26  -7.826  -7.911   2.793
  175   2HB   ASN  26          1HB       ASN  26  -6.226  -8.060   2.085
  176   1HD2  ASN  26          1HD2      ASN  26  -6.715  -9.755   0.828
  177   2HD2  ASN  26          2HD2      ASN  26  -7.022 -11.329   1.453
  178    H    LYS  27           H        LYS  27  -4.012  -7.711   2.986
  179    HA   LYS  27           HA       LYS  27  -2.961 -10.202   4.070
  180   1HB   LYS  27          2HB       LYS  27  -3.041  -9.748   1.585
  181   2HB   LYS  27          1HB       LYS  27  -1.812  -8.526   1.830
  182   1HG   LYS  27          2HG       LYS  27  -1.438 -11.461   2.481
  183   2HG   LYS  27          1HG       LYS  27  -0.956 -10.720   0.964
  184   1HD   LYS  27          2HD       LYS  27   0.639  -9.327   2.123
  185   2HD   LYS  27          1HD       LYS  27   0.083  -9.932   3.684
  186   1HE   LYS  27          2HE       LYS  27   0.776 -12.200   2.979
  187   2HE   LYS  27          1HE       LYS  27   1.441 -11.501   1.503
  188   1HZ   LYS  27          1HZ       LYS  27   2.955 -10.193   2.827
  189   2HZ   LYS  27          2HZ       LYS  27   3.100 -11.826   3.272
  190   3HZ   LYS  27          3HZ       LYS  27   2.244 -10.760   4.243
  191    H    GLU  28           H        GLU  28  -1.977  -6.773   3.729
  192    HA   GLU  28           HA       GLU  28   0.396  -7.556   5.148
  193   1HB   GLU  28          2HB       GLU  28  -0.139  -4.916   3.777
  194   2HB   GLU  28          1HB       GLU  28   1.396  -5.369   4.530
  195   1HG   GLU  28          2HG       GLU  28   1.226  -7.468   3.025
  196   2HG   GLU  28          1HG       GLU  28   0.071  -6.539   2.115
  197    H    HIS  29           H        HIS  29  -2.493  -6.464   5.930
  198    HA   HIS  29           HA       HIS  29  -3.496  -6.124   7.877
  199   1HB   HIS  29          2HB       HIS  29  -0.819  -6.685   9.189
  200   2HB   HIS  29          1HB       HIS  29  -2.383  -6.745   9.982
  201    HD1  HIS  29           1HD      HIS  29   0.065  -8.899   8.673
  202    HD2  HIS  29           2HD      HIS  29  -4.081  -8.869   8.469
  203    HE1  HIS  29           1HE      HIS  29  -0.587 -11.224   8.053
  204    HE2  HIS  29           2HE      HIS  29  -3.039 -11.089   7.625
  205    H    LEU  30           H        LEU  30  -2.173  -3.921   6.507
  206    HA   LEU  30           HA       LEU  30  -1.397  -2.208   8.717
  207   1HB   LEU  30          2HB       LEU  30  -1.008  -1.825   5.755
  208   2HB   LEU  30          1HB       LEU  30  -0.478  -0.686   6.979
  209    HG   LEU  30           HG       LEU  30   0.536  -3.513   6.617
  210   1HD1  LEU  30          1HD1      LEU  30   1.869  -0.867   6.147
  211   2HD1  LEU  30          2HD1      LEU  30   1.447  -2.098   4.948
  212   3HD1  LEU  30          3HD1      LEU  30   2.682  -2.429   6.155
  213   1HD2  LEU  30          1HD2      LEU  30   1.295  -1.454   8.688
  214   2HD2  LEU  30          2HD2      LEU  30   2.176  -2.943   8.367
  215   3HD2  LEU  30          3HD2      LEU  30   0.524  -3.017   8.973
  216    H    ARG  31           H        ARG  31  -1.957   0.294   7.661
  217    HA   ARG  31           HA       ARG  31  -4.555   0.602   8.792
  218   1HB   ARG  31          2HB       ARG  31  -2.423   2.196   8.656
  219   2HB   ARG  31          1HB       ARG  31  -3.147   2.665   7.187
  220   1HG   ARG  31          2HG       ARG  31  -5.178   3.423   8.256
  221   2HG   ARG  31          1HG       ARG  31  -4.543   2.918   9.831
  222   1HD   ARG  31          2HD       ARG  31  -2.640   4.435   9.534
  223   2HD   ARG  31          1HD       ARG  31  -3.308   4.976   8.001
  224    HE   ARG  31           HE       ARG  31  -4.715   5.312  10.551
  225   1HH1  ARG  31          1HH1      ARG  31  -3.747   6.626   7.416
  226   2HH1  ARG  31          2HH1      ARG  31  -4.125   8.237   7.779
  227   1HH2  ARG  31          1HH2      ARG  31  -5.292   7.566  11.056
  228   2HH2  ARG  31          2HH2      ARG  31  -5.079   8.768   9.880
  229    H    SER  32           H        SER  32  -3.260   1.322   5.566
  230    HA   SER  32           HA       SER  32  -5.650   0.612   4.124
  231   1HB   SER  32          2HB       SER  32  -4.712   3.494   4.103
  232   2HB   SER  32          1HB       SER  32  -6.089   2.801   3.260
  233    HG   SER  32           HG       SER  32  -6.502   2.276   5.784
  234    H    GLY  33           H        GLY  33  -5.099   1.615   1.777
  235   1HA   GLY  33          2HA       GLY  33  -2.244   1.551   1.354
  236   2HA   GLY  33          1HA       GLY  33  -3.222   0.330   0.534
  237    H    ARG  34           H        ARG  34  -1.658   2.749  -0.319
  238    HA   ARG  34           HA       ARG  34  -3.777   3.852  -2.005
  239   1HB   ARG  34          2HB       ARG  34  -1.632   5.381  -0.586
  240   2HB   ARG  34          1HB       ARG  34  -2.400   5.957  -2.068
  241   1HG   ARG  34          2HG       ARG  34  -4.482   5.909  -1.102
  242   2HG   ARG  34          1HG       ARG  34  -3.895   5.226   0.426
  243   1HD   ARG  34          2HD       ARG  34  -3.205   7.948  -0.726
  244   2HD   ARG  34          1HD       ARG  34  -4.234   7.651   0.672
  245    HE   ARG  34           HE       ARG  34  -1.430   6.765   0.751
  246   1HH1  ARG  34          1HH1      ARG  34  -3.924   8.965   2.025
  247   2HH1  ARG  34          2HH1      ARG  34  -2.936   9.461   3.326
  248   1HH2  ARG  34          1HH2      ARG  34  -0.199   7.450   2.449
  249   2HH2  ARG  34          2HH2      ARG  34  -0.755   8.638   3.577
  250    H    CYS  35           H        CYS  35  -3.437   4.340  -3.851
  251    HA   CYS  35           HA       CYS  35  -1.190   2.857  -4.982
  252   1HB   CYS  35          2HB       CYS  35  -3.582   2.381  -5.637
  253   2HB   CYS  35          1HB       CYS  35  -3.583   3.946  -6.447
  254    H    ARG  36           H        ARG  36   0.441   3.963  -5.833
  255    HA   ARG  36           HA       ARG  36  -0.039   6.800  -6.148
  256   1HB   ARG  36          2HB       ARG  36   2.471   5.385  -5.250
  257   2HB   ARG  36          1HB       ARG  36   2.416   7.103  -5.656
  258   1HG   ARG  36          2HG       ARG  36   0.782   7.525  -3.949
  259   2HG   ARG  36          1HG       ARG  36   0.627   5.818  -3.611
  260   1HD   ARG  36          2HD       ARG  36   1.927   7.002  -1.907
  261   2HD   ARG  36          1HD       ARG  36   2.855   5.757  -2.718
  262    HE   ARG  36           HE       ARG  36   3.421   8.082  -4.049
  263   1HH1  ARG  36          1HH1      ARG  36   3.562   7.082  -0.639
  264   2HH1  ARG  36          2HH1      ARG  36   5.033   7.876  -0.341
  265   1HH2  ARG  36          1HH2      ARG  36   5.454   9.134  -3.627
  266   2HH2  ARG  36          2HH2      ARG  36   6.142   9.058  -2.064
  267    H    ASP  37           H        ASP  37   1.505   7.895  -7.640
  268    HA   ASP  37           HA       ASP  37   0.619   7.057 -10.188
  269   1HB   ASP  37          2HB       ASP  37   0.841   9.409  -9.391
  270   2HB   ASP  37          1HB       ASP  37   2.583   9.253  -9.546
  271    H    ASP  38           H        ASP  38   3.378   6.185  -8.537
  272    HA   ASP  38           HA       ASP  38   4.995   5.699 -10.905
  273   1HB   ASP  38          2HB       ASP  38   6.004   6.441  -8.724
  274   2HB   ASP  38          1HB       ASP  38   5.548   4.889  -8.039
  275    H    PHE  39           H        PHE  39   2.365   4.334  -9.958
  276    HA   PHE  39           HA       PHE  39   1.261   2.461 -10.481
  277   1HB   PHE  39          2HB       PHE  39   3.823   1.650 -11.857
  278   2HB   PHE  39          1HB       PHE  39   2.395   0.633 -11.834
  279    HD1  PHE  39           1HD      PHE  39   4.060   3.407 -13.392
  280    HD2  PHE  39           2HD      PHE  39   0.294   1.487 -12.908
  281    HE1  PHE  39           1HE      PHE  39   3.225   4.545 -15.403
  282    HE2  PHE  39           2HE      PHE  39  -0.550   2.621 -14.919
  283    HZ   PHE  39           HZ       PHE  39   0.915   4.150 -16.171
  284    H    ARG  40           H        ARG  40   2.915   2.714  -8.015
  285    HA   ARG  40           HA       ARG  40   2.744  -0.130  -7.442
  286   1HB   ARG  40          2HB       ARG  40   4.815   1.737  -6.290
  287   2HB   ARG  40          1HB       ARG  40   4.500   0.123  -5.673
  288   1HG   ARG  40          2HG       ARG  40   4.999  -0.704  -8.026
  289   2HG   ARG  40          1HG       ARG  40   5.628   0.916  -8.334
  290   1HD   ARG  40          2HD       ARG  40   7.446  -0.583  -7.715
  291   2HD   ARG  40          1HD       ARG  40   7.210   0.629  -6.456
  292    HE   ARG  40           HE       ARG  40   5.697  -1.388  -5.564
  293   1HH1  ARG  40          1HH1      ARG  40   9.069  -1.433  -6.683
  294   2HH1  ARG  40          2HH1      ARG  40   9.504  -2.721  -5.655
  295   1HH2  ARG  40          1HH2      ARG  40   6.326  -3.128  -4.202
  296   2HH2  ARG  40          2HH2      ARG  40   7.945  -3.696  -4.229
  297    H    CYS  41           H        CYS  41   2.045  -0.807  -5.506
  298    HA   CYS  41           HA       CYS  41   0.112   0.880  -4.236
  299   1HB   CYS  41          2HB       CYS  41  -0.472  -1.335  -4.770
  300   2HB   CYS  41          1HB       CYS  41   0.950  -2.008  -3.984
  301    H    TRP  42           H        TRP  42   0.375   1.829  -2.328
  302    HA   TRP  42           HA       TRP  42   2.775   1.262  -0.747
  303   1HB   TRP  42          2HB       TRP  42   1.371   3.849  -1.384
  304   2HB   TRP  42          1HB       TRP  42   2.458   3.682  -0.021
  305    HD1  TRP  42           HD       TRP  42   2.568   3.384  -3.911
  306    HE1  TRP  42           1HE      TRP  42   4.929   4.123  -4.657
  307    HE3  TRP  42           3HE      TRP  42   4.706   4.147   0.672
  308    HZ2  TRP  42           2HZ      TRP  42   7.329   4.940  -3.468
  309    HZ3  TRP  42           3HZ      TRP  42   6.996   4.923   0.786
  310    HH2  TRP  42           HH       TRP  42   8.302   5.313  -1.251
  311    H    CYS  43           H        CYS  43   2.232   0.526   1.196
  312    HA   CYS  43           HA       CYS  43  -0.520   0.728   2.076
  313   1HB   CYS  43          2HB       CYS  43   1.837  -0.745   3.250
  314   2HB   CYS  43          1HB       CYS  43   0.176  -0.831   3.831
  315    H    THR  44           H        THR  44  -1.152   2.075   3.696
  316    HA   THR  44           HA       THR  44   0.847   3.890   4.751
  317    HB   THR  44           HB       THR  44  -2.174   3.949   5.058
  318    HG1  THR  44           1HG      THR  44  -0.591   5.025   2.895
  319   1HG2  THR  44          1HG2      THR  44  -0.892   5.428   6.538
  320   2HG2  THR  44          2HG2      THR  44  -1.808   6.368   5.358
  321   3HG2  THR  44          3HG2      THR  44  -0.073   6.132   5.143
  322    H    ARG  45           H        ARG  45   1.333   3.721   6.977
  323    HA   ARG  45           HA       ARG  45  -0.399   1.962   8.505
  324   1HB   ARG  45          2HB       ARG  45   1.543   0.803   9.483
  325   2HB   ARG  45          1HB       ARG  45   1.344   0.511   7.765
  326   1HG   ARG  45          2HG       ARG  45   3.179   2.133   7.314
  327   2HG   ARG  45          1HG       ARG  45   3.367   2.334   9.056
  328   1HD   ARG  45          2HD       ARG  45   3.856  -0.025   9.308
  329   2HD   ARG  45          1HD       ARG  45   3.623  -0.282   7.586
  330    HE   ARG  45           HE       ARG  45   5.566   1.479   7.502
  331   1HH1  ARG  45          1HH1      ARG  45   5.238  -1.196   9.801
  332   2HH1  ARG  45          2HH1      ARG  45   6.891  -1.542   9.877
  333   1HH2  ARG  45          1HH2      ARG  45   7.847   1.029   7.608
  334   2HH2  ARG  45          2HH2      ARG  45   8.437  -0.213   8.604
  335    H    ASN  46           H        ASN  46  -0.504   2.334  10.725
  336    HA   ASN  46           HA       ASN  46   0.009   4.890  11.583
  337   1HB   ASN  46          2HB       ASN  46  -0.854   2.315  12.784
  338   2HB   ASN  46          1HB       ASN  46  -0.360   3.619  13.842
  339   1HD2  ASN  46          1HD2      ASN  46  -2.957   2.373  13.443
  340   2HD2  ASN  46          2HD2      ASN  46  -4.045   3.632  13.008
  341    H    CYS  47           H        CYS  47   1.686   5.708  12.558
  342    HA   CYS  47           HA       CYS  47   3.921   4.164  13.422
  343   1HB   CYS  47          2HB       CYS  47   4.183   3.986  11.022
  344   2HB   CYS  47          1HB       CYS  47   3.898   5.700  10.819
  Start of MODEL   14
    1   1H    LYS   1          1HT       LYS   1   5.744   7.404  15.846
    2   2H    LYS   1          2HT       LYS   1   5.622   6.009  14.878
    3   3H    LYS   1          3HT       LYS   1   4.233   6.861  15.288
    4    HA   LYS   1           HA       LYS   1   5.025   8.740  13.958
    5   1HB   LYS   1          2HB       LYS   1   7.101   6.707  13.076
    6   2HB   LYS   1          1HB       LYS   1   6.894   8.307  12.428
    7   1HG   LYS   1          2HG       LYS   1   7.688   7.802  15.292
    8   2HG   LYS   1          1HG       LYS   1   8.844   8.015  13.983
    9   1HD   LYS   1          2HD       LYS   1   6.739  10.057  14.693
   10   2HD   LYS   1          1HD       LYS   1   8.377  10.079  15.345
   11   1HE   LYS   1          2HE       LYS   1   9.283  10.274  13.091
   12   2HE   LYS   1          1HE       LYS   1   7.665  10.205  12.406
   13   1HZ   LYS   1          1HZ       LYS   1   8.453  12.449  12.529
   14   2HZ   LYS   1          2HZ       LYS   1   8.735  12.333  14.174
   15   3HZ   LYS   1          3HZ       LYS   1   7.154  12.271  13.581
   16    H    THR   2           H        THR   2   5.131   8.294  11.389
   17    HA   THR   2           HA       THR   2   3.414   6.013  10.829
   18    HB   THR   2           HB       THR   2   2.299   7.472   9.081
   19    HG1  THR   2           1HG      THR   2   3.740   9.417  10.528
   20   1HG2  THR   2          1HG2      THR   2   0.725   8.520  10.681
   21   2HG2  THR   2          2HG2      THR   2   1.871   8.207  11.986
   22   3HG2  THR   2          3HG2      THR   2   1.121   6.860  11.125
   23    H    CYS   3           H        CYS   3   3.926   4.945   8.994
   24    HA   CYS   3           HA       CYS   3   6.059   6.046   7.338
   25   1HB   CYS   3          2HB       CYS   3   5.931   3.286   8.589
   26   2HB   CYS   3          1HB       CYS   3   7.065   3.759   7.331
   27    H    GLU   4           H        GLU   4   6.002   5.169   5.163
   28    HA   GLU   4           HA       GLU   4   3.732   3.477   4.572
   29   1HB   GLU   4          2HB       GLU   4   3.097   5.921   4.247
   30   2HB   GLU   4          1HB       GLU   4   4.333   5.986   3.012
   31   1HG   GLU   4          2HG       GLU   4   3.201   4.543   1.614
   32   2HG   GLU   4          1HG       GLU   4   2.141   3.977   2.905
   33    H    ASN   5           H        ASN   5   4.241   1.973   3.138
   34    HA   ASN   5           HA       ASN   5   6.627   2.297   1.484
   35   1HB   ASN   5          2HB       ASN   5   6.216  -0.023   3.398
   36   2HB   ASN   5          1HB       ASN   5   7.394  -0.005   2.097
   37   1HD2  ASN   5          1HD2      ASN   5   9.201   1.298   2.301
   38   2HD2  ASN   5          2HD2      ASN   5   9.682   1.994   3.795
   39    H    LEU   6           H        LEU   6   6.811   0.652  -0.116
   40    HA   LEU   6           HA       LEU   6   4.486   0.393  -1.567
   41   1HB   LEU   6          2HB       LEU   6   7.195  -0.782  -1.564
   42   2HB   LEU   6          1HB       LEU   6   6.020  -1.203  -2.786
   43    HG   LEU   6           HG       LEU   6   6.897   1.646  -2.284
   44   1HD1  LEU   6          1HD1      LEU   6   8.411   1.381  -4.190
   45   2HD1  LEU   6          2HD1      LEU   6   8.020  -0.338  -4.263
   46   3HD1  LEU   6          3HD1      LEU   6   8.873   0.314  -2.865
   47   1HD2  LEU   6          1HD2      LEU   6   5.622   0.261  -4.631
   48   2HD2  LEU   6          2HD2      LEU   6   6.081   1.962  -4.562
   49   3HD2  LEU   6          3HD2      LEU   6   4.811   1.349  -3.503
   50    H    ALA   7           H        ALA   7   3.069  -1.289  -1.768
   51    HA   ALA   7           HA       ALA   7   2.709  -3.143   0.270
   52   1HB   ALA   7          1HB       ALA   7   1.112  -4.206  -1.287
   53   2HB   ALA   7          2HB       ALA   7   1.734  -3.160  -2.575
   54   3HB   ALA   7          3HB       ALA   7   0.918  -2.457  -1.186
   55    H    ASN   8           H        ASN   8   3.471  -5.090   0.628
   56    HA   ASN   8           HA       ASN   8   5.887  -5.813  -0.720
   57   1HB   ASN   8          2HB       ASN   8   4.419  -7.208   1.524
   58   2HB   ASN   8          1HB       ASN   8   6.037  -7.603   0.961
   59   1HD2  ASN   8          1HD2      ASN   8   4.079  -5.332   2.672
   60   2HD2  ASN   8          2HD2      ASN   8   5.364  -4.439   3.403
   61    H    THR   9           H        THR   9   2.601  -6.904  -0.697
   62    HA   THR   9           HA       THR   9   3.481  -9.124  -2.391
   63    HB   THR   9           HB       THR   9   1.317 -10.272  -1.724
   64    HG1  THR   9           1HG      THR   9   1.399  -8.138   0.160
   65   1HG2  THR   9          1HG2      THR   9   3.340  -9.665   0.436
   66   2HG2  THR   9          2HG2      THR   9   3.508 -10.903  -0.811
