*HEADER    SURFACE ACTIVE PROTEIN                  26-MAR-07   2JOU              
*TITLE     NMR STRUCTURE OF MINI-B, AN N-TERMINAL- C-TERMINAL                    
*TITLE    2 CONSTRUCT FROM HUMAN SURFACTANT PROTEIN-B (SP-B), IN                 
*TITLE    3 HEXAFLUOROISOPROPANOL (HFIP)                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PULMONARY SURFACTANT-ASSOCIATED PROTEIN B;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: MINI-B;                                                    
*COMPND   5 SYNONYM: SP-B, 6 KDA PROTEIN, PULMONARY SURFACTANT-                  
*COMPND   6 ASSOCIATED PROTEOLIPID SPLPHE, 18 KDA PULMONARY-SURFACTANT           
*COMPND   7 PROTEIN;                                                             
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS A BIOLOGICALLY ACTIVE                
*SOURCE   4 FRAGMENT (N- AND C-TERMINAL) OF THE NATURALLY OCCURING               
*SOURCE   5 HUMAN PROTEIN, SP-B.                                                 
*KEYWDS    MINI-B, SP-B, SURFACTANT PROTEIN B, LIPID ASSOCIATED PROTEIN          
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    V.BOOTH, M.SARKER, K.M.W.KEOUGH, A.J.WARING, F.J.WALTHER              
*REVDAT   1   10-APR-07 2JOU    0                                                


! Restraints for Mini-B in HFIP
! Intra-residue: xxx Sequential: 127 Medium-range: 74 Long-range: 00 Ambiguous: 37 H_bonds: 22 Dihedrals: 38 
! Sequential
assign (residue  1 and name   HA) (residue  2 and name  HN) 5.0 3.2 0.0 !
assign (residue  1 and name  HB#) (residue  2 and name  HN) 3.4 1.6 1.0 !
assign (residue  1 and name  HT#) (residue  2 and name  HN) 5.0 3.2 1.0 !
assign (residue  2 and name  HB1) (residue  1 and name HT#) 5.0 3.2 1.0 !
assign (residue  2 and name  HB1) (residue  3 and name  HA) 5.0 3.2 0.0 !
assign (residue  2 and name  HB1) (residue  3 and name  HN) 5.0 3.2 0.0 !
assign (residue  2 and name  HB2) (residue  1 and name HT#) 5.0 3.2 1.0 !
assign (residue  2 and name  HB2) (residue  3 and name  HN) 5.0 3.2 0.0 !
assign (residue  3 and name   HA) (residue  2 and name HZ3) 5.0 3.2 0.0 !
assign (residue  3 and name  HB2) (residue  4 and name  HN) 3.4 1.6 0.0 !
assign (residue  3 and name HD1#) (residue  2 and name HZ3) 5.0 3.2 1.0 !
assign (residue  3 and name HD1#) (residue  4 and name  HA) 5.0 3.2 1.0 !
assign (residue  3 and name HD1#) (residue  4 and name  HN) 5.0 3.2 1.0 !
assign (residue  3 and name HD2#) (residue  2 and name HZ3) 5.0 3.2 1.0 !
assign (residue  3 and name HD2#) (residue  4 and name HB1) 5.0 3.2 1.0 !
assign (residue  3 and name HD2#) (residue  4 and name HB2) 5.0 3.2 1.0 !
assign (residue  3 and name HD2#) (residue  4 and name  HN) 5.0 3.2 1.0 !
assign (residue  3 and name   HG) (residue  4 and name  HN) 5.0 3.2 0.0 !
assign (residue  3 and name   HN) (residue  2 and name  HN) 5.0 3.2 0.0 !
assign (residue  3 and name   HN) (residue  4 and name  HN) 3.4 1.6 0.0 !
assign (residue  4 and name   HA) (residue  5 and name  HN) 3.4 1.6 0.0 !
assign (residue  4 and name  HB1) (residue  5 and name  HN) 3.4 1.6 0.0 !
assign (residue  4 and name  HB2) (residue  5 and name  HN) 3.4 1.6 0.0 !
assign (residue  5 and name  HB#) (residue  6 and name  HN) 3.4 1.6 1.0 !
assign (residue  5 and name   HN) (residue  4 and name  HN) 3.4 1.6 0.0 !
assign (residue  5 and name   HN) (residue  6 and name  HN) 3.4 1.6 0.0 !
assign (residue  6 and name   HA) (residue  7 and name  HN) 5.0 3.2 0.0 !
assign (residue  6 and name  HB#) (residue  5 and name  HN) 3.4 1.6 1.0 !
assign (residue  6 and name  HB#) (residue  7 and name  HA) 3.4 1.6 1.0 !
assign (residue  6 and name  HB#) (residue  7 and name  HN) 3.4 1.6 1.0 !
assign (residue  6 and name   HN) (residue  7 and name  HN) 5.0 3.2 0.0 !
assign (residue  7 and name   HA) (residue  8 and name  HN) 3.4 1.6 0.0 !
assign (residue  7 and name  HB#) (residue  8 and name  HN) 3.4 1.6 1.0 !
assign (residue  7 and name   HG) (residue  8 and name  HA) 5.0 3.2 0.0 !
assign (residue  7 and name   HG) (residue  8 and name  HN) 3.4 1.6 0.0 !
assign (residue  8 and name   HA) (residue  7 and name  HN) 5.0 3.2 0.0 !
assign (residue  8 and name   HB) (residue  9 and name  HN) 5.0 3.2 0.0 !
assign (residue  8 and name HD1#) (residue  7 and name  HN) 5.0 3.2 1.0 !
assign (residue  8 and name HD1#) (residue  9 and name HD#) 5.0 3.2 2.0 !
assign (residue  8 and name HD1#) (residue  9 and name  HN) 5.0 3.2 1.0 !
assign (residue  8 and name HG1#) (residue  9 and name HD#) 5.0 3.2 2.0 !
assign (residue  8 and name HG2#) (residue  9 and name  HA) 5.0 3.2 1.0 !
assign (residue  8 and name HG2#) (residue  9 and name  HN) 5.0 3.2 1.0 !
assign (residue  8 and name   HN) (residue  7 and name  HN) 2.8 1.0 0.0 !
assign (residue  9 and name  HD#) (residue 10 and name  HN) 5.0 3.2 1.0 !
assign (residue  9 and name   HN) (residue  8 and name  HN) 3.4 1.6 0.0 !
assign (residue  9 and name   HN) (residue 10 and name  HN) 5.0 3.2 0.0 !
assign (residue 10 and name  HD#) (residue  9 and name  HA) 5.0 3.2 1.0 !
assign (residue 10 and name  HG#) (residue 11 and name  HN) 5.0 3.2 1.0 !
assign (residue 11 and name   HB) (residue 10 and name HG#) 5.0 3.2 2.0 !
assign (residue 11 and name HG2#) (residue 10 and name HB#) 5.0 3.2 2.0 !
assign (residue 11 and name HG2#) (residue 10 and name HG#) 5.0 3.2 2.0 !
assign (residue 11 and name   HN) (residue 10 and name  HN) 3.4 1.6 0.0 !
assign (residue 11 and name   HN) (residue 12 and name  HN) 3.4 1.6 0.0 !
assign (residue 12 and name  HB#) (residue 11 and name  HN) 5.0 3.2 1.0 !
assign (residue 13 and name   HA) (residue 14 and name  HN) 3.4 1.6 0.0 !
assign (residue 13 and name  HB#) (residue 14 and name HG1) 5.0 3.2 1.0 !
assign (residue 13 and name  HB#) (residue 14 and name HG2) 5.0 3.2 1.0 !
assign (residue 13 and name  HB#) (residue 14 and name  HN) 2.8 1.0 1.0 !
assign (residue 13 and name   HN) (residue 12 and name  HN) 3.4 1.6 0.0 !
assign (residue 13 and name   HN) (residue 14 and name  HN) 2.8 1.0 0.0 !
assign (residue 14 and name   HA) (residue 15 and name  HN) 5.0 3.2 0.0 !
assign (residue 14 and name  HB1) (residue 15 and name  HN) 5.0 3.2 0.0 !
assign (residue 14 and name  HB2) (residue 15 and name  HN) 5.0 3.2 0.0 !
assign (residue 14 and name  HE#) (residue 15 and name  HN) 5.0 3.2 1.0 !
assign (residue 14 and name  HG1) (residue 15 and name  HN) 5.0 3.2 0.0 !
assign (residue 14 and name  HG2) (residue 15 and name  HN) 5.0 3.2 0.0 !
assign (residue 15 and name   HA) (residue 16 and name HD1) 2.8 1.0 0.0 !
assign (residue 15 and name   HA) (residue 16 and name HD2) 2.8 1.0 0.0 !
assign (residue 15 and name HD1#) (residue 14 and name  HA) 5.0 3.2 1.0 !
assign (residue 15 and name HD1#) (residue 14 and name  HN) 5.0 3.2 1.0 !
assign (residue 15 and name HD1#) (residue 16 and name HD2) 5.0 3.2 1.0 !
assign (residue 15 and name HG1#) (residue 16 and name HD1) 5.0 3.2 1.0 !
assign (residue 15 and name HG1#) (residue 16 and name HD2) 5.0 3.2 1.0 !
assign (residue 15 and name HG2#) (residue 14 and name  HN) 5.0 3.2 1.0 !
assign (residue 15 and name HG2#) (residue 16 and name HD1) 5.0 3.2 1.0 !
assign (residue 15 and name HG2#) (residue 16 and name HD2) 5.0 3.2 1.0 !
assign (residue 15 and name   HN) (residue 14 and name  HN) 2.8 1.0 0.0 !
assign (residue 16 and name  HB2) (residue 17 and name  HN) 3.4 1.6 0.0 !
assign (residue 16 and name  HD1) (residue 15 and name  HA) 2.8 1.0 0.0 !
assign (residue 16 and name  HD1) (residue 15 and name  HN) 5.0 3.2 0.0 !
assign (residue 16 and name  HD2) (residue 15 and name  HA) 2.8 1.0 0.0 !
assign (residue 16 and name  HD2) (residue 15 and name  HN) 3.4 1.6 0.0 !
assign (residue 17 and name   HN) (residue 18 and name  HN) 5.0 3.2 0.0 !
assign (residue 18 and name  HA#) (residue 19 and name  HN) 5.0 3.2 1.0 !
assign (residue 19 and name  HA1) (residue 20 and name  HN) 2.8 1.0 0.0 !
assign (residue 19 and name  HA2) (residue 20 and name  HN) 2.8 1.0 0.0 !
assign (residue 20 and name   HA) (residue 21 and name  HN) 2.8 1.0 0.0 !
assign (residue 20 and name  HB#) (residue 21 and name  HN) 5.0 3.2 1.0 !
assign (residue 20 and name  HG#) (residue 21 and name  HN) 5.0 3.2 1.0 !
assign (residue 20 and name   HN) (residue 19 and name  HN) 5.0 3.2 0.0 !
assign (residue 20 and name   HN) (residue 21 and name  HN) 2.8 1.0 0.0 !
assign (residue 21 and name   HA) (residue 22 and name  HN) 3.4 1.6 0.0 !
assign (residue 21 and name  HB#) (residue 22 and name  HN) 5.0 3.2 1.0 !
assign (residue 22 and name HD2#) (residue 23 and name HD#) 5.0 3.2 2.0 !
assign (residue 22 and name   HG) (residue 23 and name HD#) 5.0 3.2 1.0 !
assign (residue 22 and name   HN) (residue 21 and name  HN) 3.4 1.6 0.0 !
assign (residue 23 and name  HD#) (residue 22 and name  HA) 3.4 1.6 1.0 !
assign (residue 23 and name  HD#) (residue 22 and name  HN) 3.4 1.6 1.0 !
assign (residue 23 and name  HD#) (residue 24 and name  HN) 5.0 3.2 1.0 !
assign (residue 24 and name   HA) (residue 25 and name  HN) 3.4 1.6 0.0 !
assign (residue 24 and name  HB#) (residue 25 and name  HN) 5.0 3.2 1.0 !
assign (residue 25 and name  HB1) (residue 26 and name  HN) 5.0 3.2 0.0 !
assign (residue 25 and name  HB2) (residue 26 and name  HA) 5.0 3.2 0.0 !
assign (residue 25 and name  HB2) (residue 26 and name  HN) 5.0 3.2 0.0 !
assign (residue 25 and name   HG) (residue 26 and name  HA) 5.0 3.2 0.0 !
assign (residue 25 and name   HG) (residue 26 and name  HN) 5.0 3.2 0.0 !
assign (residue 25 and name   HN) (residue 24 and name  HN) 5.0 3.2 0.0 !
assign (residue 25 and name   HN) (residue 26 and name  HN) 3.4 1.6 0.0 !
assign (residue 28 and name   HA) (residue 29 and name  HN) 5.0 3.2 0.0 !
assign (residue 30 and name   HA) (residue 29 and name  HN) 5.0 3.2 0.0 !
assign (residue 30 and name   HA) (residue 31 and name  HN) 3.4 1.6 0.0 !
assign (residue 30 and name   HB) (residue 31 and name  HN) 5.0 3.2 0.0 !
assign (residue 30 and name HG2#) (residue 31 and name  HN) 5.0 3.2 1.0 !
assign (residue 30 and name   HN) (residue 29 and name  HN) 3.4 1.6 0.0 !
assign (residue 31 and name  HB#) (residue 32 and name  HN) 5.0 3.2 1.0 !
assign (residue 32 and name   HA) (residue 33 and name  HN) 5.0 3.2 0.0 !
assign (residue 32 and name  HB#) (residue 31 and name  HA) 5.0 3.2 1.0 !
assign (residue 32 and name  HG#) (residue 31 and name  HA) 5.0 3.2 1.0 !
assign (residue 32 and name  HD#) (residue 31 and name  HN) 5.0 3.2 1.0 !
assign (residue 32 and name   HN) (residue 31 and name  HN) 2.8 1.0 0.0 !
assign (residue 33 and name   HA) (residue 34 and name  HN) 3.4 1.6 0.0 !
assign (residue 33 and name  HB1) (residue 34 and name  HN) 2.8 1.0 0.0 !
assign (residue 33 and name  HB2) (residue 34 and name  HN) 3.4 1.6 0.0 !
assign (residue 34 and name   HA) (residue 33 and name HB1) 5.0 3.2 0.0 !
assign (residue 34 and name   HA) (residue 33 and name HB2) 5.0 3.2 0.0 !
assign (residue 34 and name   HN) (residue 33 and name  HN) 3.4 1.6 0.0 !
! Medium-range
assign (residue  2 and name  HB1) (residue  5 and name   HN) 5.0 3.2 0.0 !
assign (residue  2 and name  HB2) (residue  5 and name   HN) 5.0 3.2 0.0 !
assign (residue  3 and name   HA) (residue  1 and name  HT#) 5.0 3.2 1.0 !
assign (residue  3 and name   HA) (residue  5 and name   HN) 5.0 3.2 0.0 !
assign (residue  3 and name  HB1) (residue  5 and name   HN) 5.0 3.2 0.0 !
assign (residue  3 and name   HG) (residue  5 and name   HN) 5.0 3.2 0.0 !
assign (residue  4 and name   HA) (residue  7 and name   HN) 5.0 3.2 0.0 !
assign (residue  4 and name   HA) (residue  8 and name   HN) 5.0 3.2 0.0 !
assign (residue  5 and name   HA) (residue  8 and name   HN) 3.4 1.6 0.0 !
assign (residue  5 and name   HA) (residue  9 and name   HN) 5.0 3.2 0.0 !
assign (residue  5 and name  HB#) (residue  8 and name   HN) 5.0 3.2 1.0 !
assign (residue  5 and name  HG#) (residue  9 and name   HA) 5.0 3.2 1.0 !
assign (residue  5 and name  HG#) (residue  9 and name   HN) 5.0 3.2 1.0 !
assign (residue  6 and name   HA) (residue  8 and name   HN) 5.0 3.2 0.0 !
assign (residue  6 and name  HB#) (residue  2 and name  HZ3) 5.0 3.2 1.0 !
assign (residue  6 and name  HB#) (residue  8 and name   HN) 5.0 3.2 1.0 !
assign (residue  6 and name   HA) (residue  9 and name   HN) 5.0 3.2 0.0 !
assign (residue  7 and name   HA) (residue 10 and name   HN) 5.0 3.2 0.0 !
assign (residue  7 and name  HB2) (residue  4 and name   HA) 5.0 3.2 0.0 !
assign (residue  7 and name   HG) (residue  4 and name   HA) 5.0 3.2 0.0 !
assign (residue  8 and name   HB) (residue 10 and name   HN) 5.0 3.2 0.0 !
assign (residue  8 and name HD1#) (residue 10 and name  HB#) 5.0 3.2 2.0 !
assign (residue  8 and name HD1#) (residue 10 and name  HG#) 5.0 3.2 2.0 !
assign (residue  8 and name HG2#) (residue 10 and name  HG#) 5.0 3.2 2.0 !
assign (residue  9 and name  HB1) (residue  6 and name   HA) 5.0 3.2 0.0 !
assign (residue  9 and name  HB2) (residue  6 and name   HA) 5.0 3.2 0.0 !
assign (residue 10 and name   HA) (residue 14 and name   HN) 5.0 3.2 0.0 !
assign (residue 10 and name  HB#) (residue 8 and name    HA) 5.0 3.2 1.0 !
assign (residue 10 and name  HG#) (residue 8 and name    HA) 5.0 3.2 1.0 !
assign (residue 10 and name  HG#) (residue 14 and name   HN) 5.0 3.2 1.0 !
assign (residue 10 and name   HN) (residue 12 and name   HN) 3.4 1.6 0.0 !
assign (residue 11 and name   HA) (residue 13 and name   HN) 5.0 3.2 0.0 !
assign (residue 11 and name   HA) (residue 14 and name   HN) 5.0 3.2 0.0 !
assign (residue 11 and name   HB) (residue  8 and name   HA) 5.0 3.2 0.0 !
assign (residue 11 and name HG2#) (residue  8 and name   HA) 5.0 3.2 1.0 !
assign (residue 12 and name   HA) (residue 15 and name   HN) 5.0 3.2 0.0 !
assign (residue 12 and name  HB#) (residue  9 and name   HA) 2.8 1.0 1.0 !
assign (residue 12 and name  HB#) (residue 10 and name   HA) 3.4 1.6 1.0 !
assign (residue 12 and name  HB#) (residue 10 and name   HN) 3.4 1.6 1.0 !
assign (residue 12 and name  HG#) (residue  9 and name   HA) 5.0 3.2 1.0 !
assign (residue 13 and name   HA) (residue 15 and name   HN) 5.0 3.2 0.0 !
assign (residue 13 and name  HB#) (residue 11 and name   HA) 5.0 3.2 1.0 !
assign (residue 14 and name  HG1) (residue 10 and name   HA) 5.0 3.2 0.0 !
assign (residue 14 and name   HN) (residue 12 and name   HN) 5.0 3.2 0.0 !
assign (residue 15 and name HD1#) (residue 12 and name  HB#) 5.0 3.2 2.0 !
assign (residue 15 and name HD1#) (residue 12 and name HE21) 3.4 1.6 1.0 !
assign (residue 15 and name HD1#) (residue 12 and name HE22) 3.4 1.6 1.0 !
assign (residue 15 and name HD1#) (residue 12 and name  HG#) 3.4 1.6 2.0 !
assign (residue 15 and name HG1#) (residue 12 and name   HA) 3.4 1.6 1.0 !
assign (residue 15 and name HG2#) (residue 12 and name   HA) 2.8 1.0 1.0 !
assign (residue 17 and name   HA) (residue 19 and name   HN) 5.0 3.2 0.0 !
assign (residue 19 and name  HA2) (residue 21 and name   HN) 5.0 3.2 0.0 !
assign (residue 22 and name   HA) (residue 20 and name  HG#) 5.0 3.2 1.0 !
assign (residue 22 and name   HG) (residue 24 and name   HN) 5.0 3.2 0.0 !
assign (residue 22 and name   HN) (residue 20 and name   HN) 5.0 3.2 0.0 !
assign (residue 23 and name   HA) (residue 25 and name   HN) 5.0 3.2 0.0 !
assign (residue 23 and name  HD#) (residue 20 and name   HA) 5.0 3.2 1.0 !
assign (residue 23 and name  HD#) (residue 21 and name   HN) 5.0 3.2 1.0 !
assign (residue 25 and name  HB2) (residue 23 and name   HA) 5.0 3.2 0.0 !
assign (residue 26 and name   HA) (residue 30 and name   HN) 5.0 3.2 0.0 !
assign (residue 26 and name HG##) (residue 23 and name   HA) 5.0 3.2 3.0 !
assign (residue 26 and name HG##) (residue 30 and name   HN) 5.0 3.2 3.0 !
assign (residue 27 and name   HA) (residue 30 and name   HN) 5.0 3.2 0.0 !
assign (residue 27 and name  HB#) (residue 24 and name   HA) 3.4 1.6 1.0 !
assign (residue 28 and name  HG#) (residue 25 and name   HA) 5.0 3.2 1.0 !
assign (residue 28 and name  HG#) (residue 30 and name   HN) 5.0 3.2 1.0 !
assign (residue 29 and name   HG) (residue 26 and name   HA) 5.0 3.2 0.0 !
assign (residue 30 and name   HB) (residue 26 and name   HA) 3.4 1.6 0.0 !
assign (residue 30 and name HG1#) (residue 27 and name   HA) 5.0 3.2 1.0 !
assign (residue 30 and name HG1#) (residue 32 and name  HD#) 5.0 3.2 2.0 !
assign (residue 30 and name HG1#) (residue 32 and name   HN) 5.0 3.2 1.0 !
assign (residue 31 and name  HB#) (residue 27 and name   HG) 5.0 3.2 1.0 !
assign (residue 32 and name   HA) (residue 34 and name   HN) 5.0 3.2 0.0 !
assign (residue 32 and name   HN) (residue 34 and name   HN) 5.0 3.2 0.0 !
! Ambiguous
assign (resid  1 and name   HA) (resid  5 and name   HN) 5.0 3.2 0.0 !
    OR (resid  2 and name   HA) (resid  5 and name   HN)
assign (resid  3 and name   HA) (resid  4 and name   HN) 5.0 3.2 0.0 !
    OR (resid  5 and name   HA) (resid  4 and name   HN)
assign (resid  3 and name   HA) (resid  6 and name   HN) 3.4 1.6 0.0 !
    OR (resid  5 and name   HA) (resid  6 and name   HN)
    OR (resid 12 and name   HA) (resid 13 and name   HN)
assign (resid  3 and name HD1#) (resid  5 and name   HN) 5.0 3.2 3.0 !
    OR (resid  7 and name HD##) (resid  5 and name   HN)
assign (resid  3 and name HD2#) (resid  5 and name   HN) 5.0 3.2 1.0 !
    OR (resid  8 and name HD1#) (resid  5 and name   HN)
assign (resid  7 and name HD##) (resid 10 and name  HD#) 5.0 3.2 4.0 !
    OR (resid 11 and name HD1#) (resid 10 and name  HD#)
assign (resid  8 and name   HA) (resid  7 and name   HA) 5.0 3.2 0.0 !
    OR (resid 10 and name   HA) (resid  7 and name   HA)
assign (resid  8 and name   HA) (resid  9 and name   HA) 5.0 3.2 0.0 !
    OR (resid 10 and name   HA) (resid  9 and name   HA)
assign (resid  8 and name   HA) (resid  9 and name   HN) 5.0 3.2 0.0 !
    OR (resid 10 and name   HA) (resid  9 and name   HN)
assign (resid  8 and name HD1#) (resid 10 and name   HN) 5.0 3.2 1.0 !
    OR (resid  8 and name HD1#) (resid 12 and name   HN)
assign (resid  8 and name HG2#) (resid 10 and name   HN) 5.0 3.2 1.0 !
    OR (resid  8 and name HG2#) (resid 12 and name   HN)
assign (resid  8 and name   HA) (resid 10 and name   HN) 5.0 3.2 0.0 !
    OR (resid  8 and name   HA) (resid 12 and name   HN)
    OR (resid 10 and name   HA) (resid 12 and name   HN)
assign (resid  8 and name   HA) (resid 11 and name   HA) 5.0 3.2 0.0 !
    OR (resid 10 and name   HA) (resid 11 and name   HA)
assign (resid  8 and name   HA) (resid 11 and name   HN) 5.0 3.2 0.0 !
    OR (resid 10 and name   HA) (resid 11 and name   HN)
assign (resid  9 and name   HA) (resid 10 and name   HN) 2.8 1.0 0.0 !
    OR (resid  9 and name   HA) (resid 12 and name   HN)
assign (resid  9 and name  HG#) (resid 10 and name   HN) 5.0 3.2 1.0 !
    OR (resid  9 and name  HG#) (resid 12 and name   HN)
assign (resid  9 and name  HD#) (resid 10 and name  HD#) 5.0 3.2 2.0 !
    OR (resid 11 and name HG1#) (resid 10 and name  HD#)
assign (resid  9 and name  HG#) (resid 11 and name   HN) 5.0 3.2 1.0 !
    OR (resid 13 and name  HB#) (resid 11 and name   HN)
assign (resid 11 and name   HA) (resid 10 and name   HN) 3.4 1.6 0.0 !
    OR (resid 11 and name   HA) (resid 12 and name   HN) 
assign (resid 11 and name   HB) (resid 10 and name   HN) 3.4 1.6 0.0 !
    OR (resid 11 and name   HB) (resid 12 and name   HN)
assign (resid 11 and name HG1#) (resid 12 and name  HB2) 5.0 3.2 1.0 !
    OR (resid 13 and name  HB#) (resid 14 and name  HB1)
assign (resid 11 and name HG1#) (resid 15 and name   HN) 5.0 3.2 1.0 !
    OR (resid 13 and name  HB#) (resid 15 and name   HN)
assign (resid 12 and name  HB#) (resid 13 and name   HN) 5.0 3.2 1.0 !
    OR (resid 14 and name  HB1) (resid 13 and name   HN)
assign (resid 12 and name  HG#) (resid 10 and name   HA) 3.4 1.6 1.0 !
    OR (resid 14 and name  HG2) (resid 10 and name   HA)
assign (resid 15 and name   HA) (resid 17 and name   HN) 5.0 3.2 0.0 !
    OR (resid 23 and name   HA) (resid 24 and name   HN)
assign (resid 15 and name HG2#) (resid 17 and name   HN) 5.0 3.2 1.0 !
    OR (resid 30 and name HG1#) (resid 28 and name   HN)
assign (resid 16 and name   HA) (resid 17 and name   HN) 3.4 1.6 0.0 !
    OR (resid 16 and name   HA) (resid 18 and name   HN)
    OR (resid 27 and name   HA) (resid 28 and name   HN)
assign (resid 21 and name   HA) (resid 20 and name   HN) 5.0 3.2 0.0 !
    OR (resid 33 and name   HA) (resid 31 and name   HN)
assign (resid 23 and name   HA) (resid 26 and name   HN) 5.0 3.2 0.0 !
    OR (resid 23 and name   HA) (resid 27 and name   HN)
assign (resid 24 and name   HA) (resid 26 and name   HN) 5.0 3.2 0.0 !
    OR (resid 24 and name   HA) (resid 27 and name   HN)
assign (resid 25 and name   HA) (resid 26 and name   HN) 5.0 3.2 0.0 !
    OR (resid 25 and name   HA) (resid 27 and name   HN)
assign (resid 25 and name HD1#) (resid 24 and name   HA) 5.0 3.2 3.0 !
    OR (resid 26 and name HG##) (resid 24 and name   HA)
assign (resid 25 and name HD2#) (resid 28 and name  HB#) 5.0 3.2 4.0 !
    OR (resid 31 and name HD##) (resid 29 and name  HB#)
assign (resid 25 and name   HN) (resid 27 and name   HN) 5.0 3.2 0.0 !
    OR (resid 32 and name   HN) (resid 33 and name   HN)
assign (resid 28 and name  HB#) (resid 26 and name   HA) 5.0 3.2 1.0 !
    OR (resid 29 and name  HB1) (resid 26 and name   HA)
assign (resid 30 and name   HA) (resid 32 and name   HN) 5.0 3.2 0.0 !
    OR (resid 31 and name   HA) (resid 32 and name   HN)
assign (resid 30 and name   HA) (resid 33 and name   HN) 5.0 3.2 0.0 !