   67   3HG2  THR   9          3HG2      THR   9   2.237 -11.039   0.403
   68    H    TYR  10           H        TYR  10   2.391  -6.296  -2.864
   69    HA   TYR  10           HA       TYR  10   0.397  -7.078  -4.885
   70   1HB   TYR  10          2HB       TYR  10  -0.167  -5.092  -3.415
   71   2HB   TYR  10          1HB       TYR  10   1.228  -4.272  -4.110
   72    HD1  TYR  10           1HD      TYR  10   1.196  -3.547  -6.458
   73    HD2  TYR  10           2HD      TYR  10  -2.220  -5.305  -4.644
   74    HE1  TYR  10           1HE      TYR  10  -0.188  -2.721  -8.294
   75    HE2  TYR  10           2HE      TYR  10  -3.624  -4.474  -6.489
   76    HH   TYR  10           HH       TYR  10  -2.235  -3.189  -9.357
   77    H    ARG  11           H        ARG  11   1.361  -7.715  -6.640
   78    HA   ARG  11           HA       ARG  11   3.846  -6.376  -7.397
   79   1HB   ARG  11          2HB       ARG  11   3.916  -8.801  -6.785
   80   2HB   ARG  11          1HB       ARG  11   2.864  -9.115  -8.151
   81   1HG   ARG  11          2HG       ARG  11   4.548  -8.462  -9.695
   82   2HG   ARG  11          1HG       ARG  11   5.570  -7.850  -8.387
   83   1HD   ARG  11          2HD       ARG  11   4.749 -10.724  -8.802
   84   2HD   ARG  11          1HD       ARG  11   6.344 -10.044  -9.115
   85    HE   ARG  11           HE       ARG  11   6.462  -9.529  -6.718
   86   1HH1  ARG  11          1HH1      ARG  11   4.244 -12.083  -7.759
   87   2HH1  ARG  11          2HH1      ARG  11   4.267 -12.925  -6.284
   88   1HH2  ARG  11          1HH2      ARG  11   6.463 -10.675  -4.648
   89   2HH2  ARG  11          2HH2      ARG  11   5.561 -12.103  -4.468
   90    H    GLY  12           H        GLY  12   3.893  -5.316  -9.262
   91   1HA   GLY  12          2HA       GLY  12   3.328  -5.165 -11.576
   92   2HA   GLY  12          1HA       GLY  12   1.735  -5.799 -11.182
   93    HA   PRO  13           HA       PRO  13   1.624  -1.085 -11.309
   94   1HB   PRO  13          2HB       PRO  13  -0.397  -1.613 -13.404
   95   2HB   PRO  13          1HB       PRO  13   0.940  -0.457 -13.401
   96   1HG   PRO  13          2HG       PRO  13   1.048  -2.642 -14.916
   97   2HG   PRO  13          1HG       PRO  13   2.489  -2.045 -14.071
   98   1HD   PRO  13          2HD       PRO  13   0.645  -4.275 -13.318
   99   2HD   PRO  13          1HD       PRO  13   2.422  -4.245 -13.315
  100    H    CYS  14           H        CYS  14   0.024   0.117 -10.490
  101    HA   CYS  14           HA       CYS  14  -2.398  -1.189  -9.491
  102   1HB   CYS  14          2HB       CYS  14  -0.821  -0.748  -7.716
  103   2HB   CYS  14          1HB       CYS  14  -0.569   0.884  -8.296
  104    H    PHE  15           H        PHE  15  -4.252   0.047  -9.662
  105    HA   PHE  15           HA       PHE  15  -3.991   2.599 -11.088
  106   1HB   PHE  15          2HB       PHE  15  -6.130   0.496 -11.496
  107   2HB   PHE  15          1HB       PHE  15  -6.095   2.075 -12.264
  108    HD1  PHE  15           1HD      PHE  15  -4.354   2.594 -13.934
  109    HD2  PHE  15           2HD      PHE  15  -4.812  -1.310 -12.307
  110    HE1  PHE  15           1HE      PHE  15  -3.027   1.671 -15.787
  111    HE2  PHE  15           2HE      PHE  15  -3.484  -2.242 -14.156
  112    HZ   PHE  15           HZ       PHE  15  -2.592  -0.745 -15.900
  113    H    THR  16           H        THR  16  -5.879   0.664  -8.768
  114    HA   THR  16           HA       THR  16  -7.225   3.137  -8.036
  115    HB   THR  16           HB       THR  16  -8.982   1.526  -7.071
  116    HG1  THR  16           1HG      THR  16  -8.119  -0.216  -9.088
  117   1HG2  THR  16          1HG2      THR  16  -8.582   1.805 -10.047
  118   2HG2  THR  16          2HG2      THR  16  -9.380   2.974  -8.991
  119   3HG2  THR  16          3HG2      THR  16 -10.103   1.389  -9.260
  120    H    THR  17           H        THR  17  -7.034   3.919  -6.126
  121    HA   THR  17           HA       THR  17  -5.343   2.925  -4.151
  122    HB   THR  17           HB       THR  17  -7.395   5.107  -4.265
  123    HG1  THR  17           1HG      THR  17  -5.597   5.591  -5.390
  124   1HG2  THR  17          1HG2      THR  17  -5.653   4.419  -1.893
  125   2HG2  THR  17          2HG2      THR  17  -7.403   4.510  -1.948
  126   3HG2  THR  17          3HG2      THR  17  -6.443   5.977  -2.122
  127    H    GLY  18           H        GLY  18  -8.825   2.603  -4.638
  128   1HA   GLY  18          2HA       GLY  18  -9.537   1.622  -2.113
  129   2HA   GLY  18          1HA       GLY  18 -10.389   1.297  -3.618
  130    H    SER  19           H        SER  19  -8.176  -0.000  -4.925
  131    HA   SER  19           HA       SER  19  -8.591  -2.631  -3.881
  132   1HB   SER  19          2HB       SER  19  -6.819  -1.680  -6.147
  133   2HB   SER  19          1HB       SER  19  -7.327  -3.344  -5.849
  134    HG   SER  19           HG       SER  19  -8.621  -1.353  -7.124
  135    H    CYS  20           H        CYS  20  -6.065  -0.256  -3.968
  136    HA   CYS  20           HA       CYS  20  -3.973  -1.852  -2.975
  137   1HB   CYS  20          2HB       CYS  20  -3.572   0.350  -4.084
  138   2HB   CYS  20          1HB       CYS  20  -4.413   1.126  -2.792
  139    H    ASP  21           H        ASP  21  -6.302   0.332  -1.345
  140    HA   ASP  21           HA       ASP  21  -5.369  -0.098   1.286
  141   1HB   ASP  21          2HB       ASP  21  -6.836   1.764   0.761
  142   2HB   ASP  21          1HB       ASP  21  -8.151   0.663   0.336
  143    H    ASP  22           H        ASP  22  -7.861  -1.675  -0.598
  144    HA   ASP  22           HA       ASP  22  -8.876  -3.523   1.228
  145   1HB   ASP  22          2HB       ASP  22  -9.809  -3.154  -1.021
  146   2HB   ASP  22          1HB       ASP  22  -8.364  -3.850  -1.737
  147    H    HIS  23           H        HIS  23  -6.134  -3.728  -0.908
  148    HA   HIS  23           HA       HIS  23  -5.275  -6.312  -0.237
  149   1HB   HIS  23          2HB       HIS  23  -4.622  -5.282  -2.324
  150   2HB   HIS  23          1HB       HIS  23  -3.859  -3.948  -1.479
  151    HD1  HIS  23           1HD      HIS  23  -3.343  -7.511  -2.439
  152    HD2  HIS  23           2HD      HIS  23  -1.299  -4.450  -0.537
  153    HE1  HIS  23           1HE      HIS  23  -0.997  -8.334  -2.175
  154    HE2  HIS  23           2HE      HIS  23   0.081  -6.557  -0.694
  155    H    CYS  24           H        CYS  24  -3.997  -3.137   0.776
  156    HA   CYS  24           HA       CYS  24  -2.001  -4.179   2.432
  157   1HB   CYS  24          2HB       CYS  24  -3.338  -1.479   2.462
  158   2HB   CYS  24          1HB       CYS  24  -1.884  -1.858   3.367
  159    H    LYS  25           H        LYS  25  -5.403  -3.332   3.250
  160    HA   LYS  25           HA       LYS  25  -4.975  -3.542   5.986
  161   1HB   LYS  25          2HB       LYS  25  -7.236  -3.278   4.136
  162   2HB   LYS  25          1HB       LYS  25  -7.574  -3.868   5.744
  163   1HG   LYS  25          2HG       LYS  25  -6.545  -1.827   6.683
  164   2HG   LYS  25          1HG       LYS  25  -6.211  -1.264   5.041
  165   1HD   LYS  25          2HD       LYS  25  -8.513  -1.082   4.536
  166   2HD   LYS  25          1HD       LYS  25  -8.974  -1.968   5.983
  167   1HE   LYS  25          2HE       LYS  25  -9.427   0.407   6.269
  168   2HE   LYS  25          1HE       LYS  25  -8.159  -0.122   7.359
  169   1HZ   LYS  25          1HZ       LYS  25  -7.816   2.060   6.164
  170   2HZ   LYS  25          2HZ       LYS  25  -7.477   1.166   4.769
  171   3HZ   LYS  25          3HZ       LYS  25  -6.559   0.970   6.171
  172    H    ASN  26           H        ASN  26  -6.543  -5.850   3.659
  173    HA   ASN  26           HA       ASN  26  -6.867  -7.721   5.796
  174   1HB   ASN  26          2HB       ASN  26  -8.570  -7.431   4.109
  175   2HB   ASN  26          1HB       ASN  26  -7.399  -7.820   2.858
  176   1HD2  ASN  26          1HD2      ASN  26  -8.540  -9.466   2.087
  177   2HD2  ASN  26          2HD2      ASN  26  -8.741 -10.964   2.910
  178    H    LYS  27           H        LYS  27  -5.027  -7.628   2.743
  179    HA   LYS  27           HA       LYS  27  -3.909 -10.210   3.147
  180   1HB   LYS  27          2HB       LYS  27  -4.274  -9.394   0.899
  181   2HB   LYS  27          1HB       LYS  27  -3.251  -8.003   1.192
  182   1HG   LYS  27          2HG       LYS  27  -2.104  -9.600  -0.197
  183   2HG   LYS  27          1HG       LYS  27  -1.307  -9.501   1.370
  184   1HD   LYS  27          2HD       LYS  27  -2.483 -11.555   2.066
  185   2HD   LYS  27          1HD       LYS  27  -3.222 -11.652   0.468
  186   1HE   LYS  27          2HE       LYS  27  -1.031 -11.846  -0.563
  187   2HE   LYS  27          1HE       LYS  27  -0.256 -11.683   1.009
  188   1HZ   LYS  27          1HZ       LYS  27  -0.356 -13.986   0.373
  189   2HZ   LYS  27          2HZ       LYS  27  -2.007 -13.896   0.111
  190   3HZ   LYS  27          3HZ       LYS  27  -1.402 -13.755   1.682
  191    H    GLU  28           H        GLU  28  -2.729  -6.903   3.680
  192    HA   GLU  28           HA       GLU  28  -0.276  -8.143   4.653
  193   1HB   GLU  28          2HB       GLU  28  -0.616  -5.345   3.599
  194   2HB   GLU  28          1HB       GLU  28   0.892  -5.994   4.236
  195   1HG   GLU  28          2HG       GLU  28   0.519  -7.889   2.514
  196   2HG   GLU  28          1HG       GLU  28  -0.608  -6.784   1.781
  197    H    HIS  29           H        HIS  29  -2.986  -6.768   5.868
  198    HA   HIS  29           HA       HIS  29  -3.666  -6.202   7.943
  199   1HB   HIS  29          2HB       HIS  29  -1.084  -7.540   8.732
  200   2HB   HIS  29          1HB       HIS  29  -2.253  -6.961   9.905
  201    HD1  HIS  29           1HD      HIS  29  -4.263  -8.414  10.343
  202    HD2  HIS  29           2HD      HIS  29  -1.946  -9.775   7.192
  203    HE1  HIS  29           1HE      HIS  29  -5.109 -10.722   9.835
  204    HE2  HIS  29           2HE      HIS  29  -3.737 -11.497   7.881
  205    H    LEU  30           H        LEU  30  -2.267  -4.195   6.489
  206    HA   LEU  30           HA       LEU  30  -0.912  -2.777   8.646
  207   1HB   LEU  30          2HB       LEU  30  -0.859  -2.260   5.679
  208   2HB   LEU  30          1HB       LEU  30  -0.005  -1.298   6.872
  209    HG   LEU  30           HG       LEU  30   0.513  -4.212   6.247
  210   1HD1  LEU  30          1HD1      LEU  30   2.170  -1.764   5.725
  211   2HD1  LEU  30          2HD1      LEU  30   1.366  -2.776   4.523
  212   3HD1  LEU  30          3HD1      LEU  30   2.694  -3.428   5.482
  213   1HD2  LEU  30          1HD2      LEU  30   2.416  -4.012   7.783
  214   2HD2  LEU  30          2HD2      LEU  30   0.880  -3.815   8.608
  215   3HD2  LEU  30          3HD2      LEU  30   1.874  -2.400   8.247
  216    H    ARG  31           H        ARG  31  -1.235  -0.154   7.796
  217    HA   ARG  31           HA       ARG  31  -3.688   0.334   9.163
  218   1HB   ARG  31          2HB       ARG  31  -1.488   1.714   9.192
  219   2HB   ARG  31          1HB       ARG  31  -2.006   2.380   7.721
  220   1HG   ARG  31          2HG       ARG  31  -4.057   3.272   8.721
  221   2HG   ARG  31          1HG       ARG  31  -3.565   2.622  10.287
  222   1HD   ARG  31          2HD       ARG  31  -1.479   3.990  10.108
  223   2HD   ARG  31          1HD       ARG  31  -2.156   4.735   8.662
  224    HE   ARG  31           HE       ARG  31  -3.826   4.869  11.022
  225   1HH1  ARG  31          1HH1      ARG  31  -1.384   6.632   9.077
  226   2HH1  ARG  31          2HH1      ARG  31  -1.706   8.107   9.858
  227   1HH2  ARG  31          1HH2      ARG  31  -4.205   6.912  12.020
  228   2HH2  ARG  31          2HH2      ARG  31  -3.322   8.284  11.528
  229    H    SER  32           H        SER  32  -2.587   1.388   5.955
  230    HA   SER  32           HA       SER  32  -5.191   0.937   4.788
  231   1HB   SER  32          2HB       SER  32  -3.959   3.705   4.772
  232   2HB   SER  32          1HB       SER  32  -5.467   3.214   4.028
  233    HG   SER  32           HG       SER  32  -5.277   4.256   6.323
  234    H    GLY  33           H        GLY  33  -4.892   1.971   2.451
  235   1HA   GLY  33          2HA       GLY  33  -2.156   1.680   1.559
  236   2HA   GLY  33          1HA       GLY  33  -3.348   0.573   0.877
  237    H    ARG  34           H        ARG  34  -1.722   2.816  -0.206
  238    HA   ARG  34           HA       ARG  34  -3.894   4.112  -1.644
  239   1HB   ARG  34          2HB       ARG  34  -1.653   5.533  -0.249
  240   2HB   ARG  34          1HB       ARG  34  -2.454   6.205  -1.666
  241   1HG   ARG  34          2HG       ARG  34  -4.494   6.161  -0.645
  242   2HG   ARG  34          1HG       ARG  34  -3.896   5.368   0.825
  243   1HD   ARG  34          2HD       ARG  34  -3.157   8.144  -0.167
  244   2HD   ARG  34          1HD       ARG  34  -4.162   7.783   1.230
  245    HE   ARG  34           HE       ARG  34  -1.583   6.587   1.472
  246   1HH1  ARG  34          1HH1      ARG  34  -3.293   9.672   1.896
  247   2HH1  ARG  34          2HH1      ARG  34  -2.129  10.300   2.967
  248   1HH2  ARG  34          1HH2      ARG  34  -0.054   7.454   2.946
  249   2HH2  ARG  34          2HH2      ARG  34  -0.270   9.025   3.614
  250    H    CYS  35           H        CYS  35  -3.562   4.764  -3.542
  251    HA   CYS  35           HA       CYS  35  -1.334   3.322  -4.790
  252   1HB   CYS  35          2HB       CYS  35  -3.635   2.545  -5.289
  253   2HB   CYS  35          1HB       CYS  35  -3.961   4.097  -6.053
  254    H    ARG  36           H        ARG  36   0.183   4.730  -4.969
  255    HA   ARG  36           HA       ARG  36  -0.263   7.500  -5.423
  256   1HB   ARG  36          2HB       ARG  36   2.241   5.848  -5.294
  257   2HB   ARG  36          1HB       ARG  36   2.270   7.563  -5.670
  258   1HG   ARG  36          2HG       ARG  36   1.174   8.042  -3.520
  259   2HG   ARG  36          1HG       ARG  36   1.156   6.325  -3.170
  260   1HD   ARG  36          2HD       ARG  36   3.014   7.650  -2.093
  261   2HD   ARG  36          1HD       ARG  36   3.505   6.212  -2.974
  262    HE   ARG  36           HE       ARG  36   3.819   8.096  -4.832
  263   1HH1  ARG  36          1HH1      ARG  36   4.878   7.973  -1.451
  264   2HH1  ARG  36          2HH1      ARG  36   6.218   8.986  -1.670
  265   1HH2  ARG  36          1HH2      ARG  36   5.718   9.458  -5.171
  266   2HH2  ARG  36          2HH2      ARG  36   6.702   9.835  -3.838
  267    H    ASP  37           H        ASP  37   1.110   8.633  -7.130
  268    HA   ASP  37           HA       ASP  37  -0.055   8.015  -9.637
  269   1HB   ASP  37          2HB       ASP  37   2.177   9.956  -9.014
  270   2HB   ASP  37          1HB       ASP  37   1.310   9.884 -10.543
  271    H    ASP  38           H        ASP  38   2.656   6.915  -8.148
  272    HA   ASP  38           HA       ASP  38   4.438   6.241 -10.237
  273   1HB   ASP  38          2HB       ASP  38   3.978   4.868  -7.581
  274   2HB   ASP  38          1HB       ASP  38   5.409   4.731  -8.587
  275    H    PHE  39           H        PHE  39   1.340   5.158  -9.572
  276    HA   PHE  39           HA       PHE  39   0.030   3.412 -10.125
  277   1HB   PHE  39          2HB       PHE  39   2.308   2.791 -12.038
  278   2HB   PHE  39          1HB       PHE  39   0.837   1.830 -11.976
  279    HD1  PHE  39           1HD      PHE  39  -1.329   2.895 -12.602
  280    HD2  PHE  39           2HD      PHE  39   2.405   4.838 -13.204
  281    HE1  PHE  39           1HE      PHE  39  -2.386   4.407 -14.225
  282    HE2  PHE  39           2HE      PHE  39   1.345   6.359 -14.829
  283    HZ   PHE  39           HZ       PHE  39  -1.047   6.145 -15.337
  284    H    ARG  40           H        ARG  40   1.612   3.339  -7.909
  285    HA   ARG  40           HA       ARG  40   1.944   0.475  -7.584
  286   1HB   ARG  40          2HB       ARG  40   3.955   2.568  -6.753
  287   2HB   ARG  40          1HB       ARG  40   3.899   0.968  -6.043
  288   1HG   ARG  40          2HG       ARG  40   4.181   1.453  -8.985
  289   2HG   ARG  40          1HG       ARG  40   5.554   1.236  -7.888
  290   1HD   ARG  40          2HD       ARG  40   3.325  -0.771  -8.336
  291   2HD   ARG  40          1HD       ARG  40   4.922  -0.865  -9.056
  292    HE   ARG  40           HE       ARG  40   5.640  -0.789  -6.563
  293   1HH1  ARG  40          1HH1      ARG  40   2.998  -2.753  -7.988
  294   2HH1  ARG  40          2HH1      ARG  40   3.108  -3.912  -6.734
  295   1HH2  ARG  40          1HH2      ARG  40   5.702  -2.452  -4.934
  296   2HH2  ARG  40          2HH2      ARG  40   4.612  -3.760  -4.985
  297    H    CYS  41           H        CYS  41   1.440  -0.341  -5.686
  298    HA   CYS  41           HA       CYS  41  -0.362   1.202  -4.061
  299   1HB   CYS  41          2HB       CYS  41  -0.989  -0.984  -4.802
  300   2HB   CYS  41          1HB       CYS  41   0.447  -1.712  -4.092
  301    H    TRP  42           H        TRP  42   0.206   2.116  -2.256
  302    HA   TRP  42           HA       TRP  42   2.652   1.317  -0.860