    OR (resid 31 and name   HA) (resid 33 and name   HN)
! H_bonds
assign (resid  4 and name O) (resid  8 and name HN) 2.2 0.5 0.2
assign (resid  4 and name O) (resid  8 and name N ) 3.3 0.8 0.2
assign (resid  5 and name O) (resid  9 and name HN) 2.2 0.5 0.2
assign (resid  5 and name O) (resid  9 and name N ) 3.3 0.8 0.2
assign (resid  6 and name O) (resid 10 and name HN) 2.2 0.5 0.2
assign (resid  6 and name O) (resid 10 and name N ) 3.3 0.8 0.2
assign (resid  7 and name O) (resid 11 and name HN) 2.2 0.5 0.2
assign (resid  7 and name O) (resid 11 and name N ) 3.3 0.8 0.2
assign (resid  8 and name O) (resid 12 and name HN) 2.2 0.5 0.2
assign (resid  8 and name O) (resid 12 and name N ) 3.3 0.8 0.2
assign (resid  9 and name O) (resid 13 and name HN) 2.2 0.5 0.2
assign (resid  9 and name O) (resid 13 and name N ) 3.3 0.8 0.2
assign (resid 10 and name O) (resid 14 and name HN) 2.2 0.5 0.2
assign (resid 10 and name O) (resid 14 and name N ) 3.3 0.8 0.2
assign (resid 11 and name O) (resid 15 and name HN) 2.2 0.5 0.2
assign (resid 11 and name O) (resid 15 and name N ) 3.3 0.8 0.2
assign (resid 24 and name O) (resid 28 and name HN) 2.2 0.5 0.2
assign (resid 24 and name O) (resid 28 and name N ) 3.3 0.8 0.2
assign (resid 25 and name O) (resid 29 and name HN) 2.2 0.5 0.2
assign (resid 25 and name O) (resid 29 and name N ) 3.3 0.8 0.2
assign (resid 26 and name O) (resid 30 and name HN) 2.2 0.5 0.2
assign (resid 26 and name O) (resid 30 and name N ) 3.3 0.8 0.2
! Dihedrals
! Phi (top) and Psi (bottom) angles
! What the 4 numbers at the end of the assign statement mean:
! 1:  energy constant
! 2:  dihedral angle
! 3:  allowed range around dihedral angle
! 4:  exponent of the restraining function
! For 8 < J < 9: phi=-120 +/- 40
! For J > 9: phi=-120 +/- 30 (beta)
! For J < 8: phi=-60 +/- 30 (alpha)
! for b: phi=-120 +/- 30 psi=120 +/- 40
! for a: phi=-60 +/- 30 psi=-40 +/- 40
assign (resid  3 and name C ) (resid  4 and name N )
       (resid  4 and name CA) (resid  4 and name C )  1.0  -60  30 2
assign (resid  4 and name N ) (resid  4 and name CA)
       (resid  4 and name C ) (resid  5 and name N )  1.0  -40  40 2
assign (resid  4 and name C ) (resid  5 and name N )
       (resid  5 and name CA) (resid  5 and name C )  1.0  -60  30 2
assign (resid  5 and name N ) (resid  5 and name CA)
       (resid  5 and name C ) (resid  6 and name N )  1.0  -40  40 2
assign (resid  5 and name C ) (resid  6 and name N )
       (resid  6 and name CA) (resid  6 and name C )  1.0  -60  30 2
assign (resid  6 and name N ) (resid  6 and name CA)
       (resid  6 and name C ) (resid  7 and name N )  1.0  -40  40 2
assign (resid  6 and name C ) (resid  7 and name N )
       (resid  7 and name CA) (resid  7 and name C )  1.0  -60  30 2
assign (resid  7 and name N ) (resid  7 and name CA)
       (resid  7 and name C ) (resid  8 and name N )  1.0  -40  40 2
assign (resid  7 and name C ) (resid  8 and name N )
       (resid  8 and name CA) (resid  8 and name C )  1.0  -60  30 2
assign (resid  8 and name N ) (resid  8 and name CA)
       (resid  8 and name C ) (resid  9 and name N )  1.0  -40  40 2
assign (resid  8 and name C ) (resid  9 and name N )
       (resid  9 and name CA) (resid  9 and name C )  1.0  -60  30 2
assign (resid  9 and name N ) (resid  9 and name CA)
       (resid  9 and name C ) (resid 10 and name N )  1.0  -40  40 2
assign (resid  9 and name C ) (resid 10 and name N )
       (resid 10 and name CA) (resid 10 and name C )  1.0  -60  30 2
assign (resid 10 and name N ) (resid 10 and name CA)
       (resid 10 and name C ) (resid 11 and name N )  1.0  -40  40 2
assign (resid 10 and name C ) (resid 11 and name N )
       (resid 11 and name CA) (resid 11 and name C )  1.0  -60  30 2
assign (resid 11 and name N ) (resid 11 and name CA)
       (resid 11 and name C ) (resid 12 and name N )  1.0  -40  40 2
assign (resid 11 and name C ) (resid 12 and name N )
       (resid 12 and name CA) (resid 12 and name C )  1.0  -60  30 2
assign (resid 12 and name N ) (resid 12 and name CA)
       (resid 12 and name C ) (resid 13 and name N )  1.0  -40  40 2
assign (resid 12 and name C ) (resid 13 and name N )
       (resid 13 and name CA) (resid 13 and name C )  1.0  -60  30 2
assign (resid 13 and name N ) (resid 13 and name CA)
       (resid 13 and name C ) (resid 14 and name N )  1.0  -40  40 2
assign (resid 13 and name C ) (resid 14 and name N )
       (resid 14 and name CA) (resid 14 and name C )  1.0  -60  30 2
assign (resid 14 and name N ) (resid 14 and name CA)
       (resid 14 and name C ) (resid 15 and name N )  1.0  -40  40 2
assign (resid 14 and name C ) (resid 15 and name N )
       (resid 15 and name CA) (resid 15 and name C )  1.0  -60  30 2
assign (resid 15 and name N ) (resid 15 and name CA)
       (resid 15 and name C ) (resid 16 and name N )  1.0  -40  40 2
assign (resid 23 and name C ) (resid 24 and name N )
       (resid 24 and name CA) (resid 24 and name C )  1.0  -60  30 2
assign (resid 24 and name N ) (resid 24 and name CA)
       (resid 24 and name C ) (resid 25 and name N )  1.0  -40  40 2
assign (resid 24 and name C ) (resid 25 and name N )
       (resid 25 and name CA) (resid 25 and name C )  1.0  -60  30 2
assign (resid 25 and name N ) (resid 25 and name CA)
       (resid 25 and name C ) (resid 26 and name N )  1.0  -40  40 2
assign (resid 25 and name C ) (resid 26 and name N )
       (resid 26 and name CA) (resid 26 and name C )  1.0  -60  30 2
assign (resid 26 and name N ) (resid 26 and name CA)
       (resid 26 and name C ) (resid 27 and name N )  1.0  -40  40 2
assign (resid 26 and name C ) (resid 27 and name N )
       (resid 27 and name CA) (resid 27 and name C )  1.0  -60  30 2
assign (resid 27 and name N ) (resid 27 and name CA)
       (resid 27 and name C ) (resid 28 and name N )  1.0  -40  40 2
assign (resid 27 and name C ) (resid 28 and name N )
       (resid 28 and name CA) (resid 28 and name C )  1.0  -60  30 2
assign (resid 28 and name N ) (resid 28 and name CA)
       (resid 28 and name C ) (resid 29 and name N )  1.0  -40  40 2
assign (resid 28 and name C ) (resid 29 and name N )
       (resid 29 and name CA) (resid 29 and name C )  1.0  -60  30 2
assign (resid 29 and name N ) (resid 29 and name CA)
       (resid 29 and name C ) (resid 30 and name N )  1.0  -40  40 2
assign (resid 29 and name C ) (resid 30 and name N )
       (resid 30 and name CA) (resid 30 and name C )  1.0  -60  30 2
assign (resid 30 and name N ) (resid 30 and name CA)
       (resid 30 and name C ) (resid 31 and name N )  1.0  -40  40 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          1HT       CYS   1 -37.141  -0.140  -0.801
    2   2H    CYS   1          2HT       CYS   1 -38.668   0.621  -1.001
    3   3H    CYS   1          3HT       CYS   1 -37.859   0.700   0.511
    4    HA   CYS   1           HA       CYS   1 -36.858   1.842  -2.003
    5   1HB   CYS   1          2HB       CYS   1 -38.449   2.984   0.281
    6   2HB   CYS   1          1HB       CYS   1 -37.421   4.007  -0.717
    7    HG   CYS   1           HG       CYS   1 -40.099   2.787  -1.557
    8    H    TRP   2           H        TRP   2 -34.889   0.731  -1.368
    9    HA   TRP   2           HA       TRP   2 -33.232   2.408   0.312
   10   1HB   TRP   2          2HB       TRP   2 -32.432  -0.116   1.184
   11   2HB   TRP   2          1HB       TRP   2 -33.339   1.039   2.102
   12    HD1  TRP   2           HD       TRP   2 -36.112   0.761   1.989
   13    HE1  TRP   2           1HE      TRP   2 -37.514  -1.390   1.831
   14    HE3  TRP   2           3HE      TRP   2 -32.490  -2.461   0.346
   15    HZ2  TRP   2           2HZ      TRP   2 -37.140  -4.090   1.102
   16    HZ3  TRP   2           3HZ      TRP   2 -33.091  -4.803  -0.060
   17    HH2  TRP   2           HH       TRP   2 -35.374  -5.607   0.315
   18    H    LEU   3           H        LEU   3 -32.408  -0.857  -0.351
   19    HA   LEU   3           HA       LEU   3 -30.934  -1.873  -1.602
   20   1HB   LEU   3          2HB       LEU   3 -32.672  -0.778  -3.275
   21   2HB   LEU   3          1HB       LEU   3 -31.238   0.066  -3.816
   22    HG   LEU   3           HG       LEU   3 -30.556  -2.674  -3.605
   23   1HD1  LEU   3          1HD1      LEU   3 -33.242  -2.644  -3.936
   24   2HD1  LEU   3          2HD1      LEU   3 -32.186  -3.893  -4.596
   25   3HD1  LEU   3          3HD1      LEU   3 -32.712  -2.555  -5.616
   26   1HD2  LEU   3          1HD2      LEU   3 -29.852  -0.686  -5.155
   27   2HD2  LEU   3          2HD2      LEU   3 -31.108  -1.338  -6.209
   28   3HD2  LEU   3          3HD2      LEU   3 -29.748  -2.353  -5.726
   29    H    CYS   4           H        CYS   4 -30.534   1.612  -1.913
   30    HA   CYS   4           HA       CYS   4 -28.017   1.908  -2.849
   31   1HB   CYS   4          2HB       CYS   4 -29.768   3.444  -1.135
   32   2HB   CYS   4          1HB       CYS   4 -28.082   3.675  -0.687
   33    HG   CYS   4           HG       CYS   4 -29.388   4.605  -3.315
   34    H    ARG   5           H        ARG   5 -28.864   0.391   0.104
   35    HA   ARG   5           HA       ARG   5 -26.490   0.723   1.562
   36   1HB   ARG   5          2HB       ARG   5 -28.892  -0.582   1.969
   37   2HB   ARG   5          1HB       ARG   5 -27.740  -1.905   1.868
   38   1HG   ARG   5          2HG       ARG   5 -26.774  -1.402   3.829
   39   2HG   ARG   5          1HG       ARG   5 -26.913   0.339   3.575
   40   1HD   ARG   5          2HD       ARG   5 -29.106  -1.541   4.464
   41   2HD   ARG   5          1HD       ARG   5 -28.301  -0.323   5.449
   42    HE   ARG   5           HE       ARG   5 -29.376   1.060   3.337
   43   1HH1  ARG   5          1HH1      ARG   5 -30.643  -1.025   5.845
   44   2HH1  ARG   5          2HH1      ARG   5 -32.184  -0.236   5.889
   45   1HH2  ARG   5          1HH2      ARG   5 -31.406   2.091   3.408
   46   2HH2  ARG   5          2HH2      ARG   5 -32.615   1.526   4.511
   47    H    ALA   6           H        ALA   6 -27.086  -0.967  -1.316
   48    HA   ALA   6           HA       ALA   6 -25.052  -2.966  -0.957
   49   1HB   ALA   6          1HB       ALA   6 -27.190  -3.122  -2.372
   50   2HB   ALA   6          2HB       ALA   6 -25.698  -3.779  -3.047
   51   3HB   ALA   6          3HB       ALA   6 -26.290  -2.205  -3.580
   52    H    LEU   7           H        LEU   7 -25.333   0.167  -2.585
   53    HA   LEU   7           HA       LEU   7 -22.821   0.048  -3.895
   54   1HB   LEU   7          2HB       LEU   7 -23.395   2.766  -3.331
   55   2HB   LEU   7          1HB       LEU   7 -23.525   1.925  -4.859
   56    HG   LEU   7           HG       LEU   7 -25.731   2.079  -2.815
   57   1HD1  LEU   7          1HD1      LEU   7 -26.641   3.557  -4.837
   58   2HD1  LEU   7          2HD1      LEU   7 -24.918   3.889  -5.004
   59   3HD1  LEU   7          3HD1      LEU   7 -25.741   4.242  -3.485
   60   1HD2  LEU   7          1HD2      LEU   7 -26.989   0.805  -4.169
   61   2HD2  LEU   7          2HD2      LEU   7 -25.447   0.280  -4.846
   62   3HD2  LEU   7          3HD2      LEU   7 -26.362   1.569  -5.629
   63    H    ILE   8           H        ILE   8 -23.884   0.977  -0.724
   64    HA   ILE   8           HA       ILE   8 -21.482   2.290  -0.043
   65    HB   ILE   8           HB       ILE   8 -22.236   1.899   2.376
   66   1HG1  ILE   8          2HG1      ILE   8 -24.976   1.589   1.832
   67   2HG1  ILE   8          1HG1      ILE   8 -24.157   0.312   0.943
   68   1HG2  ILE   8          1HG2      ILE   8 -24.398   3.345   0.994
   69   2HG2  ILE   8          2HG2      ILE   8 -22.757   3.839   0.580
   70   3HG2  ILE   8          3HG2      ILE   8 -23.295   3.890   2.259
   71   1HD1  ILE   8          1HD1      ILE   8 -23.168  -0.532   2.939
   72   2HD1  ILE   8          2HD1      ILE   8 -24.896  -0.324   3.225
   73   3HD1  ILE   8          3HD1      ILE   8 -23.747   0.850   3.869
   74    H    LYS   9           H        LYS   9 -22.640  -1.028   0.586
   75    HA   LYS   9           HA       LYS   9 -20.374  -1.812   2.039
   76   1HB   LYS   9          2HB       LYS   9 -21.541  -3.909   0.327
   77   2HB   LYS   9          1HB       LYS   9 -21.224  -3.919   2.053
   78   1HG   LYS   9          2HG       LYS   9 -23.242  -2.402   2.284
   79   2HG   LYS   9          1HG       LYS   9 -23.593  -2.809   0.602
   80   1HD   LYS   9          2HD       LYS   9 -23.087  -5.256   1.787
   81   2HD   LYS   9          1HD       LYS   9 -24.003  -4.375   3.011
   82   1HE   LYS   9          2HE       LYS   9 -25.725  -3.877   1.328
   83   2HE   LYS   9          1HE       LYS   9 -24.816  -4.807   0.140
   84   1HZ   LYS   9          1HZ       LYS   9 -26.279  -6.370   0.866
   85   2HZ   LYS   9          2HZ       LYS   9 -26.377  -5.741   2.432
   86   3HZ   LYS   9          3HZ       LYS   9 -25.026  -6.647   1.973
   87    H    ARG  10           H        ARG  10 -20.819  -1.230  -1.272
   88    HA   ARG  10           HA       ARG  10 -18.734  -2.834  -2.289
   89   1HB   ARG  10          2HB       ARG  10 -20.332  -0.530  -3.287
   90   2HB   ARG  10          1HB       ARG  10 -18.854  -0.941  -4.150
   91   1HG   ARG  10          2HG       ARG  10 -19.707  -2.857  -4.961
   92   2HG   ARG  10          1HG       ARG  10 -20.619  -3.188  -3.489
   93   1HD   ARG  10          2HD       ARG  10 -22.277  -1.533  -4.125
   94   2HD   ARG  10          1HD       ARG  10 -21.376  -1.171  -5.598
   95    HE   ARG  10           HE       ARG  10 -22.353  -3.003  -6.561
   96   1HH1  ARG  10          1HH1      ARG  10 -22.548  -3.318  -3.102
   97   2HH1  ARG  10          2HH1      ARG  10 -23.450  -4.796  -3.151
   98   1HH2  ARG  10          1HH2      ARG  10 -23.538  -4.968  -6.647
   99   2HH2  ARG  10          2HH2      ARG  10 -24.013  -5.736  -5.168
  100    H    ILE  11           H        ILE  11 -18.871   0.608  -1.424
  101    HA   ILE  11           HA       ILE  11 -16.190   1.243  -1.853
  102    HB   ILE  11           HB       ILE  11 -17.972   2.172   0.407
  103   1HG1  ILE  11          2HG1      ILE  11 -17.531   4.097  -1.695
  104   2HG1  ILE  11          1HG1      ILE  11 -18.171   2.599  -2.368
  105   1HG2  ILE  11          1HG2      ILE  11 -16.362   3.532   1.129
  106   2HG2  ILE  11          2HG2      ILE  11 -15.953   4.047  -0.505
  107   3HG2  ILE  11          3HG2      ILE  11 -15.250   2.572   0.158
  108   1HD1  ILE  11          1HD1      ILE  11 -19.624   3.246  -0.003
  109   2HD1  ILE  11          2HD1      ILE  11 -20.200   3.124  -1.665
  110   3HD1  ILE  11          3HD1      ILE  11 -19.570   4.657  -1.060
  111    H    GLN  12           H        GLN  12 -17.843  -0.496   0.647
  112    HA   GLN  12           HA       GLN  12 -15.875  -0.632   2.618
  113   1HB   GLN  12          2HB       GLN  12 -17.535  -1.732   3.636
  114   2HB   GLN  12          1HB       GLN  12 -18.430  -1.691   2.128
  115   1HG   GLN  12          2HG       GLN  12 -18.452  -3.921   2.782
  116   2HG   GLN  12          1HG       GLN  12 -17.220  -3.834   1.525
  117   1HE2  GLN  12          1HE2      GLN  12 -15.881  -5.417   2.087
  118   2HE2  GLN  12          2HE2      GLN  12 -15.060  -5.544   3.597
  119    H    ALA  13           H        ALA  13 -16.251  -2.503  -0.349
  120    HA   ALA  13           HA       ALA  13 -14.121  -4.339   0.371
  121   1HB   ALA  13          1HB       ALA  13 -14.558  -5.446  -1.695
  122   2HB   ALA  13          2HB       ALA  13 -15.471  -4.065  -2.304
  123   3HB   ALA  13          3HB       ALA  13 -16.110  -5.024  -0.971
  124    H    MET  14           H        MET  14 -14.335  -1.312  -1.277
  125    HA   MET  14           HA       MET  14 -11.812  -1.748  -2.651
  126   1HB   MET  14          2HB       MET  14 -12.156   0.556  -3.569
  127   2HB   MET  14          1HB       MET  14 -13.391  -0.621  -3.991
  128   1HG   MET  14          2HG       MET  14 -14.507   1.384  -3.509
  129   2HG   MET  14          1HG       MET  14 -14.779   0.321  -2.130
  130   1HE   MET  14          1HE       MET  14 -13.764   3.971  -3.061
  131   2HE   MET  14          2HE       MET  14 -14.212   4.390  -1.410
  132   3HE   MET  14          3HE       MET  14 -15.266   3.360  -2.373
  133    H    ILE  15           H        ILE  15 -12.467  -0.918   0.458
  134    HA   ILE  15           HA       ILE  15 -10.735   1.216   0.687
  135    HB   ILE  15           HB       ILE  15 -10.773   0.333   3.300
  136   1HG1  ILE  15          2HG1      ILE  15 -13.574  -0.075   2.352
  137   2HG1  ILE  15          1HG1      ILE  15 -12.414  -1.378   2.114
  138   1HG2  ILE  15          1HG2      ILE  15 -11.782   2.282   3.747
  139   2HG2  ILE  15          2HG2      ILE  15 -13.100   1.985   2.612
  140   3HG2  ILE  15          3HG2      ILE  15 -11.557   2.618   2.032
  141   1HD1  ILE  15          1HD1      ILE  15 -13.385  -0.198   4.684
  142   2HD1  ILE  15          2HD1      ILE  15 -11.911  -1.164   4.593
  143   3HD1  ILE  15          3HD1      ILE  15 -13.462  -1.874   4.124
  144    HA   PRO  16           HA       PRO  16  -7.404  -2.096   1.888
  145   1HB   PRO  16          2HB       PRO  16  -7.503  -3.221  -0.824
  146   2HB   PRO  16          1HB       PRO  16  -7.533  -4.050   0.739
  147   1HG   PRO  16          2HG       PRO  16  -9.732  -3.879  -0.869
  148   2HG   PRO  16          1HG       PRO  16  -9.836  -3.951   0.900
  149   1HD   PRO  16          2HD       PRO  16 -10.111  -1.519  -0.873
  150   2HD   PRO  16          1HD       PRO  16 -10.959  -1.919   0.609
  151    H    LYS  17           H        LYS  17  -5.177  -2.078   1.118
  152    HA   LYS  17           HA       LYS  17  -3.790  -1.358  -0.947
  153   1HB   LYS  17          2HB       LYS  17  -5.394   1.062  -0.279
  154   2HB   LYS  17          1HB       LYS  17  -3.714   1.321  -0.701
  155   1HG   LYS  17          2HG       LYS  17  -4.660  -0.412  -2.661
  156   2HG   LYS  17          1HG       LYS  17  -5.968   0.741  -2.404
  157   1HD   LYS  17          2HD       LYS  17  -4.837   2.091  -3.783
  158   2HD   LYS  17          1HD       LYS  17  -3.742   2.351  -2.425
  159   1HE   LYS  17          2HE       LYS  17  -2.129   1.600  -3.769
  160   2HE   LYS  17          1HE       LYS  17  -2.826  -0.000  -3.530
  161   1HZ   LYS  17          1HZ       LYS  17  -4.298   0.560  -5.492
  162   2HZ   LYS  17          2HZ       LYS  17  -2.665   0.283  -5.834
  163   3HZ   LYS  17          3HZ       LYS  17  -3.261   1.865  -5.785
  164    H    GLY  18           H        GLY  18  -1.650  -0.644  -0.568
  165   1HA   GLY  18          2HA       GLY  18  -0.880   0.561   1.911
  166   2HA   GLY  18          1HA       GLY  18  -0.601  -1.171   1.928
  167    H    GLY  19           H        GLY  19   1.024  -2.054   0.646
  168   1HA   GLY  19          2HA       GLY  19   3.112  -2.126  -0.364
  169   2HA   GLY  19          1HA       GLY  19   2.561  -0.766  -1.319
  170    H    ARG  20           H        ARG  20   5.241  -1.235  -0.466
  171    HA   ARG  20           HA       ARG  20   6.541   0.861  -0.032
  172   1HB   ARG  20          2HB       ARG  20   5.115   2.012   1.445
  173   2HB   ARG  20          1HB       ARG  20   4.920   0.614   2.491
  174   1HG   ARG  20          2HG       ARG  20   7.680   1.507   2.292
  175   2HG   ARG  20          1HG       ARG  20   6.591   2.737   2.935
  176   1HD   ARG  20          2HD       ARG  20   6.569   1.700   4.900
  177   2HD   ARG  20          1HD       ARG  20   5.929   0.247   4.133
  178    HE   ARG  20           HE       ARG  20   8.750   0.514   3.786
  179   1HH1  ARG  20          1HH1      ARG  20   6.289  -0.528   6.038
  180   2HH1  ARG  20          2HH1      ARG  20   7.325  -1.673   6.822
  181   1HH2  ARG  20          1HH2      ARG  20  10.097  -1.001   4.810
  182   2HH2  ARG  20          2HH2      ARG  20   9.480  -1.943   6.125
  183    H    MET  21           H        MET  21   8.035  -0.777  -0.535
  184    HA   MET  21           HA       MET  21   8.877  -2.544   1.630
  185   1HB   MET  21          2HB       MET  21  10.576  -3.272  -0.251
  186   2HB   MET  21          1HB       MET  21   8.920  -3.852  -0.248
  187   1HG   MET  21          2HG       MET  21   9.512  -1.357  -1.736
  188   2HG   MET  21          1HG       MET  21  10.077  -2.883  -2.410
  189   1HE   MET  21          1HE       MET  21   7.144  -2.011  -4.597
  190   2HE   MET  21          2HE       MET  21   8.636  -1.272  -4.017
  191   3HE   MET  21          3HE       MET  21   7.081  -0.693  -3.423
  192    H    LEU  22           H        LEU  22  10.337  -0.205  -0.548
  193    HA   LEU  22           HA       LEU  22  12.224   1.108  -0.418
  194   1HB   LEU  22          2HB       LEU  22  10.998   2.078   1.464
  195   2HB   LEU  22          1HB       LEU  22  11.686   0.878   2.543
  196    HG   LEU  22           HG       LEU  22  13.773   2.336   1.154
  197   1HD1  LEU  22          1HD1      LEU  22  12.058   4.126   1.151
  198   2HD1  LEU  22          2HD1      LEU  22  13.469   4.504   2.141
  199   3HD1  LEU  22          3HD1      LEU  22  11.963   3.992   2.904
  200   1HD2  LEU  22          1HD2      LEU  22  14.118   2.892   3.757
  201   2HD2  LEU  22          2HD2      LEU  22  14.596   1.367   3.018
  202   3HD2  LEU  22          3HD2      LEU  22  13.068   1.475   3.887
  203    HA   PRO  23           HA       PRO  23  15.253  -2.188   0.878
  204   1HB   PRO  23          2HB       PRO  23  15.629  -3.536  -1.361
  205   2HB   PRO  23          1HB       PRO  23  14.135  -3.754  -0.440
  206   1HG   PRO  23          2HG       PRO  23  14.589  -2.285  -2.985
  207   2HG   PRO  23          1HG       PRO  23  13.146  -3.143  -2.427
  208   1HD   PRO  23          2HD       PRO  23  13.677  -0.332  -2.271
  209   2HD   PRO  23          1HD       PRO  23  12.268  -1.208  -1.638
  210    H    GLN  24           H        GLN  24  16.045   0.427   0.464
  211    HA   GLN  24           HA       GLN  24  18.036   0.463  -1.655
  212   1HB   GLN  24          2HB       GLN  24  18.267   2.781  -1.273
  213   2HB   GLN  24          1HB       GLN  24  16.548   2.431  -1.128
  214   1HG   GLN  24          2HG       GLN  24  16.862   3.798   0.679
  215   2HG   GLN  24          1HG       GLN  24  17.117   2.221   1.421
  216   1HE2  GLN  24          1HE2      GLN  24  18.804   2.124   2.721
  217   2HE2  GLN  24          2HE2      GLN  24  20.252   3.056   2.579
  218    H    LEU  25           H        LEU  25  18.112  -0.690   1.445
  219    HA   LEU  25           HA       LEU  25  20.340   0.428   2.621
  220   1HB   LEU  25          2HB       LEU  25  18.715  -1.751   3.137
  221   2HB   LEU  25          1HB       LEU  25  20.307  -2.440   3.012
  222    HG   LEU  25           HG       LEU  25  20.372  -1.994   5.210
  223   1HD1  LEU  25          1HD1      LEU  25  20.846   0.866   4.443
  224   2HD1  LEU  25          2HD1      LEU  25  21.987  -0.416   4.057
  225   3HD1  LEU  25          3HD1      LEU  25  21.594  -0.068   5.738
  226   1HD2  LEU  25          1HD2      LEU  25  18.949  -0.547   6.391
  227   2HD2  LEU  25          2HD2      LEU  25  17.968  -1.156   5.058
  228   3HD2  LEU  25          3HD2      LEU  25  18.664   0.461   4.971
  229    H    VAL  26           H        VAL  26  20.579  -2.816   1.248
  230    HA   VAL  26           HA       VAL  26  23.282  -2.965   1.135
  231    HB   VAL  26           HB       VAL  26  21.516  -4.126  -1.024
  232   1HG1  VAL  26          1HG1      VAL  26  24.102  -5.135   0.157
  233   2HG1  VAL  26          2HG1      VAL  26  23.965  -4.266  -1.372
  234   3HG1  VAL  26          3HG1      VAL  26  23.197  -5.842  -1.184
  235   1HG2  VAL  26          1HG2      VAL  26  20.440  -5.181   0.624
  236   2HG2  VAL  26          2HG2      VAL  26  21.596  -4.630   1.837
  237   3HG2  VAL  26          3HG2      VAL  26  21.934  -6.078   0.889
  238    H    CYS  27           H        CYS  27  21.218  -1.290  -1.150
  239    HA   CYS  27           HA       CYS  27  22.959  -1.034  -3.294
  240   1HB   CYS  27          2HB       CYS  27  20.629  -0.330  -3.403
  241   2HB   CYS  27          1HB       CYS  27  20.948   0.967  -2.253
  242    HG   CYS  27           HG       CYS  27  22.705   1.664  -4.398
  243    H    ARG  28           H        ARG  28  22.337   1.609  -1.001
  244    HA   ARG  28           HA       ARG  28  24.962   2.706  -1.577
  245   1HB   ARG  28          2HB       ARG  28  23.052   4.211  -1.597
  246   2HB   ARG  28          1HB       ARG  28  22.675   3.784   0.066
  247   1HG   ARG  28          2HG       ARG  28  23.866   6.006  -0.370
  248   2HG   ARG  28          1HG       ARG  28  24.488   4.976   0.919
  249   1HD   ARG  28          2HD       ARG  28  25.924   4.098  -1.222
  250   2HD   ARG  28          1HD       ARG  28  25.722   5.795  -1.620
  251    HE   ARG  28           HE       ARG  28  26.570   5.571   1.045
  252   1HH1  ARG  28          1HH1      ARG  28  27.741   5.106  -2.214
  253   2HH1  ARG  28          2HH1      ARG  28  29.400   5.371  -1.789
  254   1HH2  ARG  28          1HH2      ARG  28  28.757   5.910   1.601
  255   2HH2  ARG  28          2HH2      ARG  28  29.974   5.824   0.372
  256    H    LEU  29           H        LEU  29  23.939   0.474   0.597
  257    HA   LEU  29           HA       LEU  29  25.395   1.573   2.848
  258   1HB   LEU  29          2HB       LEU  29  23.282   0.467   3.229
  259   2HB   LEU  29          1HB       LEU  29  23.917  -1.020   2.546
  260    HG   LEU  29           HG       LEU  29  25.728  -0.713   4.448
  261   1HD1  LEU  29          1HD1      LEU  29  25.157   1.273   5.465
  262   2HD1  LEU  29          2HD1      LEU  29  24.338   0.098   6.495
  263   3HD1  LEU  29          3HD1      LEU  29  23.425   0.993   5.280
  264   1HD2  LEU  29          1HD2      LEU  29  24.381  -2.183   5.851
  265   2HD2  LEU  29          2HD2      LEU  29  24.248  -2.630   4.149
  266   3HD2  LEU  29          3HD2      LEU  29  22.941  -1.750   4.934
  267    H    VAL  30           H        VAL  30  25.834  -0.949   0.432
  268    HA   VAL  30           HA       VAL  30  28.074  -2.044   1.848
  269    HB   VAL  30           HB       VAL  30  26.720  -3.561   0.579
  270   1HG1  VAL  30          1HG1      VAL  30  26.444  -1.595  -1.284
  271   2HG1  VAL  30          2HG1      VAL  30  25.976  -3.281  -1.498
  272   3HG1  VAL  30          3HG1      VAL  30  27.535  -2.720  -2.100
  273   1HG2  VAL  30          1HG2      VAL  30  29.393  -3.278  -0.794
  274   2HG2  VAL  30          2HG2      VAL  30  28.417  -4.741  -0.656
  275   3HG2  VAL  30          3HG2      VAL  30  29.140  -4.023   0.783
  276    H    LEU  31           H        LEU  31  28.207  -1.089  -1.543
  277    HA   LEU  31           HA       LEU  31  30.041  -0.332  -2.709
  278   1HB   LEU  31          2HB       LEU  31  28.430   1.601  -1.929
  279   2HB   LEU  31          1HB       LEU  31  29.809   2.082  -0.959
  280    HG   LEU  31           HG       LEU  31  29.556   3.234  -3.202
  281   1HD1  LEU  31          1HD1      LEU  31  32.159   1.765  -2.884
  282   2HD1  LEU  31          2HD1      LEU  31  31.662   3.086  -1.827
  283   3HD1  LEU  31          3HD1      LEU  31  31.888   3.374  -3.552
  284   1HD2  LEU  31          1HD2      LEU  31  29.076   0.868  -4.271
  285   2HD2  LEU  31          2HD2      LEU  31  30.831   0.856  -4.454
  286   3HD2  LEU  31          3HD2      LEU  31  29.875   2.146  -5.183
  287    H    ARG  32           H        ARG  32  30.997  -1.987  -0.933
  288    HA   ARG  32           HA       ARG  32  32.930  -0.891   0.824
  289   1HB   ARG  32          2HB       ARG  32  31.929  -3.230   0.894
  290   2HB   ARG  32          1HB       ARG  32  33.030  -3.637  -0.417
  291   1HG   ARG  32          2HG       ARG  32  33.950  -4.316   1.705
  292   2HG   ARG  32          1HG       ARG  32  34.926  -3.031   0.990
  293   1HD   ARG  32          2HD       ARG  32  33.893  -1.391   2.440
  294   2HD   ARG  32          1HD       ARG  32  32.811  -2.617   3.097
  295    HE   ARG  32           HE       ARG  32  34.517  -3.357   4.453
  296   1HH1  ARG  32          1HH1      ARG  32  35.814  -1.196   2.043
  297   2HH1  ARG  32          2HH1      ARG  32  37.381  -1.115   2.777
  298   1HH2  ARG  32          1HH2      ARG  32  36.575  -3.263   5.422
  299   2HH2  ARG  32          2HH2      ARG  32  37.816  -2.291   4.700
  300    H    CYS  33           H        CYS  33  33.313  -2.596  -2.293
  301    HA   CYS  33           HA       CYS  33  34.808  -2.296  -3.992
  302   1HB   CYS  33          2HB       CYS  33  34.735   0.275  -2.718
  303   2HB   CYS  33          1HB       CYS  33  36.380  -0.086  -3.217
  304    HG   CYS  33           HG       CYS  33  35.754   0.396  -5.519
  305    H    SER  34           H        SER  34  36.096  -1.601  -0.822
  306    HA   SER  34           HA       SER  34  38.751  -2.391  -1.342
  307   1HB   SER  34          2HB       SER  34  37.389  -1.214   0.758
  308   2HB   SER  34          1HB       SER  34  37.928  -2.755   1.425
  309    HG   SER  34           HG       SER  34  40.042  -2.113   0.444
  Start of MODEL    2
    1   1H    CYS   1          1HT       CYS   1 -37.941  -0.130  -2.089
    2   2H    CYS   1          2HT       CYS   1 -39.431   0.390  -1.412
    3   3H    CYS   1          3HT       CYS   1 -38.690  -1.056  -0.857
    4    HA   CYS   1           HA       CYS   1 -37.889   1.727  -0.428
    5   1HB   CYS   1          2HB       CYS   1 -38.511  -0.676   1.295
    6   2HB   CYS   1          1HB       CYS   1 -37.798   0.800   1.938
    7    HG   CYS   1           HG       CYS   1 -40.644   0.742   0.672
    8    H    TRP   2           H        TRP   2 -35.830   2.189   0.274
    9    HA   TRP   2           HA       TRP   2 -33.556   2.104   0.143
   10   1HB   TRP   2          2HB       TRP   2 -32.577  -0.029   1.248