  303   1HB   TRP  42          2HB       TRP  42   1.264   3.974  -1.207
  304   2HB   TRP  42          1HB       TRP  42   2.448   3.689   0.053
  305    HD1  TRP  42           HD       TRP  42   2.241   3.696  -3.828
  306    HE1  TRP  42           1HE      TRP  42   4.581   4.379  -4.715
  307    HE3  TRP  42           3HE      TRP  42   4.773   3.971   0.614
  308    HZ2  TRP  42           2HZ      TRP  42   7.097   4.968  -3.675
  309    HZ3  TRP  42           3HZ      TRP  42   7.077   4.613   0.599
  310    HH2  TRP  42           HH       TRP  42   8.263   5.107  -1.501
  311    H    CYS  43           H        CYS  43   2.259   0.561   1.132
  312    HA   CYS  43           HA       CYS  43  -0.439   0.773   2.233
  313   1HB   CYS  43          2HB       CYS  43   1.898  -0.933   3.096
  314   2HB   CYS  43          1HB       CYS  43   0.259  -1.015   3.725
  315    H    THR  44           H        THR  44  -0.794   1.940   4.103
  316    HA   THR  44           HA       THR  44   1.403   3.543   5.098
  317    HB   THR  44           HB       THR  44  -1.504   3.574   5.969
  318    HG1  THR  44           1HG      THR  44  -0.375   4.943   3.695
  319   1HG2  THR  44          1HG2      THR  44  -1.032   5.943   6.437
  320   2HG2  THR  44          2HG2      THR  44   0.612   5.735   5.838
  321   3HG2  THR  44          3HG2      THR  44   0.092   4.890   7.296
  322    H    ARG  45           H        ARG  45   2.153   3.164   7.230
  323    HA   ARG  45           HA       ARG  45   0.619   1.398   8.902
  324   1HB   ARG  45          2HB       ARG  45   2.599  -0.039   9.415
  325   2HB   ARG  45          1HB       ARG  45   1.933  -0.244   7.808
  326   1HG   ARG  45          2HG       ARG  45   3.763   1.125   6.893
  327   2HG   ARG  45          1HG       ARG  45   4.434   1.281   8.519
  328   1HD   ARG  45          2HD       ARG  45   4.755  -1.099   8.669
  329   2HD   ARG  45          1HD       ARG  45   3.933  -1.350   7.135
  330    HE   ARG  45           HE       ARG  45   6.210   0.358   6.906
  331   1HH1  ARG  45          1HH1      ARG  45   5.282  -3.038   7.179
  332   2HH1  ARG  45          2HH1      ARG  45   6.552  -3.614   6.204
  333   1HH2  ARG  45          1HH2      ARG  45   7.988  -0.445   5.603
  334   2HH2  ARG  45          2HH2      ARG  45   8.119  -2.123   5.308
  335    H    ASN  46           H        ASN  46   0.904   1.674  11.055
  336    HA   ASN  46           HA       ASN  46   2.083   4.034  11.962
  337   1HB   ASN  46          2HB       ASN  46   1.074   1.566  13.382
  338   2HB   ASN  46          1HB       ASN  46   1.480   3.103  14.108
  339   1HD2  ASN  46          1HD2      ASN  46  -0.859   1.315  12.313
  340   2HD2  ASN  46          2HD2      ASN  46  -2.126   2.478  12.402
  341    H    CYS  47           H        CYS  47   4.154   4.229  12.725
  342    HA   CYS  47           HA       CYS  47   5.591   1.776  13.257
  343   1HB   CYS  47          2HB       CYS  47   7.640   2.846  12.212
  344   2HB   CYS  47          1HB       CYS  47   6.367   2.397  11.085
  Start of MODEL   15
    1   1H    LYS   1          1HT       LYS   1   6.293  11.015   9.618
    2   2H    LYS   1          2HT       LYS   1   5.997  11.863  11.035
    3   3H    LYS   1          3HT       LYS   1   4.783  11.694   9.851
    4    HA   LYS   1           HA       LYS   1   5.954   9.477  11.390
    5   1HB   LYS   1          2HB       LYS   1   3.178  10.679  11.497
    6   2HB   LYS   1          1HB       LYS   1   3.696   9.230  12.296
    7   1HG   LYS   1          2HG       LYS   1   5.236  10.443  13.706
    8   2HG   LYS   1          1HG       LYS   1   4.847  11.946  12.872
    9   1HD   LYS   1          2HD       LYS   1   3.652  11.749  15.020
   10   2HD   LYS   1          1HD       LYS   1   2.547  11.827  13.653
   11   1HE   LYS   1          2HE       LYS   1   1.830  10.162  15.300
   12   2HE   LYS   1          1HE       LYS   1   2.229   9.401  13.766
   13   1HZ   LYS   1          1HZ       LYS   1   3.034   8.217  15.716
   14   2HZ   LYS   1          2HZ       LYS   1   4.015   9.492  16.139
   15   3HZ   LYS   1          3HZ       LYS   1   4.317   8.616  14.721
   16    H    THR   2           H        THR   2   4.113   7.769  11.228
   17    HA   THR   2           HA       THR   2   3.310   6.086  10.086
   18    HB   THR   2           HB       THR   2   1.975   6.426   8.058
   19    HG1  THR   2           1HG      THR   2   3.066   8.808   8.050
   20   1HG2  THR   2          1HG2      THR   2   0.907   6.214  10.178
   21   2HG2  THR   2          2HG2      THR   2   0.075   7.509   9.312
   22   3HG2  THR   2          3HG2      THR   2   1.253   7.895  10.573
   23    H    CYS   3           H        CYS   3   4.223   4.631   9.266
   24    HA   CYS   3           HA       CYS   3   6.343   5.128   7.361
   25   1HB   CYS   3          2HB       CYS   3   5.751   2.847   9.262
   26   2HB   CYS   3          1HB       CYS   3   7.052   2.774   8.064
   27    H    GLU   4           H        GLU   4   6.301   4.174   5.364
   28    HA   GLU   4           HA       GLU   4   4.029   2.528   4.703
   29   1HB   GLU   4          2HB       GLU   4   3.402   4.963   4.613
   30   2HB   GLU   4          1HB       GLU   4   4.660   5.164   3.426
   31   1HG   GLU   4          2HG       GLU   4   3.541   3.831   1.882
   32   2HG   GLU   4          1HG       GLU   4   2.315   3.366   3.083
   33    H    ASN   5           H        ASN   5   4.575   1.172   3.102
   34    HA   ASN   5           HA       ASN   5   6.982   1.557   1.437
   35   1HB   ASN   5          2HB       ASN   5   7.541   0.256   3.648
   36   2HB   ASN   5          1HB       ASN   5   6.477  -0.969   2.936
   37   1HD2  ASN   5          1HD2      ASN   5   8.092  -2.435   2.722
   38   2HD2  ASN   5          2HD2      ASN   5   9.320  -2.272   1.513
   39    H    LEU   6           H        LEU   6   7.031  -0.209  -0.176
   40    HA   LEU   6           HA       LEU   6   4.606  -0.150  -1.516
   41   1HB   LEU   6          2HB       LEU   6   7.201  -1.539  -1.875
   42   2HB   LEU   6          1HB       LEU   6   5.873  -1.637  -3.000
   43    HG   LEU   6           HG       LEU   6   7.379   0.883  -2.267
   44   1HD1  LEU   6          1HD1      LEU   6   7.389  -0.745  -4.806
   45   2HD1  LEU   6          2HD1      LEU   6   8.700  -0.674  -3.631
   46   3HD1  LEU   6          3HD1      LEU   6   8.253   0.767  -4.541
   47   1HD2  LEU   6          1HD2      LEU   6   6.129   1.871  -4.144
   48   2HD2  LEU   6          2HD2      LEU   6   5.086   1.378  -2.817
   49   3HD2  LEU   6          3HD2      LEU   6   5.192   0.380  -4.269
   50    H    ALA   7           H        ALA   7   3.174  -1.755  -1.892
   51    HA   ALA   7           HA       ALA   7   2.935  -3.925  -0.102
   52   1HB   ALA   7          1HB       ALA   7   1.005  -2.886  -1.168
   53   2HB   ALA   7          2HB       ALA   7   1.103  -4.593  -1.613
   54   3HB   ALA   7          3HB       ALA   7   1.618  -3.349  -2.753
   55    H    ASN   8           H        ASN   8   4.054  -5.739  -0.196
   56    HA   ASN   8           HA       ASN   8   5.876  -6.042  -2.394
   57   1HB   ASN   8          2HB       ASN   8   6.943  -7.900  -1.135
   58   2HB   ASN   8          1HB       ASN   8   6.843  -6.410  -0.222
   59   1HD2  ASN   8          1HD2      ASN   8   7.120  -7.501   1.704
   60   2HD2  ASN   8          2HD2      ASN   8   5.907  -8.487   2.422
   61    H    THR   9           H        THR   9   2.886  -7.427  -1.594
   62    HA   THR   9           HA       THR   9   3.429  -9.360  -3.700
   63    HB   THR   9           HB       THR   9   3.002 -10.572  -1.707
   64    HG1  THR   9           1HG      THR   9   0.725 -10.756  -3.370
   65   1HG2  THR   9          1HG2      THR   9   1.796  -8.962  -0.377
   66   2HG2  THR   9          2HG2      THR   9   0.900 -10.476  -0.439
   67   3HG2  THR   9          3HG2      THR   9   0.383  -9.108  -1.413
   68    H    TYR  10           H        TYR  10   2.366  -6.531  -3.733
   69    HA   TYR  10           HA       TYR  10  -0.049  -7.068  -5.329
   70   1HB   TYR  10          2HB       TYR  10  -0.121  -5.193  -3.669
   71   2HB   TYR  10          1HB       TYR  10   1.160  -4.388  -4.574
   72    HD1  TYR  10           1HD      TYR  10  -2.372  -4.829  -4.191
   73    HD2  TYR  10           2HD      TYR  10   0.597  -3.718  -7.033
   74    HE1  TYR  10           1HE      TYR  10  -4.092  -3.714  -5.553
   75    HE2  TYR  10           2HE      TYR  10  -1.115  -2.607  -8.395
   76    HH   TYR  10           HH       TYR  10  -3.584  -2.783  -8.731
   77    H    ARG  11           H        ARG  11   0.632  -7.750  -7.222
   78    HA   ARG  11           HA       ARG  11   2.921  -6.389  -8.421
   79   1HB   ARG  11          2HB       ARG  11   3.093  -8.837  -8.170
   80   2HB   ARG  11          1HB       ARG  11   1.671  -9.028  -9.183
   81   1HG   ARG  11          2HG       ARG  11   3.710  -9.452 -10.435
   82   2HG   ARG  11          1HG       ARG  11   2.859  -8.042 -11.068
   83   1HD   ARG  11          2HD       ARG  11   4.386  -6.568  -9.854
   84   2HD   ARG  11          1HD       ARG  11   5.229  -7.966  -9.189
   85    HE   ARG  11           HE       ARG  11   5.338  -8.325 -11.869
   86   1HH1  ARG  11          1HH1      ARG  11   6.192  -5.545  -9.839
   87   2HH1  ARG  11          2HH1      ARG  11   7.566  -5.113 -10.740
   88   1HH2  ARG  11          1HH2      ARG  11   7.217  -7.712 -13.130
   89   2HH2  ARG  11          2HH2      ARG  11   8.149  -6.365 -12.684
   90    H    GLY  12           H        GLY  12   2.615  -5.063 -10.074
   91   1HA   GLY  12          2HA       GLY  12   1.521  -4.952 -12.295
   92   2HA   GLY  12          1HA       GLY  12   0.019  -5.153 -11.406
   93    HA   PRO  13           HA       PRO  13   1.426  -0.551 -11.531
   94   1HB   PRO  13          2HB       PRO  13  -0.515  -0.445 -13.786
   95   2HB   PRO  13          1HB       PRO  13   1.012   0.427 -13.589
   96   1HG   PRO  13          2HG       PRO  13   0.851  -1.589 -15.307
   97   2HG   PRO  13          1HG       PRO  13   2.283  -1.387 -14.280
   98   1HD   PRO  13          2HD       PRO  13  -0.012  -3.295 -13.954
   99   2HD   PRO  13          1HD       PRO  13   1.730  -3.569 -13.743
  100    H    CYS  14           H        CYS  14   0.224   0.563 -10.192
  101    HA   CYS  14           HA       CYS  14  -2.480  -0.335  -9.595
  102   1HB   CYS  14          2HB       CYS  14  -0.897  -0.519  -7.774
  103   2HB   CYS  14          1HB       CYS  14  -0.374   1.138  -8.013
  104    H    PHE  15           H        PHE  15  -4.052   1.247  -9.251
  105    HA   PHE  15           HA       PHE  15  -3.452   3.934 -10.250
  106   1HB   PHE  15          2HB       PHE  15  -5.819   2.256 -11.085
  107   2HB   PHE  15          1HB       PHE  15  -5.618   3.958 -11.471
  108    HD1  PHE  15           1HD      PHE  15  -5.000   0.625 -12.525
  109    HD2  PHE  15           2HD      PHE  15  -3.507   4.595 -12.783
  110    HE1  PHE  15           1HE      PHE  15  -3.747   0.020 -14.550
  111    HE2  PHE  15           2HE      PHE  15  -2.255   4.002 -14.812
  112    HZ   PHE  15           HZ       PHE  15  -2.371   1.715 -15.699
  113    H    THR  16           H        THR  16  -5.597   1.899  -8.259
  114    HA   THR  16           HA       THR  16  -6.766   4.365  -7.211
  115    HB   THR  16           HB       THR  16  -7.987   1.598  -7.339
  116    HG1  THR  16           1HG      THR  16  -8.158   3.945  -8.869
  117   1HG2  THR  16          1HG2      THR  16  -8.828   2.929  -5.442
  118   2HG2  THR  16          2HG2      THR  16 -10.058   2.718  -6.694
  119   3HG2  THR  16          3HG2      THR  16  -9.200   4.256  -6.548
  120    H    THR  17           H        THR  17  -6.815   4.766  -5.054
  121    HA   THR  17           HA       THR  17  -4.997   3.533  -3.339
  122    HB   THR  17           HB       THR  17  -7.179   5.557  -2.940
  123    HG1  THR  17           1HG      THR  17  -5.657   6.528  -3.949
  124   1HG2  THR  17          1HG2      THR  17  -5.142   4.668  -0.866
  125   2HG2  THR  17          2HG2      THR  17  -6.884   4.471  -0.765
  126   3HG2  THR  17          3HG2      THR  17  -6.180   6.084  -0.730
  127    H    GLY  18           H        GLY  18  -8.552   3.320  -3.505
  128   1HA   GLY  18          2HA       GLY  18  -8.932   1.844  -1.172
  129   2HA   GLY  18          1HA       GLY  18 -10.029   1.883  -2.538
  130    H    SER  19           H        SER  19  -8.146   0.699  -4.451
  131    HA   SER  19           HA       SER  19  -8.655  -2.017  -3.828
  132   1HB   SER  19          2HB       SER  19  -7.316  -2.258  -6.058
  133   2HB   SER  19          1HB       SER  19  -8.900  -1.481  -6.096
  134    HG   SER  19           HG       SER  19  -6.680  -0.464  -6.948
  135    H    CYS  20           H        CYS  20  -5.943   0.126  -3.751
  136    HA   CYS  20           HA       CYS  20  -3.918  -1.781  -3.195
  137   1HB   CYS  20          2HB       CYS  20  -3.355   0.544  -3.937
  138   2HB   CYS  20          1HB       CYS  20  -4.149   1.149  -2.528
  139    H    ASP  21           H        ASP  21  -5.922   0.339  -1.214
  140    HA   ASP  21           HA       ASP  21  -5.003  -0.285   1.331
  141   1HB   ASP  21          2HB       ASP  21  -6.379   1.605   0.864
  142   2HB   ASP  21          1HB       ASP  21  -7.745   0.578   0.396
  143    H    ASP  22           H        ASP  22  -7.729  -1.637  -0.435
  144    HA   ASP  22           HA       ASP  22  -8.650  -3.623   1.230
  145   1HB   ASP  22          2HB       ASP  22  -9.724  -3.137  -0.855
  146   2HB   ASP  22          1HB       ASP  22  -8.282  -3.556  -1.762
  147    H    HIS  23           H        HIS  23  -5.996  -3.783  -1.055
  148    HA   HIS  23           HA       HIS  23  -5.255  -6.469  -0.571
  149   1HB   HIS  23          2HB       HIS  23  -4.592  -5.474  -2.652
  150   2HB   HIS  23          1HB       HIS  23  -3.802  -4.140  -1.826
  151    HD1  HIS  23           1HD      HIS  23  -3.271  -7.744  -2.806
  152    HD2  HIS  23           2HD      HIS  23  -1.217  -4.630  -0.968
  153    HE1  HIS  23           1HE      HIS  23  -0.871  -8.483  -2.663
  154    HE2  HIS  23           2HE      HIS  23   0.255  -6.664  -1.291
  155    H    CYS  24           H        CYS  24  -3.948  -3.401   0.654
  156    HA   CYS  24           HA       CYS  24  -1.882  -4.577   2.151
  157   1HB   CYS  24          2HB       CYS  24  -3.219  -1.894   2.426
  158   2HB   CYS  24          1HB       CYS  24  -1.763  -2.372   3.298
  159    H    LYS  25           H        LYS  25  -5.279  -3.907   3.012
  160    HA   LYS  25           HA       LYS  25  -4.859  -4.456   5.723
  161   1HB   LYS  25          2HB       LYS  25  -7.158  -4.053   3.893
  162   2HB   LYS  25          1HB       LYS  25  -7.413  -4.621   5.524
  163   1HG   LYS  25          2HG       LYS  25  -6.430  -2.611   6.425
  164   2HG   LYS  25          1HG       LYS  25  -5.942  -2.091   4.812
  165   1HD   LYS  25          2HD       LYS  25  -8.257  -1.860   4.151
  166   2HD   LYS  25          1HD       LYS  25  -8.794  -2.488   5.712
  167   1HE   LYS  25          2HE       LYS  25  -7.978  -0.579   6.855
  168   2HE   LYS  25          1HE       LYS  25  -7.084  -0.028   5.442
  169   1HZ   LYS  25          1HZ       LYS  25  -9.083   0.382   4.317
  170   2HZ   LYS  25          2HZ       LYS  25  -9.101   1.234   5.776
  171   3HZ   LYS  25          3HZ       LYS  25 -10.051  -0.172   5.594
  172    H    ASN  26           H        ASN  26  -6.470  -6.238   3.045
  173    HA   ASN  26           HA       ASN  26  -6.977  -8.440   4.727
  174   1HB   ASN  26          2HB       ASN  26  -8.550  -8.033   3.026
  175   2HB   ASN  26          1HB       ASN  26  -7.311  -7.996   1.778
  176   1HD2  ASN  26          1HD2      ASN  26  -6.672  -9.877   0.823
  177   2HD2  ASN  26          2HD2      ASN  26  -7.351 -11.401   1.204
  178    H    LYS  27           H        LYS  27  -4.495  -7.847   2.292
  179    HA   LYS  27           HA       LYS  27  -3.603 -10.599   2.667
  180   1HB   LYS  27          2HB       LYS  27  -3.891  -9.764   0.379
  181   2HB   LYS  27          1HB       LYS  27  -2.665  -8.544   0.669
  182   1HG   LYS  27          2HG       LYS  27  -1.674 -10.329  -0.571
  183   2HG   LYS  27          1HG       LYS  27  -1.030 -10.376   1.069
  184   1HD   LYS  27          2HD       LYS  27  -2.600 -12.178   1.638
  185   2HD   LYS  27          1HD       LYS  27  -3.251 -12.123  -0.001
  186   1HE   LYS  27          2HE       LYS  27  -1.006 -12.683  -0.867
  187   2HE   LYS  27          1HE       LYS  27  -0.427 -12.817   0.789
  188   1HZ   LYS  27          1HZ       LYS  27  -0.961 -14.976  -0.108
  189   2HZ   LYS  27          2HZ       LYS  27  -2.539 -14.509  -0.450
  190   3HZ   LYS  27          3HZ       LYS  27  -2.022 -14.630   1.144
  191    H    GLU  28           H        GLU  28  -2.293  -7.277   2.871
  192    HA   GLU  28           HA       GLU  28   0.098  -8.507   3.931
  193   1HB   GLU  28          2HB       GLU  28  -0.258  -5.653   3.012
  194   2HB   GLU  28          1HB       GLU  28   1.267  -6.371   3.540
  195   1HG   GLU  28          2HG       GLU  28   0.749  -8.178   1.761
  196   2HG   GLU  28          1HG       GLU  28  -0.369  -7.015   1.122
  197    H    HIS  29           H        HIS  29  -2.612  -7.274   5.112
  198    HA   HIS  29           HA       HIS  29  -3.405  -6.900   7.144
  199   1HB   HIS  29          2HB       HIS  29  -0.961  -8.474   7.917
  200   2HB   HIS  29          1HB       HIS  29  -2.247  -8.058   9.050
  201    HD1  HIS  29           1HD      HIS  29  -1.324 -10.536   6.501
  202    HD2  HIS  29           2HD      HIS  29  -4.796  -9.203   8.331
  203    HE1  HIS  29           1HE      HIS  29  -3.042 -12.269   5.995
  204    HE2  HIS  29           2HE      HIS  29  -5.194 -11.271   6.880
  205    H    LEU  30           H        LEU  30  -1.893  -4.785   6.108
  206    HA   LEU  30           HA       LEU  30  -0.794  -3.635   8.548
  207   1HB   LEU  30          2HB       LEU  30  -0.473  -2.706   5.696
  208   2HB   LEU  30          1HB       LEU  30   0.143  -1.844   7.084
  209    HG   LEU  30           HG       LEU  30   1.032  -4.591   6.186
  210   1HD1  LEU  30          1HD1      LEU  30   1.922  -2.858   4.788
  211   2HD1  LEU  30          2HD1      LEU  30   3.189  -3.504   5.825
  212   3HD1  LEU  30          3HD1      LEU  30   2.455  -1.944   6.197
  213   1HD2  LEU  30          1HD2      LEU  30   1.077  -4.484   8.603
  214   2HD2  LEU  30          2HD2      LEU  30   1.924  -2.939   8.540
  215   3HD2  LEU  30          3HD2      LEU  30   2.718  -4.401   7.963
  216    H    ARG  31           H        ARG  31  -1.187  -0.946   8.065
  217    HA   ARG  31           HA       ARG  31  -3.771  -0.886   9.230
  218   1HB   ARG  31          2HB       ARG  31  -1.738   0.653   9.666
  219   2HB   ARG  31          1HB       ARG  31  -2.308   1.592   8.364
  220   1HG   ARG  31          2HG       ARG  31  -4.623   1.610   9.398
  221   2HG   ARG  31          1HG       ARG  31  -3.856   0.981  10.854
  222   1HD   ARG  31          2HD       ARG  31  -2.352   2.984  10.807
  223   2HD   ARG  31          1HD       ARG  31  -3.343   3.578   9.473
  224    HE   ARG  31           HE       ARG  31  -4.806   2.859  11.834
  225   1HH1  ARG  31          1HH1      ARG  31  -3.213   5.486  10.073
  226   2HH1  ARG  31          2HH1      ARG  31  -4.032   6.737  10.863
  227   1HH2  ARG  31          1HH2      ARG  31  -5.923   4.572  12.977
  228   2HH2  ARG  31          2HH2      ARG  31  -5.667   6.192  12.576
  229    H    SER  32           H        SER  32  -2.488   0.619   6.309
  230    HA   SER  32           HA       SER  32  -5.049   0.427   4.948
  231   1HB   SER  32          2HB       SER  32  -3.668   3.099   5.220
  232   2HB   SER  32          1HB       SER  32  -5.248   2.749   4.556
  233    HG   SER  32           HG       SER  32  -5.608   1.888   6.840
  234    H    GLY  33           H        GLY  33  -4.622   1.539   2.777
  235   1HA   GLY  33          2HA       GLY  33  -1.835   1.305   1.988
  236   2HA   GLY  33          1HA       GLY  33  -3.022   0.330   1.129
  237    H    ARG  34           H        ARG  34  -1.359   2.384   0.110
  238    HA   ARG  34           HA       ARG  34  -3.429   4.045  -1.100
  239   1HB   ARG  34          2HB       ARG  34  -0.908   5.119   0.110
  240   2HB   ARG  34          1HB       ARG  34  -1.755   5.930  -1.193
  241   1HG   ARG  34          2HG       ARG  34  -3.697   5.968   0.120
  242   2HG   ARG  34          1HG       ARG  34  -2.825   5.345   1.548
  243   1HD   ARG  34          2HD       ARG  34  -2.415   7.949   0.050
  244   2HD   ARG  34          1HD       ARG  34  -2.847   7.748   1.744
  245    HE   ARG  34           HE       ARG  34  -0.400   6.550   1.552
  246   1HH1  ARG  34          1HH1      ARG  34  -1.615   9.800   0.692
  247   2HH1  ARG  34          2HH1      ARG  34  -0.126  10.555   1.014
  248   1HH2  ARG  34          1HH2      ARG  34   1.638   7.631   1.881
  249   2HH2  ARG  34          2HH2      ARG  34   1.734   9.332   1.698
  250    H    CYS  35           H        CYS  35  -3.161   4.690  -2.931
  251    HA   CYS  35           HA       CYS  35  -1.067   3.241  -4.368
  252   1HB   CYS  35          2HB       CYS  35  -3.450   2.740  -4.912
  253   2HB   CYS  35          1HB       CYS  35  -3.594   4.393  -5.506
  254    H    ARG  36           H        ARG  36   0.493   4.602  -4.252
  255    HA   ARG  36           HA       ARG  36  -0.010   7.418  -4.393
  256   1HB   ARG  36          2HB       ARG  36   2.477   5.843  -3.824
  257   2HB   ARG  36          1HB       ARG  36   2.439   7.601  -3.893
  258   1HG   ARG  36          2HG       ARG  36   0.828   7.672  -2.082
  259   2HG   ARG  36          1HG       ARG  36   0.753   5.920  -2.052
  260   1HD   ARG  36          2HD       ARG  36   2.168   6.911  -0.260
  261   2HD   ARG  36          1HD       ARG  36   2.999   5.753  -1.290
  262    HE   ARG  36           HE       ARG  36   3.520   8.165  -2.424
  263   1HH1  ARG  36          1HH1      ARG  36   3.909   6.948   0.889
  264   2HH1  ARG  36          2HH1      ARG  36   5.391   7.739   1.130
  265   1HH2  ARG  36          1HH2      ARG  36   5.497   9.238  -2.081
  266   2HH2  ARG  36          2HH2      ARG  36   6.345   9.086  -0.600
  267    H    ASP  37           H        ASP  37   1.943   8.631  -5.509
  268    HA   ASP  37           HA       ASP  37   1.233   8.481  -8.251
  269   1HB   ASP  37          2HB       ASP  37   3.208  10.255  -6.809
  270   2HB   ASP  37          1HB       ASP  37   2.748  10.454  -8.497
  271    H    ASP  38           H        ASP  38   3.148   6.489  -6.845
  272    HA   ASP  38           HA       ASP  38   5.343   6.339  -8.781
  273   1HB   ASP  38          2HB       ASP  38   4.538   4.401  -6.584
  274   2HB   ASP  38          1HB       ASP  38   6.022   4.335  -7.510
  275    H    PHE  39           H        PHE  39   2.107   5.544  -8.576
  276    HA   PHE  39           HA       PHE  39   0.647   4.138  -9.541
  277   1HB   PHE  39          2HB       PHE  39   2.963   3.517 -11.432
  278   2HB   PHE  39          1HB       PHE  39   1.356   2.844 -11.621
  279    HD1  PHE  39           1HD      PHE  39  -0.500   4.206 -12.342
  280    HD2  PHE  39           2HD      PHE  39   3.387   5.867 -11.889
  281    HE1  PHE  39           1HE      PHE  39  -1.203   6.183 -13.626
  282    HE2  PHE  39           2HE      PHE  39   2.692   7.848 -13.169
  283    HZ   PHE  39           HZ       PHE  39   0.395   8.007 -14.039
  284    H    ARG  40           H        ARG  40   2.162   3.459  -7.337
  285    HA   ARG  40           HA       ARG  40   2.057   0.558  -7.479
  286   1HB   ARG  40          2HB       ARG  40   4.230   2.219  -6.198
  287   2HB   ARG  40          1HB       ARG  40   3.959   0.514  -5.868
  288   1HG   ARG  40          2HG       ARG  40   4.480   1.577  -8.615
  289   2HG   ARG  40          1HG       ARG  40   5.756   1.006  -7.527
  290   1HD   ARG  40          2HD       ARG  40   3.382  -0.649  -8.407
  291   2HD   ARG  40          1HD       ARG  40   4.977  -0.728  -9.149
  292    HE   ARG  40           HE       ARG  40   5.684  -1.220  -6.713
  293   1HH1  ARG  40          1HH1      ARG  40   2.746  -2.533  -8.315
  294   2HH1  ARG  40          2HH1      ARG  40   2.810  -3.963  -7.383
  295   1HH2  ARG  40          1HH2      ARG  40   5.678  -3.268  -5.532
  296   2HH2  ARG  40          2HH2      ARG  40   4.479  -4.411  -5.851
  297    H    CYS  41           H        CYS  41   1.540  -0.443  -5.593
  298    HA   CYS  41           HA       CYS  41  -0.192   1.051  -3.865
  299   1HB   CYS  41          2HB       CYS  41  -0.921  -1.009  -4.788
  300   2HB   CYS  41          1HB       CYS  41   0.476  -1.885  -4.165
  301    H    TRP  42           H        TRP  42   0.397   1.715  -1.965
  302    HA   TRP  42           HA       TRP  42   2.860   0.741  -0.712
  303   1HB   TRP  42          2HB       TRP  42   1.453   3.409  -0.616
  304   2HB   TRP  42          1HB       TRP  42   2.715   2.926   0.491
  305    HD1  TRP  42           HD       TRP  42   2.262   3.622  -3.319
  306    HE1  TRP  42           1HE      TRP  42   4.522   4.610  -4.175
  307    HE3  TRP  42           3HE      TRP  42   5.077   3.193   0.926
  308    HZ2  TRP  42           2HZ      TRP  42   7.058   5.093  -3.214
  309    HZ3  TRP  42           3HZ      TRP  42   7.377   3.942   0.890
  310    HH2  TRP  42           HH       TRP  42   8.379   4.875  -1.136
  311    H    CYS  43           H        CYS  43   2.568  -0.023   1.323
  312    HA   CYS  43           HA       CYS  43  -0.123   0.117   2.491
  313   1HB   CYS  43          2HB       CYS  43   2.125  -1.837   3.006
  314   2HB   CYS  43          1HB       CYS  43   0.511  -1.898   3.717
  315    H    THR  44           H        THR  44  -0.264   0.905   4.737
  316    HA   THR  44           HA       THR  44   2.250   2.089   5.576
  317    HB   THR  44           HB       THR  44   0.746   3.755   4.579
  318    HG1  THR  44           1HG      THR  44   2.096   4.132   6.558
  319   1HG2  THR  44          1HG2      THR  44  -1.360   4.386   5.714
  320   2HG2  THR  44          2HG2      THR  44  -1.161   3.013   6.801
  321   3HG2  THR  44          3HG2      THR  44  -1.413   2.740   5.078
  322    H    ARG  45           H        ARG  45   2.509   2.307   7.810
  323    HA   ARG  45           HA       ARG  45   0.573   1.153   9.611
  324   1HB   ARG  45          2HB       ARG  45   2.292  -0.233  10.713
  325   2HB   ARG  45          1HB       ARG  45   2.071  -0.736   9.047
  326   1HG   ARG  45          2HG       ARG  45   4.103   0.621   8.471
  327   2HG   ARG  45          1HG       ARG  45   4.351   0.854  10.201
  328   1HD   ARG  45          2HD       ARG  45   4.407  -1.637  10.455
  329   2HD   ARG  45          1HD       ARG  45   4.351  -1.767   8.695
  330    HE   ARG  45           HE       ARG  45   6.426  -0.144   9.892
  331   1HH1  ARG  45          1HH1      ARG  45   5.655  -3.192   8.192
  332   2HH1  ARG  45          2HH1      ARG  45   7.272  -3.606   7.932
  333   1HH2  ARG  45          1HH2      ARG  45   8.650  -0.733   9.520
  334   2HH2  ARG  45          2HH2      ARG  45   9.024  -2.196   8.727
  335    H    ASN  46           H        ASN  46   0.686   2.168  11.666
  336    HA   ASN  46           HA       ASN  46   1.706   4.752  11.650
  337   1HB   ASN  46          2HB       ASN  46   0.201   3.059  13.434
  338   2HB   ASN  46          1HB       ASN  46   1.226   4.198  14.263
  339   1HD2  ASN  46          1HD2      ASN  46  -1.484   3.786  12.192
  340   2HD2  ASN  46          2HD2      ASN  46  -2.029   5.433  12.243
  341    H    CYS  47           H        CYS  47   3.326   5.755  12.657
  342    HA   CYS  47           HA       CYS  47   5.040   4.569  14.502
  343   1HB   CYS  47          2HB       CYS  47   7.113   4.568  13.126
  344   2HB   CYS  47          1HB       CYS  47   5.927   3.521  12.390
  Start of MODEL   16
    1   1H    LYS   1          1HT       LYS   1   4.364   8.093  14.002
    2   2H    LYS   1          2HT       LYS   1   2.734   8.337  14.197
    3   3H    LYS   1          3HT       LYS   1   3.807   9.465  14.853
    4    HA   LYS   1           HA       LYS   1   2.851  10.347  12.817
    5   1HB   LYS   1          2HB       LYS   1   5.517   9.150  11.984
    6   2HB   LYS   1          1HB       LYS   1   4.762  10.571  11.334
    7   1HG   LYS   1          2HG       LYS   1   6.577  11.353  12.621
    8   2HG   LYS   1          1HG       LYS   1   5.147  11.682  13.594
    9   1HD   LYS   1          2HD       LYS   1   5.598   9.731  14.958
   10   2HD   LYS   1          1HD       LYS   1   6.951   9.288  13.920
   11   1HE   LYS   1          2HE       LYS   1   8.120  11.330  14.577
   12   2HE   LYS   1          1HE       LYS   1   6.751  11.791  15.589
   13   1HZ   LYS   1          1HZ       LYS   1   7.126   9.847  16.948
   14   2HZ   LYS   1          2HZ       LYS   1   8.544  10.737  16.873
   15   3HZ   LYS   1          3HZ       LYS   1   8.374   9.334  15.957
   16    H    THR   2           H        THR   2   3.108   9.821  10.267
   17    HA   THR   2           HA       THR   2   2.405   7.011   9.960
   18    HB   THR   2           HB       THR   2   1.160   7.797   7.904
   19    HG1  THR   2           1HG      THR   2   1.899   9.981   7.901
   20   1HG2  THR   2          1HG2      THR   2  -0.007   6.935   9.863
   21   2HG2  THR   2          2HG2      THR   2  -0.907   8.297   9.201
   22   3HG2  THR   2          3HG2      THR   2   0.084   8.513  10.641
   23    H    CYS   3           H        CYS   3   3.478   5.890   8.535
   24    HA   CYS   3           HA       CYS   3   5.366   7.254   6.750
   25   1HB   CYS   3          2HB       CYS   3   5.754   4.707   8.369
   26   2HB   CYS   3          1HB       CYS   3   6.865   5.261   7.124
   27    H    GLU   4           H        GLU   4   5.572   6.189   4.666
   28    HA   GLU   4           HA       GLU   4   3.507   4.163   4.227
   29   1HB   GLU   4          2HB       GLU   4   2.859   6.533   3.590
   30   2HB   GLU   4          1HB       GLU   4   4.158   6.455   2.437
   31   1HG   GLU   4          2HG       GLU   4   3.094   4.802   1.181
   32   2HG   GLU   4          1HG       GLU   4   1.866   4.561   2.432
   33    H    ASN   5           H        ASN   5   4.102   2.547   2.904
   34    HA   ASN   5           HA       ASN   5   6.566   2.767   1.370
   35   1HB   ASN   5          2HB       ASN   5   6.081   0.673   3.499
   36   2HB   ASN   5          1HB       ASN   5   7.293   0.531   2.232
   37   1HD2  ASN   5          1HD2      ASN   5   9.037   1.902   2.266
   38   2HD2  ASN   5          2HD2      ASN   5   9.576   2.695   3.693
   39    H    LEU   6           H        LEU   6   6.805   1.142  -0.180
   40    HA   LEU   6           HA       LEU   6   4.601   0.653  -1.697
   41   1HB   LEU   6          2HB       LEU   6   7.299  -0.457  -1.393
   42   2HB   LEU   6          1HB       LEU   6   6.203  -1.125  -2.570
   43    HG   LEU   6           HG       LEU   6   7.113   1.768  -2.530
   44   1HD1  LEU   6          1HD1      LEU   6   8.082  -0.551  -4.209
   45   2HD1  LEU   6          2HD1      LEU   6   9.003   0.245  -2.933
   46   3HD1  LEU   6          3HD1      LEU   6   8.572   1.133  -4.396
   47   1HD2  LEU   6          1HD2      LEU   6   6.255   1.765  -4.824
   48   2HD2  LEU   6          2HD2      LEU   6   4.986   1.398  -3.660
   49   3HD2  LEU   6          3HD2      LEU   6   5.706   0.102  -4.615
   50    H    ALA   7           H        ALA   7   3.188  -1.034  -1.799
   51    HA   ALA   7           HA       ALA   7   3.275  -3.058   0.216
   52   1HB   ALA   7          1HB       ALA   7   1.131  -2.239  -0.607
   53   2HB   ALA   7          2HB       ALA   7   1.321  -3.951  -0.992
   54   3HB   ALA   7          3HB       ALA   7   1.566  -2.727  -2.243
   55    H    ASN   8           H        ASN   8   5.099  -4.152  -0.070
   56    HA   ASN   8           HA       ASN   8   6.138  -4.820  -2.623
   57   1HB   ASN   8          2HB       ASN   8   7.893  -6.039  -1.425
   58   2HB   ASN   8          1HB       ASN   8   7.635  -4.444  -0.729
   59   1HD2  ASN   8          1HD2      ASN   8   7.441  -7.852  -0.229
   60   2HD2  ASN   8          2HD2      ASN   8   7.069  -7.788   1.449
   61    H    THR   9           H        THR   9   3.724  -6.245  -0.731
   62    HA   THR   9           HA       THR   9   4.186  -8.823  -2.002
   63    HB   THR   9           HB       THR   9   2.006  -8.139   0.005
   64    HG1  THR   9           1HG      THR   9   4.439  -7.803   0.483
   65   1HG2  THR   9          1HG2      THR   9   1.817 -10.313  -1.183
   66   2HG2  THR   9          2HG2      THR   9   2.137 -10.539   0.537
   67   3HG2  THR   9          3HG2      THR   9   3.439 -10.735  -0.639
   68    H    TYR  10           H        TYR  10   3.010  -6.093  -2.886
   69    HA   TYR  10           HA       TYR  10   0.676  -7.173  -4.351
   70   1HB   TYR  10          2HB       TYR  10   0.218  -5.187  -2.852
   71   2HB   TYR  10          1HB       TYR  10   1.342  -4.259  -3.831
   72    HD1  TYR  10           1HD      TYR  10  -2.041  -5.306  -3.415
   73    HD2  TYR  10           2HD      TYR  10   0.717  -3.934  -6.333
   74    HE1  TYR  10           1HE      TYR  10  -3.912  -4.634  -4.853
   75    HE2  TYR  10           2HE      TYR  10  -1.153  -3.251  -7.791
   76    HH   TYR  10           HH       TYR  10  -3.524  -3.844  -8.113
   77    H    ARG  11           H        ARG  11   1.317  -7.725  -6.285
   78    HA   ARG  11           HA       ARG  11   3.195  -5.960  -7.652
   79   1HB   ARG  11          2HB       ARG  11   4.274  -8.069  -7.043
   80   2HB   ARG  11          1HB       ARG  11   2.991  -8.968  -7.820
   81   1HG   ARG  11          2HG       ARG  11   3.689  -8.253  -9.977
   82   2HG   ARG  11          1HG       ARG  11   4.823  -7.089  -9.286
   83   1HD   ARG  11          2HD       ARG  11   5.985  -9.096 -10.049
   84   2HD   ARG  11          1HD       ARG  11   6.108  -8.900  -8.307
   85    HE   ARG  11           HE       ARG  11   3.981 -10.616  -9.287
   86   1HH1  ARG  11          1HH1      ARG  11   7.229 -10.416  -7.857
   87   2HH1  ARG  11          2HH1      ARG  11   7.272 -12.045  -7.371