   11   2HB   TRP   2          1HB       TRP   2 -33.474   1.102   2.223
   12    HD1  TRP   2           HD       TRP   2 -35.775   0.228   3.282
   13    HE1  TRP   2           1HE      TRP   2 -36.833  -2.118   3.437
   14    HE3  TRP   2           3HE      TRP   2 -32.798  -2.215  -0.064
   15    HZ2  TRP   2           2HZ      TRP   2 -36.446  -4.674   2.281
   16    HZ3  TRP   2           3HZ      TRP   2 -33.197  -4.603  -0.489
   17    HH2  TRP   2           HH       TRP   2 -34.985  -5.808   0.661
   18    H    LEU   3           H        LEU   3 -31.618   0.684  -0.326
   19    HA   LEU   3           HA       LEU   3 -31.475  -1.539  -1.774
   20   1HB   LEU   3          2HB       LEU   3 -33.059  -0.198  -3.366
   21   2HB   LEU   3          1HB       LEU   3 -31.590   0.611  -3.857
   22    HG   LEU   3           HG       LEU   3 -30.831  -1.988  -4.044
   23   1HD1  LEU   3          1HD1      LEU   3 -33.481  -2.300  -3.646
   24   2HD1  LEU   3          2HD1      LEU   3 -32.498  -3.407  -4.604
   25   3HD1  LEU   3          3HD1      LEU   3 -33.445  -2.152  -5.403
   26   1HD2  LEU   3          1HD2      LEU   3 -30.693  -0.008  -5.671
   27   2HD2  LEU   3          2HD2      LEU   3 -32.221  -0.605  -6.319
   28   3HD2  LEU   3          3HD2      LEU   3 -30.787  -1.631  -6.355
   29    H    CYS   4           H        CYS   4 -30.514   1.813  -2.152
   30    HA   CYS   4           HA       CYS   4 -28.002   1.653  -3.163
   31   1HB   CYS   4          2HB       CYS   4 -29.513   3.544  -1.620
   32   2HB   CYS   4          1HB       CYS   4 -27.823   3.587  -1.134
   33    HG   CYS   4           HG       CYS   4 -28.941   4.559  -3.803
   34    H    ARG   5           H        ARG   5 -28.948   0.536  -0.039
   35    HA   ARG   5           HA       ARG   5 -26.573   0.793   1.382
   36   1HB   ARG   5          2HB       ARG   5 -28.977  -0.313   1.924
   37   2HB   ARG   5          1HB       ARG   5 -28.003  -1.767   1.759
   38   1HG   ARG   5          2HG       ARG   5 -27.008  -1.448   3.727
   39   2HG   ARG   5          1HG       ARG   5 -26.716   0.260   3.399
   40   1HD   ARG   5          2HD       ARG   5 -28.238  -0.329   5.370
   41   2HD   ARG   5          1HD       ARG   5 -28.797   0.901   4.240
   42    HE   ARG   5           HE       ARG   5 -29.708  -1.796   3.700
   43   1HH1  ARG   5          1HH1      ARG   5 -30.384   1.253   5.269
   44   2HH1  ARG   5          2HH1      ARG   5 -32.094   0.991   5.316
   45   1HH2  ARG   5          1HH2      ARG   5 -31.960  -2.139   3.764
   46   2HH2  ARG   5          2HH2      ARG   5 -32.990  -0.934   4.461
   47    H    ALA   6           H        ALA   6 -27.095  -1.090  -1.397
   48    HA   ALA   6           HA       ALA   6 -25.085  -3.065  -0.841
   49   1HB   ALA   6          1HB       ALA   6 -26.043  -2.487  -3.605
   50   2HB   ALA   6          2HB       ALA   6 -27.168  -3.172  -2.432
   51   3HB   ALA   6          3HB       ALA   6 -25.683  -4.033  -2.838
   52    H    LEU   7           H        LEU   7 -25.265  -0.086  -2.772
   53    HA   LEU   7           HA       LEU   7 -22.646  -0.359  -3.839
   54   1HB   LEU   7          2HB       LEU   7 -23.234   2.374  -3.881
   55   2HB   LEU   7          1HB       LEU   7 -23.396   1.228  -5.194
   56    HG   LEU   7           HG       LEU   7 -25.607   1.743  -3.219
   57   1HD1  LEU   7          1HD1      LEU   7 -26.512   3.039  -5.312
   58   2HD1  LEU   7          2HD1      LEU   7 -24.793   3.260  -5.640
   59   3HD1  LEU   7          3HD1      LEU   7 -25.483   3.837  -4.122
   60   1HD2  LEU   7          1HD2      LEU   7 -26.881   0.380  -4.484
   61   2HD2  LEU   7          2HD2      LEU   7 -25.324  -0.291  -4.967
   62   3HD2  LEU   7          3HD2      LEU   7 -26.129   0.899  -5.991
   63    H    ILE   8           H        ILE   8 -23.918   0.905  -0.876
   64    HA   ILE   8           HA       ILE   8 -21.580   2.418  -0.302
   65    HB   ILE   8           HB       ILE   8 -22.410   2.435   2.082
   66   1HG1  ILE   8          2HG1      ILE   8 -25.057   1.804   1.851
   67   2HG1  ILE   8          1HG1      ILE   8 -24.309   0.544   0.879
   68   1HG2  ILE   8          1HG2      ILE   8 -24.656   3.373   0.399
   69   2HG2  ILE   8          2HG2      ILE   8 -23.047   3.984   0.013
   70   3HG2  ILE   8          3HG2      ILE   8 -23.720   4.229   1.625
   71   1HD1  ILE   8          1HD1      ILE   8 -23.723  -0.563   2.699
   72   2HD1  ILE   8          2HD1      ILE   8 -24.600   0.629   3.658
   73   3HD1  ILE   8          3HD1      ILE   8 -22.879   0.848   3.337
   74    H    LYS   9           H        LYS   9 -22.736  -0.814   0.571
   75    HA   LYS   9           HA       LYS   9 -20.442  -1.440   2.155
   76   1HB   LYS   9          2HB       LYS   9 -21.205  -3.802   1.913
   77   2HB   LYS   9          1HB       LYS   9 -22.457  -2.716   2.494
   78   1HG   LYS   9          2HG       LYS   9 -23.350  -2.607   0.168
   79   2HG   LYS   9          1HG       LYS   9 -22.176  -3.845  -0.282
   80   1HD   LYS   9          2HD       LYS   9 -23.188  -5.194   1.673
   81   2HD   LYS   9          1HD       LYS   9 -24.531  -4.056   1.563
   82   1HE   LYS   9          2HE       LYS   9 -24.068  -4.838  -1.063
   83   2HE   LYS   9          1HE       LYS   9 -23.874  -6.317  -0.123
   84   1HZ   LYS   9          1HZ       LYS   9 -26.199  -5.694  -0.950
   85   2HZ   LYS   9          2HZ       LYS   9 -26.203  -4.557   0.302
   86   3HZ   LYS   9          3HZ       LYS   9 -26.036  -6.202   0.656
   87    H    ARG  10           H        ARG  10 -20.946  -1.062  -1.139
   88    HA   ARG  10           HA       ARG  10 -19.110  -2.920  -2.236
   89   1HB   ARG  10          2HB       ARG  10 -20.678  -0.645  -3.156
   90   2HB   ARG  10          1HB       ARG  10 -19.073  -0.635  -3.866
   91   1HG   ARG  10          2HG       ARG  10 -20.621  -1.771  -5.304
   92   2HG   ARG  10          1HG       ARG  10 -19.447  -2.927  -4.667
   93   1HD   ARG  10          2HD       ARG  10 -21.207  -3.355  -2.840
   94   2HD   ARG  10          1HD       ARG  10 -22.327  -2.553  -3.936
   95    HE   ARG  10           HE       ARG  10 -21.303  -4.403  -5.540
   96   1HH1  ARG  10          1HH1      ARG  10 -22.354  -4.694  -2.221
   97   2HH1  ARG  10          2HH1      ARG  10 -22.962  -6.300  -2.425
   98   1HH2  ARG  10          1HH2      ARG  10 -22.132  -6.512  -5.809
   99   2HH2  ARG  10          2HH2      ARG  10 -22.846  -7.327  -4.458
  100    H    ILE  11           H        ILE  11 -18.832   0.588  -1.748
  101    HA   ILE  11           HA       ILE  11 -16.087   0.835  -2.074
  102    HB   ILE  11           HB       ILE  11 -17.649   2.389  -0.019
  103   1HG1  ILE  11          2HG1      ILE  11 -17.513   3.725  -2.564
  104   2HG1  ILE  11          1HG1      ILE  11 -18.280   2.155  -2.768
  105   1HG2  ILE  11          1HG2      ILE  11 -15.166   2.885  -1.616
  106   2HG2  ILE  11          2HG2      ILE  11 -15.408   2.985   0.129
  107   3HG2  ILE  11          3HG2      ILE  11 -16.095   4.218  -0.929
  108   1HD1  ILE  11          1HD1      ILE  11 -19.424   3.268  -0.471
  109   2HD1  ILE  11          2HD1      ILE  11 -20.166   3.067  -2.059
  110   3HD1  ILE  11          3HD1      ILE  11 -19.338   4.571  -1.657
  111    H    GLN  12           H        GLN  12 -17.996  -0.175   0.678
  112    HA   GLN  12           HA       GLN  12 -16.164  -0.105   2.746
  113   1HB   GLN  12          2HB       GLN  12 -18.587  -0.841   2.823
  114   2HB   GLN  12          1HB       GLN  12 -18.041  -2.416   2.266
  115   1HG   GLN  12          2HG       GLN  12 -16.629  -1.357   4.613
  116   2HG   GLN  12          1HG       GLN  12 -18.335  -1.731   4.853
  117   1HE2  GLN  12          1HE2      GLN  12 -15.203  -3.028   4.027
  118   2HE2  GLN  12          2HE2      GLN  12 -15.598  -4.687   4.301
  119    H    ALA  13           H        ALA  13 -16.500  -2.530   0.199
  120    HA   ALA  13           HA       ALA  13 -14.219  -4.028   1.230
  121   1HB   ALA  13          1HB       ALA  13 -14.812  -5.738  -0.237
  122   2HB   ALA  13          2HB       ALA  13 -15.674  -4.642  -1.318
  123   3HB   ALA  13          3HB       ALA  13 -16.359  -5.050   0.256
  124    H    MET  14           H        MET  14 -14.700  -1.426  -0.850
  125    HA   MET  14           HA       MET  14 -12.500  -2.035  -2.633
  126   1HB   MET  14          2HB       MET  14 -14.046   0.540  -2.509
  127   2HB   MET  14          1HB       MET  14 -13.107  -0.086  -3.856
  128   1HG   MET  14          2HG       MET  14 -14.907  -2.067  -3.581
  129   2HG   MET  14          1HG       MET  14 -15.852  -0.699  -3.008
  130   1HE   MET  14          1HE       MET  14 -16.901   1.149  -6.017
  131   2HE   MET  14          2HE       MET  14 -16.136   1.599  -4.493
  132   3HE   MET  14          3HE       MET  14 -17.394   0.365  -4.515
  133    H    ILE  15           H        ILE  15 -12.577  -0.955   0.420
  134    HA   ILE  15           HA       ILE  15 -10.734   1.137   0.069
  135    HB   ILE  15           HB       ILE  15 -10.785   1.129   2.742
  136   1HG1  ILE  15          2HG1      ILE  15 -13.608   0.440   2.301
  137   2HG1  ILE  15          1HG1      ILE  15 -12.500  -0.920   2.166
  138   1HG2  ILE  15          1HG2      ILE  15 -13.209   2.264   1.502
  139   2HG2  ILE  15          2HG2      ILE  15 -11.663   2.777   0.827
  140   3HG2  ILE  15          3HG2      ILE  15 -12.000   3.019   2.541
  141   1HD1  ILE  15          1HD1      ILE  15 -12.683   0.932   4.516
  142   2HD1  ILE  15          2HD1      ILE  15 -11.646  -0.487   4.369
  143   3HD1  ILE  15          3HD1      ILE  15 -13.398  -0.677   4.408
  144    HA   PRO  16           HA       PRO  16  -7.517  -1.893   1.771
  145   1HB   PRO  16          2HB       PRO  16  -7.127  -3.637  -0.322
  146   2HB   PRO  16          1HB       PRO  16  -8.144  -3.956   1.082
  147   1HG   PRO  16          2HG       PRO  16  -8.922  -3.399  -1.677
  148   2HG   PRO  16          1HG       PRO  16  -9.896  -4.060  -0.357
  149   1HD   PRO  16          2HD       PRO  16  -9.868  -1.347  -1.375
  150   2HD   PRO  16          1HD       PRO  16 -10.882  -1.993  -0.101
  151    H    LYS  17           H        LYS  17  -5.250  -2.038   1.162
  152    HA   LYS  17           HA       LYS  17  -3.774  -1.614  -0.975
  153   1HB   LYS  17          2HB       LYS  17  -5.315   0.881  -0.543
  154   2HB   LYS  17          1HB       LYS  17  -3.599   1.096  -0.856
  155   1HG   LYS  17          2HG       LYS  17  -3.768  -0.063  -2.946
  156   2HG   LYS  17          1HG       LYS  17  -5.449  -0.487  -2.624
  157   1HD   LYS  17          2HD       LYS  17  -5.915   1.348  -3.836
  158   2HD   LYS  17          1HD       LYS  17  -5.518   2.220  -2.355
  159   1HE   LYS  17          2HE       LYS  17  -3.945   3.287  -3.514
  160   2HE   LYS  17          1HE       LYS  17  -3.063   1.762  -3.585
  161   1HZ   LYS  17          1HZ       LYS  17  -4.609   1.341  -5.614
  162   2HZ   LYS  17          2HZ       LYS  17  -3.232   2.308  -5.788
  163   3HZ   LYS  17          3HZ       LYS  17  -4.754   3.027  -5.627
  164    H    GLY  18           H        GLY  18  -1.597  -0.663  -0.652
  165   1HA   GLY  18          2HA       GLY  18  -0.879   0.496   1.850
  166   2HA   GLY  18          1HA       GLY  18  -0.553  -1.226   1.863
  167    H    GLY  19           H        GLY  19   1.110  -2.068   0.494
  168   1HA   GLY  19          2HA       GLY  19   3.142  -2.031  -0.652
  169   2HA   GLY  19          1HA       GLY  19   2.674  -0.467  -1.286
  170    H    ARG  20           H        ARG  20   5.328  -1.201  -0.587
  171    HA   ARG  20           HA       ARG  20   6.705   0.702   0.300
  172   1HB   ARG  20          2HB       ARG  20   5.218   1.456   2.021
  173   2HB   ARG  20          1HB       ARG  20   5.226  -0.118   2.803
  174   1HG   ARG  20          2HG       ARG  20   7.865   1.126   2.526
  175   2HG   ARG  20          1HG       ARG  20   6.733   2.007   3.554
  176   1HD   ARG  20          2HD       ARG  20   6.481  -0.714   4.229
  177   2HD   ARG  20          1HD       ARG  20   8.208  -0.388   4.106
  178    HE   ARG  20           HE       ARG  20   7.046   1.665   5.597
  179   1HH1  ARG  20          1HH1      ARG  20   7.630  -1.766   5.853
  180   2HH1  ARG  20          2HH1      ARG  20   7.736  -1.746   7.581
  181   1HH2  ARG  20          1HH2      ARG  20   7.186   1.691   7.872
  182   2HH2  ARG  20          2HH2      ARG  20   7.485   0.214   8.726
  183    H    MET  21           H        MET  21   8.123  -0.830  -0.607
  184    HA   MET  21           HA       MET  21   8.986  -3.044   1.087
  185   1HB   MET  21          2HB       MET  21  10.605  -3.387  -0.948
  186   2HB   MET  21          1HB       MET  21   8.921  -3.873  -1.052
  187   1HG   MET  21          2HG       MET  21   9.591  -1.123  -1.918
  188   2HG   MET  21          1HG       MET  21  10.141  -2.452  -2.934
  189   1HE   MET  21          1HE       MET  21   6.832  -0.721  -4.459
  190   2HE   MET  21          2HE       MET  21   8.569  -0.483  -4.262
  191   3HE   MET  21          3HE       MET  21   7.455   0.081  -3.017
  192    H    LEU  22           H        LEU  22  10.391  -0.232  -0.465
  193    HA   LEU  22           HA       LEU  22  12.302   0.987  -0.101
  194   1HB   LEU  22          2HB       LEU  22  11.113   1.607   1.886
  195   2HB   LEU  22          1HB       LEU  22  11.644   0.157   2.716
  196    HG   LEU  22           HG       LEU  22  13.909   1.716   1.795
  197   1HD1  LEU  22          1HD1      LEU  22  11.845   3.095   3.489
  198   2HD1  LEU  22          2HD1      LEU  22  12.611   3.668   2.007
  199   3HD1  LEU  22          3HD1      LEU  22  13.549   3.550   3.495
  200   1HD2  LEU  22          1HD2      LEU  22  14.648   0.464   3.490
  201   2HD2  LEU  22          2HD2      LEU  22  13.021   0.213   4.123
  202   3HD2  LEU  22          3HD2      LEU  22  13.920   1.667   4.555
  203    HA   PRO  23           HA       PRO  23  15.469  -2.364   0.380
  204   1HB   PRO  23          2HB       PRO  23  15.865  -3.013  -2.167
  205   2HB   PRO  23          1HB       PRO  23  14.415  -3.559  -1.318
  206   1HG   PRO  23          2HG       PRO  23  14.689  -1.502  -3.421
  207   2HG   PRO  23          1HG       PRO  23  13.269  -2.450  -2.957
  208   1HD   PRO  23          2HD       PRO  23  14.002   0.243  -2.146
  209   2HD   PRO  23          1HD       PRO  23  12.499  -0.645  -1.811
  210    H    GLN  24           H        GLN  24  16.240   0.293   0.696
  211    HA   GLN  24           HA       GLN  24  18.198   0.912  -1.370
  212   1HB   GLN  24          2HB       GLN  24  17.611   2.993  -0.847
  213   2HB   GLN  24          1HB       GLN  24  16.662   2.415   0.509
  214   1HG   GLN  24          2HG       GLN  24  19.618   2.939   0.670
  215   2HG   GLN  24          1HG       GLN  24  18.391   4.147   1.038
  216   1HE2  GLN  24          1HE2      GLN  24  20.483   2.468   2.582
  217   2HE2  GLN  24          2HE2      GLN  24  19.605   1.950   3.976
  218    H    LEU  25           H        LEU  25  18.262  -0.930   1.430
  219    HA   LEU  25           HA       LEU  25  20.525  -0.240   2.796
  220   1HB   LEU  25          2HB       LEU  25  18.893  -2.473   2.731
  221   2HB   LEU  25          1HB       LEU  25  20.464  -3.116   2.375
  222    HG   LEU  25           HG       LEU  25  20.560  -3.321   4.607
  223   1HD1  LEU  25          1HD1      LEU  25  22.251  -1.570   3.882
  224   2HD1  LEU  25          2HD1      LEU  25  21.899  -1.693   5.605
  225   3HD1  LEU  25          3HD1      LEU  25  21.191  -0.389   4.653
  226   1HD2  LEU  25          1HD2      LEU  25  18.228  -2.480   4.888
  227   2HD2  LEU  25          2HD2      LEU  25  18.890  -0.850   5.015
  228   3HD2  LEU  25          3HD2      LEU  25  19.311  -2.066   6.219
  229    H    VAL  26           H        VAL  26  20.804  -3.030   0.634
  230    HA   VAL  26           HA       VAL  26  23.511  -3.066   0.479
  231    HB   VAL  26           HB       VAL  26  23.183  -4.107  -1.866
  232   1HG1  VAL  26          1HG1      VAL  26  22.336  -5.101   0.789
  233   2HG1  VAL  26          2HG1      VAL  26  23.586  -5.696  -0.303
  234   3HG1  VAL  26          3HG1      VAL  26  21.892  -6.078  -0.611
  235   1HG2  VAL  26          1HG2      VAL  26  20.763  -2.938  -1.782
  236   2HG2  VAL  26          2HG2      VAL  26  20.353  -4.527  -1.134
  237   3HG2  VAL  26          3HG2      VAL  26  21.110  -4.390  -2.721
  238    H    CYS  27           H        CYS  27  21.393  -0.928  -1.270
  239    HA   CYS  27           HA       CYS  27  23.033  -0.163  -3.371
  240   1HB   CYS  27          2HB       CYS  27  20.706   0.531  -3.205
  241   2HB   CYS  27          1HB       CYS  27  21.083   1.530  -1.805
  242    HG   CYS  27           HG       CYS  27  22.759   2.669  -3.854
  243    H    ARG  28           H        ARG  28  22.561   1.907  -0.505
  244    HA   ARG  28           HA       ARG  28  25.198   3.051  -0.979
  245   1HB   ARG  28          2HB       ARG  28  24.504   4.905   0.173
  246   2HB   ARG  28          1HB       ARG  28  22.965   4.303  -0.413
  247   1HG   ARG  28          2HG       ARG  28  22.435   4.758   1.757
  248   2HG   ARG  28          1HG       ARG  28  22.906   3.066   1.896
  249   1HD   ARG  28          2HD       ARG  28  23.819   4.798   3.603
  250   2HD   ARG  28          1HD       ARG  28  24.897   3.572   2.952
  251    HE   ARG  28           HE       ARG  28  24.825   6.206   1.671
  252   1HH1  ARG  28          1HH1      ARG  28  26.545   3.899   3.658
  253   2HH1  ARG  28          2HH1      ARG  28  28.073   4.686   3.461
  254   1HH2  ARG  28          1HH2      ARG  28  26.843   7.239   1.420
  255   2HH2  ARG  28          2HH2      ARG  28  28.244   6.578   2.196
  256    H    LEU  29           H        LEU  29  24.146   0.452   0.786
  257    HA   LEU  29           HA       LEU  29  25.729   0.941   3.151
  258   1HB   LEU  29          2HB       LEU  29  23.746  -0.293   3.510
  259   2HB   LEU  29          1HB       LEU  29  24.109  -1.397   2.196
  260    HG   LEU  29           HG       LEU  29  26.190  -1.463   4.212
  261   1HD1  LEU  29          1HD1      LEU  29  25.082  -2.110   6.103
  262   2HD1  LEU  29          2HD1      LEU  29  23.622  -2.569   5.227
  263   3HD1  LEU  29          3HD1      LEU  29  23.992  -0.866   5.496
  264   1HD2  LEU  29          1HD2      LEU  29  24.445  -3.787   3.706
  265   2HD2  LEU  29          2HD2      LEU  29  26.203  -3.661   3.687
  266   3HD2  LEU  29          3HD2      LEU  29  25.265  -3.108   2.300
  267    H    VAL  30           H        VAL  30  26.055  -1.031   0.208
  268    HA   VAL  30           HA       VAL  30  28.330  -2.381   1.247
  269    HB   VAL  30           HB       VAL  30  26.933  -3.507  -0.343
  270   1HG1  VAL  30          1HG1      VAL  30  27.792  -2.015  -2.717
  271   2HG1  VAL  30          2HG1      VAL  30  26.686  -1.150  -1.647
  272   3HG1  VAL  30          3HG1      VAL  30  26.230  -2.719  -2.306
  273   1HG2  VAL  30          1HG2      VAL  30  28.635  -4.321  -1.912
  274   2HG2  VAL  30          2HG2      VAL  30  29.286  -4.148  -0.281
  275   3HG2  VAL  30          3HG2      VAL  30  29.660  -2.943  -1.513
  276    H    LEU  31           H        LEU  31  28.479  -0.649  -1.803
  277    HA   LEU  31           HA       LEU  31  30.366   0.275  -2.781
  278   1HB   LEU  31          2HB       LEU  31  28.653   1.991  -1.779
  279   2HB   LEU  31          1HB       LEU  31  29.954   2.343  -0.658
  280    HG   LEU  31           HG       LEU  31  29.753   3.864  -2.669
  281   1HD1  LEU  31          1HD1      LEU  31  32.420   2.499  -2.484
  282   2HD1  LEU  31          2HD1      LEU  31  31.796   3.561  -1.222
  283   3HD1  LEU  31          3HD1      LEU  31  32.075   4.190  -2.845
  284   1HD2  LEU  31          1HD2      LEU  31  29.428   1.760  -4.188
  285   2HD2  LEU  31          2HD2      LEU  31  31.191   1.781  -4.240
  286   3HD2  LEU  31          3HD2      LEU  31  30.275   3.184  -4.790
  287    H    ARG  32           H        ARG  32  31.337  -1.608  -1.287
  288    HA   ARG  32           HA       ARG  32  33.174  -0.663   0.682
  289   1HB   ARG  32          2HB       ARG  32  32.171  -2.976   0.586
  290   2HB   ARG  32          1HB       ARG  32  33.256  -3.311  -0.759
  291   1HG   ARG  32          2HG       ARG  32  34.278  -4.172   1.178
  292   2HG   ARG  32          1HG       ARG  32  35.149  -2.698   0.755
  293   1HD   ARG  32          2HD       ARG  32  33.679  -1.487   2.396
  294   2HD   ARG  32          1HD       ARG  32  33.092  -3.062   2.922
  295    HE   ARG  32           HE       ARG  32  35.012  -3.301   4.133
  296   1HH1  ARG  32          1HH1      ARG  32  35.599  -0.970   1.606
  297   2HH1  ARG  32          2HH1      ARG  32  37.212  -0.620   2.128
  298   1HH2  ARG  32          1HH2      ARG  32  37.143  -2.850   4.817
  299   2HH2  ARG  32          2HH2      ARG  32  38.090  -1.689   3.947
  300    H    CYS  33           H        CYS  33  33.325  -1.411  -2.741
  301    HA   CYS  33           HA       CYS  33  34.848  -0.887  -4.353
  302   1HB   CYS  33          2HB       CYS  33  35.669   0.895  -2.137
  303   2HB   CYS  33          1HB       CYS  33  36.887   0.573  -3.357
  304    HG   CYS  33           HG       CYS  33  35.776   2.503  -4.437
  305    H    SER  34           H        SER  34  36.465  -1.329  -1.295
  306    HA   SER  34           HA       SER  34  37.614  -3.802  -1.935
  307   1HB   SER  34          2HB       SER  34  39.963  -3.190  -2.176
  308   2HB   SER  34          1HB       SER  34  39.012  -2.407  -3.438
  309    HG   SER  34           HG       SER  34  40.650  -1.177  -1.994
  Start of MODEL    3
    1   1H    CYS   1          1HT       CYS   1 -37.573  -1.136  -1.262
    2   2H    CYS   1          2HT       CYS   1 -39.184  -0.556  -1.147
    3   3H    CYS   1          3HT       CYS   1 -38.083  -0.300   0.144
    4    HA   CYS   1           HA       CYS   1 -38.117   0.919  -2.523
    5   1HB   CYS   1          2HB       CYS   1 -38.640   1.715   0.283
    6   2HB   CYS   1          1HB       CYS   1 -37.758   2.886  -0.692
    7    HG   CYS   1           HG       CYS   1 -40.714   2.195  -0.966
    8    H    TRP   2           H        TRP   2 -36.171   0.349   0.384
    9    HA   TRP   2           HA       TRP   2 -33.912   1.840  -0.226
   10   1HB   TRP   2          2HB       TRP   2 -32.698  -0.181   0.979
   11   2HB   TRP   2          1HB       TRP   2 -33.708   0.931   1.867
   12    HD1  TRP   2           HD       TRP   2 -35.948  -0.045   2.931
   13    HE1  TRP   2           1HE      TRP   2 -36.868  -2.444   3.168
   14    HE3  TRP   2           3HE      TRP   2 -32.758  -2.440  -0.247
   15    HZ2  TRP   2           2HZ      TRP   2 -36.298  -5.023   2.127
   16    HZ3  TRP   2           3HZ      TRP   2 -32.993  -4.859  -0.581
   17    HH2  TRP   2           HH       TRP   2 -34.732  -6.129   0.587
   18    H    LEU   3           H        LEU   3 -31.735   0.752  -0.557
   19    HA   LEU   3           HA       LEU   3 -31.234  -1.461  -1.996
   20   1HB   LEU   3          2HB       LEU   3 -32.773  -0.052  -3.663
   21   2HB   LEU   3          1HB       LEU   3 -31.229   0.663  -4.066
   22    HG   LEU   3           HG       LEU   3 -30.923  -2.169  -3.988
   23   1HD1  LEU   3          1HD1      LEU   3 -32.606  -3.046  -5.193
   24   2HD1  LEU   3          2HD1      LEU   3 -32.750  -1.619  -6.220
   25   3HD1  LEU   3          3HD1      LEU   3 -33.516  -1.643  -4.632
   26   1HD2  LEU   3          1HD2      LEU   3 -29.778  -0.174  -5.277
   27   2HD2  LEU   3          2HD2      LEU   3 -30.944  -0.623  -6.524
   28   3HD2  LEU   3          3HD2      LEU   3 -29.788  -1.815  -5.930
   29    H    CYS   4           H        CYS   4 -30.596   1.955  -1.825
   30    HA   CYS   4           HA       CYS   4 -28.031   2.238  -2.678
   31   1HB   CYS   4          2HB       CYS   4 -29.769   3.598  -0.821
   32   2HB   CYS   4          1HB       CYS   4 -28.100   3.675  -0.280
   33    HG   CYS   4           HG       CYS   4 -29.231   5.018  -2.805
   34    H    ARG   5           H        ARG   5 -29.057   0.372   0.009
   35    HA   ARG   5           HA       ARG   5 -26.755   0.385   1.601
   36   1HB   ARG   5          2HB       ARG   5 -28.810  -0.559   2.410
   37   2HB   ARG   5          1HB       ARG   5 -28.837  -1.741   1.112
   38   1HG   ARG   5          2HG       ARG   5 -26.742  -2.715   2.094
   39   2HG   ARG   5          1HG       ARG   5 -26.996  -1.652   3.483
   40   1HD   ARG   5          2HD       ARG   5 -28.768  -3.869   2.486
   41   2HD   ARG   5          1HD       ARG   5 -27.972  -3.736   4.053
   42    HE   ARG   5           HE       ARG   5 -29.549  -1.606   4.124
   43   1HH1  ARG   5          1HH1      ARG   5 -30.284  -4.854   3.060
   44   2HH1  ARG   5          2HH1      ARG   5 -31.939  -4.772   3.558
   45   1HH2  ARG   5          1HH2      ARG   5 -31.729  -1.506   4.774
   46   2HH2  ARG   5          2HH2      ARG   5 -32.759  -2.878   4.530
   47    H    ALA   6           H        ALA   6 -27.200  -0.930  -1.519
   48    HA   ALA   6           HA       ALA   6 -25.137  -2.928  -1.279
   49   1HB   ALA   6          1HB       ALA   6 -26.211  -1.925  -3.884
   50   2HB   ALA   6          2HB       ALA   6 -27.197  -2.951  -2.838
   51   3HB   ALA   6          3HB       ALA   6 -25.652  -3.542  -3.455
   52    H    LEU   7           H        LEU   7 -25.435   0.350  -2.573
   53    HA   LEU   7           HA       LEU   7 -22.891   0.421  -3.790
   54   1HB   LEU   7          2HB       LEU   7 -23.528   3.053  -2.971
   55   2HB   LEU   7          1HB       LEU   7 -23.609   2.366  -4.577
   56    HG   LEU   7           HG       LEU   7 -25.852   2.225  -2.585
   57   1HD1  LEU   7          1HD1      LEU   7 -25.827   4.479  -2.962
   58   2HD1  LEU   7          2HD1      LEU   7 -26.804   3.949  -4.332
   59   3HD1  LEU   7          3HD1      LEU   7 -25.093   4.315  -4.557
   60   1HD2  LEU   7          1HD2      LEU   7 -26.778   0.822  -4.048
   61   2HD2  LEU   7          2HD2      LEU   7 -25.376   0.965  -5.107
   62   3HD2  LEU   7          3HD2      LEU   7 -26.724   2.090  -5.272
   63    H    ILE   8           H        ILE   8 -24.008   0.879  -0.537
   64    HA   ILE   8           HA       ILE   8 -21.607   2.135   0.283
   65    HB   ILE   8           HB       ILE   8 -22.424   1.436   2.658
   66   1HG1  ILE   8          2HG1      ILE   8 -25.158   1.454   1.609
   67   2HG1  ILE   8          1HG1      ILE   8 -24.250   0.014   1.168
   68   1HG2  ILE   8          1HG2      ILE   8 -24.291   3.315   1.309
   69   2HG2  ILE   8          2HG2      ILE   8 -22.565   3.678   1.285
   70   3HG2  ILE   8          3HG2      ILE   8 -23.405   3.492   2.824
   71   1HD1  ILE   8          1HD1      ILE   8 -25.637   0.038   3.351
   72   2HD1  ILE   8          2HD1      ILE   8 -24.270   0.947   3.997
   73   3HD1  ILE   8          3HD1      ILE   8 -24.024  -0.675   3.352
   74    H    LYS   9           H        LYS   9 -22.814  -1.201   0.562
   75    HA   LYS   9           HA       LYS   9 -20.570  -2.156   1.979
   76   1HB   LYS   9          2HB       LYS   9 -21.393  -4.314   1.623
   77   2HB   LYS   9          1HB       LYS   9 -22.838  -3.318   1.571
   78   1HG   LYS   9          2HG       LYS   9 -22.264  -3.309  -1.023
   79   2HG   LYS   9          1HG       LYS   9 -21.493  -4.834  -0.585
   80   1HD   LYS   9          2HD       LYS   9 -23.564  -5.668   0.332
   81   2HD   LYS   9          1HD       LYS   9 -24.349  -4.110   0.064
   82   1HE   LYS   9          2HE       LYS   9 -24.142  -4.365  -2.326
   83   2HE   LYS   9          1HE       LYS   9 -23.207  -5.847  -2.123
   84   1HZ   LYS   9          1HZ       LYS   9 -26.084  -5.401  -1.796
   85   2HZ   LYS   9          2HZ       LYS   9 -25.346  -6.568  -0.818
   86   3HZ   LYS   9          3HZ       LYS   9 -25.267  -6.705  -2.501
   87    H    ARG  10           H        ARG  10 -20.958  -1.212  -1.249
   88    HA   ARG  10           HA       ARG  10 -18.897  -2.786  -2.410
   89   1HB   ARG  10          2HB       ARG  10 -20.423  -0.346  -3.239
   90   2HB   ARG  10          1HB       ARG  10 -18.968  -0.792  -4.125
   91   1HG   ARG  10          2HG       ARG  10 -20.003  -2.451  -5.184
   92   2HG   ARG  10          1HG       ARG  10 -20.721  -3.049  -3.688
   93   1HD   ARG  10          2HD       ARG  10 -22.224  -0.918  -3.988
   94   2HD   ARG  10          1HD       ARG  10 -21.805  -1.139  -5.681
   95    HE   ARG  10           HE       ARG  10 -23.301  -3.022  -3.994
   96   1HH1  ARG  10          1HH1      ARG  10 -22.165  -2.071  -7.164
   97   2HH1  ARG  10          2HH1      ARG  10 -23.237  -3.142  -7.996
   98   1HH2  ARG  10          1HH2      ARG  10 -24.704  -4.419  -5.100
   99   2HH2  ARG  10          2HH2      ARG  10 -24.670  -4.473  -6.830
  100    H    ILE  11           H        ILE  11 -19.081   0.568  -1.235
  101    HA   ILE  11           HA       ILE  11 -16.407   1.245  -1.613
  102    HB   ILE  11           HB       ILE  11 -18.205   2.042   0.683
  103   1HG1  ILE  11          2HG1      ILE  11 -17.688   4.014  -1.406
  104   2HG1  ILE  11          1HG1      ILE  11 -18.479   2.570  -2.030
  105   1HG2  ILE  11          1HG2      ILE  11 -16.238   4.006  -0.077
  106   2HG2  ILE  11          2HG2      ILE  11 -15.462   2.490   0.383
  107   3HG2  ILE  11          3HG2      ILE  11 -16.562   3.294   1.503
  108   1HD1  ILE  11          1HD1      ILE  11 -20.364   3.568  -1.412
  109   2HD1  ILE  11          2HD1      ILE  11 -19.526   4.702  -0.352
  110   3HD1  ILE  11          3HD1      ILE  11 -19.920   3.083   0.224
  111    H    GLN  12           H        GLN  12 -18.049  -0.666   0.778
  112    HA   GLN  12           HA       GLN  12 -16.090  -0.966   2.729
  113   1HB   GLN  12          2HB       GLN  12 -17.720  -2.215   3.602
  114   2HB   GLN  12          1HB       GLN  12 -18.595  -2.092   2.085
  115   1HG   GLN  12          2HG       GLN  12 -18.491  -4.374   2.499
  116   2HG   GLN  12          1HG       GLN  12 -17.208  -4.097   1.323
  117   1HE2  GLN  12          1HE2      GLN  12 -15.432  -5.170   1.753
  118   2HE2  GLN  12          2HE2      GLN  12 -14.825  -5.562   3.323
  119    H    ALA  13           H        ALA  13 -16.471  -2.615  -0.360
  120    HA   ALA  13           HA       ALA  13 -14.230  -4.381   0.177
  121   1HB   ALA  13          1HB       ALA  13 -14.863  -5.582  -1.686
  122   2HB   ALA  13          2HB       ALA  13 -15.573  -4.175  -2.478
  123   3HB   ALA  13          3HB       ALA  13 -16.397  -4.926  -1.112
  124    H    MET  14           H        MET  14 -14.609  -1.324  -1.364
  125    HA   MET  14           HA       MET  14 -12.200  -1.654  -2.955
  126   1HB   MET  14          2HB       MET  14 -12.685   0.654  -3.773
  127   2HB   MET  14          1HB       MET  14 -13.947  -0.528  -4.098
  128   1HG   MET  14          2HG       MET  14 -15.140   1.292  -3.395
  129   2HG   MET  14          1HG       MET  14 -14.990   0.342  -1.917
  130   1HE   MET  14          1HE       MET  14 -15.759   3.481  -1.949
  131   2HE   MET  14          2HE       MET  14 -14.825   3.657  -3.434
  132   3HE   MET  14          3HE       MET  14 -14.391   4.592  -2.004
  133    H    ILE  15           H        ILE  15 -12.643  -1.013   0.174
  134    HA   ILE  15           HA       ILE  15 -10.867   1.147   0.374
  135    HB   ILE  15           HB       ILE  15 -11.088   0.662   2.971
  136   1HG1  ILE  15          2HG1      ILE  15 -13.801  -0.214   2.361
  137   2HG1  ILE  15          1HG1      ILE  15 -12.595  -1.392   1.856
  138   1HG2  ILE  15          1HG2      ILE  15 -12.511   2.417   3.018
  139   2HG2  ILE  15          2HG2      ILE  15 -13.567   1.735   1.779
  140   3HG2  ILE  15          3HG2      ILE  15 -12.056   2.518   1.316
  141   1HD1  ILE  15          1HD1      ILE  15 -12.432  -0.235   4.588
  142   2HD1  ILE  15          2HD1      ILE  15 -11.896  -1.804   3.987
  143   3HD1  ILE  15          3HD1      ILE  15 -13.614  -1.496   4.235
  144    HA   PRO  16           HA       PRO  16  -7.603  -2.046   1.694
  145   1HB   PRO  16          2HB       PRO  16  -7.020  -3.357  -0.661
  146   2HB   PRO  16          1HB       PRO  16  -8.085  -3.970   0.605
  147   1HG   PRO  16          2HG       PRO  16  -8.765  -2.981  -2.049
  148   2HG   PRO  16          1HG       PRO  16  -9.781  -3.855  -0.894
  149   1HD   PRO  16          2HD       PRO  16  -9.732  -0.995  -1.458
  150   2HD   PRO  16          1HD       PRO  16 -10.843  -1.869  -0.418
  151    H    LYS  17           H        LYS  17  -5.297  -2.071   1.170
  152    HA   LYS  17           HA       LYS  17  -3.796  -1.148  -0.842
  153   1HB   LYS  17          2HB       LYS  17  -5.285   1.136   0.304
  154   2HB   LYS  17          1HB       LYS  17  -3.559   1.402   0.114
  155   1HG   LYS  17          2HG       LYS  17  -3.673   1.025  -2.233
  156   2HG   LYS  17          1HG       LYS  17  -5.333   0.442  -2.120
  157   1HD   LYS  17          2HD       LYS  17  -5.922   2.537  -2.645
  158   2HD   LYS  17          1HD       LYS  17  -5.500   2.928  -0.978
  159   1HE   LYS  17          2HE       LYS  17  -4.400   4.494  -2.413
  160   2HE   LYS  17          1HE       LYS  17  -3.183   3.408  -1.744
  161   1HZ   LYS  17          1HZ       LYS  17  -2.774   2.476  -3.752
  162   2HZ   LYS  17          2HZ       LYS  17  -3.292   3.987  -4.305
  163   3HZ   LYS  17          3HZ       LYS  17  -4.358   2.674  -4.314
  164    H    GLY  18           H        GLY  18  -1.607  -0.264  -0.221
  165   1HA   GLY  18          2HA       GLY  18  -0.907  -0.089   2.544
  166   2HA   GLY  18          1HA       GLY  18  -0.540  -1.681   1.910
  167    H    GLY  19           H        GLY  19   1.134  -1.926   0.381
  168   1HA   GLY  19          2HA       GLY  19   3.198  -1.469  -0.576
  169   2HA   GLY  19          1HA       GLY  19   2.641   0.185  -0.758
  170    H    ARG  20           H        ARG  20   5.316  -0.637  -0.191
  171    HA   ARG  20           HA       ARG  20   6.577   1.036   1.231
  172   1HB   ARG  20          2HB       ARG  20   5.083   1.240   3.064
  173   2HB   ARG  20          1HB       ARG  20   5.041  -0.498   3.323
  174   1HG   ARG  20          2HG       ARG  20   7.727   0.570   3.552
  175   2HG   ARG  20          1HG       ARG  20   6.604   1.342   4.672
  176   1HD   ARG  20          2HD       ARG  20   6.634  -0.446   5.989
  177   2HD   ARG  20          1HD       ARG  20   6.123  -1.475   4.653
  178    HE   ARG  20           HE       ARG  20   8.795  -1.115   4.243
  179   1HH1  ARG  20          1HH1      ARG  20   6.856  -2.297   6.892
  180   2HH1  ARG  20          2HH1      ARG  20   8.089  -3.355   7.488
  181   1HH2  ARG  20          1HH2      ARG  20  10.422  -2.516   5.030
  182   2HH2  ARG  20          2HH2      ARG  20  10.110  -3.477   6.436
  183    H    MET  21           H        MET  21   8.075  -0.160  -0.054
  184    HA   MET  21           HA       MET  21   9.084  -2.644   1.117
  185   1HB   MET  21          2HB       MET  21  10.638  -2.463  -1.001
  186   2HB   MET  21          1HB       MET  21   8.988  -3.051  -1.134
  187   1HG   MET  21          2HG       MET  21   9.443  -0.142  -1.475
  188   2HG   MET  21          1HG       MET  21   9.983  -1.217  -2.762
  189   1HE   MET  21          1HE       MET  21   7.049   0.579  -4.053
  190   2HE   MET  21          2HE       MET  21   8.243   1.083  -2.856
  191   3HE   MET  21          3HE       MET  21   6.546   0.931  -2.400
  192    H    LEU  22           H        LEU  22  10.272   0.491   0.074
  193    HA   LEU  22           HA       LEU  22  12.237   1.630   0.482
  194   1HB   LEU  22          2HB       LEU  22  10.900   2.225   2.372
  195   2HB   LEU  22          1HB       LEU  22  11.329   0.747   3.210
  196    HG   LEU  22           HG       LEU  22  13.720   2.229   2.601
  197   1HD1  LEU  22          1HD1      LEU  22  11.652   3.740   4.192
  198   2HD1  LEU  22          2HD1      LEU  22  12.232   4.182   2.588
  199   3HD1  LEU  22          3HD1      LEU  22  13.339   4.201   3.958
  200   1HD2  LEU  22          1HD2      LEU  22  14.288   1.610   4.703
  201   2HD2  LEU  22          2HD2      LEU  22  12.936   0.499   4.488
  202   3HD2  LEU  22          3HD2      LEU  22  12.703   2.008   5.369
  203    HA   PRO  23           HA       PRO  23  15.267  -1.800   1.294
  204   1HB   PRO  23          2HB       PRO  23  15.424  -3.077  -1.016
  205   2HB   PRO  23          1HB       PRO  23  13.988  -3.269  -0.001
  206   1HG   PRO  23          2HG       PRO  23  14.309  -1.769  -2.540
  207   2HG   PRO  23          1HG       PRO  23  12.854  -2.498  -1.843
  208   1HD   PRO  23          2HD       PRO  23  13.769   0.254  -1.657
  209   2HD   PRO  23          1HD       PRO  23  12.240  -0.444  -1.077
  210    H    GLN  24           H        GLN  24  16.121   0.889   0.770
  211    HA   GLN  24           HA       GLN  24  17.947   0.775  -1.488
  212   1HB   GLN  24          2HB       GLN  24  18.316   3.113  -1.141
  213   2HB   GLN  24          1HB       GLN  24  16.590   2.791  -1.051
  214   1HG   GLN  24          2HG       GLN  24  16.808   4.151   0.751
  215   2HG   GLN  24          1HG       GLN  24  17.122   2.602   1.531
  216   1HE2  GLN  24          1HE2      GLN  24  18.120   4.240   3.056
  217   2HE2  GLN  24          2HE2      GLN  24  19.794   4.592   2.817
  218    H    LEU  25           H        LEU  25  18.211   1.019   1.996
  219    HA   LEU  25           HA       LEU  25  20.633   1.757   2.648
  220   1HB   LEU  25          2HB       LEU  25  18.813  -0.069   3.780
  221   2HB   LEU  25          1HB       LEU  25  20.397  -0.802   3.900
  222    HG   LEU  25           HG       LEU  25  21.262   1.092   5.113
  223   1HD1  LEU  25          1HD1      LEU  25  19.411   2.807   5.848
  224   2HD1  LEU  25          2HD1      LEU  25  18.685   2.337   4.311
  225   3HD1  LEU  25          3HD1      LEU  25  20.311   3.017   4.347
  226   1HD2  LEU  25          1HD2      LEU  25  19.484  -0.719   6.091
  227   2HD2  LEU  25          2HD2      LEU  25  18.758   0.806   6.599
  228   3HD2  LEU  25          3HD2      LEU  25  20.413   0.418   7.069
  229    H    VAL  26           H        VAL  26  20.336  -1.716   2.038
  230    HA   VAL  26           HA       VAL  26  22.902  -2.464   2.051
  231    HB   VAL  26           HB       VAL  26  21.614  -3.666  -0.293
  232   1HG1  VAL  26          1HG1      VAL  26  23.561  -4.410   1.347
  233   2HG1  VAL  26          2HG1      VAL  26  22.517  -5.583   0.545
  234   3HG1  VAL  26          3HG1      VAL  26  22.208  -5.129   2.221
  235   1HG2  VAL  26          1HG2      VAL  26  19.565  -3.139   0.831
  236   2HG2  VAL  26          2HG2      VAL  26  20.213  -3.684   2.378
  237   3HG2  VAL  26          3HG2      VAL  26  19.902  -4.851   1.092
  238    H    CYS  27           H        CYS  27  21.509  -1.905  -1.189
  239    HA   CYS  27           HA       CYS  27  23.759  -1.841  -2.670
  240   1HB   CYS  27          2HB       CYS  27  21.307  -1.438  -3.372
  241   2HB   CYS  27          1HB       CYS  27  21.678   0.269  -3.150
  242    HG   CYS  27           HG       CYS  27  23.711  -0.898  -4.989
  243    H    ARG  28           H        ARG  28  22.724   0.702  -0.500
  244    HA   ARG  28           HA       ARG  28  24.388   2.755  -1.474
  245   1HB   ARG  28          2HB       ARG  28  22.439   2.972   0.113
  246   2HB   ARG  28          1HB       ARG  28  23.515   2.412   1.387
  247   1HG   ARG  28          2HG       ARG  28  25.010   4.316   0.909
  248   2HG   ARG  28          1HG       ARG  28  23.839   4.900  -0.274
  249   1HD   ARG  28          2HD       ARG  28  22.489   5.729   1.309
  250   2HD   ARG  28          1HD       ARG  28  22.673   4.307   2.335
  251    HE   ARG  28           HE       ARG  28  24.867   6.233   2.233
  252   1HH1  ARG  28          1HH1      ARG  28  22.184   4.862   4.007
  253   2HH1  ARG  28          2HH1      ARG  28  22.720   5.479   5.532
  254   1HH2  ARG  28          1HH2      ARG  28  25.567   7.040   4.233
  255   2HH2  ARG  28          2HH2      ARG  28  24.638   6.723   5.660
  256    H    LEU  29           H        LEU  29  24.894   0.950   1.574
  257    HA   LEU  29           HA       LEU  29  27.695   1.732   1.547
  258   1HB   LEU  29          2HB       LEU  29  26.403   0.026   3.640
  259   2HB   LEU  29          1HB       LEU  29  27.772   1.112   3.796
  260    HG   LEU  29           HG       LEU  29  24.890   1.922   3.418
  261   1HD1  LEU  29          1HD1      LEU  29  26.747   1.867   5.765
  262   2HD1  LEU  29          2HD1      LEU  29  25.089   1.280   5.641
  263   3HD1  LEU  29          3HD1      LEU  29  25.409   3.013   5.693
  264   1HD2  LEU  29          1HD2      LEU  29  27.376   3.604   3.692
  265   2HD2  LEU  29          2HD2      LEU  29  25.721   4.215   3.727
  266   3HD2  LEU  29          3HD2      LEU  29  26.354   3.463   2.261
  267    H    VAL  30           H        VAL  30  26.174  -0.807   0.148
  268    HA   VAL  30           HA       VAL  30  27.837  -2.968   0.989
  269    HB   VAL  30           HB       VAL  30  25.504  -3.065  -0.109
  270   1HG1  VAL  30          1HG1      VAL  30  26.640  -1.799  -2.156
  271   2HG1  VAL  30          2HG1      VAL  30  25.298  -2.924  -2.378
  272   3HG1  VAL  30          3HG1      VAL  30  26.953  -3.455  -2.671
  273   1HG2  VAL  30          1HG2      VAL  30  25.831  -5.294  -0.405
  274   2HG2  VAL  30          2HG2      VAL  30  27.360  -4.918   0.388
  275   3HG2  VAL  30          3HG2      VAL  30  27.292  -5.066  -1.367
  276    H    LEU  31           H        LEU  31  28.736  -0.329  -0.763
  277    HA   LEU  31           HA       LEU  31  30.687  -1.876  -2.325
  278   1HB   LEU  31          2HB       LEU  31  28.927  -0.539  -3.618
  279   2HB   LEU  31          1HB       LEU  31  29.739   0.897  -3.035
  280    HG   LEU  31           HG       LEU  31  30.267  -0.181  -5.410
  281   1HD1  LEU  31          1HD1      LEU  31  32.690   0.756  -4.008
  282   2HD1  LEU  31          2HD1      LEU  31  31.287   1.825  -3.975
  283   3HD1  LEU  31          3HD1      LEU  31  31.962   1.304  -5.518
  284   1HD2  LEU  31          1HD2      LEU  31  30.995  -2.332  -4.335
  285   2HD2  LEU  31          2HD2      LEU  31  32.375  -1.453  -3.677
  286   3HD2  LEU  31          3HD2      LEU  31  32.174  -1.599  -5.423
  287    H    ARG  32           H        ARG  32  31.280  -1.439   0.188
  288    HA   ARG  32           HA       ARG  32  32.384   0.850   1.121
  289   1HB   ARG  32          2HB       ARG  32  32.284  -1.297   2.345
  290   2HB   ARG  32          1HB       ARG  32  33.603  -1.904   1.354
  291   1HG   ARG  32          2HG       ARG  32  34.216  -1.075   3.648
  292   2HG   ARG  32          1HG       ARG  32  35.142  -0.411   2.301
  293   1HD   ARG  32          2HD       ARG  32  33.781   1.600   2.324
  294   2HD   ARG  32          1HD       ARG  32  32.784   0.931   3.614
  295    HE   ARG  32           HE       ARG  32  34.349   1.670   5.091
  296   1HH1  ARG  32          1HH1      ARG  32  35.899   1.275   1.991
  297   2HH1  ARG  32          2HH1      ARG  32  37.447   1.802   2.556
  298   1HH2  ARG  32          1HH2      ARG  32  36.384   2.372   5.838
  299   2HH2  ARG  32          2HH2      ARG  32  37.722   2.430   4.741
  300    H    CYS  33           H        CYS  33  34.315  -1.636  -0.510
  301    HA   CYS  33           HA       CYS  33  35.565  -0.327  -2.499
  302   1HB   CYS  33          2HB       CYS  33  36.460   0.695   0.092
  303   2HB   CYS  33          1HB       CYS  33  37.773   0.159  -0.934
  304    HG   CYS  33           HG       CYS  33  37.545   2.200  -2.264
  305    H    SER  34           H        SER  34  36.376  -1.922   0.474
  306    HA   SER  34           HA       SER  34  37.030  -4.375  -0.667
  307   1HB   SER  34          2HB       SER  34  39.558  -4.264  -0.156
  308   2HB   SER  34          1HB       SER  34  38.984  -3.493  -1.635
  309    HG   SER  34           HG       SER  34  40.461  -2.260  -0.186
  Start of MODEL    4
    1   1H    CYS   1          1HT       CYS   1 -37.852  -1.591  -1.526
    2   2H    CYS   1          2HT       CYS   1 -39.363  -0.818  -1.265
    3   3H    CYS   1          3HT       CYS   1 -38.638  -1.735  -0.009
    4    HA   CYS   1           HA       CYS   1 -37.951   0.898  -1.049
    5   1HB   CYS   1          2HB       CYS   1 -38.187  -0.351   1.698
    6   2HB   CYS   1          1HB       CYS   1 -37.783   1.335   1.393
    7    HG   CYS   1           HG       CYS   1 -40.354   1.015   0.098
    8    H    TRP   2           H        TRP   2 -35.957   1.801   0.069
    9    HA   TRP   2           HA       TRP   2 -33.680   1.899  -0.058
   10   1HB   TRP   2          2HB       TRP   2 -32.530   0.062   1.322
   11   2HB   TRP   2          1HB       TRP   2 -33.603   1.162   2.141
   12    HD1  TRP   2           HD       TRP   2 -35.478   0.052   3.575
   13    HE1  TRP   2           1HE      TRP   2 -36.357  -2.354   3.852
   14    HE3  TRP   2           3HE      TRP   2 -32.875  -2.197  -0.201
   15    HZ2  TRP   2           2HZ      TRP   2 -35.988  -4.879   2.619
   16    HZ3  TRP   2           3HZ      TRP   2 -33.186  -4.596  -0.601
   17    HH2  TRP   2           HH       TRP   2 -34.714  -5.917   0.789
   18    H    LEU   3           H        LEU   3 -31.622   0.680  -0.373
   19    HA   LEU   3           HA       LEU   3 -31.231  -1.696  -1.471
   20   1HB   LEU   3          2HB       LEU   3 -31.190  -1.305  -3.927
   21   2HB   LEU   3          1HB       LEU   3 -32.769  -1.426  -3.205
   22    HG   LEU   3           HG       LEU   3 -31.802   1.324  -3.450
   23   1HD1  LEU   3          1HD1      LEU   3 -31.787  -0.506  -5.762
   24   2HD1  LEU   3          2HD1      LEU   3 -30.879   0.981  -5.482
   25   3HD1  LEU   3          3HD1      LEU   3 -32.563   1.060  -6.002
   26   1HD2  LEU   3          1HD2      LEU   3 -34.307  -0.217  -3.865
   27   2HD2  LEU   3          2HD2      LEU   3 -34.126   1.320  -4.710
   28   3HD2  LEU   3          3HD2      LEU   3 -34.028   1.265  -2.951
   29    H    CYS   4           H        CYS   4 -30.617   1.676  -2.149
   30    HA   CYS   4           HA       CYS   4 -28.109   1.680  -3.215
   31   1HB   CYS   4          2HB       CYS   4 -29.755   3.509  -1.740
   32   2HB   CYS   4          1HB       CYS   4 -28.086   3.677  -1.214
   33    HG   CYS   4           HG       CYS   4 -28.393   5.285  -3.197
   34    H    ARG   5           H        ARG   5 -29.062   0.555  -0.118
   35    HA   ARG   5           HA       ARG   5 -26.695   0.926   1.342
   36   1HB   ARG   5          2HB       ARG   5 -29.095  -0.227   1.880
   37   2HB   ARG   5          1HB       ARG   5 -28.060  -1.647   1.784
   38   1HG   ARG   5          2HG       ARG   5 -27.187  -1.240   3.780
   39   2HG   ARG   5          1HG       ARG   5 -26.802   0.423   3.339
   40   1HD   ARG   5          2HD       ARG   5 -28.422  -0.002   5.308
   41   2HD   ARG   5          1HD       ARG   5 -28.829   1.237   4.122
   42    HE   ARG   5           HE       ARG   5 -29.941  -1.354   3.537
   43   1HH1  ARG   5          1HH1      ARG   5 -30.410   1.664   5.225
   44   2HH1  ARG   5          2HH1      ARG   5 -32.131   1.494   5.308
   45   1HH2  ARG   5          1HH2      ARG   5 -32.207  -1.586   3.661
   46   2HH2  ARG   5          2HH2      ARG   5 -33.150  -0.350   4.425
   47    H    ALA   6           H        ALA   6 -27.169  -0.931  -1.446
   48    HA   ALA   6           HA       ALA   6 -25.214  -2.950  -0.882
   49   1HB   ALA   6          1HB       ALA   6 -27.192  -3.081  -2.524
   50   2HB   ALA   6          2HB       ALA   6 -25.652  -3.791  -3.007
   51   3HB   ALA   6          3HB       ALA   6 -26.131  -2.214  -3.634
   52    H    LEU   7           H        LEU   7 -25.298   0.033  -2.807
   53    HA   LEU   7           HA       LEU   7 -22.664  -0.199  -3.771
   54   1HB   LEU   7          2HB       LEU   7 -23.205   2.543  -3.677
   55   2HB   LEU   7          1HB       LEU   7 -23.347   1.474  -5.057
   56    HG   LEU   7           HG       LEU   7 -25.616   1.888  -3.129
   57   1HD1  LEU   7          1HD1      LEU   7 -25.267   4.068  -3.841
   58   2HD1  LEU   7          2HD1      LEU   7 -26.444   3.447  -4.998
   59   3HD1  LEU   7          3HD1      LEU   7 -24.744   3.561  -5.448
   60   1HD2  LEU   7          1HD2      LEU   7 -26.031   1.343  -5.994
   61   2HD2  LEU   7          2HD2      LEU   7 -26.878   0.708  -4.583
   62   3HD2  LEU   7          3HD2      LEU   7 -25.320   0.029  -5.055
   63    H    ILE   8           H        ILE   8 -23.995   0.915  -0.774
   64    HA   ILE   8           HA       ILE   8 -21.684   2.379  -0.051
   65    HB   ILE   8           HB       ILE   8 -22.502   2.405   2.236
   66   1HG1  ILE   8          2HG1      ILE   8 -24.981   1.207   2.237
   67   2HG1  ILE   8          1HG1      ILE   8 -24.004   0.073   1.322
   68   1HG2  ILE   8          1HG2      ILE   8 -24.945   2.745   0.542
   69   2HG2  ILE   8          2HG2      ILE   8 -23.543   3.794   0.329
   70   3HG2  ILE   8          3HG2      ILE   8 -24.371   3.735   1.886
   71   1HD1  ILE   8          1HD1      ILE   8 -22.395  -0.002   3.175
   72   2HD1  ILE   8          2HD1      ILE   8 -24.007  -0.538   3.645
   73   3HD1  ILE   8          3HD1      ILE   8 -23.445   1.071   4.098
   74    H    LYS   9           H        LYS   9 -22.791  -0.933   0.579
   75    HA   LYS   9           HA       LYS   9 -20.534  -1.661   2.131
   76   1HB   LYS   9          2HB       LYS   9 -21.391  -3.805   2.129
   77   2HB   LYS   9          1HB       LYS   9 -22.837  -2.870   1.794
   78   1HG   LYS   9          2HG       LYS   9 -21.871  -3.390  -0.723
   79   2HG   LYS   9          1HG       LYS   9 -21.464  -4.861   0.164
   80   1HD   LYS   9          2HD       LYS   9 -24.173  -3.824   0.648
   81   2HD   LYS   9          1HD       LYS   9 -23.871  -4.382  -0.997
   82   1HE   LYS   9          2HE       LYS   9 -23.149  -6.537  -0.167
   83   2HE   LYS   9          1HE       LYS   9 -23.331  -5.987   1.499
   84   1HZ   LYS   9          1HZ       LYS   9 -25.394  -6.700  -0.459
   85   2HZ   LYS   9          2HZ       LYS   9 -25.761  -5.527   0.704
   86   3HZ   LYS   9          3HZ       LYS   9 -25.294  -7.079   1.186
   87    H    ARG  10           H        ARG  10 -20.927  -0.991  -1.135
   88    HA   ARG  10           HA       ARG  10 -18.961  -2.686  -2.270
   89   1HB   ARG  10          2HB       ARG  10 -20.584  -0.396  -3.128
   90   2HB   ARG  10          1HB       ARG  10 -18.991  -0.435  -3.868
   91   1HG   ARG  10          2HG       ARG  10 -20.517  -1.538  -5.300
   92   2HG   ARG  10          1HG       ARG  10 -19.460  -2.758  -4.590
   93   1HD   ARG  10          2HD       ARG  10 -21.247  -3.201  -2.902
   94   2HD   ARG  10          1HD       ARG  10 -22.295  -2.109  -3.804
   95    HE   ARG  10           HE       ARG  10 -21.923  -3.698  -5.729
   96   1HH1  ARG  10          1HH1      ARG  10 -21.827  -4.779  -2.396
   97   2HH1  ARG  10          2HH1      ARG  10 -22.297  -6.398  -2.787
   98   1HH2  ARG  10          1HH2      ARG  10 -22.532  -5.829  -6.225
   99   2HH2  ARG  10          2HH2      ARG  10 -22.692  -6.995  -4.953
  100    H    ILE  11           H        ILE  11 -18.953   0.718  -1.233
  101    HA   ILE  11           HA       ILE  11 -16.250   1.252  -1.645
  102    HB   ILE  11           HB       ILE  11 -17.984   2.236   0.628
  103   1HG1  ILE  11          2HG1      ILE  11 -17.516   4.224  -1.359
  104   2HG1  ILE  11          1HG1      ILE  11 -18.063   2.767  -2.182
  105   1HG2  ILE  11          1HG2      ILE  11 -16.219   3.331   1.406
  106   2HG2  ILE  11          2HG2      ILE  11 -15.998   4.122  -0.154
  107   3HG2  ILE  11          3HG2      ILE  11 -15.210   2.578   0.171
  108   1HD1  ILE  11          1HD1      ILE  11 -20.104   2.764  -1.060
  109   2HD1  ILE  11          2HD1      ILE  11 -19.817   4.459  -1.447
  110   3HD1  ILE  11          3HD1      ILE  11 -19.527   3.867   0.189
  111    H    GLN  12           H        GLN  12 -17.971  -0.446   0.845
  112    HA   GLN  12           HA       GLN  12 -16.065  -0.732   2.832
  113   1HB   GLN  12          2HB       GLN  12 -17.718  -1.930   3.726
  114   2HB   GLN  12          1HB       GLN  12 -18.578  -1.801   2.203
  115   1HG   GLN  12          2HG       GLN  12 -18.619  -4.043   2.455
  116   2HG   GLN  12          1HG       GLN  12 -17.090  -3.908   1.599
  117   1HE2  GLN  12          1HE2      GLN  12 -15.773  -2.758   4.001
  118   2HE2  GLN  12          2HE2      GLN  12 -15.515  -4.093   5.065
  119    H    ALA  13           H        ALA  13 -16.449  -2.692  -0.103
  120    HA   ALA  13           HA       ALA  13 -14.209  -4.367   0.639
  121   1HB   ALA  13          1HB       ALA  13 -14.752  -5.712  -1.195
  122   2HB   ALA  13          2HB       ALA  13 -15.596  -4.399  -2.013
  123   3HB   ALA  13          3HB       ALA  13 -16.295  -5.130  -0.569
  124    H    MET  14           H        MET  14 -14.546  -1.486  -1.208
  125    HA   MET  14           HA       MET  14 -12.127  -1.979  -2.746
  126   1HB   MET  14          2HB       MET  14 -12.570   0.241  -3.759
  127   2HB   MET  14          1HB       MET  14 -13.897  -0.901  -3.938
  128   1HG   MET  14          2HG       MET  14 -14.937   1.086  -3.380
  129   2HG   MET  14          1HG       MET  14 -14.875   0.194  -1.862
  130   1HE   MET  14          1HE       MET  14 -14.325   3.851  -3.149
  131   2HE   MET  14          2HE       MET  14 -14.496   4.173  -1.423
  132   3HE   MET  14          3HE       MET  14 -15.578   3.030  -2.217
  133    H    ILE  15           H        ILE  15 -12.581  -1.048   0.337
  134    HA   ILE  15           HA       ILE  15 -10.739   1.060   0.292
  135    HB   ILE  15           HB       ILE  15 -11.008   1.098   2.878
  136   1HG1  ILE  15          2HG1      ILE  15 -13.659   0.158   2.849
  137   2HG1  ILE  15          1HG1      ILE  15 -12.713  -1.111   2.079
  138   1HG2  ILE  15          1HG2      ILE  15 -13.538   1.746   1.466
  139   2HG2  ILE  15          2HG2      ILE  15 -12.058   2.518   0.899
  140   3HG2  ILE  15          3HG2      ILE  15 -12.572   2.726   2.572
  141   1HD1  ILE  15          1HD1      ILE  15 -11.155  -0.887   4.104
  142   2HD1  ILE  15          2HD1      ILE  15 -12.706  -1.700   4.309
  143   3HD1  ILE  15          3HD1      ILE  15 -12.506  -0.035   4.854
  144    HA   PRO  16           HA       PRO  16  -7.515  -2.011   1.900
  145   1HB   PRO  16          2HB       PRO  16  -7.098  -3.762  -0.122
  146   2HB   PRO  16          1HB       PRO  16  -8.332  -4.017   1.113
  147   1HG   PRO  16          2HG       PRO  16  -8.632  -3.219  -1.711
  148   2HG   PRO  16          1HG       PRO  16  -9.789  -4.026  -0.646
  149   1HD   PRO  16          2HD       PRO  16  -9.668  -1.233  -1.322
  150   2HD   PRO  16          1HD       PRO  16 -10.798  -2.000  -0.224
  151    H    LYS  17           H        LYS  17  -5.247  -2.088   1.367
  152    HA   LYS  17           HA       LYS  17  -3.806  -1.655  -0.851
  153   1HB   LYS  17          2HB       LYS  17  -5.167   0.877  -0.127
  154   2HB   LYS  17          1HB       LYS  17  -3.458   1.008  -0.520
  155   1HG   LYS  17          2HG       LYS  17  -4.684  -0.642  -2.478
  156   2HG   LYS  17          1HG       LYS  17  -5.671   0.806  -2.279
  157   1HD   LYS  17          2HD       LYS  17  -4.224   1.815  -3.647
  158   2HD   LYS  17          1HD       LYS  17  -3.083   1.781  -2.301
  159   1HE   LYS  17          2HE       LYS  17  -1.766   0.363  -3.394
  160   2HE   LYS  17          1HE       LYS  17  -3.103  -0.760  -3.632
  161   1HZ   LYS  17          1HZ       LYS  17  -3.776   0.668  -5.551
  162   2HZ   LYS  17          2HZ       LYS  17  -2.310  -0.151  -5.758
  163   3HZ   LYS  17          3HZ       LYS  17  -2.311   1.498  -5.379
  164    H    GLY  18           H        GLY  18  -1.603  -0.584  -0.515
  165   1HA   GLY  18          2HA       GLY  18  -0.737   0.166   2.062
  166   2HA   GLY  18          1HA       GLY  18  -0.477  -1.556   1.873
  167    H    GLY  19           H        GLY  19   1.125  -2.292   0.421
  168   1HA   GLY  19          2HA       GLY  19   3.214  -2.231  -0.604
  169   2HA   GLY  19          1HA       GLY  19   2.648  -0.755  -1.364
  170    H    ARG  20           H        ARG  20   5.347  -1.262  -0.669
  171    HA   ARG  20           HA       ARG  20   6.730   0.674  -0.046
  172   1HB   ARG  20          2HB       ARG  20   5.066   1.702   1.429
  173   2HB   ARG  20          1HB       ARG  20   5.289   0.404   2.596
  174   1HG   ARG  20          2HG       ARG  20   7.847   1.388   2.146
  175   2HG   ARG  20          1HG       ARG  20   6.818   2.820   2.196
  176   1HD   ARG  20          2HD       ARG  20   7.684   2.258   4.410
  177   2HD   ARG  20          1HD       ARG  20   5.927   2.125   4.351
  178    HE   ARG  20           HE       ARG  20   6.648  -0.393   3.873
  179   1HH1  ARG  20          1HH1      ARG  20   7.798   1.864   6.282
  180   2HH1  ARG  20          2HH1      ARG  20   8.160   0.631   7.443
  181   1HH2  ARG  20          1HH2      ARG  20   7.125  -2.011   5.405
  182   2HH2  ARG  20          2HH2      ARG  20   7.777  -1.564   6.947
  183    H    MET  21           H        MET  21   8.182  -1.005  -0.523
  184    HA   MET  21           HA       MET  21   9.018  -2.678   1.730
  185   1HB   MET  21          2HB       MET  21  10.095  -4.123   0.225
  186   2HB   MET  21          1HB       MET  21   8.598  -3.673  -0.576
  187   1HG   MET  21          2HG       MET  21  11.173  -2.246  -1.138
  188   2HG   MET  21          1HG       MET  21  10.740  -3.739  -1.960
  189   1HE   MET  21          1HE       MET  21  10.169  -0.257  -4.133
  190   2HE   MET  21          2HE       MET  21  11.468  -1.292  -3.543
  191   3HE   MET  21          3HE       MET  21  10.800  -0.036  -2.500
  192    H    LEU  22           H        LEU  22  10.357  -0.398  -0.579
  193    HA   LEU  22           HA       LEU  22  12.288   0.840  -0.633
  194   1HB   LEU  22          2HB       LEU  22  11.114   2.038   1.072
  195   2HB   LEU  22          1HB       LEU  22  11.624   0.899   2.302
  196    HG   LEU  22           HG       LEU  22  13.899   2.123   0.964
  197   1HD1  LEU  22          1HD1      LEU  22  11.964   3.940   2.396
  198   2HD1  LEU  22          2HD1      LEU  22  12.418   4.023   0.694
  199   3HD1  LEU  22          3HD1      LEU  22  13.617   4.357   1.944
  200   1HD2  LEU  22          1HD2      LEU  22  14.804   1.871   2.992
  201   2HD2  LEU  22          2HD2      LEU  22  13.347   0.954   3.380
  202   3HD2  LEU  22          3HD2      LEU  22  13.451   2.665   3.798
  203    HA   PRO  23           HA       PRO  23  15.457  -2.211   0.754
  204   1HB   PRO  23          2HB       PRO  23  15.897  -3.449  -1.564
  205   2HB   PRO  23          1HB       PRO  23  14.448  -3.798  -0.613
  206   1HG   PRO  23          2HG       PRO  23  14.705  -2.333  -3.160
  207   2HG   PRO  23          1HG       PRO  23  13.284  -3.120  -2.456
  208   1HD   PRO  23          2HD       PRO  23  14.060  -0.311  -2.353
  209   2HD   PRO  23          1HD       PRO  23  12.535  -1.062  -1.837
  210    H    GLN  24           H        GLN  24  16.252   0.382   0.515