   88   1HH2  ARG  11          1HH2      ARG  11   4.052 -12.878  -8.590
   89   2HH2  ARG  11          2HH2      ARG  11   5.413 -13.463  -7.763
   90    H    GLY  12           H        GLY  12   2.544  -5.216  -9.535
   91   1HA   GLY  12          2HA       GLY  12   1.287  -5.868 -11.614
   92   2HA   GLY  12          1HA       GLY  12  -0.058  -6.140 -10.504
   93    HA   PRO  13           HA       PRO  13   0.419  -1.531 -11.703
   94   1HB   PRO  13          2HB       PRO  13  -1.898  -1.954 -13.482
   95   2HB   PRO  13          1HB       PRO  13  -0.382  -1.111 -13.815
   96   1HG   PRO  13          2HG       PRO  13  -0.915  -3.473 -14.940
   97   2HG   PRO  13          1HG       PRO  13   0.722  -3.046 -14.403
   98   1HD   PRO  13          2HD       PRO  13  -1.322  -4.763 -13.030
   99   2HD   PRO  13          1HD       PRO  13   0.415  -5.056 -13.266
  100    H    CYS  14           H        CYS  14  -0.463  -0.564 -10.070
  101    HA   CYS  14           HA       CYS  14  -2.897  -1.408  -8.849
  102   1HB   CYS  14          2HB       CYS  14  -1.067  -0.517  -7.511
  103   2HB   CYS  14          1HB       CYS  14  -1.143   1.007  -8.383
  104    H    PHE  15           H        PHE  15  -4.830  -0.803  -9.470
  105    HA   PHE  15           HA       PHE  15  -5.045   1.431 -11.311
  106   1HB   PHE  15          2HB       PHE  15  -7.048  -0.722 -10.636
  107   2HB   PHE  15          1HB       PHE  15  -7.315   0.568 -11.802
  108    HD1  PHE  15           1HD      PHE  15  -6.027  -2.712 -11.290
  109    HD2  PHE  15           2HD      PHE  15  -5.687   0.733 -13.765
  110    HE1  PHE  15           1HE      PHE  15  -4.959  -4.074 -13.034
  111    HE2  PHE  15           2HE      PHE  15  -4.620  -0.624 -15.515
  112    HZ   PHE  15           HZ       PHE  15  -4.253  -3.032 -15.149
  113    H    THR  16           H        THR  16  -6.363   0.362  -8.181
  114    HA   THR  16           HA       THR  16  -7.382   3.074  -7.801
  115    HB   THR  16           HB       THR  16  -9.332   2.037  -6.607
  116    HG1  THR  16           1HG      THR  16  -9.527  -0.252  -7.789
  117   1HG2  THR  16          1HG2      THR  16  -9.108   1.370  -9.548
  118   2HG2  THR  16          2HG2      THR  16  -9.564   2.937  -8.890
  119   3HG2  THR  16          3HG2      THR  16 -10.617   1.542  -8.645
  120    H    THR  17           H        THR  17  -7.466   3.737  -5.623
  121    HA   THR  17           HA       THR  17  -5.626   2.694  -3.808
  122    HB   THR  17           HB       THR  17  -7.926   4.623  -3.576
  123    HG1  THR  17           1HG      THR  17  -6.462   5.990  -4.134
  124   1HG2  THR  17          1HG2      THR  17  -7.033   5.293  -1.336
  125   2HG2  THR  17          2HG2      THR  17  -5.969   3.880  -1.366
  126   3HG2  THR  17          3HG2      THR  17  -7.711   3.670  -1.344
  127    H    GLY  18           H        GLY  18  -9.004   1.995  -4.364
  128   1HA   GLY  18          2HA       GLY  18  -9.550   0.585  -1.986
  129   2HA   GLY  18          1HA       GLY  18 -10.387   0.372  -3.516
  130    H    SER  19           H        SER  19  -7.927  -0.429  -4.945
  131    HA   SER  19           HA       SER  19  -8.000  -3.236  -4.321
  132   1HB   SER  19          2HB       SER  19  -7.842  -2.409  -6.665
  133   2HB   SER  19          1HB       SER  19  -6.286  -1.677  -6.300
  134    HG   SER  19           HG       SER  19  -5.359  -3.526  -6.576
  135    H    CYS  20           H        CYS  20  -6.068  -0.538  -3.580
  136    HA   CYS  20           HA       CYS  20  -3.745  -2.045  -2.802
  137   1HB   CYS  20          2HB       CYS  20  -3.514   0.166  -3.888
  138   2HB   CYS  20          1HB       CYS  20  -4.403   0.885  -2.577
  139    H    ASP  21           H        ASP  21  -6.171   0.027  -1.209
  140    HA   ASP  21           HA       ASP  21  -5.308  -0.196   1.424
  141   1HB   ASP  21          2HB       ASP  21  -6.894   1.462   0.799
  142   2HB   ASP  21          1HB       ASP  21  -8.074   0.249   0.292
  143    H    ASP  22           H        ASP  22  -7.658  -2.163  -0.327
  144    HA   ASP  22           HA       ASP  22  -8.362  -3.889   1.748
  145   1HB   ASP  22          2HB       ASP  22  -9.601  -3.889  -0.325
  146   2HB   ASP  22          1HB       ASP  22  -8.178  -4.420  -1.217
  147    H    HIS  23           H        HIS  23  -5.814  -4.156  -0.660
  148    HA   HIS  23           HA       HIS  23  -4.744  -6.611   0.163
  149   1HB   HIS  23          2HB       HIS  23  -4.083  -5.781  -1.971
  150   2HB   HIS  23          1HB       HIS  23  -3.521  -4.262  -1.291
  151    HD1  HIS  23           1HD      HIS  23  -2.503  -7.872  -1.673
  152    HD2  HIS  23           2HD      HIS  23  -0.931  -4.275  -0.319
  153    HE1  HIS  23           1HE      HIS  23  -0.074  -8.306  -1.250
  154    HE2  HIS  23           2HE      HIS  23   0.793  -6.133  -0.228
  155    H    CYS  24           H        CYS  24  -3.822  -3.323   1.101
  156    HA   CYS  24           HA       CYS  24  -1.687  -4.116   2.733
  157   1HB   CYS  24          2HB       CYS  24  -3.310  -1.575   2.714
  158   2HB   CYS  24          1HB       CYS  24  -1.832  -1.775   3.645
  159    H    LYS  25           H        LYS  25  -5.159  -3.818   3.490
  160    HA   LYS  25           HA       LYS  25  -4.702  -4.137   6.265
  161   1HB   LYS  25          2HB       LYS  25  -7.013  -4.036   4.400
  162   2HB   LYS  25          1HB       LYS  25  -7.218  -4.470   6.078
  163   1HG   LYS  25          2HG       LYS  25  -6.441  -2.313   6.792
  164   2HG   LYS  25          1HG       LYS  25  -5.922  -1.912   5.152
  165   1HD   LYS  25          2HD       LYS  25  -8.203  -1.954   4.385
  166   2HD   LYS  25          1HD       LYS  25  -8.765  -2.451   5.981
  167   1HE   LYS  25          2HE       LYS  25  -8.165  -0.354   6.925
  168   2HE   LYS  25          1HE       LYS  25  -7.278   0.114   5.471
  169   1HZ   LYS  25          1HZ       LYS  25  -9.454   1.174   5.593
  170   2HZ   LYS  25          2HZ       LYS  25 -10.227  -0.317   5.565
  171   3HZ   LYS  25          3HZ       LYS  25  -9.268   0.190   4.254
  172    H    ASN  26           H        ASN  26  -6.089  -6.124   3.604
  173    HA   ASN  26           HA       ASN  26  -6.721  -8.361   5.133
  174   1HB   ASN  26          2HB       ASN  26  -7.761  -7.808   3.024
  175   2HB   ASN  26          1HB       ASN  26  -6.223  -7.937   2.196
  176   1HD2  ASN  26          1HD2      ASN  26  -6.924  -9.412   0.788
  177   2HD2  ASN  26          2HD2      ASN  26  -7.299 -11.042   1.218
  178    H    LYS  27           H        LYS  27  -3.949  -7.671   3.005
  179    HA   LYS  27           HA       LYS  27  -2.876 -10.237   3.772
  180   1HB   LYS  27          2HB       LYS  27  -2.975  -9.852   1.413
  181   2HB   LYS  27          1HB       LYS  27  -2.082  -8.355   1.563
  182   1HG   LYS  27          2HG       LYS  27  -0.571  -9.914   0.642
  183   2HG   LYS  27          1HG       LYS  27  -0.108  -9.758   2.327
  184   1HD   LYS  27          2HD       LYS  27  -1.869 -12.002   1.320
  185   2HD   LYS  27          1HD       LYS  27  -0.119 -12.112   1.311
  186   1HE   LYS  27          2HE       LYS  27  -0.141 -11.794   3.785
  187   2HE   LYS  27          1HE       LYS  27  -1.900 -11.790   3.743
  188   1HZ   LYS  27          1HZ       LYS  27  -1.084 -13.924   4.332
  189   2HZ   LYS  27          2HZ       LYS  27  -0.151 -14.018   2.930
  190   3HZ   LYS  27          3HZ       LYS  27  -1.839 -14.019   2.829
  191    H    GLU  28           H        GLU  28  -1.801  -6.814   3.668
  192    HA   GLU  28           HA       GLU  28   0.628  -7.732   4.925
  193   1HB   GLU  28          2HB       GLU  28   0.034  -4.975   3.843
  194   2HB   GLU  28          1HB       GLU  28   1.593  -5.500   4.479
  195   1HG   GLU  28          2HG       GLU  28   1.372  -7.421   2.763
  196   2HG   GLU  28          1HG       GLU  28   0.168  -6.411   2.021
  197    H    HIS  29           H        HIS  29  -2.239  -6.469   5.883
  198    HA   HIS  29           HA       HIS  29  -3.153  -5.988   7.830
  199   1HB   HIS  29          2HB       HIS  29  -0.678  -7.336   8.926
  200   2HB   HIS  29          1HB       HIS  29  -2.038  -6.867   9.938
  201    HD1  HIS  29           1HD      HIS  29  -0.824  -9.549   7.778
  202    HD2  HIS  29           2HD      HIS  29  -4.488  -8.297   9.248
  203    HE1  HIS  29           1HE      HIS  29  -2.372 -11.482   7.436
  204    HE2  HIS  29           2HE      HIS  29  -4.461 -10.814   8.626
  205    H    LEU  30           H        LEU  30  -1.778  -3.911   6.641
  206    HA   LEU  30           HA       LEU  30  -0.635  -2.414   8.880
  207   1HB   LEU  30          2HB       LEU  30  -0.478  -1.909   5.911
  208   2HB   LEU  30          1HB       LEU  30   0.197  -0.841   7.123
  209    HG   LEU  30           HG       LEU  30   1.077  -3.689   6.614
  210   1HD1  LEU  30          1HD1      LEU  30   2.439  -1.070   6.037
  211   2HD1  LEU  30          2HD1      LEU  30   1.800  -2.220   4.856
  212   3HD1  LEU  30          3HD1      LEU  30   3.165  -2.667   5.869
  213   1HD2  LEU  30          1HD2      LEU  30   1.309  -3.161   8.954
  214   2HD2  LEU  30          2HD2      LEU  30   2.092  -1.631   8.572
  215   3HD2  LEU  30          3HD2      LEU  30   2.901  -3.148   8.198
  216    H    ARG  31           H        ARG  31  -1.102   0.177   7.989
  217    HA   ARG  31           HA       ARG  31  -3.576   0.628   9.268
  218   1HB   ARG  31          2HB       ARG  31  -1.536   2.194   9.112
  219   2HB   ARG  31          1HB       ARG  31  -2.068   2.578   7.548
  220   1HG   ARG  31          2HG       ARG  31  -4.256   3.361   8.381
  221   2HG   ARG  31          1HG       ARG  31  -3.698   3.062  10.026
  222   1HD   ARG  31          2HD       ARG  31  -1.822   4.641   9.598
  223   2HD   ARG  31          1HD       ARG  31  -2.552   5.018   8.036
  224    HE   ARG  31           HE       ARG  31  -4.025   5.408  10.546
  225   1HH1  ARG  31          1HH1      ARG  31  -2.978   6.728   7.424
  226   2HH1  ARG  31          2HH1      ARG  31  -3.507   8.301   7.765
  227   1HH2  ARG  31          1HH2      ARG  31  -4.764   7.564  10.984
  228   2HH2  ARG  31          2HH2      ARG  31  -4.551   8.793   9.829
  229    H    SER  32           H        SER  32  -2.615   1.437   5.956
  230    HA   SER  32           HA       SER  32  -5.160   0.748   4.813
  231   1HB   SER  32          2HB       SER  32  -4.190   3.622   4.743
  232   2HB   SER  32          1HB       SER  32  -5.640   2.972   4.007
  233    HG   SER  32           HG       SER  32  -5.811   2.329   6.517
  234    H    GLY  33           H        GLY  33  -4.903   1.774   2.434
  235   1HA   GLY  33          2HA       GLY  33  -2.128   1.702   1.617
  236   2HA   GLY  33          1HA       GLY  33  -3.210   0.479   0.942
  237    H    ARG  34           H        ARG  34  -1.759   2.876  -0.128
  238    HA   ARG  34           HA       ARG  34  -4.045   3.948  -1.600
  239   1HB   ARG  34          2HB       ARG  34  -1.844   5.544  -0.349
  240   2HB   ARG  34          1HB       ARG  34  -2.741   6.124  -1.749
  241   1HG   ARG  34          2HG       ARG  34  -4.753   5.948  -0.613
  242   2HG   ARG  34          1HG       ARG  34  -3.996   5.299   0.854
  243   1HD   ARG  34          2HD       ARG  34  -3.592   8.047  -0.356
  244   2HD   ARG  34          1HD       ARG  34  -4.424   7.688   1.156
  245    HE   ARG  34           HE       ARG  34  -1.718   6.747   1.150
  246   1HH1  ARG  34          1HH1      ARG  34  -3.690   9.634   1.728
  247   2HH1  ARG  34          2HH1      ARG  34  -2.476  10.414   2.636
  248   1HH2  ARG  34          1HH2      ARG  34  -0.176   7.740   2.333
  249   2HH2  ARG  34          2HH2      ARG  34  -0.379   9.304   3.030
  250    H    CYS  35           H        CYS  35  -3.828   4.557  -3.490
  251    HA   CYS  35           HA       CYS  35  -1.812   2.983  -4.894
  252   1HB   CYS  35          2HB       CYS  35  -4.310   2.847  -5.304
  253   2HB   CYS  35          1HB       CYS  35  -4.178   4.441  -6.033
  254    H    ARG  36           H        ARG  36  -0.089   4.022  -5.735
  255    HA   ARG  36           HA       ARG  36  -0.382   6.916  -5.972
  256   1HB   ARG  36          2HB       ARG  36   2.046   5.415  -5.032
  257   2HB   ARG  36          1HB       ARG  36   2.000   7.138  -5.386
  258   1HG   ARG  36          2HG       ARG  36   0.233   7.404  -3.666
  259   2HG   ARG  36          1HG       ARG  36   0.409   5.703  -3.273
  260   1HD   ARG  36          2HD       ARG  36   1.650   7.186  -1.731
  261   2HD   ARG  36          1HD       ARG  36   2.683   6.030  -2.570
  262    HE   ARG  36           HE       ARG  36   2.884   8.128  -4.167
  263   1HH1  ARG  36          1HH1      ARG  36   3.105   8.001  -0.646
  264   2HH1  ARG  36          2HH1      ARG  36   4.225   9.286  -0.567
  265   1HH2  ARG  36          1HH2      ARG  36   4.424   9.839  -4.043
  266   2HH2  ARG  36          2HH2      ARG  36   4.971  10.351  -2.514
  267    H    ASP  37           H        ASP  37   1.609   7.838  -7.210
  268    HA   ASP  37           HA       ASP  37   1.009   7.225  -9.890
  269   1HB   ASP  37          2HB       ASP  37   2.540   9.054 -10.452
  270   2HB   ASP  37          1HB       ASP  37   1.427   9.493  -9.170
  271    H    ASP  38           H        ASP  38   3.053   5.547  -8.005
  272    HA   ASP  38           HA       ASP  38   5.120   4.957  -9.992
  273   1HB   ASP  38          2HB       ASP  38   4.392   3.405  -7.489
  274   2HB   ASP  38          1HB       ASP  38   5.836   3.190  -8.464
  275    H    PHE  39           H        PHE  39   1.922   4.302  -9.591
  276    HA   PHE  39           HA       PHE  39   0.417   2.864 -10.357
  277   1HB   PHE  39          2HB       PHE  39   2.700   1.658 -11.982
  278   2HB   PHE  39          1HB       PHE  39   1.013   1.200 -12.143
  279    HD1  PHE  39           1HD      PHE  39   3.548   3.645 -12.994
  280    HD2  PHE  39           2HD      PHE  39  -0.624   2.805 -13.057
  281    HE1  PHE  39           1HE      PHE  39   3.218   5.431 -14.654
  282    HE2  PHE  39           2HE      PHE  39  -0.961   4.588 -14.720
  283    HZ   PHE  39           HZ       PHE  39   0.962   5.901 -15.520
  284    H    ARG  40           H        ARG  40   2.179   2.483  -8.070
  285    HA   ARG  40           HA       ARG  40   1.646  -0.359  -7.666
  286   1HB   ARG  40          2HB       ARG  40   3.962   1.174  -6.436
  287   2HB   ARG  40          1HB       ARG  40   3.512  -0.479  -6.061
  288   1HG   ARG  40          2HG       ARG  40   3.835  -0.852  -8.615
  289   2HG   ARG  40          1HG       ARG  40   4.764   0.644  -8.499
  290   1HD   ARG  40          2HD       ARG  40   6.272  -1.229  -8.246
  291   2HD   ARG  40          1HD       ARG  40   6.139  -0.386  -6.702
  292    HE   ARG  40           HE       ARG  40   4.238  -2.385  -6.636
  293   1HH1  ARG  40          1HH1      ARG  40   7.773  -2.278  -6.879
  294   2HH1  ARG  40          2HH1      ARG  40   8.001  -3.870  -6.311
  295   1HH2  ARG  40          1HH2      ARG  40   4.562  -4.562  -5.791
  296   2HH2  ARG  40          2HH2      ARG  40   6.130  -5.192  -5.677
  297    H    CYS  41           H        CYS  41   1.286  -0.961  -5.509
  298    HA   CYS  41           HA       CYS  41  -0.479   0.833  -4.146
  299   1HB   CYS  41          2HB       CYS  41  -1.101  -1.428  -4.485
  300   2HB   CYS  41          1HB       CYS  41   0.379  -2.040  -3.778
  301    H    TRP  42           H        TRP  42  -0.041   1.763  -2.221
  302    HA   TRP  42           HA       TRP  42   2.551   1.274  -0.949
  303   1HB   TRP  42          2HB       TRP  42   1.061   3.843  -1.471
  304   2HB   TRP  42          1HB       TRP  42   2.279   3.704  -0.215
  305    HD1  TRP  42           HD       TRP  42   2.011   3.329  -4.084
  306    HE1  TRP  42           1HE      TRP  42   4.315   4.035  -5.059
  307    HE3  TRP  42           3HE      TRP  42   4.605   4.143   0.269
  308    HZ2  TRP  42           2HZ      TRP  42   6.760   4.753  -4.166
  309    HZ3  TRP  42           3HZ      TRP  42   6.881   4.859   0.139
  310    HH2  TRP  42           HH       TRP  42   8.008   5.171  -2.034
  311    H    CYS  43           H        CYS  43   2.227   0.534   1.033
  312    HA   CYS  43           HA       CYS  43  -0.389   0.768   2.282
  313   1HB   CYS  43          2HB       CYS  43   2.075  -0.788   3.081
  314   2HB   CYS  43          1HB       CYS  43   0.511  -0.846   3.888
  315    H    THR  44           H        THR  44  -0.700   2.107   4.047
  316    HA   THR  44           HA       THR  44   1.590   3.712   4.784
  317    HB   THR  44           HB       THR  44  -1.273   4.078   5.708
  318    HG1  THR  44           1HG      THR  44  -0.108   4.983   3.214
  319   1HG2  THR  44          1HG2      THR  44   1.034   5.999   5.305
  320   2HG2  THR  44          2HG2      THR  44   0.480   5.365   6.852
  321   3HG2  THR  44          3HG2      THR  44  -0.559   6.439   5.917
  322    H    ARG  45           H        ARG  45   2.353   3.519   6.878
  323    HA   ARG  45           HA       ARG  45   0.877   1.775   8.657