  211    HA   GLN  24           HA       GLN  24  18.194   0.605  -1.641
  212   1HB   GLN  24          2HB       GLN  24  17.368   2.687  -1.481
  213   2HB   GLN  24          1HB       GLN  24  16.783   2.430   0.153
  214   1HG   GLN  24          2HG       GLN  24  19.670   2.986  -0.468
  215   2HG   GLN  24          1HG       GLN  24  18.488   4.256  -0.174
  216   1HE2  GLN  24          1HE2      GLN  24  20.917   2.950   1.273
  217   2HE2  GLN  24          2HE2      GLN  24  20.362   2.834   2.907
  218    H    LEU  25           H        LEU  25  18.233  -0.600   1.506
  219    HA   LEU  25           HA       LEU  25  20.494   0.275   2.721
  220   1HB   LEU  25          2HB       LEU  25  18.844  -1.939   3.004
  221   2HB   LEU  25          1HB       LEU  25  20.435  -2.619   2.824
  222    HG   LEU  25           HG       LEU  25  20.464  -2.407   5.057
  223   1HD1  LEU  25          1HD1      LEU  25  21.821  -0.683   5.730
  224   2HD1  LEU  25          2HD1      LEU  25  20.979   0.511   4.743
  225   3HD1  LEU  25          3HD1      LEU  25  22.067  -0.652   3.983
  226   1HD2  LEU  25          1HD2      LEU  25  18.345  -0.381   4.602
  227   2HD2  LEU  25          2HD2      LEU  25  19.236  -0.313   6.122
  228   3HD2  LEU  25          3HD2      LEU  25  18.364  -1.779   5.676
  229    H    VAL  26           H        VAL  26  20.736  -2.839   1.063
  230    HA   VAL  26           HA       VAL  26  23.436  -2.994   0.958
  231    HB   VAL  26           HB       VAL  26  21.670  -3.978  -1.281
  232   1HG1  VAL  26          1HG1      VAL  26  24.337  -4.898  -0.218
  233   2HG1  VAL  26          2HG1      VAL  26  23.995  -4.226  -1.812
  234   3HG1  VAL  26          3HG1      VAL  26  23.359  -5.809  -1.368
  235   1HG2  VAL  26          1HG2      VAL  26  20.568  -4.979   0.419
  236   2HG2  VAL  26          2HG2      VAL  26  21.920  -4.810   1.538
  237   3HG2  VAL  26          3HG2      VAL  26  21.924  -6.105   0.340
  238    H    CYS  27           H        CYS  27  21.393  -1.147  -1.210
  239    HA   CYS  27           HA       CYS  27  23.127  -0.731  -3.318
  240   1HB   CYS  27          2HB       CYS  27  20.777   0.036  -3.282
  241   2HB   CYS  27          1HB       CYS  27  21.230   1.315  -2.159
  242    HG   CYS  27           HG       CYS  27  22.919   1.966  -4.326
  243    H    ARG  28           H        ARG  28  22.607   1.766  -0.818
  244    HA   ARG  28           HA       ARG  28  25.254   2.819  -1.406
  245   1HB   ARG  28          2HB       ARG  28  23.501   4.436  -1.304
  246   2HB   ARG  28          1HB       ARG  28  22.966   3.853   0.263
  247   1HG   ARG  28          2HG       ARG  28  24.182   5.996   0.375
  248   2HG   ARG  28          1HG       ARG  28  24.941   4.718   1.322
  249   1HD   ARG  28          2HD       ARG  28  26.253   4.389  -0.995
  250   2HD   ARG  28          1HD       ARG  28  25.891   6.109  -1.111
  251    HE   ARG  28           HE       ARG  28  26.911   5.788   1.400
  252   1HH1  ARG  28          1HH1      ARG  28  28.037   5.049  -1.819
  253   2HH1  ARG  28          2HH1      ARG  28  29.708   5.266  -1.419
  254   1HH2  ARG  28          1HH2      ARG  28  29.102   6.066   1.932
  255   2HH2  ARG  28          2HH2      ARG  28  30.315   5.843   0.714
  256    H    LEU  29           H        LEU  29  24.194   0.500   0.732
  257    HA   LEU  29           HA       LEU  29  25.836   1.417   2.946
  258   1HB   LEU  29          2HB       LEU  29  23.771   0.383   3.556
  259   2HB   LEU  29          1HB       LEU  29  24.140  -1.046   2.607
  260    HG   LEU  29           HG       LEU  29  25.889  -1.689   4.140
  261   1HD1  LEU  29          1HD1      LEU  29  26.991   0.100   4.988
  262   2HD1  LEU  29          2HD1      LEU  29  25.891  -0.174   6.337
  263   3HD1  LEU  29          3HD1      LEU  29  25.525   1.069   5.142
  264   1HD2  LEU  29          1HD2      LEU  29  24.564  -2.431   5.854
  265   2HD2  LEU  29          2HD2      LEU  29  23.337  -1.982   4.670
  266   3HD2  LEU  29          3HD2      LEU  29  23.713  -0.896   6.009
  267    H    VAL  30           H        VAL  30  26.113  -0.887   0.311
  268    HA   VAL  30           HA       VAL  30  28.321  -2.224   1.575
  269    HB   VAL  30           HB       VAL  30  26.865  -3.522   0.178
  270   1HG1  VAL  30          1HG1      VAL  30  27.731  -2.454  -2.404
  271   2HG1  VAL  30          2HG1      VAL  30  26.689  -1.377  -1.471
  272   3HG1  VAL  30          3HG1      VAL  30  26.146  -3.008  -1.866
  273   1HG2  VAL  30          1HG2      VAL  30  29.018  -4.450   0.244
  274   2HG2  VAL  30          2HG2      VAL  30  29.683  -3.213  -0.822
  275   3HG2  VAL  30          3HG2      VAL  30  28.600  -4.442  -1.470
  276    H    LEU  31           H        LEU  31  28.472  -0.957  -1.708
  277    HA   LEU  31           HA       LEU  31  30.384  -0.254  -2.799
  278   1HB   LEU  31          2HB       LEU  31  28.762   1.669  -2.107
  279   2HB   LEU  31          1HB       LEU  31  30.039   2.114  -0.994
  280    HG   LEU  31           HG       LEU  31  29.959   3.314  -3.252
  281   1HD1  LEU  31          1HD1      LEU  31  32.602   2.007  -2.748
  282   2HD1  LEU  31          2HD1      LEU  31  31.905   3.128  -1.578
  283   3HD1  LEU  31          3HD1      LEU  31  32.251   3.669  -3.221
  284   1HD2  LEU  31          1HD2      LEU  31  29.733   0.939  -4.377
  285   2HD2  LEU  31          2HD2      LEU  31  31.494   1.012  -4.340
  286   3HD2  LEU  31          3HD2      LEU  31  30.577   2.262  -5.183
  287    H    ARG  32           H        ARG  32  31.322  -1.946  -1.160
  288    HA   ARG  32           HA       ARG  32  33.392  -0.667   0.442
  289   1HB   ARG  32          2HB       ARG  32  31.949  -2.614   1.265
  290   2HB   ARG  32          1HB       ARG  32  32.942  -3.629   0.230
  291   1HG   ARG  32          2HG       ARG  32  33.748  -3.622   2.519
  292   2HG   ARG  32          1HG       ARG  32  34.928  -2.925   1.408
  293   1HD   ARG  32          2HD       ARG  32  33.086  -0.961   2.528
  294   2HD   ARG  32          1HD       ARG  32  34.062  -1.778   3.750
  295    HE   ARG  32           HE       ARG  32  34.975   0.090   1.757
  296   1HH1  ARG  32          1HH1      ARG  32  35.907  -2.489   3.916
  297   2HH1  ARG  32          2HH1      ARG  32  37.568  -2.006   3.974
  298   1HH2  ARG  32          1HH2      ARG  32  37.157   0.723   1.832
  299   2HH2  ARG  32          2HH2      ARG  32  38.279  -0.182   2.792
  300    H    CYS  33           H        CYS  33  33.889  -3.769  -1.144
  301    HA   CYS  33           HA       CYS  33  35.419  -4.495  -2.661
  302   1HB   CYS  33          2HB       CYS  33  35.008  -1.676  -3.480
  303   2HB   CYS  33          1HB       CYS  33  36.463  -2.462  -4.073
  304    HG   CYS  33           HG       CYS  33  35.108  -3.927  -5.557
  305    H    SER  34           H        SER  34  36.401  -1.357  -1.486
  306    HA   SER  34           HA       SER  34  38.403  -2.125   0.239
  307   1HB   SER  34          2HB       SER  34  39.711  -3.096  -1.476
  308   2HB   SER  34          1HB       SER  34  39.371  -1.777  -2.596
  309    HG   SER  34           HG       SER  34  41.503  -1.790  -1.525
  Start of MODEL    5
    1   1H    CYS   1          1HT       CYS   1 -38.286  -0.372  -1.540
    2   2H    CYS   1          2HT       CYS   1 -39.506  -0.328  -0.335
    3   3H    CYS   1          3HT       CYS   1 -37.901  -0.769   0.082
    4    HA   CYS   1           HA       CYS   1 -38.408   1.817  -1.148
    5   1HB   CYS   1          2HB       CYS   1 -39.285   0.890   1.530
    6   2HB   CYS   1          1HB       CYS   1 -38.477   2.451   1.470
    7    HG   CYS   1           HG       CYS   1 -41.013   1.929  -0.244
    8    H    TRP   2           H        TRP   2 -36.237  -0.294  -0.858
    9    HA   TRP   2           HA       TRP   2 -34.161   1.533   0.153
   10   1HB   TRP   2          2HB       TRP   2 -32.963  -0.708   0.816
   11   2HB   TRP   2          1HB       TRP   2 -34.056   0.075   1.927
   12    HD1  TRP   2           HD       TRP   2 -36.343  -1.203   2.493
   13    HE1  TRP   2           1HE      TRP   2 -37.136  -3.607   2.019
   14    HE3  TRP   2           3HE      TRP   2 -32.813  -2.559  -0.944
   15    HZ2  TRP   2           2HZ      TRP   2 -36.356  -5.793   0.402
   16    HZ3  TRP   2           3HZ      TRP   2 -32.895  -4.813  -1.912
   17    HH2  TRP   2           HH       TRP   2 -34.639  -6.406  -1.251
   18    H    LEU   3           H        LEU   3 -31.975   0.577  -0.391
   19    HA   LEU   3           HA       LEU   3 -31.461  -1.164  -2.394
   20   1HB   LEU   3          2HB       LEU   3 -32.925   0.721  -3.597
   21   2HB   LEU   3          1HB       LEU   3 -31.355   1.476  -3.735
   22    HG   LEU   3           HG       LEU   3 -31.058  -1.227  -4.495
   23   1HD1  LEU   3          1HD1      LEU   3 -32.762  -1.768  -5.857
   24   2HD1  LEU   3          2HD1      LEU   3 -32.936  -0.118  -6.457
   25   3HD1  LEU   3          3HD1      LEU   3 -33.672  -0.580  -4.923
   26   1HD2  LEU   3          1HD2      LEU   3 -29.943   1.043  -5.183
   27   2HD2  LEU   3          2HD2      LEU   3 -31.153   0.999  -6.469
   28   3HD2  LEU   3          3HD2      LEU   3 -29.992  -0.319  -6.304
   29    H    CYS   4           H        CYS   4 -30.780   2.034  -1.210
   30    HA   CYS   4           HA       CYS   4 -28.211   2.521  -1.901
   31   1HB   CYS   4          2HB       CYS   4 -29.934   3.232   0.327
   32   2HB   CYS   4          1HB       CYS   4 -28.240   3.200   0.781
   33    HG   CYS   4           HG       CYS   4 -29.427   5.092  -1.374
   34    H    ARG   5           H        ARG   5 -29.300  -0.029   0.157
   35    HA   ARG   5           HA       ARG   5 -27.055  -0.540   1.698
   36   1HB   ARG   5          2HB       ARG   5 -29.354  -1.812   1.499
   37   2HB   ARG   5          1HB       ARG   5 -28.450  -2.849   0.404
   38   1HG   ARG   5          2HG       ARG   5 -27.834  -3.988   2.210
   39   2HG   ARG   5          1HG       ARG   5 -26.774  -2.625   2.576
   40   1HD   ARG   5          2HD       ARG   5 -28.171  -3.252   4.494
   41   2HD   ARG   5          1HD       ARG   5 -28.499  -1.613   3.943
   42    HE   ARG   5           HE       ARG   5 -30.232  -3.949   3.494
   43   1HH1  ARG   5          1HH1      ARG   5 -29.783  -0.480   3.643
   44   2HH1  ARG   5          2HH1      ARG   5 -31.471  -0.138   3.477
   45   1HH2  ARG   5          1HH2      ARG   5 -32.439  -3.487   3.273
   46   2HH2  ARG   5          2HH2      ARG   5 -32.976  -1.840   3.263
   47    H    ALA   6           H        ALA   6 -27.427  -0.851  -1.715
   48    HA   ALA   6           HA       ALA   6 -25.258  -2.644  -2.152
   49   1HB   ALA   6          1HB       ALA   6 -27.255  -2.066  -3.687
   50   2HB   ALA   6          2HB       ALA   6 -25.674  -2.372  -4.415
   51   3HB   ALA   6          3HB       ALA   6 -26.246  -0.716  -4.210
   52    H    LEU   7           H        LEU   7 -25.554   0.895  -2.126
   53    HA   LEU   7           HA       LEU   7 -22.893   1.323  -3.048
   54   1HB   LEU   7          2HB       LEU   7 -23.591   3.607  -1.591
   55   2HB   LEU   7          1HB       LEU   7 -23.658   3.390  -3.326
   56    HG   LEU   7           HG       LEU   7 -25.944   2.698  -1.505
   57   1HD1  LEU   7          1HD1      LEU   7 -26.003   4.916  -1.124
   58   2HD1  LEU   7          2HD1      LEU   7 -26.797   4.921  -2.697
   59   3HD1  LEU   7          3HD1      LEU   7 -25.080   5.305  -2.577
   60   1HD2  LEU   7          1HD2      LEU   7 -26.951   1.959  -3.338
   61   2HD2  LEU   7          2HD2      LEU   7 -25.442   2.191  -4.221
   62   3HD2  LEU   7          3HD2      LEU   7 -26.642   3.483  -4.171
   63    H    ILE   8           H        ILE   8 -24.237   0.494   0.007
   64    HA   ILE   8           HA       ILE   8 -22.016   1.578   1.446
   65    HB   ILE   8           HB       ILE   8 -22.767   0.371   3.375
   66   1HG1  ILE   8          2HG1      ILE   8 -25.221  -0.707   2.180
   67   2HG1  ILE   8          1HG1      ILE   8 -23.749  -1.520   1.674
   68   1HG2  ILE   8          1HG2      ILE   8 -25.209   1.503   2.045
   69   2HG2  ILE   8          2HG2      ILE   8 -23.868   2.509   2.594
   70   3HG2  ILE   8          3HG2      ILE   8 -24.780   1.542   3.754
   71   1HD1  ILE   8          1HD1      ILE   8 -24.397  -1.041   4.558
   72   2HD1  ILE   8          2HD1      ILE   8 -23.219  -2.156   3.869
   73   3HD1  ILE   8          3HD1      ILE   8 -24.945  -2.469   3.681
   74    H    LYS   9           H        LYS   9 -22.889  -1.527   0.058
   75    HA   LYS   9           HA       LYS   9 -20.596  -2.858   1.137
   76   1HB   LYS   9          2HB       LYS   9 -21.378  -4.776   0.106
   77   2HB   LYS   9          1HB       LYS   9 -22.865  -3.863   0.313
   78   1HG   LYS   9          2HG       LYS   9 -22.154  -3.009  -2.128
   79   2HG   LYS   9          1HG       LYS   9 -21.423  -4.613  -2.148
   80   1HD   LYS   9          2HD       LYS   9 -23.500  -5.675  -1.785
   81   2HD   LYS   9          1HD       LYS   9 -24.279  -4.161  -1.316
   82   1HE   LYS   9          2HE       LYS   9 -23.979  -3.322  -3.616
   83   2HE   LYS   9          1HE       LYS   9 -23.259  -4.863  -4.071
   84   1HZ   LYS   9          1HZ       LYS   9 -25.981  -4.701  -2.927
   85   2HZ   LYS   9          2HZ       LYS   9 -25.286  -5.964  -3.812
   86   3HZ   LYS   9          3HZ       LYS   9 -25.703  -4.519  -4.587
   87    H    ARG  10           H        ARG  10 -21.045  -0.684  -1.391
   88    HA   ARG  10           HA       ARG  10 -18.956  -1.728  -3.078
   89   1HB   ARG  10          2HB       ARG  10 -19.135   0.291  -4.383
   90   2HB   ARG  10          1HB       ARG  10 -20.755  -0.275  -4.007
   91   1HG   ARG  10          2HG       ARG  10 -20.995   1.940  -3.590
   92   2HG   ARG  10          1HG       ARG  10 -20.512   1.368  -1.999
   93   1HD   ARG  10          2HD       ARG  10 -18.601   2.505  -2.034
   94   2HD   ARG  10          1HD       ARG  10 -18.255   2.045  -3.699
   95    HE   ARG  10           HE       ARG  10 -18.955   4.122  -4.301
   96   1HH1  ARG  10          1HH1      ARG  10 -20.616   3.262  -1.347
   97   2HH1  ARG  10          2HH1      ARG  10 -21.484   4.758  -1.257
   98   1HH2  ARG  10          1HH2      ARG  10 -20.101   6.091  -4.171
   99   2HH2  ARG  10          2HH2      ARG  10 -21.192   6.358  -2.854
  100    H    ILE  11           H        ILE  11 -19.267   0.795  -0.622
  101    HA   ILE  11           HA       ILE  11 -16.616   1.731  -0.699
  102    HB   ILE  11           HB       ILE  11 -18.659   1.556   1.506
  103   1HG1  ILE  11          2HG1      ILE  11 -17.523   4.163   0.997
  104   2HG1  ILE  11          1HG1      ILE  11 -18.061   3.431  -0.508
  105   1HG2  ILE  11          1HG2      ILE  11 -16.785   3.174   2.612
  106   2HG2  ILE  11          2HG2      ILE  11 -15.770   1.965   1.826
  107   3HG2  ILE  11          3HG2      ILE  11 -16.985   1.466   3.002
  108   1HD1  ILE  11          1HD1      ILE  11 -20.270   3.012   0.609
  109   2HD1  ILE  11          2HD1      ILE  11 -19.860   4.704   0.332
  110   3HD1  ILE  11          3HD1      ILE  11 -19.692   4.008   1.942
  111    H    GLN  12           H        GLN  12 -18.219  -0.991   0.753
  112    HA   GLN  12           HA       GLN  12 -16.243  -2.070   2.376
  113   1HB   GLN  12          2HB       GLN  12 -17.907  -3.523   2.699
  114   2HB   GLN  12          1HB       GLN  12 -18.763  -2.826   1.334
  115   1HG   GLN  12          2HG       GLN  12 -18.670  -5.118   0.910
  116   2HG   GLN  12          1HG       GLN  12 -17.444  -4.400  -0.135
  117   1HE2  GLN  12          1HE2      GLN  12 -15.689  -5.558  -0.234
  118   2HE2  GLN  12          2HE2      GLN  12 -14.997  -6.499   1.037
  119    H    ALA  13           H        ALA  13 -16.640  -2.274  -1.109
  120    HA   ALA  13           HA       ALA  13 -14.458  -4.162  -1.373
  121   1HB   ALA  13          1HB       ALA  13 -14.996  -4.283  -3.655
  122   2HB   ALA  13          2HB       ALA  13 -15.823  -2.726  -3.624
  123   3HB   ALA  13          3HB       ALA  13 -16.540  -4.121  -2.818
  124    H    MET  14           H        MET  14 -14.747  -0.733  -1.352
  125    HA   MET  14           HA       MET  14 -12.321  -0.377  -2.900
  126   1HB   MET  14          2HB       MET  14 -12.696   2.077  -2.538
  127   2HB   MET  14          1HB       MET  14 -13.953   1.234  -3.430
  128   1HG   MET  14          2HG       MET  14 -15.070   2.664  -1.970
  129   2HG   MET  14          1HG       MET  14 -15.197   1.062  -1.261
  130   1HE   MET  14          1HE       MET  14 -14.402   4.804   0.034
  131   2HE   MET  14          2HE       MET  14 -15.113   3.955   1.407
  132   3HE   MET  14          3HE       MET  14 -15.814   3.775  -0.203
  133    H    ILE  15           H        ILE  15 -12.791  -1.217   0.179
  134    HA   ILE  15           HA       ILE  15 -10.974   0.563   1.320
  135    HB   ILE  15           HB       ILE  15 -11.107  -1.152   3.365
  136   1HG1  ILE  15          2HG1      ILE  15 -13.878  -1.478   2.466
  137   2HG1  ILE  15          1HG1      ILE  15 -12.711  -2.389   1.515
  138   1HG2  ILE  15          1HG2      ILE  15 -12.411   0.396   4.359
  139   2HG2  ILE  15          2HG2      ILE  15 -13.563   0.440   3.024
  140   3HG2  ILE  15          3HG2      ILE  15 -12.039   1.319   2.902
  141   1HD1  ILE  15          1HD1      ILE  15 -12.723  -2.499   4.494
  142   2HD1  ILE  15          2HD1      ILE  15 -12.008  -3.625   3.344
  143   3HD1  ILE  15          3HD1      ILE  15 -13.761  -3.534   3.517
  144    HA   PRO  16           HA       PRO  16  -7.662  -2.841   0.818
  145   1HB   PRO  16          2HB       PRO  16  -7.160  -2.552  -1.947
  146   2HB   PRO  16          1HB       PRO  16  -7.918  -3.929  -1.139
  147   1HG   PRO  16          2HG       PRO  16  -9.146  -2.028  -2.880
  148   2HG   PRO  16          1HG       PRO  16  -9.919  -3.364  -2.018
  149   1HD   PRO  16          2HD       PRO  16  -9.928  -0.489  -1.362
  150   2HD   PRO  16          1HD       PRO  16 -10.996  -1.750  -0.767
  151    H    LYS  17           H        LYS  17  -5.355  -2.495   0.275
  152    HA   LYS  17           HA       LYS  17  -3.877  -0.691  -0.926
  153   1HB   LYS  17          2HB       LYS  17  -5.561   0.862   0.866
  154   2HB   LYS  17          1HB       LYS  17  -3.866   1.100   1.245
  155   1HG   LYS  17          2HG       LYS  17  -4.847   2.725  -0.399
  156   2HG   LYS  17          1HG       LYS  17  -3.379   1.896  -0.922
  157   1HD   LYS  17          2HD       LYS  17  -5.480   0.264  -1.775
  158   2HD   LYS  17          1HD       LYS  17  -6.010   1.911  -2.117
  159   1HE   LYS  17          2HE       LYS  17  -4.039   2.337  -3.412
  160   2HE   LYS  17          1HE       LYS  17  -3.323   0.804  -2.919
  161   1HZ   LYS  17          1HZ       LYS  17  -4.703  -0.385  -4.294
  162   2HZ   LYS  17          2HZ       LYS  17  -4.474   1.016  -5.215
  163   3HZ   LYS  17          3HZ       LYS  17  -5.903   0.809  -4.333
  164    H    GLY  18           H        GLY  18  -1.711  -0.238  -0.029
  165   1HA   GLY  18          2HA       GLY  18  -1.056  -1.269   2.578
  166   2HA   GLY  18          1HA       GLY  18  -0.608  -2.377   1.298
  167    H    GLY  19           H        GLY  19   1.108  -1.796  -0.139
  168   1HA   GLY  19          2HA       GLY  19   2.926  -0.395  -0.879
  169   2HA   GLY  19          1HA       GLY  19   2.657   0.630   0.521
  170    H    ARG  20           H        ARG  20   5.218   0.184   0.138
  171    HA   ARG  20           HA       ARG  20   6.829  -0.337   1.857
  172   1HB   ARG  20          2HB       ARG  20   5.148  -1.902   2.978
  173   2HB   ARG  20          1HB       ARG  20   5.734  -3.147   1.882
  174   1HG   ARG  20          2HG       ARG  20   6.955  -3.485   3.828
  175   2HG   ARG  20          1HG       ARG  20   8.062  -2.573   2.798
  176   1HD   ARG  20          2HD       ARG  20   8.178  -0.918   4.281
  177   2HD   ARG  20          1HD       ARG  20   6.423  -0.781   4.342
  178    HE   ARG  20           HE       ARG  20   6.398  -2.099   6.243
  179   1HH1  ARG  20          1HH1      ARG  20   9.617  -2.048   4.887
  180   2HH1  ARG  20          2HH1      ARG  20  10.362  -2.670   6.320
  181   1HH2  ARG  20          1HH2      ARG  20   7.380  -2.908   8.128
  182   2HH2  ARG  20          2HH2      ARG  20   9.094  -3.157   8.162
  183    H    MET  21           H        MET  21   7.977   0.112  -0.076
  184    HA   MET  21           HA       MET  21   8.595  -1.990  -1.934
  185   1HB   MET  21          2HB       MET  21  10.085  -0.342  -2.986
  186   2HB   MET  21          1HB       MET  21   8.468   0.295  -2.724
  187   1HG   MET  21          2HG       MET  21   9.703   1.070  -0.441
  188   2HG   MET  21          1HG       MET  21  11.039   1.128  -1.589
  189   1HE   MET  21          1HE       MET  21   9.078   2.608  -4.464
  190   2HE   MET  21          2HE       MET  21  10.557   1.800  -3.940
  191   3HE   MET  21          3HE       MET  21  10.497   3.560  -4.028
  192    H    LEU  22           H        LEU  22  10.302  -0.412   0.696
  193    HA   LEU  22           HA       LEU  22  11.895  -1.369   2.112
  194   1HB   LEU  22          2HB       LEU  22  11.283  -3.615   1.196
  195   2HB   LEU  22          1HB       LEU  22  12.508  -3.383  -0.039
  196    HG   LEU  22           HG       LEU  22  14.151  -3.066   1.907
  197   1HD1  LEU  22          1HD1      LEU  22  12.339  -4.770   3.510
  198   2HD1  LEU  22          2HD1      LEU  22  12.014  -3.037   3.479
  199   3HD1  LEU  22          3HD1      LEU  22  13.583  -3.629   4.023
  200   1HD2  LEU  22          1HD2      LEU  22  12.885  -5.727   1.297
  201   2HD2  LEU  22          2HD2      LEU  22  14.408  -5.524   2.164
  202   3HD2  LEU  22          3HD2      LEU  22  14.267  -4.983   0.492
  203    HA   PRO  23           HA       PRO  23  15.499   0.777   0.464
  204   1HB   PRO  23          2HB       PRO  23  16.740   1.146   2.752
  205   2HB   PRO  23          1HB       PRO  23  15.151   1.875   2.483
  206   1HG   PRO  23          2HG       PRO  23  15.878  -0.547   4.074
  207   2HG   PRO  23          1HG       PRO  23  14.683   0.712   4.430
  208   1HD   PRO  23          2HD       PRO  23  14.159  -1.794   3.283
  209   2HD   PRO  23          1HD       PRO  23  13.051  -0.406   3.315
  210    H    GLN  24           H        GLN  24  16.857  -0.304  -0.794
  211    HA   GLN  24           HA       GLN  24  18.468  -2.495   0.266
  212   1HB   GLN  24          2HB       GLN  24  17.448  -1.809  -2.305
  213   2HB   GLN  24          1HB       GLN  24  19.204  -1.808  -2.407
  214   1HG   GLN  24          2HG       GLN  24  17.491  -4.076  -1.410
  215   2HG   GLN  24          1HG       GLN  24  18.270  -3.975  -2.989
  216   1HE2  GLN  24          1HE2      GLN  24  19.766  -5.493  -2.978
  217   2HE2  GLN  24          2HE2      GLN  24  20.989  -5.700  -1.776
  218    H    LEU  25           H        LEU  25  18.624   0.761   0.350
  219    HA   LEU  25           HA       LEU  25  20.936   1.772  -0.556
  220   1HB   LEU  25          2HB       LEU  25  19.169   2.446   1.456
  221   2HB   LEU  25          1HB       LEU  25  20.694   2.325   2.292
  222    HG   LEU  25           HG       LEU  25  21.672   3.894   0.618
  223   1HD1  LEU  25          1HD1      LEU  25  19.641   5.321  -0.396
  224   2HD1  LEU  25          2HD1      LEU  25  18.912   3.714  -0.422
  225   3HD1  LEU  25          3HD1      LEU  25  20.431   4.009  -1.269
  226   1HD2  LEU  25          1HD2      LEU  25  21.069   4.733   2.772
  227   2HD2  LEU  25          2HD2      LEU  25  19.366   4.820   2.323
  228   3HD2  LEU  25          3HD2      LEU  25  20.533   5.906   1.569
  229    H    VAL  26           H        VAL  26  20.594  -0.409   2.155
  230    HA   VAL  26           HA       VAL  26  23.217  -0.225   3.132
  231    HB   VAL  26           HB       VAL  26  22.830  -2.685   3.863
  232   1HG1  VAL  26          1HG1      VAL  26  21.509  -0.196   4.743
  233   2HG1  VAL  26          2HG1      VAL  26  22.589  -1.281   5.619
  234   3HG1  VAL  26          3HG1      VAL  26  20.886  -1.697   5.423
  235   1HG2  VAL  26          1HG2      VAL  26  20.992  -2.941   2.088
  236   2HG2  VAL  26          2HG2      VAL  26  19.972  -2.047   3.215
  237   3HG2  VAL  26          3HG2      VAL  26  20.681  -3.585   3.701
  238    H    CYS  27           H        CYS  27  21.987  -2.220   0.478
  239    HA   CYS  27           HA       CYS  27  24.448  -3.637   0.161
  240   1HB   CYS  27          2HB       CYS  27  22.366  -4.600  -0.654
  241   2HB   CYS  27          1HB       CYS  27  22.152  -3.253  -1.767
  242    HG   CYS  27           HG       CYS  27  24.637  -4.357  -2.673
  243    H    ARG  28           H        ARG  28  23.158  -0.639  -1.126
  244    HA   ARG  28           HA       ARG  28  25.320  -0.418  -3.060
  245   1HB   ARG  28          2HB       ARG  28  23.266   0.339  -3.902
  246   2HB   ARG  28          1HB       ARG  28  22.896   1.236  -2.439
  247   1HG   ARG  28          2HG       ARG  28  23.417   2.773  -4.199
  248   2HG   ARG  28          1HG       ARG  28  24.709   2.821  -3.001
  249   1HD   ARG  28          2HD       ARG  28  25.092   0.892  -5.190
  250   2HD   ARG  28          1HD       ARG  28  25.101   2.588  -5.673
  251    HE   ARG  28           HE       ARG  28  27.183   1.226  -4.365
  252   1HH1  ARG  28          1HH1      ARG  28  25.502   4.284  -4.271
  253   2HH1  ARG  28          2HH1      ARG  28  26.853   5.149  -3.623
  254   1HH2  ARG  28          1HH2      ARG  28  28.956   2.357  -3.504
  255   2HH2  ARG  28          2HH2      ARG  28  28.817   4.055  -3.189
  256    H    LEU  29           H        LEU  29  24.246   1.414  -0.203
  257    HA   LEU  29           HA       LEU  29  26.326   3.303  -0.302
  258   1HB   LEU  29          2HB       LEU  29  24.905   4.257   1.110
  259   2HB   LEU  29          1HB       LEU  29  24.050   2.749   1.347
  260    HG   LEU  29           HG       LEU  29  26.565   3.359   2.884
  261   1HD1  LEU  29          1HD1      LEU  29  24.572   5.101   3.026
  262   2HD1  LEU  29          2HD1      LEU  29  25.496   4.615   4.447
  263   3HD1  LEU  29          3HD1      LEU  29  23.923   3.885   4.127
  264   1HD2  LEU  29          1HD2      LEU  29  25.005   1.103   2.685
  265   2HD2  LEU  29          2HD2      LEU  29  24.401   1.875   4.152
  266   3HD2  LEU  29          3HD2      LEU  29  26.114   1.481   4.005
  267    H    VAL  30           H        VAL  30  26.152   0.077   0.999
  268    HA   VAL  30           HA       VAL  30  28.245   0.363   2.831
  269    HB   VAL  30           HB       VAL  30  26.632  -1.474   2.929
  270   1HG1  VAL  30          1HG1      VAL  30  28.064  -3.054   0.863
  271   2HG1  VAL  30          2HG1      VAL  30  26.922  -1.827   0.309
  272   3HG1  VAL  30          3HG1      VAL  30  26.382  -3.112   1.386
  273   1HG2  VAL  30          1HG2      VAL  30  29.089  -3.049   2.658
  274   2HG2  VAL  30          2HG2      VAL  30  28.098  -2.723   4.081
  275   3HG2  VAL  30          3HG2      VAL  30  29.308  -1.550   3.561
  276    H    LEU  31           H        LEU  31  28.700  -1.711  -0.000
  277    HA   LEU  31           HA       LEU  31  30.577  -2.200  -1.177
  278   1HB   LEU  31          2HB       LEU  31  29.406  -0.335  -2.361
  279   2HB   LEU  31          1HB       LEU  31  30.504   0.786  -1.581
  280    HG   LEU  31           HG       LEU  31  30.883  -0.240  -4.055
  281   1HD1  LEU  31          1HD1      LEU  31  33.367   0.220  -2.543
  282   2HD1  LEU  31          2HD1      LEU  31  32.153   1.496  -2.460
  283   3HD1  LEU  31          3HD1      LEU  31  32.776   0.973  -4.024
  284   1HD2  LEU  31          1HD2      LEU  31  32.542  -1.945  -4.064
  285   2HD2  LEU  31          2HD2      LEU  31  31.211  -2.529  -3.065
  286   3HD2  LEU  31          3HD2      LEU  31  32.679  -1.912  -2.306
  287    H    ARG  32           H        ARG  32  31.452  -2.468   1.132
  288    HA   ARG  32           HA       ARG  32  33.505  -0.660   1.931
  289   1HB   ARG  32          2HB       ARG  32  32.266  -2.339   3.417
  290   2HB   ARG  32          1HB       ARG  32  33.326  -3.561   2.723
  291   1HG   ARG  32          2HG       ARG  32  34.129  -2.721   4.878
  292   2HG   ARG  32          1HG       ARG  32  35.264  -2.413   3.561
  293   1HD   ARG  32          2HD       ARG  32  33.294  -0.288   4.057
  294   2HD   ARG  32          1HD       ARG  32  34.464  -0.546   5.352
  295    HE   ARG  32           HE       ARG  32  34.995   0.468   2.685
  296   1HH1  ARG  32          1HH1      ARG  32  36.357  -0.805   5.641
  297   2HH1  ARG  32          2HH1      ARG  32  37.920  -0.117   5.357
  298   1HH2  ARG  32          1HH2      ARG  32  37.045   1.368   2.319
  299   2HH2  ARG  32          2HH2      ARG  32  38.311   1.116   3.474
  300    H    CYS  33           H        CYS  33  33.751  -4.055   0.859
  301    HA   CYS  33           HA       CYS  33  35.233  -5.117  -0.508
  302   1HB   CYS  33          2HB       CYS  33  35.343  -2.340  -1.458
  303   2HB   CYS  33          1HB       CYS  33  36.766  -3.298  -1.826
  304    HG   CYS  33           HG       CYS  33  35.491  -4.155  -3.723
  305    H    SER  34           H        SER  34  36.649  -2.213   0.827
  306    HA   SER  34           HA       SER  34  38.839  -3.841   1.907
  307   1HB   SER  34          2HB       SER  34  39.441  -2.486  -0.207
  308   2HB   SER  34          1HB       SER  34  39.365  -1.075   0.848
  309    HG   SER  34           HG       SER  34  41.479  -2.165   0.592
  Start of MODEL    6
    1   1H    CYS   1          1HT       CYS   1 -36.316  -3.969   3.492
    2   2H    CYS   1          2HT       CYS   1 -35.629  -2.397   3.486
    3   3H    CYS   1          3HT       CYS   1 -34.771  -3.714   2.796
    4    HA   CYS   1           HA       CYS   1 -36.221  -3.890   1.031
    5   1HB   CYS   1          2HB       CYS   1 -38.177  -3.422   2.701
    6   2HB   CYS   1          1HB       CYS   1 -37.983  -1.751   2.192
    7    HG   CYS   1           HG       CYS   1 -39.767  -2.776   0.662
    8    H    TRP   2           H        TRP   2 -33.872  -2.469   1.424
    9    HA   TRP   2           HA       TRP   2 -34.360  -0.175  -0.319
   10   1HB   TRP   2          2HB       TRP   2 -33.696   0.095   2.404
   11   2HB   TRP   2          1HB       TRP   2 -32.237   0.492   1.506
   12    HD1  TRP   2           HD       TRP   2 -35.057   2.253   2.878
   13    HE1  TRP   2           1HE      TRP   2 -35.550   4.433   1.583
   14    HE3  TRP   2           3HE      TRP   2 -32.353   1.309  -1.295
   15    HZ2  TRP   2           2HZ      TRP   2 -34.850   5.587  -0.940
   16    HZ3  TRP   2           3HZ      TRP   2 -32.276   2.922  -3.107
   17    HH2  TRP   2           HH       TRP   2 -33.511   5.051  -2.943
   18    H    LEU   3           H        LEU   3 -33.061  -0.109  -1.993
   19    HA   LEU   3           HA       LEU   3 -31.069  -2.076  -2.411
   20   1HB   LEU   3          2HB       LEU   3 -30.603  -0.457  -4.460
   21   2HB   LEU   3          1HB       LEU   3 -31.893  -1.630  -4.414
   22    HG   LEU   3           HG       LEU   3 -32.326   1.215  -3.586
   23   1HD1  LEU   3          1HD1      LEU   3 -33.409   1.199  -6.016
   24   2HD1  LEU   3          2HD1      LEU   3 -32.070   0.086  -6.303
   25   3HD1  LEU   3          3HD1      LEU   3 -31.751   1.718  -5.714
   26   1HD2  LEU   3          1HD2      LEU   3 -34.542  -0.082  -4.845
   27   2HD2  LEU   3          2HD2      LEU   3 -34.405   0.569  -3.209
   28   3HD2  LEU   3          3HD2      LEU   3 -33.917  -1.093  -3.540
   29    H    CYS   4           H        CYS   4 -31.000   1.214  -1.454
   30    HA   CYS   4           HA       CYS   4 -28.546   2.190  -1.932
   31   1HB   CYS   4          2HB       CYS   4 -30.612   2.698  -0.154
   32   2HB   CYS   4          1HB       CYS   4 -29.219   2.478   0.881
   33    HG   CYS   4           HG       CYS   4 -29.782   4.920  -0.753
   34    H    ARG   5           H        ARG   5 -29.314  -0.564  -0.019
   35    HA   ARG   5           HA       ARG   5 -26.982  -0.697   1.568
   36   1HB   ARG   5          2HB       ARG   5 -29.243  -2.230   1.327
   37   2HB   ARG   5          1HB       ARG   5 -28.019  -3.291   0.643
   38   1HG   ARG   5          2HG       ARG   5 -27.125  -3.732   2.638
   39   2HG   ARG   5          1HG       ARG   5 -27.184  -2.043   3.142
   40   1HD   ARG   5          2HD       ARG   5 -29.427  -4.061   3.240
   41   2HD   ARG   5          1HD       ARG   5 -28.582  -3.342   4.608
   42    HE   ARG   5           HE       ARG   5 -29.623  -1.195   3.345
   43   1HH1  ARG   5          1HH1      ARG   5 -31.013  -4.212   4.432
   44   2HH1  ARG   5          2HH1      ARG   5 -32.572  -3.526   4.746
   45   1HH2  ARG   5          1HH2      ARG   5 -31.679  -0.292   3.765
   46   2HH2  ARG   5          2HH2      ARG   5 -32.950  -1.305   4.366
   47    H    ALA   6           H        ALA   6 -27.287  -0.812  -1.751
   48    HA   ALA   6           HA       ALA   6 -25.169  -2.656  -2.351
   49   1HB   ALA   6          1HB       ALA   6 -27.054  -0.951  -3.842
   50   2HB   ALA   6          2HB       ALA   6 -26.496  -2.592  -4.177
   51   3HB   ALA   6          3HB       ALA   6 -25.491  -1.212  -4.619
   52    H    LEU   7           H        LEU   7 -25.544   0.869  -2.262
   53    HA   LEU   7           HA       LEU   7 -22.946   1.436  -3.189
   54   1HB   LEU   7          2HB       LEU   7 -23.723   3.607  -1.587
   55   2HB   LEU   7          1HB       LEU   7 -23.797   3.483  -3.330
   56    HG   LEU   7           HG       LEU   7 -26.036   2.588  -1.529
   57   1HD1  LEU   7          1HD1      LEU   7 -27.015   4.823  -2.552
   58   2HD1  LEU   7          2HD1      LEU   7 -25.314   5.283  -2.520
   59   3HD1  LEU   7          3HD1      LEU   7 -26.126   4.802  -1.030
   60   1HD2  LEU   7          1HD2      LEU   7 -26.857   1.766  -3.427
   61   2HD2  LEU   7          2HD2      LEU   7 -25.531   2.458  -4.363
   62   3HD2  LEU   7          3HD2      LEU   7 -26.971   3.419  -4.029
   63    H    ILE   8           H        ILE   8 -24.308   0.796  -0.049
   64    HA   ILE   8           HA       ILE   8 -22.050   1.699   1.386
   65    HB   ILE   8           HB       ILE   8 -22.875   0.224   3.266
   66   1HG1  ILE   8          2HG1      ILE   8 -25.466  -0.300   2.541
   67   2HG1  ILE   8          1HG1      ILE   8 -24.579  -0.691   1.074
   68   1HG2  ILE   8          1HG2      ILE   8 -25.191   1.840   2.364
   69   2HG2  ILE   8          2HG2      ILE   8 -23.642   2.661   2.554
   70   3HG2  ILE   8          3HG2      ILE   8 -24.364   1.813   3.921
   71   1HD1  ILE   8          1HD1      ILE   8 -24.150  -1.857   3.808
   72   2HD1  ILE   8          2HD1      ILE   8 -23.128  -2.182   2.408
   73   3HD1  ILE   8          3HD1      ILE   8 -24.822  -2.667   2.392
   74    H    LYS   9           H        LYS   9 -22.983  -1.562   0.226
   75    HA   LYS   9           HA       LYS   9 -20.651  -2.841   1.220
   76   1HB   LYS   9          2HB       LYS   9 -21.564  -4.013  -1.286
   77   2HB   LYS   9          1HB       LYS   9 -21.484  -4.725   0.315
   78   1HG   LYS   9          2HG       LYS   9 -23.643  -3.555   0.831
   79   2HG   LYS   9          1HG       LYS   9 -23.726  -3.130  -0.882
   80   1HD   LYS   9          2HD       LYS   9 -23.263  -5.745  -1.131
   81   2HD   LYS   9          1HD       LYS   9 -24.054  -5.762   0.447
   82   1HE   LYS   9          2HE       LYS   9 -25.898  -4.389  -0.620
   83   2HE   LYS   9          1HE       LYS   9 -25.150  -4.763  -2.173
   84   1HZ   LYS   9          1HZ       LYS   9 -26.917  -6.316  -1.675
   85   2HZ   LYS   9          2HZ       LYS   9 -26.179  -6.747  -0.216
   86   3HZ   LYS   9          3HZ       LYS   9 -25.429  -7.122  -1.685
   87    H    ARG  10           H        ARG  10 -21.137  -0.639  -1.250
   88    HA   ARG  10           HA       ARG  10 -19.110  -1.350  -3.060
   89   1HB   ARG  10          2HB       ARG  10 -21.106   0.547  -2.939
   90   2HB   ARG  10          1HB       ARG  10 -19.652   1.518  -2.773
   91   1HG   ARG  10          2HG       ARG  10 -20.524   1.246  -5.091
   92   2HG   ARG  10          1HG       ARG  10 -18.833   0.803  -4.867
   93   1HD   ARG  10          2HD       ARG  10 -20.047  -0.801  -6.289
   94   2HD   ARG  10          1HD       ARG  10 -19.425  -1.549  -4.820
   95    HE   ARG  10           HE       ARG  10 -22.146  -0.629  -4.615
   96   1HH1  ARG  10          1HH1      ARG  10 -20.069  -3.293  -5.508
   97   2HH1  ARG  10          2HH1      ARG  10 -21.306  -4.485  -5.302
   98   1HH2  ARG  10          1HH2      ARG  10 -23.767  -2.200  -4.347
   99   2HH2  ARG  10          2HH2      ARG  10 -23.403  -3.866  -4.640
  100    H    ILE  11           H        ILE  11 -19.224   1.012  -0.421
  101    HA   ILE  11           HA       ILE  11 -16.546   1.775  -0.509
  102    HB   ILE  11           HB       ILE  11 -18.219   1.439   1.979
  103   1HG1  ILE  11          2HG1      ILE  11 -18.115   4.148   1.144
  104   2HG1  ILE  11          1HG1      ILE  11 -18.562   3.195  -0.267
  105   1HG2  ILE  11          1HG2      ILE  11 -16.741   2.831   3.089
  106   2HG2  ILE  11          2HG2      ILE  11 -16.081   3.496   1.594
  107   3HG2  ILE  11          3HG2      ILE  11 -15.665   1.855   2.091
  108   1HD1  ILE  11          1HD1      ILE  11 -20.635   3.070   0.478
  109   2HD1  ILE  11          2HD1      ILE  11 -20.186   4.025   1.890
  110   3HD1  ILE  11          3HD1      ILE  11 -20.077   2.266   1.944
  111    H    GLN  12           H        GLN  12 -18.207  -0.964   0.825
  112    HA   GLN  12           HA       GLN  12 -16.283  -2.146   2.431
  113   1HB   GLN  12          2HB       GLN  12 -17.980  -3.589   2.628
  114   2HB   GLN  12          1HB       GLN  12 -18.768  -2.851   1.247
  115   1HG   GLN  12          2HG       GLN  12 -18.639  -5.143   0.773
  116   2HG   GLN  12          1HG       GLN  12 -17.387  -4.383  -0.208
  117   1HE2  GLN  12          1HE2      GLN  12 -17.617  -5.496   3.161
  118   2HE2  GLN  12          2HE2      GLN  12 -16.186  -6.463   3.117
  119    H    ALA  13           H        ALA  13 -16.566  -2.158  -1.075
  120    HA   ALA  13           HA       ALA  13 -14.339  -4.008  -1.336
  121   1HB   ALA  13          1HB       ALA  13 -15.850  -4.556  -2.933
  122   2HB   ALA  13          2HB       ALA  13 -14.837  -3.456  -3.866
  123   3HB   ALA  13          3HB       ALA  13 -16.361  -2.887  -3.185
  124    H    MET  14           H        MET  14 -14.700  -0.579  -1.330
  125    HA   MET  14           HA       MET  14 -12.274  -0.193  -2.885
  126   1HB   MET  14          2HB       MET  14 -12.725   2.300  -2.293
  127   2HB   MET  14          1HB       MET  14 -13.690   1.483  -3.509
  128   1HG   MET  14          2HG       MET  14 -15.466   2.191  -2.421
  129   2HG   MET  14          1HG       MET  14 -15.065   1.042  -1.152
  130   1HE   MET  14          1HE       MET  14 -12.481   2.807   0.691
  131   2HE   MET  14          2HE       MET  14 -13.541   1.403   0.602
  132   3HE   MET  14          3HE       MET  14 -13.924   2.727   1.700
  133    H    ILE  15           H        ILE  15 -12.723  -1.034   0.188
  134    HA   ILE  15           HA       ILE  15 -10.920   0.757   1.365
  135    HB   ILE  15           HB       ILE  15 -11.120  -0.907   3.414
  136   1HG1  ILE  15          2HG1      ILE  15 -13.836  -1.386   2.435
  137   2HG1  ILE  15          1HG1      ILE  15 -12.610  -2.223   1.489
  138   1HG2  ILE  15          1HG2      ILE  15 -13.614   0.586   2.899
  139   2HG2  ILE  15          2HG2      ILE  15 -12.112   1.511   2.854
  140   3HG2  ILE  15          3HG2      ILE  15 -12.546   0.602   4.301
  141   1HD1  ILE  15          1HD1      ILE  15 -11.852  -2.719   4.077
  142   2HD1  ILE  15          2HD1      ILE  15 -12.733  -3.813   3.011
  143   3HD1  ILE  15          3HD1      ILE  15 -13.612  -2.782   4.140
  144    HA   PRO  16           HA       PRO  16  -7.638  -2.677   0.990
  145   1HB   PRO  16          2HB       PRO  16  -7.004  -2.518  -1.723
  146   2HB   PRO  16          1HB       PRO  16  -7.963  -3.778  -0.950
  147   1HG   PRO  16          2HG       PRO  16  -8.835  -1.708  -2.754
  148   2HG   PRO  16          1HG       PRO  16  -9.773  -3.044  -2.076
  149   1HD   PRO  16          2HD       PRO  16  -9.748  -0.231  -1.258
  150   2HD   PRO  16          1HD       PRO  16 -10.857  -1.492  -0.773
  151    H    LYS  17           H        LYS  17  -5.293  -2.445   0.278
  152    HA   LYS  17           HA       LYS  17  -3.767  -0.612  -0.794
  153   1HB   LYS  17          2HB       LYS  17  -5.196   0.760   1.442
  154   2HB   LYS  17          1HB       LYS  17  -3.505   1.161   1.174
  155   1HG   LYS  17          2HG       LYS  17  -5.374   1.198  -1.145
  156   2HG   LYS  17          1HG       LYS  17  -5.416   2.525   0.017
  157   1HD   LYS  17          2HD       LYS  17  -3.714   3.437  -1.088
  158   2HD   LYS  17          1HD       LYS  17  -2.708   2.108  -0.509
  159   1HE   LYS  17          2HE       LYS  17  -2.496   1.324  -2.577
  160   2HE   LYS  17          1HE       LYS  17  -4.247   1.211  -2.746
  161   1HZ   LYS  17          1HZ       LYS  17  -2.709   2.799  -4.233
  162   2HZ   LYS  17          2HZ       LYS  17  -3.141   3.878  -3.005
  163   3HZ   LYS  17          3HZ       LYS  17  -4.341   3.109  -3.915
  164    H    GLY  18           H        GLY  18  -1.597  -0.192   0.207
  165   1HA   GLY  18          2HA       GLY  18  -0.982  -1.491   2.695
  166   2HA   GLY  18          1HA       GLY  18  -0.527  -2.473   1.319
  167    H    GLY  19           H        GLY  19   1.202  -1.783  -0.031
  168   1HA   GLY  19          2HA       GLY  19   2.974  -0.222  -0.625
  169   2HA   GLY  19          1HA       GLY  19   2.808   0.504   0.964
  170    H    ARG  20           H        ARG  20   5.353  -0.098   0.079
  171    HA   ARG  20           HA       ARG  20   6.871  -1.120   1.892
  172   1HB   ARG  20          2HB       ARG  20   5.443  -3.083   2.265
  173   2HB   ARG  20          1HB       ARG  20   5.701  -3.603   0.605
  174   1HG   ARG  20          2HG       ARG  20   7.370  -4.837   1.402
  175   2HG   ARG  20          1HG       ARG  20   8.260  -3.326   1.598
  176   1HD   ARG  20          2HD       ARG  20   6.588  -3.512   3.836
  177   2HD   ARG  20          1HD       ARG  20   7.245  -5.131   3.602
  178    HE   ARG  20           HE       ARG  20   9.365  -3.350   3.389
  179   1HH1  ARG  20          1HH1      ARG  20   7.071  -4.368   5.818
  180   2HH1  ARG  20          2HH1      ARG  20   8.145  -4.056   7.141
  181   1HH2  ARG  20          1HH2      ARG  20  10.778  -2.944   5.123
  182   2HH2  ARG  20          2HH2      ARG  20  10.252  -3.247   6.746
  183    H    MET  21           H        MET  21   7.929   0.276   0.292
  184    HA   MET  21           HA       MET  21   8.749  -0.705  -2.232
  185   1HB   MET  21          2HB       MET  21  10.277   1.217  -2.275
  186   2HB   MET  21          1HB       MET  21   8.649   1.673  -1.794
  187   1HG   MET  21          2HG       MET  21   9.584   1.356   0.619
  188   2HG   MET  21          1HG       MET  21  11.144   1.566  -0.176
  189   1HE   MET  21          1HE       MET  21   9.733   4.181  -2.515
  190   2HE   MET  21          2HE       MET  21  11.161   3.205  -2.174
  191   3HE   MET  21          3HE       MET  21  11.127   4.908  -1.717
  192    H    LEU  22           H        LEU  22  10.446  -0.471   0.843
  193    HA   LEU  22           HA       LEU  22  11.971  -2.035   1.710
  194   1HB   LEU  22          2HB       LEU  22  11.335  -3.587  -0.162
  195   2HB   LEU  22          1HB       LEU  22  12.623  -2.864  -1.109
  196    HG   LEU  22           HG       LEU  22  14.189  -3.556   0.791
  197   1HD1  LEU  22          1HD1      LEU  22  11.975  -4.123   2.166
  198   2HD1  LEU  22          2HD1      LEU  22  13.507  -4.958   2.434
  199   3HD1  LEU  22          3HD1      LEU  22  12.259  -5.701   1.433
  200   1HD2  LEU  22          1HD2      LEU  22  14.469  -5.771  -0.132
  201   2HD2  LEU  22          2HD2      LEU  22  14.098  -4.626  -1.422
  202   3HD2  LEU  22          3HD2      LEU  22  12.848  -5.717  -0.823
  203    HA   PRO  23           HA       PRO  23  15.624   0.570   1.259
  204   1HB   PRO  23          2HB       PRO  23  16.890  -0.255   3.423
  205   2HB   PRO  23          1HB       PRO  23  15.355   0.612   3.553
  206   1HG   PRO  23          2HG       PRO  23  15.927  -2.293   3.868
  207   2HG   PRO  23          1HG       PRO  23  14.763  -1.277   4.731
  208   1HD   PRO  23          2HD       PRO  23  14.204  -2.983   2.569
  209   2HD   PRO  23          1HD       PRO  23  13.127  -1.738   3.226
  210    H    GLN  24           H        GLN  24  16.825   0.082  -0.473
  211    HA   GLN  24           HA       GLN  24  18.488  -2.318  -0.480
  212   1HB   GLN  24          2HB       GLN  24  17.208  -1.367  -2.529
  213   2HB   GLN  24          1HB       GLN  24  18.515  -0.196  -2.611
  214   1HG   GLN  24          2HG       GLN  24  19.734  -2.710  -2.361
  215   2HG   GLN  24          1HG       GLN  24  18.436  -2.903  -3.537
  216   1HE2  GLN  24          1HE2      GLN  24  20.176  -3.277  -5.049
  217   2HE2  GLN  24          2HE2      GLN  24  20.975  -1.930  -5.776
  218    H    LEU  25           H        LEU  25  18.647   0.618   0.900
  219    HA   LEU  25           HA       LEU  25  20.899   1.971   0.357
  220   1HB   LEU  25          2HB       LEU  25  19.242   1.705   2.576
  221   2HB   LEU  25          1HB       LEU  25  20.843   1.402   3.196
  222    HG   LEU  25           HG       LEU  25  21.603   3.560   2.263
  223   1HD1  LEU  25          1HD1      LEU  25  19.634   5.165   1.733
  224   2HD1  LEU  25          2HD1      LEU  25  18.762   3.681   1.346
  225   3HD1  LEU  25          3HD1      LEU  25  20.241   4.087   0.476
  226   1HD2  LEU  25          1HD2      LEU  25  19.241   3.676   4.132
  227   2HD2  LEU  25          2HD2      LEU  25  20.406   4.978   3.888
  228   3HD2  LEU  25          3HD2      LEU  25  20.932   3.441   4.577
  229    H    VAL  26           H        VAL  26  20.871  -0.800   2.583
  230    HA   VAL  26           HA       VAL  26  23.600  -0.957   3.070
  231    HB   VAL  26           HB       VAL  26  23.208  -3.520   3.214
  232   1HG1  VAL  26          1HG1      VAL  26  22.090  -1.351   4.897
  233   2HG1  VAL  26          2HG1      VAL  26  23.303  -2.573   5.276
  234   3HG1  VAL  26          3HG1      VAL  26  21.593  -3.002   5.264
  235   1HG2  VAL  26          1HG2      VAL  26  21.069  -3.142   1.742
  236   2HG2  VAL  26          2HG2      VAL  26  20.319  -2.812   3.303
  237   3HG2  VAL  26          3HG2      VAL  26  21.090  -4.370   3.008
  238    H    CYS  27           H        CYS  27  21.890  -1.914   0.181
  239    HA   CYS  27           HA       CYS  27  23.939  -3.536  -0.914
  240   1HB   CYS  27          2HB       CYS  27  21.584  -3.549  -1.698
  241   2HB   CYS  27          1HB       CYS  27  21.834  -1.954  -2.397
  242    HG   CYS  27           HG       CYS  27  23.846  -3.521  -3.722
  243    H    ARG  28           H        ARG  28  23.019  -0.183  -1.779
  244    HA   ARG  28           HA       ARG  28  25.587   0.123  -3.133
  245   1HB   ARG  28          2HB       ARG  28  24.629   1.769  -4.345
  246   2HB   ARG  28          1HB       ARG  28  23.138   1.030  -3.785
  247   1HG   ARG  28          2HG       ARG  28  22.703   3.217  -3.312
  248   2HG   ARG  28          1HG       ARG  28  23.442   2.726  -1.788
  249   1HD   ARG  28          2HD       ARG  28  25.528   3.509  -3.539
  250   2HD   ARG  28          1HD       ARG  28  24.280   4.752  -3.613
  251    HE   ARG  28           HE       ARG  28  24.520   4.450  -0.986
  252   1HH1  ARG  28          1HH1      ARG  28  27.000   4.720  -3.436
  253   2HH1  ARG  28          2HH1      ARG  28  28.138   5.476  -2.372
  254   1HH2  ARG  28          1HH2      ARG  28  26.024   5.451   0.404
  255   2HH2  ARG  28          2HH2      ARG  28  27.587   5.889  -0.200
  256    H    LEU  29           H        LEU  29  24.435   0.684  -0.028
  257    HA   LEU  29           HA       LEU  29  25.941   3.077   0.485
  258   1HB   LEU  29          2HB       LEU  29  23.935   2.821   1.726
  259   2HB   LEU  29          1HB       LEU  29  24.373   1.203   2.236
  260    HG   LEU  29           HG       LEU  29  24.533   3.153   3.935
  261   1HD1  LEU  29          1HD1      LEU  29  25.708   1.722   5.174
  262   2HD1  LEU  29          2HD1      LEU  29  27.088   1.766   4.079
  263   3HD1  LEU  29          3HD1      LEU  29  25.734   0.689   3.746
  264   1HD2  LEU  29          1HD2      LEU  29  26.239   4.184   2.016
  265   2HD2  LEU  29          2HD2      LEU  29  27.326   3.554   3.252
  266   3HD2  LEU  29          3HD2      LEU  29  26.086   4.731   3.683
  267    H    VAL  30           H        VAL  30  26.255  -0.360   1.285
  268    HA   VAL  30           HA       VAL  30  28.481  -0.036   2.935
  269    HB   VAL  30           HB       VAL  30  27.060  -1.994   2.996
  270   1HG1  VAL  30          1HG1      VAL  30  26.665  -3.437   1.319
  271   2HG1  VAL  30          2HG1      VAL  30  28.269  -3.258   0.614
  272   3HG1  VAL  30          3HG1      VAL  30  27.039  -2.021   0.335
  273   1HG2  VAL  30          1HG2      VAL  30  29.155  -3.702   2.549
  274   2HG2  VAL  30          2HG2      VAL  30  28.900  -2.764   4.020
  275   3HG2  VAL  30          3HG2      VAL  30  29.980  -2.157   2.764
  276    H    LEU  31           H        LEU  31  28.877  -1.819  -0.082
  277    HA   LEU  31           HA       LEU  31  30.781  -2.056  -1.358
  278   1HB   LEU  31          2HB       LEU  31  29.108  -0.460  -2.404
  279   2HB   LEU  31          1HB       LEU  31  30.137   0.844  -1.851
  280    HG   LEU  31           HG       LEU  31  30.275  -0.221  -4.315
  281   1HD1  LEU  31          1HD1      LEU  31  31.597   1.684  -2.949
  282   2HD1  LEU  31          2HD1      LEU  31  31.978   1.211  -4.604
  283   3HD1  LEU  31          3HD1      LEU  31  32.908   0.548  -3.261
  284   1HD2  LEU  31          1HD2      LEU  31  31.008  -2.426  -3.360
  285   2HD2  LEU  31          2HD2      LEU  31  32.500  -1.630  -2.856
  286   3HD2  LEU  31          3HD2      LEU  31  32.090  -1.732  -4.568
  287    H    ARG  32           H        ARG  32  31.711  -1.748   1.121
  288    HA   ARG  32           HA       ARG  32  33.336   0.374   1.770
  289   1HB   ARG  32          2HB       ARG  32  34.243  -0.950   3.373
  290   2HB   ARG  32          1HB       ARG  32  32.914  -2.004   2.917
  291   1HG   ARG  32          2HG       ARG  32  34.591  -3.067   1.285
  292   2HG   ARG  32          1HG       ARG  32  35.821  -2.241   2.243
  293   1HD   ARG  32          2HD       ARG  32  33.722  -4.047   3.424
  294   2HD   ARG  32          1HD       ARG  32  35.313  -4.616   2.920
  295    HE   ARG  32           HE       ARG  32  34.689  -3.291   5.338
  296   1HH1  ARG  32          1HH1      ARG  32  37.171  -3.423   2.893
  297   2HH1  ARG  32          2HH1      ARG  32  38.441  -2.983   3.980
  298   1HH2  ARG  32          1HH2      ARG  32  36.367  -2.729   6.773
  299   2HH2  ARG  32          2HH2      ARG  32  37.989  -2.596   6.178
  300    H    CYS  33           H        CYS  33  33.736  -1.799  -0.864
  301    HA   CYS  33           HA       CYS  33  35.147  -1.677  -2.651
  302   1HB   CYS  33          2HB       CYS  33  35.752   0.771  -1.282
  303   2HB   CYS  33          1HB       CYS  33  37.233   0.060  -1.896
  304    HG   CYS  33           HG       CYS  33  36.615   0.850  -4.122
  305    H    SER  34           H        SER  34  36.757  -1.481   0.457
  306    HA   SER  34           HA       SER  34  38.978  -3.052  -0.443
  307   1HB   SER  34          2HB       SER  34  38.208  -1.738   2.114
  308   2HB   SER  34          1HB       SER  34  39.328  -3.097   2.213
  309    HG   SER  34           HG       SER  34  40.771  -2.008   0.958
  Start of MODEL    7
    1   1H    CYS   1          1HT       CYS   1 -37.518  -0.804   0.023
    2   2H    CYS   1          2HT       CYS   1 -39.152  -0.314  -0.164
    3   3H    CYS   1          3HT       CYS   1 -38.055   0.666   0.723
    4    HA   CYS   1           HA       CYS   1 -38.158   0.154  -2.162
    5   1HB   CYS   1          2HB       CYS   1 -38.645   2.408  -0.288
    6   2HB   CYS   1          1HB       CYS   1 -37.894   2.808  -1.828
    7    HG   CYS   1           HG       CYS   1 -40.601   1.289  -1.816
    8    H    TRP   2           H        TRP   2 -36.097   0.622   0.529
    9    HA   TRP   2           HA       TRP   2 -33.886   1.929  -0.578
   10   1HB   TRP   2          2HB       TRP   2 -32.627   0.339   1.128
   11   2HB   TRP   2          1HB       TRP   2 -33.610   1.671   1.686
   12    HD1  TRP   2           HD       TRP   2 -35.796   1.065   3.082
   13    HE1  TRP   2           1HE      TRP   2 -36.731  -1.149   4.008
   14    HE3  TRP   2           3HE      TRP   2 -32.769  -2.201   0.577
   15    HZ2  TRP   2           2HZ      TRP   2 -36.247  -3.922   3.707
   16    HZ3  TRP   2           3HZ      TRP   2 -33.061  -4.615   0.945
   17    HH2  TRP   2           HH       TRP   2 -34.765  -5.459   2.477
   18    H    LEU   3           H        LEU   3 -31.706   0.734  -0.621
   19    HA   LEU   3           HA       LEU   3 -31.283  -1.813  -1.348
   20   1HB   LEU   3          2HB       LEU   3 -32.876  -0.976  -3.314
   21   2HB   LEU   3          1HB       LEU   3 -31.351  -0.422  -3.968
   22    HG   LEU   3           HG       LEU   3 -30.924  -3.057  -3.072
   23   1HD1  LEU   3          1HD1      LEU   3 -32.654  -4.341  -3.717
   24   2HD1  LEU   3          2HD1      LEU   3 -33.050  -3.307  -5.090
   25   3HD1  LEU   3          3HD1      LEU   3 -33.593  -2.870  -3.470
   26   1HD2  LEU   3          1HD2      LEU   3 -30.041  -1.593  -5.053
   27   2HD2  LEU   3          2HD2      LEU   3 -31.341  -2.386  -5.945
   28   3HD2  LEU   3          3HD2      LEU   3 -30.080  -3.353  -5.182
   29    H    CYS   4           H        CYS   4 -30.584   1.456  -2.400
   30    HA   CYS   4           HA       CYS   4 -28.057   1.323  -3.354
   31   1HB   CYS   4          2HB       CYS   4 -29.666   3.334  -2.057
   32   2HB   CYS   4          1HB       CYS   4 -27.971   3.521  -1.626
   33    HG   CYS   4           HG       CYS   4 -29.152   3.899  -4.449
   34    H    ARG   5           H        ARG   5 -29.007   0.603  -0.119
   35    HA   ARG   5           HA       ARG   5 -26.639   1.084   1.276
   36   1HB   ARG   5          2HB       ARG   5 -29.058  -0.005   1.914
   37   2HB   ARG   5          1HB       ARG   5 -28.014  -1.418   2.002
   38   1HG   ARG   5          2HG       ARG   5 -26.712  -0.499   3.710
   39   2HG   ARG   5          1HG       ARG   5 -27.307   1.134   3.402
   40   1HD   ARG   5          2HD       ARG   5 -28.852  -1.175   4.576
   41   2HD   ARG   5          1HD       ARG   5 -28.333   0.288   5.413
   42    HE   ARG   5           HE       ARG   5 -29.872   1.226   3.384
   43   1HH1  ARG   5          1HH1      ARG   5 -30.390  -1.154   5.883
   44   2HH1  ARG   5          2HH1      ARG   5 -32.092  -0.853   5.991
   45   1HH2  ARG   5          1HH2      ARG   5 -32.111   1.621   3.520
   46   2HH2  ARG   5          2HH2      ARG   5 -33.069   0.723   4.650
   47    H    ALA   6           H        ALA   6 -27.226  -1.220  -1.185
   48    HA   ALA   6           HA       ALA   6 -25.165  -3.048  -0.366
   49   1HB   ALA   6          1HB       ALA   6 -26.321  -2.923  -3.126
   50   2HB   ALA   6          2HB       ALA   6 -27.259  -3.557  -1.773
   51   3HB   ALA   6          3HB       ALA   6 -25.733  -4.322  -2.227
   52    H    LEU   7           H        LEU   7 -25.463  -0.412  -2.716
   53    HA   LEU   7           HA       LEU   7 -22.925  -0.820  -3.890
   54   1HB   LEU   7          2HB       LEU   7 -23.487   1.913  -4.146
   55   2HB   LEU   7          1HB       LEU   7 -23.692   0.657  -5.345
   56    HG   LEU   7           HG       LEU   7 -25.828   1.377  -3.354
   57   1HD1  LEU   7          1HD1      LEU   7 -26.796   2.433  -5.564
   58   2HD1  LEU   7          2HD1      LEU   7 -25.085   2.622  -5.942
   59   3HD1  LEU   7          3HD1      LEU   7 -25.753   3.355  -4.484
   60   1HD2  LEU   7          1HD2      LEU   7 -26.981  -0.299  -4.257
   61   2HD2  LEU   7          2HD2      LEU   7 -25.539  -0.753  -5.163
   62   3HD2  LEU   7          3HD2      LEU   7 -26.720   0.343  -5.878
   63    H    ILE   8           H        ILE   8 -23.994   0.792  -1.009
   64    HA   ILE   8           HA       ILE   8 -21.583   2.269  -0.778
   65    HB   ILE   8           HB       ILE   8 -22.274   2.537   1.680
   66   1HG1  ILE   8          2HG1      ILE   8 -25.044   2.105   1.244
   67   2HG1  ILE   8          1HG1      ILE   8 -24.204   0.621   0.817
   68   1HG2  ILE   8          1HG2      ILE   8 -24.427   3.605  -0.048
   69   2HG2  ILE   8          2HG2      ILE   8 -22.763   4.006  -0.475
   70   3HG2  ILE   8          3HG2      ILE   8 -23.390   4.428   1.118
   71   1HD1  ILE   8          1HD1      ILE   8 -23.499   1.955   3.371
   72   2HD1  ILE   8          2HD1      ILE   8 -23.497   0.242   2.950
   73   3HD1  ILE   8          3HD1      ILE   8 -25.021   1.074   3.264
   74    H    LYS   9           H        LYS   9 -22.752  -0.754   0.719
   75    HA   LYS   9           HA       LYS   9 -20.454  -1.163   2.284
   76   1HB   LYS   9          2HB       LYS   9 -21.068  -3.608   2.187
   77   2HB   LYS   9          1HB       LYS   9 -22.323  -2.534   2.778
   78   1HG   LYS   9          2HG       LYS   9 -23.308  -2.584   0.466
   79   2HG   LYS   9          1HG       LYS   9 -22.152  -3.867   0.090
   80   1HD   LYS   9          2HD       LYS   9 -23.093  -4.971   2.253
   81   2HD   LYS   9          1HD       LYS   9 -24.460  -3.888   1.995
   82   1HE   LYS   9          2HE       LYS   9 -23.901  -5.075  -0.495
   83   2HE   LYS   9          1HE       LYS   9 -23.833  -6.369   0.701
   84   1HZ   LYS   9          1HZ       LYS   9 -26.076  -4.485   0.800
   85   2HZ   LYS   9          2HZ       LYS   9 -26.022  -6.114   1.241
   86   3HZ   LYS   9          3HZ       LYS   9 -26.085  -5.684  -0.393
   87    H    ARG  10           H        ARG  10 -20.961  -1.346  -1.074
   88    HA   ARG  10           HA       ARG  10 -18.921  -3.152  -1.794
   89   1HB   ARG  10          2HB       ARG  10 -20.567  -1.123  -3.164
   90   2HB   ARG  10          1HB       ARG  10 -18.989  -1.388  -3.889
   91   1HG   ARG  10          2HG       ARG  10 -19.820  -3.140  -4.925
   92   2HG   ARG  10          1HG       ARG  10 -20.011  -3.922  -3.358
   93   1HD   ARG  10          2HD       ARG  10 -22.164  -2.154  -3.634
   94   2HD   ARG  10          1HD       ARG  10 -22.020  -2.987  -5.174
   95    HE   ARG  10           HE       ARG  10 -22.577  -4.206  -2.570
   96   1HH1  ARG  10          1HH1      ARG  10 -22.205  -4.569  -6.029
   97   2HH1  ARG  10          2HH1      ARG  10 -22.951  -6.130  -6.064
   98   1HH2  ARG  10          1HH2      ARG  10 -23.547  -6.258  -2.626
   99   2HH2  ARG  10          2HH2      ARG  10 -23.708  -7.086  -4.140
  100    H    ILE  11           H        ILE  11 -19.003   0.396  -1.761
  101    HA   ILE  11           HA       ILE  11 -16.312   0.899  -2.222