  324   1HB   ARG  45          2HB       ARG  45   3.063   0.751   9.389
  325   2HB   ARG  45          1HB       ARG  45   2.536   0.307   7.776
  326   1HG   ARG  45          2HG       ARG  45   4.125   1.909   6.817
  327   2HG   ARG  45          1HG       ARG  45   4.650   2.352   8.442
  328   1HD   ARG  45          2HD       ARG  45   5.469   0.112   8.836
  329   2HD   ARG  45          1HD       ARG  45   4.810  -0.431   7.293
  330    HE   ARG  45           HE       ARG  45   6.480   1.518   6.520
  331   1HH1  ARG  45          1HH1      ARG  45   7.028  -1.249   8.668
  332   2HH1  ARG  45          2HH1      ARG  45   8.678  -1.396   8.304
  333   1HH2  ARG  45          1HH2      ARG  45   8.701   1.306   5.980
  334   2HH2  ARG  45          2HH2      ARG  45   9.670   0.103   6.713
  335    H    ASN  46           H        ASN  46   0.935   2.375  10.802
  336    HA   ASN  46           HA       ASN  46   1.688   4.990  11.328
  337   1HB   ASN  46          2HB       ASN  46   0.632   2.692  12.937
  338   2HB   ASN  46          1HB       ASN  46   1.088   4.232  13.640
  339   1HD2  ASN  46          1HD2      ASN  46  -1.538   2.963  13.511
  340   2HD2  ASN  46          2HD2      ASN  46  -2.579   4.062  12.698
  341    H    CYS  47           H        CYS  47   3.512   5.701  12.086
  342    HA   CYS  47           HA       CYS  47   5.401   3.819  13.228
  343   1HB   CYS  47          2HB       CYS  47   7.211   5.299  12.193
  344   2HB   CYS  47          1HB       CYS  47   6.297   4.312  11.063
  Start of MODEL   17
    1   1H    LYS   1          1HT       LYS   1   5.083   8.514  13.659
    2   2H    LYS   1          2HT       LYS   1   3.718   9.484  13.612
    3   3H    LYS   1          3HT       LYS   1   5.223  10.194  13.932
    4    HA   LYS   1           HA       LYS   1   4.572  10.614  11.655
    5   1HB   LYS   1          2HB       LYS   1   6.570   8.344  11.714
    6   2HB   LYS   1          1HB       LYS   1   6.347   9.483  10.429
    7   1HG   LYS   1          2HG       LYS   1   7.205  11.285  11.764
    8   2HG   LYS   1          1HG       LYS   1   7.309  10.230  13.171
    9   1HD   LYS   1          2HD       LYS   1   9.526  10.407  12.274
   10   2HD   LYS   1          1HD       LYS   1   8.931   8.805  11.886
   11   1HE   LYS   1          2HE       LYS   1   8.899  11.126   9.937
   12   2HE   LYS   1          1HE       LYS   1  10.224   9.982  10.056
   13   1HZ   LYS   1          1HZ       LYS   1   7.429   9.394   9.144
   14   2HZ   LYS   1          2HZ       LYS   1   8.597   8.208   9.462
   15   3HZ   LYS   1          3HZ       LYS   1   8.857   9.317   8.268
   16    H    THR   2           H        THR   2   4.652   9.213   9.505
   17    HA   THR   2           HA       THR   2   3.218   6.748   9.897
   18    HB   THR   2           HB       THR   2   2.067   7.259   7.752
   19    HG1  THR   2           1HG      THR   2   3.325   9.229   7.356
   20   1HG2  THR   2          1HG2      THR   2   0.884   7.151   9.871
   21   2HG2  THR   2          2HG2      THR   2   0.202   8.423   8.866
   22   3HG2  THR   2          3HG2      THR   2   1.277   8.839  10.204
   23    H    CYS   3           H        CYS   3   4.093   5.260   8.955
   24    HA   CYS   3           HA       CYS   3   6.287   5.760   7.100
   25   1HB   CYS   3          2HB       CYS   3   5.666   3.379   8.882
   26   2HB   CYS   3          1HB       CYS   3   6.988   3.427   7.725
   27    H    GLU   4           H        GLU   4   6.103   4.996   5.079
   28    HA   GLU   4           HA       GLU   4   3.712   3.442   4.488
   29   1HB   GLU   4          2HB       GLU   4   3.535   5.921   4.004
   30   2HB   GLU   4          1HB       GLU   4   4.836   5.703   2.865
   31   1HG   GLU   4          2HG       GLU   4   3.513   4.304   1.505
   32   2HG   GLU   4          1HG       GLU   4   2.207   4.283   2.699
   33    H    ASN   5           H        ASN   5   4.104   1.783   3.183
   34    HA   ASN   5           HA       ASN   5   6.677   1.610   1.817
   35   1HB   ASN   5          2HB       ASN   5   5.603  -0.445   3.768
   36   2HB   ASN   5          1HB       ASN   5   6.887  -0.764   2.620
   37   1HD2  ASN   5          1HD2      ASN   5   8.880   0.122   2.963
   38   2HD2  ASN   5          2HD2      ASN   5   9.379   0.762   4.489
   39    H    LEU   6           H        LEU   6   6.710  -0.152   0.334
   40    HA   LEU   6           HA       LEU   6   4.423  -0.149  -1.264
   41   1HB   LEU   6          2HB       LEU   6   6.997  -1.512  -1.094
   42   2HB   LEU   6          1HB       LEU   6   5.859  -1.965  -2.335
   43    HG   LEU   6           HG       LEU   6   6.999   0.824  -1.986
   44   1HD1  LEU   6          1HD1      LEU   6   8.389   0.296  -3.919
   45   2HD1  LEU   6          2HD1      LEU   6   7.772  -1.356  -3.925
   46   3HD1  LEU   6          3HD1      LEU   6   8.760  -0.787  -2.578
   47   1HD2  LEU   6          1HD2      LEU   6   6.136   1.158  -4.237
   48   2HD2  LEU   6          2HD2      LEU   6   4.846   0.736  -3.116
   49   3HD2  LEU   6          3HD2      LEU   6   5.477  -0.476  -4.231
   50    H    ALA   7           H        ALA   7   2.931  -1.736  -1.529
   51    HA   ALA   7           HA       ALA   7   2.522  -3.704   0.434
   52   1HB   ALA   7          1HB       ALA   7   0.849  -4.563  -1.185
   53   2HB   ALA   7          2HB       ALA   7   1.468  -3.402  -2.369
   54   3HB   ALA   7          3HB       ALA   7   0.703  -2.831  -0.889
   55    H    ASN   8           H        ASN   8   3.496  -5.578   0.619
   56    HA   ASN   8           HA       ASN   8   5.681  -6.175  -1.145
   57   1HB   ASN   8          2HB       ASN   8   4.692  -7.715   1.260
   58   2HB   ASN   8          1HB       ASN   8   6.185  -8.030   0.390
   59   1HD2  ASN   8          1HD2      ASN   8   4.589  -6.040   2.688
   60   2HD2  ASN   8          2HD2      ASN   8   5.952  -5.104   3.154
   61    H    THR   9           H        THR   9   2.497  -7.373  -0.614
   62    HA   THR   9           HA       THR   9   3.122  -9.612  -2.375
   63    HB   THR   9           HB       THR   9   0.840 -10.499  -1.641
   64    HG1  THR   9           1HG      THR   9   1.185  -8.383   0.256
   65   1HG2  THR   9          1HG2      THR   9   2.980 -10.095   0.454
   66   2HG2  THR   9          2HG2      THR   9   2.942 -11.380  -0.750
   67   3HG2  THR   9          3HG2      THR   9   1.710 -11.314   0.510
   68    H    TYR  10           H        TYR  10   2.415  -6.704  -2.955
   69    HA   TYR  10           HA       TYR  10   0.416  -7.306  -5.037
   70   1HB   TYR  10          2HB       TYR  10  -0.167  -5.417  -3.410
   71   2HB   TYR  10          1HB       TYR  10   1.208  -4.538  -4.057
   72    HD1  TYR  10           1HD      TYR  10  -2.263  -5.350  -4.465
   73    HD2  TYR  10           2HD      TYR  10   1.162  -3.925  -6.561
   74    HE1  TYR  10           1HE      TYR  10  -3.720  -4.451  -6.234
   75    HE2  TYR  10           2HE      TYR  10  -0.287  -3.024  -8.325
   76    HH   TYR  10           HH       TYR  10  -2.543  -3.494  -9.221
   77    H    ARG  11           H        ARG  11   1.416  -7.716  -6.826
   78    HA   ARG  11           HA       ARG  11   3.991  -6.415  -7.346
   79   1HB   ARG  11          2HB       ARG  11   4.178  -8.784  -6.628
   80   2HB   ARG  11          1HB       ARG  11   3.204  -9.248  -8.012
   81   1HG   ARG  11          2HG       ARG  11   4.942  -8.310  -9.486
   82   2HG   ARG  11          1HG       ARG  11   5.927  -7.983  -8.060
   83   1HD   ARG  11          2HD       ARG  11   6.615 -10.086  -9.048
   84   2HD   ARG  11          1HD       ARG  11   5.856 -10.370  -7.481
   85    HE   ARG  11           HE       ARG  11   4.190 -10.553  -9.846
   86   1HH1  ARG  11          1HH1      ARG  11   5.912 -12.291  -7.254
   87   2HH1  ARG  11          2HH1      ARG  11   5.142 -13.772  -7.529
   88   1HH2  ARG  11          1HH2      ARG  11   3.109 -12.603 -10.200
   89   2HH2  ARG  11          2HH2      ARG  11   3.512 -13.951  -9.222
   90    H    GLY  12           H        GLY  12   3.256  -4.911  -8.773
   91   1HA   GLY  12          2HA       GLY  12   3.190  -5.177 -11.362
   92   2HA   GLY  12          1HA       GLY  12   1.548  -5.698 -10.972
   93    HA   PRO  13           HA       PRO  13   1.714  -1.037 -11.051
   94   1HB   PRO  13          2HB       PRO  13  -0.112  -1.082 -13.302
   95   2HB   PRO  13          1HB       PRO  13   1.494  -0.360 -13.210
   96   1HG   PRO  13          2HG       PRO  13   0.943  -2.535 -14.734
   97   2HG   PRO  13          1HG       PRO  13   2.529  -2.229 -14.004
   98   1HD   PRO  13          2HD       PRO  13   0.334  -4.046 -13.063
   99   2HD   PRO  13          1HD       PRO  13   2.085  -4.347 -13.130
  100    H    CYS  14           H        CYS  14   0.284   0.070 -10.023
  101    HA   CYS  14           HA       CYS  14  -2.350  -1.077  -9.487
  102   1HB   CYS  14          2HB       CYS  14  -0.973  -0.973  -7.519
  103   2HB   CYS  14          1HB       CYS  14  -0.532   0.694  -7.862
  104    H    PHE  15           H        PHE  15  -4.112   0.206  -9.801
  105    HA   PHE  15           HA       PHE  15  -3.683   2.984 -10.643
  106   1HB   PHE  15          2HB       PHE  15  -5.454   0.989 -12.070
  107   2HB   PHE  15          1HB       PHE  15  -5.295   2.689 -12.476
  108    HD1  PHE  15           1HD      PHE  15  -3.950  -0.614 -12.892
  109    HD2  PHE  15           2HD      PHE  15  -3.095   3.521 -13.356
  110    HE1  PHE  15           1HE      PHE  15  -2.110  -1.177 -14.416
  111    HE2  PHE  15           2HE      PHE  15  -1.245   2.966 -14.879
  112    HZ   PHE  15           HZ       PHE  15  -0.753   0.619 -15.413
  113    H    THR  16           H        THR  16  -4.992   1.206  -8.335
  114    HA   THR  16           HA       THR  16  -7.285   2.965  -7.990
  115    HB   THR  16           HB       THR  16  -7.518  -0.051  -7.958
  116    HG1  THR  16           1HG      THR  16  -7.775   1.826  -9.830
  117   1HG2  THR  16          1HG2      THR  16  -8.954   1.008  -6.250
  118   2HG2  THR  16          2HG2      THR  16  -9.915   0.335  -7.569
  119   3HG2  THR  16          3HG2      THR  16  -9.618   2.074  -7.489
  120    H    THR  17           H        THR  17  -7.161   3.764  -5.977
  121    HA   THR  17           HA       THR  17  -5.351   2.590  -4.130
  122    HB   THR  17           HB       THR  17  -5.644   5.106  -4.471
  123    HG1  THR  17           1HG      THR  17  -6.037   4.544  -1.775
  124   1HG2  THR  17          1HG2      THR  17  -7.983   4.597  -2.686
  125   2HG2  THR  17          2HG2      THR  17  -8.088   5.251  -4.336
  126   3HG2  THR  17          3HG2      THR  17  -7.302   6.178  -3.031
  127    H    GLY  18           H        GLY  18  -8.772   2.463  -4.539
  128   1HA   GLY  18          2HA       GLY  18  -9.452   1.592  -1.936
  129   2HA   GLY  18          1HA       GLY  18 -10.375   1.293  -3.411
  130    H    SER  19           H        SER  19  -8.235  -0.030  -4.759
  131    HA   SER  19           HA       SER  19  -8.728  -2.664  -3.733
  132   1HB   SER  19          2HB       SER  19  -8.681  -2.088  -6.203
  133   2HB   SER  19          1HB       SER  19  -6.943  -1.841  -6.053
  134    HG   SER  19           HG       SER  19  -8.413  -4.208  -5.613
  135    H    CYS  20           H        CYS  20  -6.220  -0.283  -3.749
  136    HA   CYS  20           HA       CYS  20  -4.124  -1.943  -2.821
  137   1HB   CYS  20          2HB       CYS  20  -3.653   0.258  -3.929
  138   2HB   CYS  20          1HB       CYS  20  -4.467   1.053  -2.639
  139    H    ASP  21           H        ASP  21  -6.398   0.327  -1.171
  140    HA   ASP  21           HA       ASP  21  -5.492  -0.152   1.435
  141   1HB   ASP  21          2HB       ASP  21  -7.062   1.656   0.971
  142   2HB   ASP  21          1HB       ASP  21  -8.326   0.490   0.555
  143    H    ASP  22           H        ASP  22  -8.091  -1.720  -0.363
  144    HA   ASP  22           HA       ASP  22  -8.947  -3.689   1.345
  145   1HB   ASP  22          2HB       ASP  22  -9.896  -3.455  -0.864
  146   2HB   ASP  22          1HB       ASP  22  -8.361  -3.850  -1.617
  147    H    HIS  23           H        HIS  23  -6.201  -3.832  -0.817
  148    HA   HIS  23           HA       HIS  23  -5.261  -6.381  -0.148
  149   1HB   HIS  23          2HB       HIS  23  -4.631  -5.298  -2.225
  150   2HB   HIS  23          1HB       HIS  23  -3.862  -3.988  -1.342
  151    HD1  HIS  23           1HD      HIS  23  -3.355  -7.548  -2.360
  152    HD2  HIS  23           2HD      HIS  23  -1.307  -4.510  -0.430
  153    HE1  HIS  23           1HE      HIS  23  -1.009  -8.362  -2.106
  154    HE2  HIS  23           2HE      HIS  23   0.067  -6.633  -0.620
  155    H    CYS  24           H        CYS  24  -4.159  -3.185   0.965
  156    HA   CYS  24           HA       CYS  24  -2.146  -4.228   2.642
  157   1HB   CYS  24          2HB       CYS  24  -3.497  -1.522   2.655
  158   2HB   CYS  24          1HB       CYS  24  -2.045  -1.899   3.568
  159    H    LYS  25           H        LYS  25  -5.601  -3.632   3.219
  160    HA   LYS  25           HA       LYS  25  -5.456  -3.823   6.012
  161   1HB   LYS  25          2HB       LYS  25  -7.570  -4.071   3.910
  162   2HB   LYS  25          1HB       LYS  25  -7.901  -4.263   5.609
  163   1HG   LYS  25          2HG       LYS  25  -6.621  -1.785   4.520
  164   2HG   LYS  25          1HG       LYS  25  -8.364  -1.999   4.491
  165   1HD   LYS  25          2HD       LYS  25  -8.322  -2.334   6.926
  166   2HD   LYS  25          1HD       LYS  25  -6.588  -2.005   6.916
  167   1HE   LYS  25          2HE       LYS  25  -7.952  -0.029   7.516
  168   2HE   LYS  25          1HE       LYS  25  -6.951   0.213   6.093
  169   1HZ   LYS  25          1HZ       LYS  25  -8.887  -0.074   4.692
  170   2HZ   LYS  25          2HZ       LYS  25  -9.192   1.098   5.850
  171   3HZ   LYS  25          3HZ       LYS  25  -9.860  -0.429   6.037
  172    H    ASN  26           H        ASN  26  -6.855  -5.947   3.511
  173    HA   ASN  26           HA       ASN  26  -7.337  -8.042   5.304
  174   1HB   ASN  26          2HB       ASN  26  -8.821  -7.748   3.513
  175   2HB   ASN  26          1HB       ASN  26  -7.528  -7.755   2.325
  176   1HD2  ASN  26          1HD2      ASN  26  -6.848  -9.678   1.512
  177   2HD2  ASN  26          2HD2      ASN  26  -7.549 -11.202   1.892
  178    H    LYS  27           H        LYS  27  -4.858  -7.585   2.844
  179    HA   LYS  27           HA       LYS  27  -3.859 -10.257   3.387
  180   1HB   LYS  27          2HB       LYS  27  -4.095  -9.520   1.082
  181   2HB   LYS  27          1HB       LYS  27  -2.994  -8.188   1.370
  182   1HG   LYS  27          2HG       LYS  27  -1.822  -9.894   0.183
  183   2HG   LYS  27          1HG       LYS  27  -1.209  -9.860   1.834
  184   1HD   LYS  27          2HD       LYS  27  -2.560 -11.801   2.398
  185   2HD   LYS  27          1HD       LYS  27  -3.271 -11.802   0.786
  186   1HE   LYS  27          2HE       LYS  27  -1.001 -12.142  -0.158
  187   2HE   LYS  27          1HE       LYS  27  -0.374 -12.269   1.481
  188   1HZ   LYS  27          1HZ       LYS  27  -0.773 -14.436   0.551
  189   2HZ   LYS  27          2HZ       LYS  27  -2.379 -14.052   0.229
  190   3HZ   LYS  27          3HZ       LYS  27  -1.857 -14.177   1.822
  191    H    GLU  28           H        GLU  28  -2.783  -6.875   3.729
  192    HA   GLU  28           HA       GLU  28  -0.367  -7.999   4.905
  193   1HB   GLU  28          2HB       GLU  28  -0.653  -5.284   3.640
  194   2HB   GLU  28          1HB       GLU  28   0.832  -5.919   4.350
  195   1HG   GLU  28          2HG       GLU  28   0.423  -7.938   2.781
  196   2HG   GLU  28          1HG       GLU  28  -0.656  -6.871   1.946
  197    H    HIS  29           H        HIS  29  -3.109  -6.636   5.927
  198    HA   HIS  29           HA       HIS  29  -3.896  -6.041   7.921
  199   1HB   HIS  29          2HB       HIS  29  -2.604  -8.171   8.476
  200   2HB   HIS  29          1HB       HIS  29  -1.345  -7.124   9.110
  201    HD1  HIS  29           1HD      HIS  29  -1.561  -6.524  11.507
  202    HD2  HIS  29           2HD      HIS  29  -5.165  -7.749   9.879
  203    HE1  HIS  29           1HE      HIS  29  -3.173  -6.632  13.446
  204    HE2  HIS  29           2HE      HIS  29  -5.319  -7.486  12.445
  205    H    LEU  30           H        LEU  30  -2.465  -3.969   6.567
  206    HA   LEU  30           HA       LEU  30  -1.246  -2.573   8.831
  207   1HB   LEU  30          2HB       LEU  30  -0.947  -1.975   5.896
  208   2HB   LEU  30          1HB       LEU  30  -0.285  -0.989   7.170
  209    HG   LEU  30           HG       LEU  30   0.491  -3.863   6.668
  210   1HD1  LEU  30          1HD1      LEU  30   1.989  -1.301   6.174
  211   2HD1  LEU  30          2HD1      LEU  30   1.346  -2.402   4.950
  212   3HD1  LEU  30          3HD1      LEU  30   2.642  -2.931   6.008
  213   1HD2  LEU  30          1HD2      LEU  30   2.250  -3.407   8.325
  214   2HD2  LEU  30          2HD2      LEU  30   0.639  -3.333   9.022
  215   3HD2  LEU  30          3HD2      LEU  30   1.511  -1.841   8.662