  102    HB   ILE  11           HB       ILE  11 -18.003   2.417  -0.228
  103   1HG1  ILE  11          2HG1      ILE  11 -17.971   2.580  -3.247
  104   2HG1  ILE  11          1HG1      ILE  11 -19.334   2.150  -2.222
  105   1HG2  ILE  11          1HG2      ILE  11 -16.501   4.087  -0.342
  106   2HG2  ILE  11          2HG2      ILE  11 -16.185   3.829  -2.058
  107   3HG2  ILE  11          3HG2      ILE  11 -15.406   2.802  -0.853
  108   1HD1  ILE  11          1HD1      ILE  11 -18.698   4.622  -1.283
  109   2HD1  ILE  11          2HD1      ILE  11 -19.935   4.276  -2.492
  110   3HD1  ILE  11          3HD1      ILE  11 -18.320   4.769  -2.999
  111    H    GLN  12           H        GLN  12 -18.005  -0.217   0.599
  112    HA   GLN  12           HA       GLN  12 -16.045   0.147   2.578
  113   1HB   GLN  12          2HB       GLN  12 -17.734  -0.679   3.793
  114   2HB   GLN  12          1HB       GLN  12 -18.580  -1.104   2.315
  115   1HG   GLN  12          2HG       GLN  12 -18.481  -3.064   3.605
  116   2HG   GLN  12          1HG       GLN  12 -17.284  -3.264   2.326
  117   1HE2  GLN  12          1HE2      GLN  12 -16.282  -4.848   3.649
  118   2HE2  GLN  12          2HE2      GLN  12 -15.258  -4.382   4.961
  119    H    ALA  13           H        ALA  13 -16.404  -2.256   0.074
  120    HA   ALA  13           HA       ALA  13 -14.285  -3.914   1.179
  121   1HB   ALA  13          1HB       ALA  13 -15.411  -4.436  -1.518
  122   2HB   ALA  13          2HB       ALA  13 -16.469  -4.631  -0.119
  123   3HB   ALA  13          3HB       ALA  13 -14.974  -5.562  -0.232
  124    H    MET  14           H        MET  14 -14.482  -1.258  -0.954
  125    HA   MET  14           HA       MET  14 -12.133  -2.018  -2.503
  126   1HB   MET  14          2HB       MET  14 -13.404   0.689  -2.627
  127   2HB   MET  14          1HB       MET  14 -12.598  -0.217  -3.899
  128   1HG   MET  14          2HG       MET  14 -14.476  -1.739  -4.044
  129   2HG   MET  14          1HG       MET  14 -15.271  -0.910  -2.707
  130   1HE   MET  14          1HE       MET  14 -14.596  -1.322  -6.208
  131   2HE   MET  14          2HE       MET  14 -13.756   0.210  -6.450
  132   3HE   MET  14          3HE       MET  14 -15.393  -0.004  -7.068
  133    H    ILE  15           H        ILE  15 -12.657  -0.498   0.440
  134    HA   ILE  15           HA       ILE  15 -11.007   1.527   0.552
  135    HB   ILE  15           HB       ILE  15 -10.523   0.330   3.017
  136   1HG1  ILE  15          2HG1      ILE  15 -13.465   0.385   2.450
  137   2HG1  ILE  15          1HG1      ILE  15 -12.536  -1.055   2.055
  138   1HG2  ILE  15          1HG2      ILE  15 -11.219   2.293   3.825
  139   2HG2  ILE  15          2HG2      ILE  15 -12.691   2.295   2.854
  140   3HG2  ILE  15          3HG2      ILE  15 -11.162   2.806   2.139
  141   1HD1  ILE  15          1HD1      ILE  15 -12.331   0.134   4.778
  142   2HD1  ILE  15          2HD1      ILE  15 -12.084  -1.532   4.255
  143   3HD1  ILE  15          3HD1      ILE  15 -13.715  -0.869   4.348
  144    HA   PRO  16           HA       PRO  16  -7.342  -1.473   1.927
  145   1HB   PRO  16          2HB       PRO  16  -7.928  -3.090  -0.500
  146   2HB   PRO  16          1HB       PRO  16  -7.413  -3.609   1.108
  147   1HG   PRO  16          2HG       PRO  16  -9.988  -3.820   0.308
  148   2HG   PRO  16          1HG       PRO  16  -9.549  -3.476   1.992
  149   1HD   PRO  16          2HD       PRO  16 -10.669  -1.610  -0.059
  150   2HD   PRO  16          1HD       PRO  16 -10.804  -1.509   1.670
  151    H    LYS  17           H        LYS  17  -5.235  -1.714   1.126
  152    HA   LYS  17           HA       LYS  17  -3.858  -1.513  -1.079
  153   1HB   LYS  17          2HB       LYS  17  -5.315   1.064  -0.828
  154   2HB   LYS  17          1HB       LYS  17  -3.614   1.187  -1.247
  155   1HG   LYS  17          2HG       LYS  17  -4.323  -0.681  -3.011
  156   2HG   LYS  17          1HG       LYS  17  -5.883   0.122  -2.823
  157   1HD   LYS  17          2HD       LYS  17  -4.926   1.312  -4.562
  158   2HD   LYS  17          1HD       LYS  17  -4.511   2.303  -3.163
  159   1HE   LYS  17          2HE       LYS  17  -2.334   2.022  -3.522
  160   2HE   LYS  17          1HE       LYS  17  -2.514   0.271  -3.615
  161   1HZ   LYS  17          1HZ       LYS  17  -1.860   0.634  -5.725
  162   2HZ   LYS  17          2HZ       LYS  17  -2.392   2.240  -5.750
  163   3HZ   LYS  17          3HZ       LYS  17  -3.499   0.980  -5.974
  164    H    GLY  18           H        GLY  18  -1.632  -0.574  -0.901
  165   1HA   GLY  18          2HA       GLY  18  -0.850   0.783   1.481
  166   2HA   GLY  18          1HA       GLY  18  -0.569  -0.938   1.646
  167    H    GLY  19           H        GLY  19   1.059  -1.935   0.390
  168   1HA   GLY  19          2HA       GLY  19   3.118  -2.077  -0.686
  169   2HA   GLY  19          1HA       GLY  19   2.669  -0.623  -1.558
  170    H    ARG  20           H        ARG  20   5.300  -1.303  -0.668
  171    HA   ARG  20           HA       ARG  20   6.704   0.716  -0.065
  172   1HB   ARG  20          2HB       ARG  20   5.199   1.745   1.492
  173   2HB   ARG  20          1HB       ARG  20   5.141   0.299   2.491
  174   1HG   ARG  20          2HG       ARG  20   7.834   1.365   2.145
  175   2HG   ARG  20          1HG       ARG  20   6.720   2.492   2.922
  176   1HD   ARG  20          2HD       ARG  20   6.939   1.383   4.833
  177   2HD   ARG  20          1HD       ARG  20   6.294  -0.066   4.066
  178    HE   ARG  20           HE       ARG  20   9.090   0.393   3.558
  179   1HH1  ARG  20          1HH1      ARG  20   6.767  -1.055   5.722
  180   2HH1  ARG  20          2HH1      ARG  20   7.885  -2.224   6.339
  181   1HH2  ARG  20          1HH2      ARG  20  10.558  -1.145   4.362
  182   2HH2  ARG  20          2HH2      ARG  20  10.037  -2.277   5.565
  183    H    MET  21           H        MET  21   8.104  -1.011  -0.697
  184    HA   MET  21           HA       MET  21   8.859  -2.919   1.374
  185   1HB   MET  21          2HB       MET  21  10.477  -3.693  -0.532
  186   2HB   MET  21          1HB       MET  21   8.770  -4.103  -0.588
  187   1HG   MET  21          2HG       MET  21   9.594  -1.590  -1.912
  188   2HG   MET  21          1HG       MET  21  10.093  -3.105  -2.662
  189   1HE   MET  21          1HE       MET  21   6.893  -1.497  -4.520
  190   2HE   MET  21          2HE       MET  21   8.606  -1.199  -4.229
  191   3HE   MET  21          3HE       MET  21   7.395  -0.506  -3.150
  192    H    LEU  22           H        LEU  22  10.354  -0.419  -0.572
  193    HA   LEU  22           HA       LEU  22  12.239   0.854  -0.321
  194   1HB   LEU  22          2HB       LEU  22  11.063   1.598   1.644
  195   2HB   LEU  22          1HB       LEU  22  11.684   0.250   2.575
  196    HG   LEU  22           HG       LEU  22  13.761   1.973   1.393
  197   1HD1  LEU  22          1HD1      LEU  22  12.166   3.050   3.704
  198   2HD1  LEU  22          2HD1      LEU  22  11.896   3.564   2.039
  199   3HD1  LEU  22          3HD1      LEU  22  13.461   3.841   2.804
  200   1HD2  LEU  22          1HD2      LEU  22  14.202   1.807   4.071
  201   2HD2  LEU  22          2HD2      LEU  22  14.767   0.630   2.887
  202   3HD2  LEU  22          3HD2      LEU  22  13.275   0.336   3.779
  203    HA   PRO  23           HA       PRO  23  15.498  -2.360   0.212
  204   1HB   PRO  23          2HB       PRO  23  15.989  -2.814  -2.372
  205   2HB   PRO  23          1HB       PRO  23  14.554  -3.487  -1.587
  206   1HG   PRO  23          2HG       PRO  23  14.746  -1.333  -3.582
  207   2HG   PRO  23          1HG       PRO  23  13.345  -2.311  -3.119
  208   1HD   PRO  23          2HD       PRO  23  14.111   0.360  -2.199
  209   2HD   PRO  23          1HD       PRO  23  12.579  -0.510  -1.960
  210    H    GLN  24           H        GLN  24  16.286   0.155   0.813
  211    HA   GLN  24           HA       GLN  24  18.189   1.109  -1.172
  212   1HB   GLN  24          2HB       GLN  24  16.831   2.750  -0.012
  213   2HB   GLN  24          1HB       GLN  24  17.414   2.173   1.542
  214   1HG   GLN  24          2HG       GLN  24  19.454   3.094  -0.391
  215   2HG   GLN  24          1HG       GLN  24  18.404   4.318   0.322
  216   1HE2  GLN  24          1HE2      GLN  24  18.103   3.918   2.790
  217   2HE2  GLN  24          2HE2      GLN  24  19.570   3.670   3.668
  218    H    LEU  25           H        LEU  25  18.305  -1.155   1.277
  219    HA   LEU  25           HA       LEU  25  20.565  -0.691   2.729
  220   1HB   LEU  25          2HB       LEU  25  18.921  -2.875   2.283
  221   2HB   LEU  25          1HB       LEU  25  20.500  -3.458   1.852
  222    HG   LEU  25           HG       LEU  25  20.551  -4.007   4.023
  223   1HD1  LEU  25          1HD1      LEU  25  22.266  -2.200   3.574
  224   2HD1  LEU  25          2HD1      LEU  25  21.900  -2.559   5.259
  225   3HD1  LEU  25          3HD1      LEU  25  21.216  -1.124   4.495
  226   1HD2  LEU  25          1HD2      LEU  25  19.431  -2.371   5.760
  227   2HD2  LEU  25          2HD2      LEU  25  18.476  -3.543   4.853
  228   3HD2  LEU  25          3HD2      LEU  25  18.524  -1.857   4.337
  229    H    VAL  26           H        VAL  26  20.836  -3.095   0.146
  230    HA   VAL  26           HA       VAL  26  23.538  -3.139  -0.020
  231    HB   VAL  26           HB       VAL  26  21.750  -3.387  -2.439
  232   1HG1  VAL  26          1HG1      VAL  26  24.548  -4.207  -1.814
  233   2HG1  VAL  26          2HG1      VAL  26  23.887  -3.487  -3.281
  234   3HG1  VAL  26          3HG1      VAL  26  23.584  -5.185  -2.918
  235   1HG2  VAL  26          1HG2      VAL  26  20.723  -4.923  -1.128
  236   2HG2  VAL  26          2HG2      VAL  26  22.127  -5.130  -0.080
  237   3HG2  VAL  26          3HG2      VAL  26  22.079  -5.917  -1.658
  238    H    CYS  27           H        CYS  27  21.412  -0.762  -1.461
  239    HA   CYS  27           HA       CYS  27  23.075   0.367  -3.354
  240   1HB   CYS  27          2HB       CYS  27  20.695   0.966  -2.999
  241   2HB   CYS  27          1HB       CYS  27  21.158   1.868  -1.562
  242    HG   CYS  27           HG       CYS  27  22.714   3.187  -3.550
  243    H    ARG  28           H        ARG  28  22.553   1.963  -0.204
  244    HA   ARG  28           HA       ARG  28  25.212   3.125  -0.443
  245   1HB   ARG  28          2HB       ARG  28  23.497   4.682   0.108
  246   2HB   ARG  28          1HB       ARG  28  22.902   3.665   1.412
  247   1HG   ARG  28          2HG       ARG  28  24.166   5.651   2.180
  248   2HG   ARG  28          1HG       ARG  28  24.829   4.118   2.744
  249   1HD   ARG  28          2HD       ARG  28  26.224   4.427   0.454
  250   2HD   ARG  28          1HD       ARG  28  25.966   6.116   0.886
  251    HE   ARG  28           HE       ARG  28  26.878   4.884   3.176
  252   1HH1  ARG  28          1HH1      ARG  28  28.054   5.389  -0.072
  253   2HH1  ARG  28          2HH1      ARG  28  29.721   5.378   0.394
  254   1HH2  ARG  28          1HH2      ARG  28  29.097   4.854   3.781
  255   2HH2  ARG  28          2HH2      ARG  28  30.310   5.073   2.564
  256    H    LEU  29           H        LEU  29  24.133   0.281   0.848
  257    HA   LEU  29           HA       LEU  29  25.646   0.443   3.312
  258   1HB   LEU  29          2HB       LEU  29  23.608  -0.821   3.389
  259   2HB   LEU  29          1HB       LEU  29  24.128  -1.829   2.048
  260    HG   LEU  29           HG       LEU  29  26.124  -2.401   3.695
  261   1HD1  LEU  29          1HD1      LEU  29  24.710  -0.742   5.332
  262   2HD1  LEU  29          2HD1      LEU  29  25.858  -1.969   5.863
  263   3HD1  LEU  29          3HD1      LEU  29  24.133  -2.335   5.826
  264   1HD2  LEU  29          1HD2      LEU  29  23.629  -3.769   4.474
  265   2HD2  LEU  29          2HD2      LEU  29  25.163  -4.430   3.907
  266   3HD2  LEU  29          3HD2      LEU  29  24.014  -3.755   2.754
  267    H    VAL  30           H        VAL  30  26.072  -0.957   0.092
  268    HA   VAL  30           HA       VAL  30  28.399  -2.395   0.976
  269    HB   VAL  30           HB       VAL  30  27.016  -3.397  -0.718
  270   1HG1  VAL  30          1HG1      VAL  30  27.746  -1.691  -2.961
  271   2HG1  VAL  30          2HG1      VAL  30  26.714  -0.891  -1.772
  272   3HG1  VAL  30          3HG1      VAL  30  26.195  -2.402  -2.517
  273   1HG2  VAL  30          1HG2      VAL  30  29.823  -2.666  -1.441
  274   2HG2  VAL  30          2HG2      VAL  30  28.850  -3.600  -2.577
  275   3HG2  VAL  30          3HG2      VAL  30  29.151  -4.223  -0.955
  276    H    LEU  31           H        LEU  31  28.426  -0.347  -1.885
  277    HA   LEU  31           HA       LEU  31  30.286   0.777  -2.725
  278   1HB   LEU  31          2HB       LEU  31  28.407   2.286  -1.717
  279   2HB   LEU  31          1HB       LEU  31  29.604   2.645  -0.487
  280    HG   LEU  31           HG       LEU  31  29.496   4.317  -2.341
  281   1HD1  LEU  31          1HD1      LEU  31  32.142   2.890  -2.202
  282   2HD1  LEU  31          2HD1      LEU  31  31.516   3.922  -0.917
  283   3HD1  LEU  31          3HD1      LEU  31  31.854   4.602  -2.509
  284   1HD2  LEU  31          1HD2      LEU  31  29.256   2.257  -4.020
  285   2HD2  LEU  31          2HD2      LEU  31  31.003   2.483  -4.110
  286   3HD2  LEU  31          3HD2      LEU  31  29.920   3.815  -4.515
  287    H    ARG  32           H        ARG  32  31.443  -1.076  -1.486
  288    HA   ARG  32           HA       ARG  32  33.748   0.171  -0.288
  289   1HB   ARG  32          2HB       ARG  32  32.508  -0.007   1.714
  290   2HB   ARG  32          1HB       ARG  32  31.901  -1.603   1.294
  291   1HG   ARG  32          2HG       ARG  32  34.794  -1.524   1.454
  292   2HG   ARG  32          1HG       ARG  32  34.012  -1.039   2.961
  293   1HD   ARG  32          2HD       ARG  32  33.308  -3.122   3.386
  294   2HD   ARG  32          1HD       ARG  32  32.762  -3.360   1.723
  295    HE   ARG  32           HE       ARG  32  34.627  -4.622   1.442
  296   1HH1  ARG  32          1HH1      ARG  32  35.382  -2.167   3.818
  297   2HH1  ARG  32          2HH1      ARG  32  37.022  -2.684   4.005
  298   1HH2  ARG  32          1HH2      ARG  32  36.788  -5.291   1.695
  299   2HH2  ARG  32          2HH2      ARG  32  37.818  -4.455   2.808
  300    H    CYS  33           H        CYS  33  34.395  -0.766  -2.371
  301    HA   CYS  33           HA       CYS  33  34.844  -3.662  -2.276
  302   1HB   CYS  33          2HB       CYS  33  34.572  -1.645  -4.407
  303   2HB   CYS  33          1HB       CYS  33  35.802  -2.865  -4.685
  304    HG   CYS  33           HG       CYS  33  34.041  -4.630  -4.932
  305    H    SER  34           H        SER  34  36.404  -0.631  -2.946
  306    HA   SER  34           HA       SER  34  38.846  -1.515  -1.662
  307   1HB   SER  34          2HB       SER  34  38.674  -1.903  -4.373
  308   2HB   SER  34          1HB       SER  34  39.468  -0.333  -4.272
  309    HG   SER  34           HG       SER  34  41.083  -1.252  -3.037
  Start of MODEL    8
    1   1H    CYS   1          1HT       CYS   1 -37.465  -0.463   0.054
    2   2H    CYS   1          2HT       CYS   1 -39.126  -0.092  -0.166
    3   3H    CYS   1          3HT       CYS   1 -38.386   0.149   1.364
    4    HA   CYS   1           HA       CYS   1 -38.100   1.669  -1.113
    5   1HB   CYS   1          2HB       CYS   1 -39.036   2.056   1.674
    6   2HB   CYS   1          1HB       CYS   1 -38.175   3.412   0.953
    7    HG   CYS   1           HG       CYS   1 -41.002   2.584   0.315
    8    H    TRP   2           H        TRP   2 -35.933   0.245  -0.965
    9    HA   TRP   2           HA       TRP   2 -33.833   2.101  -0.540
   10   1HB   TRP   2          2HB       TRP   2 -32.635   0.380   1.072
   11   2HB   TRP   2          1HB       TRP   2 -33.631   1.664   1.704
   12    HD1  TRP   2           HD       TRP   2 -35.810   0.957   3.031
   13    HE1  TRP   2           1HE      TRP   2 -36.781  -1.320   3.744
   14    HE3  TRP   2           3HE      TRP   2 -32.811  -2.100   0.251
   15    HZ2  TRP   2           2HZ      TRP   2 -36.331  -4.060   3.188
   16    HZ3  TRP   2           3HZ      TRP   2 -33.139  -4.531   0.386
   17    HH2  TRP   2           HH       TRP   2 -34.866  -5.493   1.830
   18    H    LEU   3           H        LEU   3 -31.674   0.953  -0.704
   19    HA   LEU   3           HA       LEU   3 -31.286  -1.566  -1.612
   20   1HB   LEU   3          2HB       LEU   3 -32.834  -0.499  -3.508
   21   2HB   LEU   3          1HB       LEU   3 -31.289   0.083  -4.085
   22    HG   LEU   3           HG       LEU   3 -30.932  -2.639  -3.485
   23   1HD1  LEU   3          1HD1      LEU   3 -33.177  -3.224  -3.583
   24   2HD1  LEU   3          2HD1      LEU   3 -32.642  -3.491  -5.242
   25   3HD1  LEU   3          3HD1      LEU   3 -33.540  -2.030  -4.828
   26   1HD2  LEU   3          1HD2      LEU   3 -30.034  -0.978  -5.311
   27   2HD2  LEU   3          2HD2      LEU   3 -31.340  -1.679  -6.271
   28   3HD2  LEU   3          3HD2      LEU   3 -30.080  -2.718  -5.604
   29    H    CYS   4           H        CYS   4 -30.554   1.770  -2.286
   30    HA   CYS   4           HA       CYS   4 -28.019   1.768  -3.222
   31   1HB   CYS   4          2HB       CYS   4 -29.646   3.563  -1.604
   32   2HB   CYS   4          1HB       CYS   4 -27.924   3.759  -1.326
   33    HG   CYS   4           HG       CYS   4 -29.342   4.270  -4.037
   34    H    ARG   5           H        ARG   5 -29.000   0.676  -0.101
   35    HA   ARG   5           HA       ARG   5 -26.614   1.041   1.323
   36   1HB   ARG   5          2HB       ARG   5 -29.043   0.005   1.938
   37   2HB   ARG   5          1HB       ARG   5 -28.066  -1.458   1.897
   38   1HG   ARG   5          2HG       ARG   5 -27.312  -1.002   3.926
   39   2HG   ARG   5          1HG       ARG   5 -26.601   0.496   3.321
   40   1HD   ARG   5          2HD       ARG   5 -28.170   0.796   5.243
   41   2HD   ARG   5          1HD       ARG   5 -28.590   1.722   3.803
   42    HE   ARG   5           HE       ARG   5 -29.892  -0.849   4.038
   43   1HH1  ARG   5          1HH1      ARG   5 -30.081   2.577   4.705
   44   2HH1  ARG   5          2HH1      ARG   5 -31.807   2.579   4.841
   45   1HH2  ARG   5          1HH2      ARG   5 -32.153  -0.844   4.219
   46   2HH2  ARG   5          2HH2      ARG   5 -32.984   0.635   4.569
   47    H    ALA   6           H        ALA   6 -27.233  -1.002  -1.324
   48    HA   ALA   6           HA       ALA   6 -25.267  -2.992  -0.674
   49   1HB   ALA   6          1HB       ALA   6 -27.373  -3.112  -2.246
   50   2HB   ALA   6          2HB       ALA   6 -25.928  -4.066  -2.585
   51   3HB   ALA   6          3HB       ALA   6 -26.217  -2.562  -3.460
   52    H    LEU   7           H        LEU   7 -25.422  -0.118  -2.725
   53    HA   LEU   7           HA       LEU   7 -22.879  -0.416  -3.911
   54   1HB   LEU   7          2HB       LEU   7 -23.459   2.357  -3.690
   55   2HB   LEU   7          1HB       LEU   7 -23.535   1.337  -5.110
   56    HG   LEU   7           HG       LEU   7 -25.799   1.558  -3.162
   57   1HD1  LEU   7          1HD1      LEU   7 -26.749   3.005  -5.121
   58   2HD1  LEU   7          2HD1      LEU   7 -25.043   3.339  -5.414
   59   3HD1  LEU   7          3HD1      LEU   7 -25.763   3.736  -3.854
   60   1HD2  LEU   7          1HD2      LEU   7 -26.836   0.088  -4.476
   61   2HD2  LEU   7          2HD2      LEU   7 -25.294  -0.161  -5.293
   62   3HD2  LEU   7          3HD2      LEU   7 -26.444   1.018  -5.921
   63    H    ILE   8           H        ILE   8 -23.967   0.889  -0.876
   64    HA   ILE   8           HA       ILE   8 -21.542   2.237  -0.391
   65    HB   ILE   8           HB       ILE   8 -22.251   2.201   2.067
   66   1HG1  ILE   8          2HG1      ILE   8 -24.991   1.854   1.753
   67   2HG1  ILE   8          1HG1      ILE   8 -24.281   0.493   0.897
   68   1HG2  ILE   8          1HG2      ILE   8 -24.420   3.456   0.488
   69   2HG2  ILE   8          2HG2      ILE   8 -22.763   3.912   0.092
   70   3HG2  ILE   8          3HG2      ILE   8 -23.373   4.144   1.730
   71   1HD1  ILE   8          1HD1      ILE   8 -24.049  -0.536   2.839
   72   2HD1  ILE   8          2HD1      ILE   8 -24.605   0.895   3.704
   73   3HD1  ILE   8          3HD1      ILE   8 -22.894   0.703   3.320
   74    H    LYS   9           H        LYS   9 -22.762  -0.968   0.523
   75    HA   LYS   9           HA       LYS   9 -20.564  -1.737   2.101
   76   1HB   LYS   9          2HB       LYS   9 -21.712  -3.834   0.338
   77   2HB   LYS   9          1HB       LYS   9 -21.422  -3.859   2.068
   78   1HG   LYS   9          2HG       LYS   9 -23.426  -2.247   2.213
   79   2HG   LYS   9          1HG       LYS   9 -23.783  -2.800   0.575
   80   1HD   LYS   9          2HD       LYS   9 -23.380  -5.171   1.762
   81   2HD   LYS   9          1HD       LYS   9 -23.957  -4.245   3.150
   82   1HE   LYS   9          2HE       LYS   9 -25.897  -3.529   1.696
   83   2HE   LYS   9          1HE       LYS   9 -25.364  -4.745   0.536
   84   1HZ   LYS   9          1HZ       LYS   9 -26.670  -6.115   1.692
   85   2HZ   LYS   9          2HZ       LYS   9 -26.774  -5.074   3.021
   86   3HZ   LYS   9          3HZ       LYS   9 -25.454  -6.118   2.869
   87    H    ARG  10           H        ARG  10 -20.918  -1.281  -1.282
   88    HA   ARG  10           HA       ARG  10 -18.762  -2.866  -2.183
   89   1HB   ARG  10          2HB       ARG  10 -20.398  -0.659  -3.285
   90   2HB   ARG  10          1HB       ARG  10 -18.805  -0.862  -4.000
   91   1HG   ARG  10          2HG       ARG  10 -19.981  -2.224  -5.351
   92   2HG   ARG  10          1HG       ARG  10 -19.597  -3.382  -4.081
   93   1HD   ARG  10          2HD       ARG  10 -22.004  -1.887  -3.503
   94   2HD   ARG  10          1HD       ARG  10 -22.119  -2.747  -5.034
   95    HE   ARG  10           HE       ARG  10 -21.139  -4.325  -2.819
   96   1HH1  ARG  10          1HH1      ARG  10 -23.974  -3.268  -4.564
   97   2HH1  ARG  10          2HH1      ARG  10 -24.903  -4.669  -4.150
   98   1HH2  ARG  10          1HH2      ARG  10 -22.355  -6.161  -2.269
   99   2HH2  ARG  10          2HH2      ARG  10 -23.985  -6.314  -2.829
  100    H    ILE  11           H        ILE  11 -19.031   0.539  -1.320
  101    HA   ILE  11           HA       ILE  11 -16.345   1.196  -1.680
  102    HB   ILE  11           HB       ILE  11 -18.248   2.243   0.422
  103   1HG1  ILE  11          2HG1      ILE  11 -17.635   3.883  -1.939
  104   2HG1  ILE  11          1HG1      ILE  11 -18.499   2.393  -2.305
  105   1HG2  ILE  11          1HG2      ILE  11 -16.542   3.432   1.203
  106   2HG2  ILE  11          2HG2      ILE  11 -16.410   4.226  -0.365
  107   3HG2  ILE  11          3HG2      ILE  11 -15.474   2.773  -0.029
  108   1HD1  ILE  11          1HD1      ILE  11 -20.351   3.502  -1.817
  109   2HD1  ILE  11          2HD1      ILE  11 -19.449   4.841  -1.107
  110   3HD1  ILE  11          3HD1      ILE  11 -19.847   3.428  -0.129
  111    H    GLN  12           H        GLN  12 -18.043  -0.596   0.746
  112    HA   GLN  12           HA       GLN  12 -16.090  -0.614   2.787
  113   1HB   GLN  12          2HB       GLN  12 -17.712  -1.764   3.828
  114   2HB   GLN  12          1HB       GLN  12 -18.624  -1.736   2.330
  115   1HG   GLN  12          2HG       GLN  12 -18.573  -3.978   3.039
  116   2HG   GLN  12          1HG       GLN  12 -17.461  -3.861   1.679
  117   1HE2  GLN  12          1HE2      GLN  12 -17.438  -3.590   5.227
  118   2HE2  GLN  12          2HE2      GLN  12 -15.953  -4.442   5.446
  119    H    ALA  13           H        ALA  13 -16.402  -2.414  -0.194
  120    HA   ALA  13           HA       ALA  13 -14.312  -4.293   0.556
  121   1HB   ALA  13          1HB       ALA  13 -15.760  -5.485  -0.690
  122   2HB   ALA  13          2HB       ALA  13 -14.770  -4.881  -2.020
  123   3HB   ALA  13          3HB       ALA  13 -16.287  -4.079  -1.616
  124    H    MET  14           H        MET  14 -14.431  -1.259  -1.042
  125    HA   MET  14           HA       MET  14 -12.010  -1.778  -2.572
  126   1HB   MET  14          2HB       MET  14 -12.299   0.634  -3.286
  127   2HB   MET  14          1HB       MET  14 -13.575  -0.481  -3.761
  128   1HG   MET  14          2HG       MET  14 -14.702   1.410  -3.041
  129   2HG   MET  14          1HG       MET  14 -14.794   0.312  -1.663
  130   1HE   MET  14          1HE       MET  14 -14.955   3.479  -2.440
  131   2HE   MET  14          2HE       MET  14 -13.301   3.996  -2.761
  132   3HE   MET  14          3HE       MET  14 -14.088   4.444  -1.246
  133    H    ILE  15           H        ILE  15 -12.708  -0.670   0.538
  134    HA   ILE  15           HA       ILE  15 -11.081   1.267   1.069
  135    HB   ILE  15           HB       ILE  15 -10.628  -0.344   3.278
  136   1HG1  ILE  15          2HG1      ILE  15 -13.549  -0.248   2.547
  137   2HG1  ILE  15          1HG1      ILE  15 -12.546  -1.616   2.073
  138   1HG2  ILE  15          1HG2      ILE  15 -11.316   1.476   4.359
  139   2HG2  ILE  15          2HG2      ILE  15 -12.832   1.548   3.463
  140   3HG2  ILE  15          3HG2      ILE  15 -11.367   2.242   2.771
  141   1HD1  ILE  15          1HD1      ILE  15 -12.467  -0.786   4.913
  142   2HD1  ILE  15          2HD1      ILE  15 -12.373  -2.394   4.193
  143   3HD1  ILE  15          3HD1      ILE  15 -13.930  -1.577   4.329
  144    HA   PRO  16           HA       PRO  16  -7.351  -1.824   2.030
  145   1HB   PRO  16          2HB       PRO  16  -7.904  -3.107  -0.598
  146   2HB   PRO  16          1HB       PRO  16  -7.378  -3.830   0.925
  147   1HG   PRO  16          2HG       PRO  16  -9.950  -3.955   0.068
  148   2HG   PRO  16          1HG       PRO  16  -9.521  -3.900   1.789
  149   1HD   PRO  16          2HD       PRO  16 -10.717  -1.756   0.103
  150   2HD   PRO  16          1HD       PRO  16 -10.768  -1.900   1.832
  151    H    LYS  17           H        LYS  17  -5.244  -1.959   1.204
  152    HA   LYS  17           HA       LYS  17  -3.863  -1.465  -0.939
  153   1HB   LYS  17          2HB       LYS  17  -5.337   1.045  -0.393
  154   2HB   LYS  17          1HB       LYS  17  -3.626   1.247  -0.744
  155   1HG   LYS  17          2HG       LYS  17  -4.513  -0.533  -2.682
  156   2HG   LYS  17          1HG       LYS  17  -5.821   0.639  -2.529
  157   1HD   LYS  17          2HD       LYS  17  -4.635   1.982  -3.860
  158   2HD   LYS  17          1HD       LYS  17  -3.505   2.178  -2.520
  159   1HE   LYS  17          2HE       LYS  17  -1.963   1.342  -3.903
  160   2HE   LYS  17          1HE       LYS  17  -2.734  -0.220  -3.625
  161   1HZ   LYS  17          1HZ       LYS  17  -2.838  -0.161  -5.872
  162   2HZ   LYS  17          2HZ       LYS  17  -2.864   1.528  -5.960
  163   3HZ   LYS  17          3HZ       LYS  17  -4.273   0.680  -5.561
  164    H    GLY  18           H        GLY  18  -1.646  -0.686  -0.666
  165   1HA   GLY  18          2HA       GLY  18  -0.812   0.360   1.871
  166   2HA   GLY  18          1HA       GLY  18  -0.537  -1.367   1.771
  167    H    GLY  19           H        GLY  19   1.094  -2.166   0.422
  168   1HA   GLY  19          2HA       GLY  19   3.179  -2.135  -0.625
  169   2HA   GLY  19          1HA       GLY  19   2.668  -0.635  -1.375
  170    H    ARG  20           H        ARG  20   5.339  -1.213  -0.572
  171    HA   ARG  20           HA       ARG  20   6.654   0.768   0.194
  172   1HB   ARG  20          2HB       ARG  20   5.025   1.643   1.761
  173   2HB   ARG  20          1HB       ARG  20   5.122   0.187   2.741
  174   1HG   ARG  20          2HG       ARG  20   7.675   1.580   2.322
  175   2HG   ARG  20          1HG       ARG  20   6.469   2.479   3.242
  176   1HD   ARG  20          2HD       ARG  20   6.416  -0.152   4.227
  177   2HD   ARG  20          1HD       ARG  20   8.117   0.280   4.062
  178    HE   ARG  20           HE       ARG  20   6.804   2.409   5.297
  179   1HH1  ARG  20          1HH1      ARG  20   7.615  -0.917   5.954
  180   2HH1  ARG  20          2HH1      ARG  20   7.723  -0.686   7.666
  181   1HH2  ARG  20          1HH2      ARG  20   6.936   2.713   7.557
  182   2HH2  ARG  20          2HH2      ARG  20   7.335   1.370   8.575
  183    H    MET  21           H        MET  21   8.122  -0.854  -0.476
  184    HA   MET  21           HA       MET  21   8.963  -2.788   1.553
  185   1HB   MET  21          2HB       MET  21  10.607  -3.415  -0.421
  186   2HB   MET  21          1HB       MET  21   8.947  -3.985  -0.402
  187   1HG   MET  21          2HG       MET  21   9.553  -1.410  -1.761
  188   2HG   MET  21          1HG       MET  21  10.017  -2.916  -2.547
  189   1HE   MET  21          1HE       MET  21   6.764  -1.545  -4.327
  190   2HE   MET  21          2HE       MET  21   8.487  -1.223  -4.122
  191   3HE   MET  21          3HE       MET  21   7.308  -0.414  -3.090
  192    H    LEU  22           H        LEU  22  10.445  -0.409  -0.564
  193    HA   LEU  22           HA       LEU  22  12.278   0.939  -0.385
  194   1HB   LEU  22          2HB       LEU  22  11.066   1.867   1.474
  195   2HB   LEU  22          1HB       LEU  22  11.669   0.620   2.547
  196    HG   LEU  22           HG       LEU  22  13.865   2.046   1.316
  197   1HD1  LEU  22          1HD1      LEU  22  11.917   3.704   2.908
  198   2HD1  LEU  22          2HD1      LEU  22  12.267   3.888   1.190
  199   3HD1  LEU  22          3HD1      LEU  22  13.525   4.203   2.385
  200   1HD2  LEU  22          1HD2      LEU  22  14.550   1.048   3.222
  201   2HD2  LEU  22          2HD2      LEU  22  12.963   1.168   3.981