  216    H    ARG  31           H        ARG  31  -1.429  -0.012   8.173
  217    HA   ARG  31           HA       ARG  31  -3.859   0.606   9.443
  218   1HB   ARG  31          2HB       ARG  31  -1.670   1.943   9.415
  219   2HB   ARG  31          1HB       ARG  31  -2.173   2.536   7.898
  220   1HG   ARG  31          2HG       ARG  31  -4.180   3.531   8.756
  221   2HG   ARG  31          1HG       ARG  31  -3.843   2.900  10.364
  222   1HD   ARG  31          2HD       ARG  31  -3.194   5.215  10.303
  223   2HD   ARG  31          1HD       ARG  31  -1.759   4.221  10.394
  224    HE   ARG  31           HE       ARG  31  -1.406   4.632   8.034
  225   1HH1  ARG  31          1HH1      ARG  31  -3.745   6.810   9.610
  226   2HH1  ARG  31          2HH1      ARG  31  -3.394   8.141   8.633
  227   1HH2  ARG  31          1HH2      ARG  31  -0.928   6.496   6.657
  228   2HH2  ARG  31          2HH2      ARG  31  -1.807   7.937   6.886
  229    H    SER  32           H        SER  32  -2.793   1.447   6.170
  230    HA   SER  32           HA       SER  32  -5.395   1.035   5.026
  231   1HB   SER  32          2HB       SER  32  -4.148   3.785   4.839
  232   2HB   SER  32          1HB       SER  32  -5.727   3.283   4.271
  233    HG   SER  32           HG       SER  32  -5.833   2.767   6.774
  234    H    GLY  33           H        GLY  33  -5.076   1.839   2.676
  235   1HA   GLY  33          2HA       GLY  33  -2.291   1.571   1.866
  236   2HA   GLY  33          1HA       GLY  33  -3.472   0.466   1.165
  237    H    ARG  34           H        ARG  34  -1.787   2.697   0.076
  238    HA   ARG  34           HA       ARG  34  -3.967   3.961  -1.385
  239   1HB   ARG  34          2HB       ARG  34  -1.669   5.402  -0.111
  240   2HB   ARG  34          1HB       ARG  34  -2.497   6.006  -1.544
  241   1HG   ARG  34          2HG       ARG  34  -4.531   5.991  -0.427
  242   2HG   ARG  34          1HG       ARG  34  -3.801   5.430   1.098
  243   1HD   ARG  34          2HD       ARG  34  -3.295   8.049  -0.350
  244   2HD   ARG  34          1HD       ARG  34  -4.058   7.850   1.227
  245    HE   ARG  34           HE       ARG  34  -1.465   6.750   1.285
  246   1HH1  ARG  34          1HH1      ARG  34  -3.031   9.926   1.152
  247   2HH1  ARG  34          2HH1      ARG  34  -1.741  10.749   1.889
  248   1HH2  ARG  34          1HH2      ARG  34   0.322   7.860   2.232
  249   2HH2  ARG  34          2HH2      ARG  34   0.219   9.533   2.543
  250    H    CYS  35           H        CYS  35  -3.689   4.386  -3.228
  251    HA   CYS  35           HA       CYS  35  -1.425   3.036  -4.523
  252   1HB   CYS  35          2HB       CYS  35  -3.722   2.295  -5.088
  253   2HB   CYS  35          1HB       CYS  35  -4.027   3.891  -5.788
  254    H    ARG  36           H        ARG  36   0.085   4.391  -4.820
  255    HA   ARG  36           HA       ARG  36  -0.430   7.212  -5.184
  256   1HB   ARG  36          2HB       ARG  36   2.107   5.590  -4.931
  257   2HB   ARG  36          1HB       ARG  36   2.082   7.340  -5.112
  258   1HG   ARG  36          2HG       ARG  36   0.883   7.570  -3.026
  259   2HG   ARG  36          1HG       ARG  36   0.740   5.832  -2.885
  260   1HD   ARG  36          2HD       ARG  36   2.496   6.796  -1.440
  261   2HD   ARG  36          1HD       ARG  36   3.083   5.583  -2.560
  262    HE   ARG  36           HE       ARG  36   3.545   7.914  -3.858
  263   1HH1  ARG  36          1HH1      ARG  36   4.268   6.927  -0.535
  264   2HH1  ARG  36          2HH1      ARG  36   5.819   7.614  -0.492
  265   1HH2  ARG  36          1HH2      ARG  36   5.645   8.847  -3.851
  266   2HH2  ARG  36          2HH2      ARG  36   6.642   8.778  -2.462
  267    H    ASP  37           H        ASP  37   0.683   8.380  -6.969
  268    HA   ASP  37           HA       ASP  37   0.216   7.046  -9.480
  269   1HB   ASP  37          2HB       ASP  37   1.337   9.813  -8.938
  270   2HB   ASP  37          1HB       ASP  37   0.971   9.191 -10.542
  271    H    ASP  38           H        ASP  38   2.399   6.569  -7.507
  272    HA   ASP  38           HA       ASP  38   4.843   6.326  -8.988
  273   1HB   ASP  38          2HB       ASP  38   4.749   6.490  -6.517
  274   2HB   ASP  38          1HB       ASP  38   3.829   5.000  -6.459
  275    H    PHE  39           H        PHE  39   1.834   4.875  -8.911
  276    HA   PHE  39           HA       PHE  39   0.801   3.256 -10.006
  277   1HB   PHE  39          2HB       PHE  39   3.476   2.702 -11.321
  278   2HB   PHE  39          1HB       PHE  39   1.974   1.903 -11.757
  279    HD1  PHE  39           1HD      PHE  39   0.070   3.289 -12.630
  280    HD2  PHE  39           2HD      PHE  39   4.013   4.820 -12.208
  281    HE1  PHE  39           1HE      PHE  39  -0.476   5.110 -14.184
  282    HE2  PHE  39           2HE      PHE  39   3.472   6.649 -13.764
  283    HZ   PHE  39           HZ       PHE  39   1.224   6.796 -14.753
  284    H    ARG  40           H        ARG  40   2.229   2.900  -7.470
  285    HA   ARG  40           HA       ARG  40   1.978  -0.016  -7.407
  286   1HB   ARG  40          2HB       ARG  40   4.056   1.585  -5.911
  287   2HB   ARG  40          1HB       ARG  40   3.782  -0.138  -5.750
  288   1HG   ARG  40          2HG       ARG  40   4.676   1.254  -8.250
  289   2HG   ARG  40          1HG       ARG  40   5.728   0.405  -7.105
  290   1HD   ARG  40          2HD       ARG  40   3.463  -0.891  -8.635
  291   2HD   ARG  40          1HD       ARG  40   5.145  -0.898  -9.149
  292    HE   ARG  40           HE       ARG  40   4.560  -1.962  -6.506
  293   1HH1  ARG  40          1HH1      ARG  40   5.141  -2.653  -9.924
  294   2HH1  ARG  40          2HH1      ARG  40   5.776  -4.201  -9.674
  295   1HH2  ARG  40          1HH2      ARG  40   5.413  -4.134  -6.128
  296   2HH2  ARG  40          2HH2      ARG  40   5.949  -5.059  -7.445
  297    H    CYS  41           H        CYS  41   1.477  -0.823  -5.306
  298    HA   CYS  41           HA       CYS  41  -0.378   0.886  -3.918
  299   1HB   CYS  41          2HB       CYS  41  -1.087  -1.258  -4.564
  300   2HB   CYS  41          1HB       CYS  41   0.287  -2.061  -3.805
  301    H    TRP  42           H        TRP  42   0.217   1.927  -2.162
  302    HA   TRP  42           HA       TRP  42   2.580   1.027  -0.700
  303   1HB   TRP  42          2HB       TRP  42   1.445   3.762  -1.238
  304   2HB   TRP  42          1HB       TRP  42   2.559   3.466   0.082
  305    HD1  TRP  42           HD       TRP  42   2.440   3.404  -3.784
  306    HE1  TRP  42           1HE      TRP  42   4.892   3.758  -4.656
  307    HE3  TRP  42           3HE      TRP  42   4.983   3.349   0.698
  308    HZ2  TRP  42           2HZ      TRP  42   7.444   4.024  -3.568
  309    HZ3  TRP  42           3HZ      TRP  42   7.353   3.694   0.682
  310    HH2  TRP  42           HH       TRP  42   8.582   4.015  -1.379
  311    H    CYS  43           H        CYS  43   2.055   0.246   1.182
  312    HA   CYS  43           HA       CYS  43  -0.531   0.713   2.416
  313   1HB   CYS  43          2HB       CYS  43   1.790  -1.025   3.266
  314   2HB   CYS  43          1HB       CYS  43   0.155  -1.055   3.915
  315    H    THR  44           H        THR  44  -0.703   1.974   4.338
  316    HA   THR  44           HA       THR  44   1.760   3.320   5.054
  317    HB   THR  44           HB       THR  44   0.221   4.840   3.963
  318    HG1  THR  44           1HG      THR  44   0.964   6.137   5.422
  319   1HG2  THR  44          1HG2      THR  44  -1.844   3.994   5.996
  320   2HG2  THR  44          2HG2      THR  44  -1.872   3.645   4.268
  321   3HG2  THR  44          3HG2      THR  44  -2.037   5.308   4.836
  322    H    ARG  45           H        ARG  45   1.959   3.740   7.322
  323    HA   ARG  45           HA       ARG  45   0.133   2.488   9.166
  324   1HB   ARG  45          2HB       ARG  45   2.001   1.120  10.190
  325   2HB   ARG  45          1HB       ARG  45   1.465   0.547   8.614
  326   1HG   ARG  45          2HG       ARG  45   3.392   1.669   7.583
  327   2HG   ARG  45          1HG       ARG  45   3.911   2.200   9.176
  328   1HD   ARG  45          2HD       ARG  45   4.323  -0.054   9.869
  329   2HD   ARG  45          1HD       ARG  45   3.579  -0.688   8.398
  330    HE   ARG  45           HE       ARG  45   5.441   0.612   7.241
  331   1HH1  ARG  45          1HH1      ARG  45   5.923  -0.950  10.402
  332   2HH1  ARG  45          2HH1      ARG  45   7.565  -1.285  10.123
  333   1HH2  ARG  45          1HH2      ARG  45   7.678   0.210   6.893
  334   2HH2  ARG  45          2HH2      ARG  45   8.623  -0.561   8.064
  335    H    ASN  46           H        ASN  46   0.547   3.135  11.357
  336    HA   ASN  46           HA       ASN  46   1.705   5.712  11.515
  337   1HB   ASN  46          2HB       ASN  46   0.242   3.849  13.348
  338   2HB   ASN  46          1HB       ASN  46   0.899   5.380  13.877
  339   1HD2  ASN  46          1HD2      ASN  46  -1.855   4.369  13.755
  340   2HD2  ASN  46          2HD2      ASN  46  -2.746   5.518  12.836
  341    H    CYS  47           H        CYS  47   3.575   6.171  12.615
  342    HA   CYS  47           HA       CYS  47   4.860   4.102  14.123
  343   1HB   CYS  47          2HB       CYS  47   7.064   4.528  12.887
  344   2HB   CYS  47          1HB       CYS  47   5.861   3.579  12.023
  Start of MODEL   18
    1   1H    LYS   1          1HT       LYS   1   4.958   8.286  13.670
    2   2H    LYS   1          2HT       LYS   1   3.357   8.690  13.783
    3   3H    LYS   1          3HT       LYS   1   4.516   9.784  14.344
    4    HA   LYS   1           HA       LYS   1   3.673  10.502  12.171
    5   1HB   LYS   1          2HB       LYS   1   6.316   9.082  11.762
    6   2HB   LYS   1          1HB       LYS   1   5.690  10.409  10.815
    7   1HG   LYS   1          2HG       LYS   1   5.896  11.901  12.712
    8   2HG   LYS   1          1HG       LYS   1   6.499  10.572  13.705
    9   1HD   LYS   1          2HD       LYS   1   8.387  10.305  12.111
   10   2HD   LYS   1          1HD       LYS   1   7.788  11.705  11.227
   11   1HE   LYS   1          2HE       LYS   1   9.623  12.293  12.738
   12   2HE   LYS   1          1HE       LYS   1   8.129  13.116  13.174
   13   1HZ   LYS   1          1HZ       LYS   1   9.359  12.195  15.076
   14   2HZ   LYS   1          2HZ       LYS   1   9.069  10.627  14.524
   15   3HZ   LYS   1          3HZ       LYS   1   7.796  11.629  14.965
   16    H    THR   2           H        THR   2   4.174   9.692   9.724
   17    HA   THR   2           HA       THR   2   3.207   6.961   9.648
   18    HB   THR   2           HB       THR   2   2.051   7.568   7.508
   19    HG1  THR   2           1HG      THR   2   2.370  10.230   8.531
   20   1HG2  THR   2          1HG2      THR   2   0.050   8.481   8.640
   21   2HG2  THR   2          2HG2      THR   2   1.042   8.841  10.052
   22   3HG2  THR   2          3HG2      THR   2   0.791   7.167   9.551
   23    H    CYS   3           H        CYS   3   4.214   5.646   8.451
   24    HA   CYS   3           HA       CYS   3   6.323   6.635   6.695
   25   1HB   CYS   3          2HB       CYS   3   6.189   4.113   8.408
   26   2HB   CYS   3          1HB       CYS   3   7.471   4.473   7.257
   27    H    GLU   4           H        GLU   4   6.234   5.751   4.583
   28    HA   GLU   4           HA       GLU   4   4.105   3.798   4.197
   29   1HB   GLU   4          2HB       GLU   4   3.389   6.208   3.760
   30   2HB   GLU   4          1HB       GLU   4   4.531   6.205   2.440
   31   1HG   GLU   4          2HG       GLU   4   3.319   4.588   1.254
   32   2HG   GLU   4          1HG       GLU   4   2.322   4.215   2.658
   33    H    ASN   5           H        ASN   5   4.461   2.407   2.477
   34    HA   ASN   5           HA       ASN   5   6.703   2.666   0.707
   35   1HB   ASN   5          2HB       ASN   5   7.692   1.834   2.978
   36   2HB   ASN   5          1HB       ASN   5   6.802   0.351   2.628
   37   1HD2  ASN   5          1HD2      ASN   5   8.705  -0.837   2.396
   38   2HD2  ASN   5          2HD2      ASN   5   9.716  -0.627   1.016
   39    H    LEU   6           H        LEU   6   6.832   0.622  -0.571
   40    HA   LEU   6           HA       LEU   6   4.334   0.212  -1.682
   41   1HB   LEU   6          2HB       LEU   6   6.969  -1.113  -1.923
   42   2HB   LEU   6          1HB       LEU   6   5.613  -1.321  -3.010
   43    HG   LEU   6           HG       LEU   6   7.041   1.301  -2.558
   44   1HD1  LEU   6          1HD1      LEU   6   7.265  -0.685  -4.799
   45   2HD1  LEU   6          2HD1      LEU   6   8.503  -0.338  -3.590
   46   3HD1  LEU   6          3HD1      LEU   6   8.026   0.905  -4.746
   47   1HD2  LEU   6          1HD2      LEU   6   5.844   1.970  -4.580
   48   2HD2  LEU   6          2HD2      LEU   6   4.733   1.542  -3.286
   49   3HD2  LEU   6          3HD2      LEU   6   5.033   0.405  -4.605
   50    H    ALA   7           H        ALA   7   3.080  -1.538  -1.644
   51    HA   ALA   7           HA       ALA   7   2.980  -3.302   0.540
   52   1HB   ALA   7          1HB       ALA   7   1.030  -2.787  -0.821
   53   2HB   ALA   7          2HB       ALA   7   1.309  -4.529  -0.776
   54   3HB   ALA   7          3HB       ALA   7   1.773  -3.591  -2.199
   55    H    ASN   8           H        ASN   8   3.702  -5.337   0.826
   56    HA   ASN   8           HA       ASN   8   6.110  -6.018  -0.595
   57   1HB   ASN   8          2HB       ASN   8   4.665  -7.445   1.642
   58   2HB   ASN   8          1HB       ASN   8   6.253  -7.876   1.029
   59   1HD2  ASN   8          1HD2      ASN   8   4.407  -5.555   2.827
   60   2HD2  ASN   8          2HD2      ASN   8   5.758  -4.759   3.556
   61    H    THR   9           H        THR   9   2.892  -7.339  -0.286
   62    HA   THR   9           HA       THR   9   3.714  -9.459  -2.122
   63    HB   THR   9           HB       THR   9   1.633 -10.678  -1.310
   64    HG1  THR   9           1HG      THR   9   1.675  -8.465   0.460
   65   1HG2  THR   9          1HG2      THR   9   3.791 -10.057   0.707
   66   2HG2  THR   9          2HG2      THR   9   3.889 -11.277  -0.563
   67   3HG2  THR   9          3HG2      THR   9   2.719 -11.457   0.746
   68    H    TYR  10           H        TYR  10   2.606  -6.656  -2.575
   69    HA   TYR  10           HA       TYR  10   0.433  -7.437  -4.408
   70   1HB   TYR  10          2HB       TYR  10   0.277  -5.374  -2.831
   71   2HB   TYR  10          1HB       TYR  10   1.392  -4.611  -3.958
   72    HD1  TYR  10           1HD      TYR  10  -2.005  -5.483  -3.230
   73    HD2  TYR  10           2HD      TYR  10   0.592  -4.263  -6.377
   74    HE1  TYR  10           1HE      TYR  10  -3.948  -4.769  -4.534
   75    HE2  TYR  10           2HE      TYR  10  -1.365  -3.543  -7.703
   76    HH   TYR  10           HH       TYR  10  -3.786  -4.040  -7.817
   77    H    ARG  11           H        ARG  11   1.262  -8.126  -6.186
   78    HA   ARG  11           HA       ARG  11   3.860  -7.147  -7.118
   79   1HB   ARG  11          2HB       ARG  11   3.300  -9.619  -6.668
   80   2HB   ARG  11          1HB       ARG  11   2.290  -9.535  -8.088
   81   1HG   ARG  11          2HG       ARG  11   5.276  -9.087  -8.065
   82   2HG   ARG  11          1HG       ARG  11   4.486 -10.602  -8.479
   83   1HD   ARG  11          2HD       ARG  11   4.297  -7.982  -9.970
   84   2HD   ARG  11          1HD       ARG  11   5.143  -9.441 -10.487
   85    HE   ARG  11           HE       ARG  11   2.537 -10.192 -10.105
   86   1HH1  ARG  11          1HH1      ARG  11   4.246  -7.904 -12.175
   87   2HH1  ARG  11          2HH1      ARG  11   3.064  -7.915 -13.402
   88   1HH2  ARG  11          1HH2      ARG  11   0.922 -10.217 -11.818
   89   2HH2  ARG  11          2HH2      ARG  11   1.163  -9.230 -13.183
   90    H    GLY  12           H        GLY  12   3.957  -5.888  -8.915
   91   1HA   GLY  12          2HA       GLY  12   3.439  -5.461 -11.173
   92   2HA   GLY  12          1HA       GLY  12   1.846  -6.148 -10.914
   93    HA   PRO  13           HA       PRO  13   1.633  -1.488 -10.871
   94   1HB   PRO  13          2HB       PRO  13  -0.235  -1.807 -13.109
   95   2HB   PRO  13          1HB       PRO  13   1.231  -0.827 -13.013
   96   1HG   PRO  13          2HG       PRO  13   1.100  -3.027 -14.555
   97   2HG   PRO  13          1HG       PRO  13   2.591  -2.543 -13.727
   98   1HD   PRO  13          2HD       PRO  13   0.574  -4.618 -12.915
   99   2HD   PRO  13          1HD       PRO  13   2.351  -4.724 -12.924
  100    H    CYS  14           H        CYS  14   0.019  -0.361 -10.015
  101    HA   CYS  14           HA       CYS  14  -2.349  -1.823  -9.128
  102   1HB   CYS  14          2HB       CYS  14  -0.980  -1.008  -7.318
  103   2HB   CYS  14          1HB       CYS  14  -0.875   0.581  -8.062
  104    H    PHE  15           H        PHE  15  -4.338  -0.943  -9.564
  105    HA   PHE  15           HA       PHE  15  -4.338   1.541 -11.140
  106   1HB   PHE  15          2HB       PHE  15  -6.130  -0.859 -11.592
  107   2HB   PHE  15          1HB       PHE  15  -6.133   0.635 -12.518
  108    HD1  PHE  15           1HD      PHE  15  -4.124   1.199 -13.924
  109    HD2  PHE  15           2HD      PHE  15  -4.644  -2.612 -12.097
  110    HE1  PHE  15           1HE      PHE  15  -2.462   0.234 -15.458
  111    HE2  PHE  15           2HE      PHE  15  -2.980  -3.577 -13.625
  112    HZ   PHE  15           HZ       PHE  15  -1.888  -2.158 -15.305
  113    H    THR  16           H        THR  16  -5.300   0.229  -8.246
  114    HA   THR  16           HA       THR  16  -7.525   2.063  -7.975
  115    HB   THR  16           HB       THR  16  -7.970  -0.924  -7.637
  116    HG1  THR  16           1HG      THR  16  -8.285   0.817  -9.733
  117   1HG2  THR  16          1HG2      THR  16  -9.314   0.446  -6.092
  118   2HG2  THR  16          2HG2      THR  16 -10.320  -0.320  -7.317
  119   3HG2  THR  16          3HG2      THR  16  -9.909   1.391  -7.460
  120    H    THR  17           H        THR  17  -7.376   2.965  -5.972
  121    HA   THR  17           HA       THR  17  -5.695   2.055  -3.928
  122    HB   THR  17           HB       THR  17  -7.886   4.131  -4.020
  123    HG1  THR  17           1HG      THR  17  -6.283   5.129  -4.875
  124   1HG2  THR  17          1HG2      THR  17  -6.056   3.517  -1.672
  125   2HG2  THR  17          2HG2      THR  17  -7.809   3.385  -1.695
  126   3HG2  THR  17          3HG2      THR  17  -7.046   4.968  -1.829
  127    H    GLY  18           H        GLY  18  -9.091   1.565  -4.569
  128   1HA   GLY  18          2HA       GLY  18  -9.847   0.407  -2.123
  129   2HA   GLY  18          1HA       GLY  18 -10.630   0.106  -3.670
  130    H    SER  19           H        SER  19  -7.945  -0.834  -4.689
  131    HA   SER  19           HA       SER  19  -8.212  -3.591  -3.855
  132   1HB   SER  19          2HB       SER  19  -7.906  -3.075  -6.256
  133   2HB   SER  19          1HB       SER  19  -6.390  -2.264  -5.896
  134    HG   SER  19           HG       SER  19  -5.470  -4.097  -6.062
  135    H    CYS  20           H        CYS  20  -5.931  -0.935  -3.752
  136    HA   CYS  20           HA       CYS  20  -3.803  -2.366  -2.596
  137   1HB   CYS  20          2HB       CYS  20  -3.483  -0.275  -3.886
  138   2HB   CYS  20          1HB       CYS  20  -4.302   0.615  -2.643
  139    H    ASP  21           H        ASP  21  -6.201  -0.115  -1.111
  140    HA   ASP  21           HA       ASP  21  -5.254  -0.263   1.529
  141   1HB   ASP  21          2HB       ASP  21  -6.869   1.405   0.907
  142   2HB   ASP  21          1HB       ASP  21  -8.054   0.180   0.465
  143    H    ASP  22           H        ASP  22  -7.676  -2.125  -0.120
  144    HA   ASP  22           HA       ASP  22  -8.570  -3.859   1.845
  145   1HB   ASP  22          2HB       ASP  22  -9.517  -3.663  -0.405
  146   2HB   ASP  22          1HB       ASP  22  -8.054  -4.347  -1.076
  147    H    HIS  23           H        HIS  23  -5.889  -4.179  -0.373
  148    HA   HIS  23           HA       HIS  23  -4.974  -6.692   0.514
  149   1HB   HIS  23          2HB       HIS  23  -4.468  -5.917  -1.708
  150   2HB   HIS  23          1HB       HIS  23  -3.652  -4.498  -1.075
  151    HD1  HIS  23           1HD      HIS  23  -3.187  -8.174  -1.612
  152    HD2  HIS  23           2HD      HIS  23  -1.034  -4.887  -0.285
  153    HE1  HIS  23           1HE      HIS  23  -0.828  -8.949  -1.405
  154    HE2  HIS  23           2HE      HIS  23   0.345  -7.005  -0.281
  155    H    CYS  24           H        CYS  24  -3.766  -3.399   1.156
  156    HA   CYS  24           HA       CYS  24  -1.643  -4.224   2.794
  157   1HB   CYS  24          2HB       CYS  24  -3.093  -1.583   2.625
  158   2HB   CYS  24          1HB       CYS  24  -1.607  -1.801   3.524
  159    H    LYS  25           H        LYS  25  -5.015  -3.531   3.512
  160    HA   LYS  25           HA       LYS  25  -4.560  -3.453   6.328
  161   1HB   LYS  25          2HB       LYS  25  -6.663  -2.780   4.547
  162   2HB   LYS  25          1HB       LYS  25  -7.296  -3.876   5.761
  163   1HG   LYS  25          2HG       LYS  25  -5.773  -1.350   6.360
  164   2HG   LYS  25          1HG       LYS  25  -7.530  -1.511   6.371
  165   1HD   LYS  25          2HD       LYS  25  -7.412  -3.131   8.156
  166   2HD   LYS  25          1HD       LYS  25  -5.647  -3.113   8.109
  167   1HE   LYS  25          2HE       LYS  25  -6.539  -1.759   9.951
  168   2HE   LYS  25          1HE       LYS  25  -5.631  -0.788   8.792
  169   1HZ   LYS  25          1HZ       LYS  25  -7.681   0.296   9.460
  170   2HZ   LYS  25          2HZ       LYS  25  -8.594  -0.997   8.929
  171   3HZ   LYS  25          3HZ       LYS  25  -7.722  -0.060   7.823
  172    H    ASN  26           H        ASN  26  -6.315  -5.741   4.195
  173    HA   ASN  26           HA       ASN  26  -6.654  -7.440   6.464
  174   1HB   ASN  26          2HB       ASN  26  -8.536  -7.227   5.073
  175   2HB   ASN  26          1HB       ASN  26  -7.623  -7.602   3.624
  176   1HD2  ASN  26          1HD2      ASN  26  -7.259  -9.706   3.106
  177   2HD2  ASN  26          2HD2      ASN  26  -7.992 -11.030   3.930
  178    H    LYS  27           H        LYS  27  -4.611  -7.493   3.590
  179    HA   LYS  27           HA       LYS  27  -3.737 -10.141   4.380
  180   1HB   LYS  27          2HB       LYS  27  -4.064  -9.479   1.881
  181   2HB   LYS  27          1HB       LYS  27  -2.600  -8.549   2.070
  182   1HG   LYS  27          2HG       LYS  27  -2.701 -11.509   2.613
  183   2HG   LYS  27          1HG       LYS  27  -2.378 -10.847   1.018
  184   1HD   LYS  27          2HD       LYS  27  -0.365  -9.788   1.815
  185   2HD   LYS  27          1HD       LYS  27  -0.757 -10.206   3.481
  186   1HE   LYS  27          2HE       LYS  27   0.967 -11.675   2.553
  187   2HE   LYS  27          1HE       LYS  27  -0.489 -12.568   2.973
  188   1HZ   LYS  27          1HZ       LYS  27  -1.096 -12.645   0.655
  189   2HZ   LYS  27          2HZ       LYS  27   0.457 -13.224   0.832
  190   3HZ   LYS  27          3HZ       LYS  27   0.199 -11.670   0.221
  191    H    GLU  28           H        GLU  28  -2.250  -6.901   3.994
  192    HA   GLU  28           HA       GLU  28   0.107  -8.051   5.215
  193   1HB   GLU  28          2HB       GLU  28  -0.178  -5.330   3.939
  194   2HB   GLU  28          1HB       GLU  28   1.332  -6.018   4.539
  195   1HG   GLU  28          2HG       GLU  28   0.753  -8.015   3.011
  196   2HG   GLU  28          1HG       GLU  28  -0.351  -6.913   2.245
  197    H    HIS  29           H        HIS  29  -2.523  -6.427   6.222
  198    HA   HIS  29           HA       HIS  29  -3.256  -5.747   8.157
  199   1HB   HIS  29          2HB       HIS  29  -0.877  -7.272   9.191
  200   2HB   HIS  29          1HB       HIS  29  -2.034  -6.510  10.276
  201    HD1  HIS  29           1HD      HIS  29  -4.303  -7.619  10.528
  202    HD2  HIS  29           2HD      HIS  29  -1.860  -9.511   7.766
  203    HE1  HIS  29           1HE      HIS  29  -5.403  -9.840  10.051
  204    HE2  HIS  29           2HE      HIS  29  -3.889 -10.977   8.411
  205    H    LEU  30           H        LEU  30  -1.689  -3.894   6.752
  206    HA   LEU  30           HA       LEU  30  -0.381  -2.381   8.877
  207   1HB   LEU  30          2HB       LEU  30  -0.419  -1.948   5.890
  208   2HB   LEU  30          1HB       LEU  30   0.430  -0.914   7.023
  209    HG   LEU  30           HG       LEU  30   1.053  -3.830   6.500
  210   1HD1  LEU  30          1HD1      LEU  30   3.150  -2.992   5.579
  211   2HD1  LEU  30          2HD1      LEU  30   2.571  -1.337   5.778
  212   3HD1  LEU  30          3HD1      LEU  30   1.748  -2.436   4.667
  213   1HD2  LEU  30          1HD2      LEU  30   1.500  -3.253   8.815
  214   2HD2  LEU  30          2HD2      LEU  30   2.427  -1.841   8.311
  215   3HD2  LEU  30          3HD2      LEU  30   3.009  -3.461   7.928
  216    H    ARG  31           H        ARG  31  -0.827   0.238   7.914
  217    HA   ARG  31           HA       ARG  31  -3.261   0.753   9.245
  218   1HB   ARG  31          2HB       ARG  31  -1.261   2.345   9.077
  219   2HB   ARG  31          1HB       ARG  31  -1.725   2.578   7.453
  220   1HG   ARG  31          2HG       ARG  31  -3.830   3.551   7.980
  221   2HG   ARG  31          1HG       ARG  31  -3.611   3.214   9.694
  222   1HD   ARG  31          2HD       ARG  31  -1.806   4.766   9.836
  223   2HD   ARG  31          1HD       ARG  31  -1.777   4.968   8.085
  224    HE   ARG  31           HE       ARG  31  -4.226   5.748   8.586
  225   1HH1  ARG  31          1HH1      ARG  31  -1.420   6.516  10.598
  226   2HH1  ARG  31          2HH1      ARG  31  -1.882   8.130  10.857
  227   1HH2  ARG  31          1HH2      ARG  31  -4.867   7.918   8.955
  228   2HH2  ARG  31          2HH2      ARG  31  -3.889   8.966   9.884
  229    H    SER  32           H        SER  32  -2.384   1.397   5.863
  230    HA   SER  32           HA       SER  32  -4.965   0.681   4.829
  231   1HB   SER  32          2HB       SER  32  -4.042   3.568   4.608
  232   2HB   SER  32          1HB       SER  32  -5.527   2.876   3.979
  233    HG   SER  32           HG       SER  32  -5.614   2.285   6.441
  234    H    GLY  33           H        GLY  33  -4.791   1.625   2.401
  235   1HA   GLY  33          2HA       GLY  33  -2.044   1.563   1.504
  236   2HA   GLY  33          1HA       GLY  33  -3.116   0.285   0.923
  237    H    ARG  34           H        ARG  34  -1.769   2.616  -0.369
  238    HA   ARG  34           HA       ARG  34  -4.150   3.580  -1.768
  239   1HB   ARG  34          2HB       ARG  34  -1.976   5.272  -0.637
  240   2HB   ARG  34          1HB       ARG  34  -2.897   5.770  -2.049
  241   1HG   ARG  34          2HG       ARG  34  -4.885   5.654  -0.881
  242   2HG   ARG  34          1HG       ARG  34  -4.111   5.051   0.599
  243   1HD   ARG  34          2HD       ARG  34  -3.676   7.737  -0.726
  244   2HD   ARG  34          1HD       ARG  34  -4.485   7.462   0.815
  245    HE   ARG  34           HE       ARG  34  -1.912   6.370   0.948
  246   1HH1  ARG  34          1HH1      ARG  34  -3.424   9.556   0.807
  247   2HH1  ARG  34          2HH1      ARG  34  -2.134  10.347   1.586
  248   1HH2  ARG  34          1HH2      ARG  34  -0.133   7.462   1.981
  249   2HH2  ARG  34          2HH2      ARG  34  -0.233   9.143   2.225
  250    H    CYS  35           H        CYS  35  -4.038   4.095  -3.690
  251    HA   CYS  35           HA       CYS  35  -1.808   2.851  -5.112
  252   1HB   CYS  35          2HB       CYS  35  -4.237   2.216  -5.412
  253   2HB   CYS  35          1HB       CYS  35  -4.446   3.765  -6.217
  254    H    ARG  36           H        ARG  36  -0.342   4.298  -5.591
  255    HA   ARG  36           HA       ARG  36  -1.218   7.082  -5.750
  256   1HB   ARG  36          2HB       ARG  36   1.490   5.961  -5.067
  257   2HB   ARG  36          1HB       ARG  36   1.105   7.675  -5.178
  258   1HG   ARG  36          2HG       ARG  36  -0.574   7.400  -3.394
  259   2HG   ARG  36          1HG       ARG  36  -0.134   5.706  -3.273
  260   1HD   ARG  36          2HD       ARG  36   0.934   7.101  -1.538
  261   2HD   ARG  36          1HD       ARG  36   2.090   6.265  -2.568
  262    HE   ARG  36           HE       ARG  36   1.580   8.839  -3.587
  263   1HH1  ARG  36          1HH1      ARG  36   3.122   7.368  -0.767
  264   2HH1  ARG  36          2HH1      ARG  36   4.413   8.487  -0.733
  265   1HH2  ARG  36          1HH2      ARG  36   3.284  10.437  -3.459
  266   2HH2  ARG  36          2HH2      ARG  36   4.473  10.284  -2.241
  267    H    ASP  37           H        ASP  37   0.658   8.427  -6.926
  268    HA   ASP  37           HA       ASP  37   0.183   8.159  -9.681
  269   1HB   ASP  37          2HB       ASP  37   0.618  10.309  -8.616
  270   2HB   ASP  37          1HB       ASP  37   2.241   9.800  -8.188
  271    H    ASP  38           H        ASP  38   2.633   6.836  -7.711
  272    HA   ASP  38           HA       ASP  38   4.560   6.184  -9.724
  273   1HB   ASP  38          2HB       ASP  38   4.945   6.274  -7.205
  274   2HB   ASP  38          1HB       ASP  38   4.080   4.748  -7.098
  275    H    PHE  39           H        PHE  39   1.461   5.099  -9.187
  276    HA   PHE  39           HA       PHE  39   0.121   3.477  -9.903
  277   1HB   PHE  39          2HB       PHE  39   2.361   2.891 -11.862
  278   2HB   PHE  39          1HB       PHE  39   0.795   2.104 -11.908
  279    HD1  PHE  39           1HD      PHE  39   2.644   4.935 -12.979
  280    HD2  PHE  39           2HD      PHE  39  -1.284   3.594 -12.066
  281    HE1  PHE  39           1HE      PHE  39   1.698   6.801 -14.289
  282    HE2  PHE  39           2HE      PHE  39  -2.227   5.450 -13.367
  283    HZ   PHE  39           HZ       PHE  39  -0.736   7.055 -14.478
  284    H    ARG  40           H        ARG  40   1.897   3.027  -7.786
  285    HA   ARG  40           HA       ARG  40   1.772   0.108  -7.728
  286   1HB   ARG  40          2HB       ARG  40   3.922   1.929  -6.665
  287   2HB   ARG  40          1HB       ARG  40   3.699   0.277  -6.094
  288   1HG   ARG  40          2HG       ARG  40   4.052   0.861  -9.009
  289   2HG   ARG  40          1HG       ARG  40   5.437   0.708  -7.926
  290   1HD   ARG  40          2HD       ARG  40   3.285  -1.387  -8.250
  291   2HD   ARG  40          1HD       ARG  40   4.844  -1.419  -9.080
  292    HE   ARG  40           HE       ARG  40   5.721  -1.253  -6.653
  293   1HH1  ARG  40          1HH1      ARG  40   3.065  -3.347  -7.796
  294   2HH1  ARG  40          2HH1      ARG  40   3.309  -4.481  -6.541
  295   1HH2  ARG  40          1HH2      ARG  40   5.986  -2.889  -4.952
  296   2HH2  ARG  40          2HH2      ARG  40   4.948  -4.228  -4.934
  297    H    CYS  41           H        CYS  41   1.471  -0.765  -5.589
  298    HA   CYS  41           HA       CYS  41  -0.447   0.749  -4.095
  299   1HB   CYS  41          2HB       CYS  41  -0.917  -1.521  -4.662
  300   2HB   CYS  41          1HB       CYS  41   0.592  -2.089  -3.958
  301    H    TRP  42           H        TRP  42   0.155   1.954  -2.460
  302    HA   TRP  42           HA       TRP  42   2.672   1.410  -1.060
  303   1HB   TRP  42          2HB       TRP  42   1.064   3.944  -1.457
  304   2HB   TRP  42          1HB       TRP  42   2.359   3.815  -0.284
  305    HD1  TRP  42           HD       TRP  42   1.809   3.700  -4.115
  306    HE1  TRP  42           1HE      TRP  42   4.014   4.499  -5.244
  307    HE3  TRP  42           3HE      TRP  42   4.754   4.220   0.046
  308    HZ2  TRP  42           2HZ      TRP  42   6.594   5.260  -4.466
  309    HZ3  TRP  42           3HZ      TRP  42   7.034   4.998  -0.221
  310    HH2  TRP  42           HH       TRP  42   7.957   5.512  -2.432
  311    H    CYS  43           H        CYS  43   2.335   0.579   0.922
  312    HA   CYS  43           HA       CYS  43  -0.288   0.806   2.172
  313   1HB   CYS  43          2HB       CYS  43   2.163  -0.733   3.033
  314   2HB   CYS  43          1HB       CYS  43   0.566  -0.831   3.762
  315    H    THR  44           H        THR  44  -0.612   2.095   3.977
  316    HA   THR  44           HA       THR  44   1.570   3.839   4.708
  317    HB   THR  44           HB       THR  44  -1.317   3.814   5.660
  318    HG1  THR  44           1HG      THR  44  -0.175   5.165   3.391
  319   1HG2  THR  44          1HG2      THR  44  -0.877   6.197   6.160
  320   2HG2  THR  44          2HG2      THR  44   0.791   5.983   5.622
  321   3HG2  THR  44          3HG2      THR  44   0.210   5.126   7.044
  322    H    ARG  45           H        ARG  45   2.555   3.565   6.720
  323    HA   ARG  45           HA       ARG  45   1.199   1.821   8.565
  324   1HB   ARG  45          2HB       ARG  45   3.422   0.783   9.177
  325   2HB   ARG  45          1HB       ARG  45   2.806   0.347   7.590
  326   1HG   ARG  45          2HG       ARG  45   4.310   2.052   6.607
  327   2HG   ARG  45          1HG       ARG  45   4.969   2.329   8.217
  328   1HD   ARG  45          2HD       ARG  45   5.740   0.048   8.331
  329   2HD   ARG  45          1HD       ARG  45   4.975  -0.317   6.784
  330    HE   ARG  45           HE       ARG  45   6.869   1.840   6.672
  331   1HH1  ARG  45          1HH1      ARG  45   6.545  -1.679   6.480
  332   2HH1  ARG  45          2HH1      ARG  45   7.934  -1.868   5.518
  333   1HH2  ARG  45          1HH2      ARG  45   8.761   1.552   5.403
  334   2HH2  ARG  45          2HH2      ARG  45   9.238  -0.010   4.923
  335    H    ASN  46           H        ASN  46   1.301   2.417  10.655
  336    HA   ASN  46           HA       ASN  46   2.008   5.059  11.206
  337   1HB   ASN  46          2HB       ASN  46   0.977   2.720  12.762
  338   2HB   ASN  46          1HB       ASN  46   1.288   4.291  13.468
  339   1HD2  ASN  46          1HD2      ASN  46  -1.187   2.722  13.080
  340   2HD2  ASN  46          2HD2      ASN  46  -2.288   3.770  12.278
  341    H    CYS  47           H        CYS  47   3.778   5.762  12.210
  342    HA   CYS  47           HA       CYS  47   5.466   3.882  13.591
  343   1HB   CYS  47          2HB       CYS  47   7.483   5.076  12.506
  344   2HB   CYS  47          1HB       CYS  47   6.603   3.946  11.491