  202   3HD2  LEU  22          3HD2      LEU  22  14.033   2.568   3.951
  203    HA   PRO  23           HA       PRO  23  15.467  -2.250   0.698
  204   1HB   PRO  23          2HB       PRO  23  15.825  -3.408  -1.683
  205   2HB   PRO  23          1HB       PRO  23  14.456  -3.838  -0.654
  206   1HG   PRO  23          2HG       PRO  23  14.489  -2.319  -3.175
  207   2HG   PRO  23          1HG       PRO  23  13.143  -3.160  -2.388
  208   1HD   PRO  23          2HD       PRO  23  13.835  -0.331  -2.305
  209   2HD   PRO  23          1HD       PRO  23  12.379  -1.141  -1.686
  210    H    GLN  24           H        GLN  24  16.227   0.342   0.517
  211    HA   GLN  24           HA       GLN  24  18.098   0.650  -1.700
  212   1HB   GLN  24          2HB       GLN  24  17.881   2.851  -1.392
  213   2HB   GLN  24          1HB       GLN  24  16.528   2.434  -0.355
  214   1HG   GLN  24          2HG       GLN  24  19.359   2.925   0.565
  215   2HG   GLN  24          1HG       GLN  24  18.028   4.073   0.672
  216   1HE2  GLN  24          1HE2      GLN  24  19.677   2.953   2.780
  217   2HE2  GLN  24          2HE2      GLN  24  18.595   2.175   3.879
  218    H    LEU  25           H        LEU  25  18.222  -0.711   1.352
  219    HA   LEU  25           HA       LEU  25  20.488   0.165   2.565
  220   1HB   LEU  25          2HB       LEU  25  18.848  -2.057   2.818
  221   2HB   LEU  25          1HB       LEU  25  20.436  -2.729   2.613
  222    HG   LEU  25           HG       LEU  25  20.455  -2.556   4.857
  223   1HD1  LEU  25          1HD1      LEU  25  21.085   0.340   4.498
  224   2HD1  LEU  25          2HD1      LEU  25  22.133  -0.900   3.806
  225   3HD1  LEU  25          3HD1      LEU  25  21.849  -0.856   5.545
  226   1HD2  LEU  25          1HD2      LEU  25  18.211  -1.791   5.137
  227   2HD2  LEU  25          2HD2      LEU  25  18.636  -0.169   4.590
  228   3HD2  LEU  25          3HD2      LEU  25  19.257  -0.773   6.126
  229    H    VAL  26           H        VAL  26  20.769  -2.938   0.869
  230    HA   VAL  26           HA       VAL  26  23.467  -3.051   0.776
  231    HB   VAL  26           HB       VAL  26  23.179  -4.319  -1.473
  232   1HG1  VAL  26          1HG1      VAL  26  22.804  -5.024   1.219
  233   2HG1  VAL  26          2HG1      VAL  26  23.235  -6.073  -0.131
  234   3HG1  VAL  26          3HG1      VAL  26  21.542  -5.848   0.305
  235   1HG2  VAL  26          1HG2      VAL  26  20.799  -3.112  -1.600
  236   2HG2  VAL  26          2HG2      VAL  26  20.318  -4.588  -0.764
  237   3HG2  VAL  26          3HG2      VAL  26  21.120  -4.681  -2.332
  238    H    CYS  27           H        CYS  27  21.476  -1.049  -1.285
  239    HA   CYS  27           HA       CYS  27  23.294  -0.557  -3.345
  240   1HB   CYS  27          2HB       CYS  27  20.982   0.152  -3.510
  241   2HB   CYS  27          1HB       CYS  27  21.194   1.261  -2.161
  242    HG   CYS  27           HG       CYS  27  23.082   2.251  -4.113
  243    H    ARG  28           H        ARG  28  22.577   1.774  -0.746
  244    HA   ARG  28           HA       ARG  28  25.195   2.961  -1.153
  245   1HB   ARG  28          2HB       ARG  28  23.228   4.395  -0.992
  246   2HB   ARG  28          1HB       ARG  28  22.920   3.802   0.633
  247   1HG   ARG  28          2HG       ARG  28  23.982   6.016   0.596
  248   2HG   ARG  28          1HG       ARG  28  24.952   4.806   1.437
  249   1HD   ARG  28          2HD       ARG  28  25.477   5.125  -1.451
  250   2HD   ARG  28          1HD       ARG  28  25.935   6.485  -0.429
  251    HE   ARG  28           HE       ARG  28  27.121   3.837  -0.463
  252   1HH1  ARG  28          1HH1      ARG  28  26.846   6.899   1.188
  253   2HH1  ARG  28          2HH1      ARG  28  28.320   6.698   2.073
  254   1HH2  ARG  28          1HH2      ARG  28  29.058   3.569   0.698
  255   2HH2  ARG  28          2HH2      ARG  28  29.578   4.803   1.797
  256    H    LEU  29           H        LEU  29  24.197   0.442   0.710
  257    HA   LEU  29           HA       LEU  29  25.671   1.228   3.086
  258   1HB   LEU  29          2HB       LEU  29  23.689   0.079   3.572
  259   2HB   LEU  29          1HB       LEU  29  24.023  -1.179   2.396
  260    HG   LEU  29           HG       LEU  29  25.882  -1.991   3.817
  261   1HD1  LEU  29          1HD1      LEU  29  25.975   0.424   4.927
  262   2HD1  LEU  29          2HD1      LEU  29  26.533  -1.022   5.768
  263   3HD1  LEU  29          3HD1      LEU  29  24.934  -0.365   6.113
  264   1HD2  LEU  29          1HD2      LEU  29  23.577  -1.903   5.675
  265   2HD2  LEU  29          2HD2      LEU  29  24.506  -3.277   5.079
  266   3HD2  LEU  29          3HD2      LEU  29  23.279  -2.533   4.055
  267    H    VAL  30           H        VAL  30  25.991  -1.126   0.442
  268    HA   VAL  30           HA       VAL  30  28.290  -2.341   1.564
  269    HB   VAL  30           HB       VAL  30  26.925  -3.579   0.028
  270   1HG1  VAL  30          1HG1      VAL  30  27.766  -2.178  -2.414
  271   2HG1  VAL  30          2HG1      VAL  30  26.622  -1.306  -1.391
  272   3HG1  VAL  30          3HG1      VAL  30  26.227  -2.917  -1.985
  273   1HG2  VAL  30          1HG2      VAL  30  29.778  -3.087  -0.591
  274   2HG2  VAL  30          2HG2      VAL  30  28.859  -3.964  -1.812
  275   3HG2  VAL  30          3HG2      VAL  30  28.955  -4.584  -0.163
  276    H    LEU  31           H        LEU  31  28.468  -0.804  -1.608
  277    HA   LEU  31           HA       LEU  31  30.294   0.152  -2.622
  278   1HB   LEU  31          2HB       LEU  31  28.709   1.916  -1.469
  279   2HB   LEU  31          1HB       LEU  31  30.107   2.195  -0.450
  280    HG   LEU  31           HG       LEU  31  29.834   3.749  -2.424
  281   1HD1  LEU  31          1HD1      LEU  31  32.420   2.215  -2.431
  282   2HD1  LEU  31          2HD1      LEU  31  31.959   3.342  -1.156
  283   3HD1  LEU  31          3HD1      LEU  31  32.164   3.919  -2.810
  284   1HD2  LEU  31          1HD2      LEU  31  29.330   1.581  -3.896
  285   2HD2  LEU  31          2HD2      LEU  31  31.067   1.706  -4.177
  286   3HD2  LEU  31          3HD2      LEU  31  30.009   3.060  -4.574
  287    H    ARG  32           H        ARG  32  31.312  -1.803  -1.294
  288    HA   ARG  32           HA       ARG  32  33.389  -0.845   0.484
  289   1HB   ARG  32          2HB       ARG  32  32.083  -3.019   0.815
  290   2HB   ARG  32          1HB       ARG  32  33.077  -3.685  -0.471
  291   1HG   ARG  32          2HG       ARG  32  34.383  -4.284   1.259
  292   2HG   ARG  32          1HG       ARG  32  34.993  -2.639   1.063
  293   1HD   ARG  32          2HD       ARG  32  33.768  -1.834   2.874
  294   2HD   ARG  32          1HD       ARG  32  32.653  -3.200   2.848
  295    HE   ARG  32           HE       ARG  32  34.126  -4.395   4.137
  296   1HH1  ARG  32          1HH1      ARG  32  35.744  -1.560   2.902
  297   2HH1  ARG  32          2HH1      ARG  32  37.139  -1.769   3.906
  298   1HH2  ARG  32          1HH2      ARG  32  35.965  -4.672   5.453
  299   2HH2  ARG  32          2HH2      ARG  32  37.267  -3.534   5.348
  300    H    CYS  33           H        CYS  33  33.941  -3.378  -1.911
  301    HA   CYS  33           HA       CYS  33  35.446  -3.591  -3.599
  302   1HB   CYS  33          2HB       CYS  33  34.975  -0.665  -3.559
  303   2HB   CYS  33          1HB       CYS  33  36.428  -1.217  -4.375
  304    HG   CYS  33           HG       CYS  33  35.075  -2.147  -6.224
  305    H    SER  34           H        SER  34  36.392  -0.923  -1.554
  306    HA   SER  34           HA       SER  34  38.492  -2.158  -0.231
  307   1HB   SER  34          2HB       SER  34  39.249  -1.846  -2.833
  308   2HB   SER  34          1HB       SER  34  39.857  -0.352  -2.120
  309    HG   SER  34           HG       SER  34  41.446  -1.532  -1.441
  Start of MODEL    9
    1   1H    CYS   1          1HT       CYS   1 -32.788  -6.284  -1.873
    2   2H    CYS   1          2HT       CYS   1 -33.666  -7.194  -3.037
    3   3H    CYS   1          3HT       CYS   1 -34.436  -5.926  -2.172
    4    HA   CYS   1           HA       CYS   1 -32.265  -5.676  -4.124
    5   1HB   CYS   1          2HB       CYS   1 -35.152  -4.735  -4.146
    6   2HB   CYS   1          1HB       CYS   1 -33.974  -4.493  -5.432
    7    HG   CYS   1           HG       CYS   1 -35.731  -6.867  -5.174
    8    H    TRP   2           H        TRP   2 -31.145  -4.717  -2.203
    9    HA   TRP   2           HA       TRP   2 -32.155  -2.361  -1.021
   10   1HB   TRP   2          2HB       TRP   2 -29.861  -3.998  -0.652
   11   2HB   TRP   2          1HB       TRP   2 -29.314  -2.342  -0.864
   12    HD1  TRP   2           HD       TRP   2 -30.586  -4.562   1.789
   13    HE1  TRP   2           1HE      TRP   2 -31.368  -3.166   3.819
   14    HE3  TRP   2           3HE      TRP   2 -30.590   0.001  -0.385
   15    HZ2  TRP   2           2HZ      TRP   2 -31.931  -0.422   4.381
   16    HZ3  TRP   2           3HZ      TRP   2 -31.262   1.949   0.876
   17    HH2  TRP   2           HH       TRP   2 -31.921   1.767   3.243
   18    H    LEU   3           H        LEU   3 -31.991  -0.320  -1.491
   19    HA   LEU   3           HA       LEU   3 -31.295   0.367  -4.117
   20   1HB   LEU   3          2HB       LEU   3 -31.659   2.774  -3.123
   21   2HB   LEU   3          1HB       LEU   3 -32.978   1.698  -3.476
   22    HG   LEU   3           HG       LEU   3 -31.947   1.414  -0.776
   23   1HD1  LEU   3          1HD1      LEU   3 -32.857   4.051  -1.779
   24   2HD1  LEU   3          2HD1      LEU   3 -31.646   3.655  -0.555
   25   3HD1  LEU   3          3HD1      LEU   3 -33.365   3.532  -0.170
   26   1HD2  LEU   3          1HD2      LEU   3 -33.963   0.291  -1.535
   27   2HD2  LEU   3          2HD2      LEU   3 -34.704   1.850  -1.902
   28   3HD2  LEU   3          3HD2      LEU   3 -34.333   1.421  -0.232
   29    H    CYS   4           H        CYS   4 -30.228   2.464  -1.515
   30    HA   CYS   4           HA       CYS   4 -27.638   2.747  -2.809
   31   1HB   CYS   4          2HB       CYS   4 -29.401   4.357  -1.284
   32   2HB   CYS   4          1HB       CYS   4 -27.878   4.283  -0.424
   33    HG   CYS   4           HG       CYS   4 -28.053   5.326  -3.355
   34    H    ARG   5           H        ARG   5 -28.966   1.029  -0.176
   35    HA   ARG   5           HA       ARG   5 -26.610   1.102   1.478
   36   1HB   ARG   5          2HB       ARG   5 -29.118   0.448   2.075
   37   2HB   ARG   5          1HB       ARG   5 -28.500  -1.171   1.787
   38   1HG   ARG   5          2HG       ARG   5 -27.346  -1.194   3.702
   39   2HG   ARG   5          1HG       ARG   5 -26.805   0.477   3.514
   40   1HD   ARG   5          2HD       ARG   5 -29.483  -0.474   4.509
   41   2HD   ARG   5          1HD       ARG   5 -28.223   0.310   5.459
   42    HE   ARG   5           HE       ARG   5 -28.945   2.003   3.349
   43   1HH1  ARG   5          1HH1      ARG   5 -30.330   0.669   6.265
   44   2HH1  ARG   5          2HH1      ARG   5 -31.334   2.049   6.569
   45   1HH2  ARG   5          1HH2      ARG   5 -30.242   3.805   3.734
   46   2HH2  ARG   5          2HH2      ARG   5 -31.282   3.845   5.118
   47    H    ALA   6           H        ALA   6 -27.461  -0.773  -1.241
   48    HA   ALA   6           HA       ALA   6 -25.679  -2.944  -0.631
   49   1HB   ALA   6          1HB       ALA   6 -26.302  -2.675  -3.429
   50   2HB   ALA   6          2HB       ALA   6 -27.751  -2.489  -2.437
   51   3HB   ALA   6          3HB       ALA   6 -26.760  -3.943  -2.292
   52    H    LEU   7           H        LEU   7 -25.654  -0.303  -3.014
   53    HA   LEU   7           HA       LEU   7 -23.096  -0.753  -3.993
   54   1HB   LEU   7          2HB       LEU   7 -23.448   2.011  -4.159
   55   2HB   LEU   7          1HB       LEU   7 -23.790   0.827  -5.401
   56    HG   LEU   7           HG       LEU   7 -25.913   1.339  -3.381
   57   1HD1  LEU   7          1HD1      LEU   7 -25.307   3.585  -3.820
   58   2HD1  LEU   7          2HD1      LEU   7 -26.723   3.237  -4.812
   59   3HD1  LEU   7          3HD1      LEU   7 -25.119   3.268  -5.544
   60   1HD2  LEU   7          1HD2      LEU   7 -27.235   1.201  -5.609
   61   2HD2  LEU   7          2HD2      LEU   7 -26.528  -0.270  -4.941
   62   3HD2  LEU   7          3HD2      LEU   7 -25.727   0.567  -6.271
   63    H    ILE   8           H        ILE   8 -24.164   0.836  -1.071
   64    HA   ILE   8           HA       ILE   8 -21.717   2.171  -0.713
   65    HB   ILE   8           HB       ILE   8 -22.356   2.375   1.719
   66   1HG1  ILE   8          2HG1      ILE   8 -25.056   1.905   1.677
   67   2HG1  ILE   8          1HG1      ILE   8 -24.424   0.529   0.779
   68   1HG2  ILE   8          1HG2      ILE   8 -24.344   3.339  -0.328
   69   2HG2  ILE   8          2HG2      ILE   8 -22.806   4.106   0.065
   70   3HG2  ILE   8          3HG2      ILE   8 -24.084   4.022   1.278
   71   1HD1  ILE   8          1HD1      ILE   8 -22.992   1.139   3.259
   72   2HD1  ILE   8          2HD1      ILE   8 -23.538  -0.407   2.610
   73   3HD1  ILE   8          3HD1      ILE   8 -24.669   0.639   3.469
   74    H    LYS   9           H        LYS   9 -22.963  -0.845   0.731
   75    HA   LYS   9           HA       LYS   9 -20.650  -1.459   2.191
   76   1HB   LYS   9          2HB       LYS   9 -21.448  -3.913   1.822
   77   2HB   LYS   9          1HB       LYS   9 -22.457  -2.808   2.739
   78   1HG   LYS   9          2HG       LYS   9 -23.701  -2.383   0.566
   79   2HG   LYS   9          1HG       LYS   9 -22.846  -3.789  -0.064
   80   1HD   LYS   9          2HD       LYS   9 -23.730  -4.855   2.206
   81   2HD   LYS   9          1HD       LYS   9 -24.971  -3.619   2.004
   82   1HE   LYS   9          2HE       LYS   9 -25.934  -4.706   0.295
   83   2HE   LYS   9          1HE       LYS   9 -24.382  -5.109  -0.441
   84   1HZ   LYS   9          1HZ       LYS   9 -25.494  -7.111   0.236
   85   2HZ   LYS   9          2HZ       LYS   9 -25.692  -6.532   1.813
   86   3HZ   LYS   9          3HZ       LYS   9 -24.144  -6.883   1.231
   87    H    ARG  10           H        ARG  10 -21.142  -1.486  -1.180
   88    HA   ARG  10           HA       ARG  10 -19.180  -3.378  -1.936
   89   1HB   ARG  10          2HB       ARG  10 -20.669  -1.186  -3.287
   90   2HB   ARG  10          1HB       ARG  10 -19.126  -1.613  -4.008
   91   1HG   ARG  10          2HG       ARG  10 -21.004  -2.770  -5.038
   92   2HG   ARG  10          1HG       ARG  10 -19.856  -3.886  -4.299
   93   1HD   ARG  10          2HD       ARG  10 -21.981  -3.048  -2.494
   94   2HD   ARG  10          1HD       ARG  10 -22.581  -3.893  -3.918
   95    HE   ARG  10           HE       ARG  10 -20.379  -5.171  -2.543
   96   1HH1  ARG  10          1HH1      ARG  10 -23.844  -4.944  -2.893
   97   2HH1  ARG  10          2HH1      ARG  10 -24.146  -6.514  -2.226
   98   1HH2  ARG  10          1HH2      ARG  10 -20.759  -7.233  -1.655
   99   2HH2  ARG  10          2HH2      ARG  10 -22.383  -7.823  -1.516
  100    H    ILE  11           H        ILE  11 -19.109   0.167  -1.842
  101    HA   ILE  11           HA       ILE  11 -16.417   0.581  -2.274
  102    HB   ILE  11           HB       ILE  11 -18.291   2.036  -0.413
  103   1HG1  ILE  11          2HG1      ILE  11 -17.599   3.690  -2.528
  104   2HG1  ILE  11          1HG1      ILE  11 -17.749   2.103  -3.275
  105   1HG2  ILE  11          1HG2      ILE  11 -15.451   2.280  -0.557
  106   2HG2  ILE  11          2HG2      ILE  11 -16.596   3.173   0.441
  107   3HG2  ILE  11          3HG2      ILE  11 -16.194   3.755  -1.172
  108   1HD1  ILE  11          1HD1      ILE  11 -19.956   2.449  -1.539
  109   2HD1  ILE  11          2HD1      ILE  11 -19.944   2.343  -3.300
  110   3HD1  ILE  11          3HD1      ILE  11 -19.787   3.913  -2.509
  111    H    GLN  12           H        GLN  12 -18.112  -0.558   0.531
  112    HA   GLN  12           HA       GLN  12 -16.161  -0.317   2.503
  113   1HB   GLN  12          2HB       GLN  12 -17.804  -1.204   3.693
  114   2HB   GLN  12          1HB       GLN  12 -18.683  -1.491   2.204
  115   1HG   GLN  12          2HG       GLN  12 -18.708  -3.587   3.084
  116   2HG   GLN  12          1HG       GLN  12 -17.223  -3.682   2.138
  117   1HE2  GLN  12          1HE2      GLN  12 -18.071  -2.295   5.293
  118   2HE2  GLN  12          2HE2      GLN  12 -16.828  -3.098   6.184
  119    H    ALA  13           H        ALA  13 -16.550  -2.823   0.049
  120    HA   ALA  13           HA       ALA  13 -14.423  -4.430   1.171
  121   1HB   ALA  13          1HB       ALA  13 -14.805  -5.579  -1.200
  122   2HB   ALA  13          2HB       ALA  13 -16.312  -4.671  -1.088
  123   3HB   ALA  13          3HB       ALA  13 -15.893  -5.835   0.167
  124    H    MET  14           H        MET  14 -14.635  -1.932  -1.215
  125    HA   MET  14           HA       MET  14 -12.067  -2.624  -2.393
  126   1HB   MET  14          2HB       MET  14 -12.486  -0.593  -3.820
  127   2HB   MET  14          1HB       MET  14 -13.661  -1.893  -3.969
  128   1HG   MET  14          2HG       MET  14 -14.956   0.026  -3.891
  129   2HG   MET  14          1HG       MET  14 -15.024  -0.595  -2.246
  130   1HE   MET  14          1HE       MET  14 -14.995   3.436  -2.663
  131   2HE   MET  14          2HE       MET  14 -15.730   2.086  -3.529
  132   3HE   MET  14          3HE       MET  14 -14.291   2.875  -4.180
  133    H    ILE  15           H        ILE  15 -12.790  -0.988   0.377
  134    HA   ILE  15           HA       ILE  15 -11.374   1.269   0.203
  135    HB   ILE  15           HB       ILE  15 -10.899   0.524   2.837
  136   1HG1  ILE  15          2HG1      ILE  15 -13.800   0.111   2.169
  137   2HG1  ILE  15          1HG1      ILE  15 -12.664  -1.238   2.170
  138   1HG2  ILE  15          1HG2      ILE  15 -13.254   2.193   2.356
  139   2HG2  ILE  15          2HG2      ILE  15 -11.769   2.752   1.583
  140   3HG2  ILE  15          3HG2      ILE  15 -11.812   2.489   3.327
  141   1HD1  ILE  15          1HD1      ILE  15 -12.878   0.590   4.521
  142   2HD1  ILE  15          2HD1      ILE  15 -12.258  -1.059   4.440
  143   3HD1  ILE  15          3HD1      ILE  15 -13.990  -0.762   4.302
  144    HA   PRO  16           HA       PRO  16  -7.565  -1.293   2.003
  145   1HB   PRO  16          2HB       PRO  16  -7.916  -3.114  -0.328
  146   2HB   PRO  16          1HB       PRO  16  -7.436  -3.483   1.332
  147   1HG   PRO  16          2HG       PRO  16  -9.935  -3.973   0.458
  148   2HG   PRO  16          1HG       PRO  16  -9.622  -3.434   2.120
  149   1HD   PRO  16          2HD       PRO  16 -10.727  -1.850  -0.172
  150   2HD   PRO  16          1HD       PRO  16 -11.026  -1.643   1.532
  151    H    LYS  17           H        LYS  17  -5.396  -1.473   1.267
  152    HA   LYS  17           HA       LYS  17  -3.966  -1.370  -0.863
  153   1HB   LYS  17          2HB       LYS  17  -5.558   1.154  -0.979
  154   2HB   LYS  17          1HB       LYS  17  -3.887   1.199  -1.523
  155   1HG   LYS  17          2HG       LYS  17  -5.099  -1.090  -2.671
  156   2HG   LYS  17          1HG       LYS  17  -6.182   0.281  -2.920
  157   1HD   LYS  17          2HD       LYS  17  -4.853   0.565  -4.741
  158   2HD   LYS  17          1HD       LYS  17  -3.872   1.457  -3.575
  159   1HE   LYS  17          2HE       LYS  17  -2.182   0.067  -3.955
  160   2HE   LYS  17          1HE       LYS  17  -3.165  -1.276  -3.373
  161   1HZ   LYS  17          1HZ       LYS  17  -2.444  -1.802  -5.551
  162   2HZ   LYS  17          2HZ       LYS  17  -2.923  -0.301  -6.163
  163   3HZ   LYS  17          3HZ       LYS  17  -4.089  -1.423  -5.669
  164    H    GLY  18           H        GLY  18  -1.809  -0.472  -0.693
  165   1HA   GLY  18          2HA       GLY  18  -1.158   1.367   1.429
  166   2HA   GLY  18          1HA       GLY  18  -0.775  -0.288   1.854
  167    H    GLY  19           H        GLY  19   0.868  -1.382   0.721
  168   1HA   GLY  19          2HA       GLY  19   2.923  -1.599  -0.315
  169   2HA   GLY  19          1HA       GLY  19   2.378  -0.367  -1.438
  170    H    ARG  20           H        ARG  20   5.020  -0.472  -0.870
  171    HA   ARG  20           HA       ARG  20   6.469   1.384  -0.671
  172   1HB   ARG  20          2HB       ARG  20   4.609   2.793   0.273
  173   2HB   ARG  20          1HB       ARG  20   5.008   2.146   1.857
  174   1HG   ARG  20          2HG       ARG  20   7.293   3.248   0.387
  175   2HG   ARG  20          1HG       ARG  20   6.039   4.421   0.789
  176   1HD   ARG  20          2HD       ARG  20   7.535   2.625   2.688
  177   2HD   ARG  20          1HD       ARG  20   7.644   4.381   2.571
  178    HE   ARG  20           HE       ARG  20   5.024   3.945   3.116
  179   1HH1  ARG  20          1HH1      ARG  20   8.004   2.938   4.635
  180   2HH1  ARG  20          2HH1      ARG  20   7.314   2.854   6.221
  181   1HH2  ARG  20          1HH2      ARG  20   4.117   3.850   5.198
  182   2HH2  ARG  20          2HH2      ARG  20   5.102   3.375   6.542
  183    H    MET  21           H        MET  21   7.820  -0.442  -0.414
  184    HA   MET  21           HA       MET  21   8.435  -1.246   2.331
  185   1HB   MET  21          2HB       MET  21  10.073  -2.831   1.065
  186   2HB   MET  21          1HB       MET  21   8.352  -3.182   1.050
  187   1HG   MET  21          2HG       MET  21   9.344  -1.487  -1.142
  188   2HG   MET  21          1HG       MET  21   9.894  -3.161  -1.140
  189   1HE   MET  21          1HE       MET  21   6.724  -2.414  -3.660
  190   2HE   MET  21          2HE       MET  21   8.484  -2.321  -3.583
  191   3HE   MET  21          3HE       MET  21   7.502  -1.046  -2.862
  192    H    LEU  22           H        LEU  22  10.019   0.073  -0.508
  193    HA   LEU  22           HA       LEU  22  11.877   1.336  -0.838
  194   1HB   LEU  22          2HB       LEU  22  10.625   2.893   0.483
  195   2HB   LEU  22          1HB       LEU  22  11.182   2.149   1.970
  196    HG   LEU  22           HG       LEU  22  13.276   3.217   0.163
  197   1HD1  LEU  22          1HD1      LEU  22  11.634   4.988   0.017
  198   2HD1  LEU  22          2HD1      LEU  22  12.973   5.493   1.048
  199   3HD1  LEU  22          3HD1      LEU  22  11.444   4.991   1.771
  200   1HD2  LEU  22          1HD2      LEU  22  13.739   4.103   2.703
  201   2HD2  LEU  22          2HD2      LEU  22  14.342   2.588   2.034
  202   3HD2  LEU  22          3HD2      LEU  22  12.863   2.601   2.996
  203    HA   PRO  23           HA       PRO  23  15.173  -1.113   1.202
  204   1HB   PRO  23          2HB       PRO  23  15.875  -2.570  -0.881
  205   2HB   PRO  23          1HB       PRO  23  14.303  -2.851  -0.113
  206   1HG   PRO  23          2HG       PRO  23  14.929  -1.539  -2.706
  207   2HG   PRO  23          1HG       PRO  23  13.471  -2.415  -2.214
  208   1HD   PRO  23          2HD       PRO  23  13.949   0.440  -2.172
  209   2HD   PRO  23          1HD       PRO  23  12.456  -0.433  -1.760
  210    H    GLN  24           H        GLN  24  16.372   1.067   1.279
  211    HA   GLN  24           HA       GLN  24  18.060   1.647  -1.024
  212   1HB   GLN  24          2HB       GLN  24  17.517   3.702  -0.333
  213   2HB   GLN  24          1HB       GLN  24  17.040   3.131   1.257
  214   1HG   GLN  24          2HG       GLN  24  19.914   3.539   0.483
  215   2HG   GLN  24          1HG       GLN  24  18.914   4.829   1.147
  216   1HE2  GLN  24          1HE2      GLN  24  21.311   3.648   2.262
  217   2HE2  GLN  24          2HE2      GLN  24  20.875   2.996   3.802
  218    H    LEU  25           H        LEU  25  18.434   0.556   2.269
  219    HA   LEU  25           HA       LEU  25  20.900   0.805   3.083
  220   1HB   LEU  25          2HB       LEU  25  19.002  -1.029   3.631
  221   2HB   LEU  25          1HB       LEU  25  20.246  -2.058   2.972
  222    HG   LEU  25           HG       LEU  25  20.792  -2.124   5.193
  223   1HD1  LEU  25          1HD1      LEU  25  22.790  -0.934   5.545
  224   2HD1  LEU  25          2HD1      LEU  25  22.264   0.414   4.536
  225   3HD1  LEU  25          3HD1      LEU  25  22.674  -1.134   3.796
  226   1HD2  LEU  25          1HD2      LEU  25  19.364  -0.836   6.388
  227   2HD2  LEU  25          2HD2      LEU  25  19.487   0.523   5.270
  228   3HD2  LEU  25          3HD2      LEU  25  20.758   0.243   6.461
  229    H    VAL  26           H        VAL  26  20.238  -1.880   0.861
  230    HA   VAL  26           HA       VAL  26  22.644  -2.942   0.569
  231    HB   VAL  26           HB       VAL  26  20.902  -2.386  -1.833
  232   1HG1  VAL  26          1HG1      VAL  26  22.267  -4.950  -1.678
  233   2HG1  VAL  26          2HG1      VAL  26  23.387  -3.589  -1.699
  234   3HG1  VAL  26          3HG1      VAL  26  22.207  -3.779  -2.997
  235   1HG2  VAL  26          1HG2      VAL  26  19.402  -3.377  -0.401
  236   2HG2  VAL  26          2HG2      VAL  26  20.647  -4.302   0.438
  237   3HG2  VAL  26          3HG2      VAL  26  20.116  -4.796  -1.169
  238    H    CYS  27           H        CYS  27  21.780  -0.779  -2.121
  239    HA   CYS  27           HA       CYS  27  24.275  -0.344  -3.081
  240   1HB   CYS  27          2HB       CYS  27  21.949   0.570  -3.873
  241   2HB   CYS  27          1HB       CYS  27  22.449   2.015  -2.996
  242    HG   CYS  27           HG       CYS  27  24.675   1.301  -4.812
  243    H    ARG  28           H        ARG  28  22.914   1.088  -0.204
  244    HA   ARG  28           HA       ARG  28  24.581   3.277   0.112
  245   1HB   ARG  28          2HB       ARG  28  22.623   2.412   1.576
  246   2HB   ARG  28          1HB       ARG  28  23.871   1.547   2.455
  247   1HG   ARG  28          2HG       ARG  28  23.805   4.521   2.019
  248   2HG   ARG  28          1HG       ARG  28  23.300   3.693   3.493
  249   1HD   ARG  28          2HD       ARG  28  25.437   4.192   4.087
  250   2HD   ARG  28          1HD       ARG  28  25.739   2.656   3.276
  251    HE   ARG  28           HE       ARG  28  25.924   4.631   1.342
  252   1HH1  ARG  28          1HH1      ARG  28  27.568   3.753   4.291
  253   2HH1  ARG  28          2HH1      ARG  28  29.091   4.403   3.784
  254   1HH2  ARG  28          1HH2      ARG  28  27.922   5.486   0.666
  255   2HH2  ARG  28          2HH2      ARG  28  29.293   5.390   1.720
  256    H    LEU  29           H        LEU  29  25.167   0.401   2.128
  257    HA   LEU  29           HA       LEU  29  28.027   0.998   2.002
  258   1HB   LEU  29          2HB       LEU  29  28.300  -0.198   3.971
  259   2HB   LEU  29          1HB       LEU  29  26.751   0.592   4.156
  260    HG   LEU  29           HG       LEU  29  26.810  -2.221   3.154
  261   1HD1  LEU  29          1HD1      LEU  29  26.770  -3.044   5.459
  262   2HD1  LEU  29          2HD1      LEU  29  27.094  -1.413   6.044
  263   3HD1  LEU  29          3HD1      LEU  29  28.302  -2.257   5.076
  264   1HD2  LEU  29          1HD2      LEU  29  24.895  -0.375   4.472
  265   2HD2  LEU  29          2HD2      LEU  29  24.765  -2.093   4.844
  266   3HD2  LEU  29          3HD2      LEU  29  24.634  -1.541   3.175
  267    H    VAL  30           H        VAL  30  26.107  -0.853   0.134
  268    HA   VAL  30           HA       VAL  30  27.008  -3.376  -0.025
  269    HB   VAL  30           HB       VAL  30  25.308  -2.509  -1.521
  270   1HG1  VAL  30          1HG1      VAL  30  26.407  -0.379  -2.055
  271   2HG1  VAL  30          2HG1      VAL  30  25.884  -1.239  -3.505
  272   3HG1  VAL  30          3HG1      VAL  30  27.586  -1.246  -3.037
  273   1HG2  VAL  30          1HG2      VAL  30  25.675  -4.021  -3.196
  274   2HG2  VAL  30          2HG2      VAL  30  26.891  -4.560  -2.038
  275   3HG2  VAL  30          3HG2      VAL  30  27.361  -3.548  -3.403
  276    H    LEU  31           H        LEU  31  29.135  -0.684  -0.625
  277    HA   LEU  31           HA       LEU  31  31.371  -2.351  -0.832
  278   1HB   LEU  31          2HB       LEU  31  30.178  -2.803  -3.053
  279   2HB   LEU  31          1HB       LEU  31  30.658  -1.182  -3.509
  280    HG   LEU  31           HG       LEU  31  32.167  -2.947  -4.389
  281   1HD1  LEU  31          1HD1      LEU  31  33.604  -1.226  -2.386
  282   2HD1  LEU  31          2HD1      LEU  31  32.904  -0.587  -3.875
  283   3HD1  LEU  31          3HD1      LEU  31  34.187  -1.796  -3.950
  284   1HD2  LEU  31          1HD2      LEU  31  31.888  -4.325  -2.218
  285   2HD2  LEU  31          2HD2      LEU  31  33.206  -3.324  -1.608
  286   3HD2  LEU  31          3HD2      LEU  31  33.449  -4.327  -3.039
  287    H    ARG  32           H        ARG  32  31.819  -0.596   0.683
  288    HA   ARG  32           HA       ARG  32  32.166   2.085  -0.062
  289   1HB   ARG  32          2HB       ARG  32  32.253   1.768   2.237
  290   2HB   ARG  32          1HB       ARG  32  33.291   0.357   2.106
  291   1HG   ARG  32          2HG       ARG  32  34.356   2.391   3.108
  292   2HG   ARG  32          1HG       ARG  32  35.216   1.690   1.738
  293   1HD   ARG  32          2HD       ARG  32  33.412   3.585   0.682
  294   2HD   ARG  32          1HD       ARG  32  34.189   4.346   2.070
  295    HE   ARG  32           HE       ARG  32  35.356   3.915  -0.439
  296   1HH1  ARG  32          1HH1      ARG  32  36.134   3.603   2.949
  297   2HH1  ARG  32          2HH1      ARG  32  37.838   3.777   2.700
  298   1HH2  ARG  32          1HH2      ARG  32  37.595   4.153  -0.766
  299   2HH2  ARG  32          2HH2      ARG  32  38.668   4.092   0.593
  300    H    CYS  33           H        CYS  33  34.578  -0.523   0.147
  301    HA   CYS  33           HA       CYS  33  35.958  -0.447  -2.114
  302   1HB   CYS  33          2HB       CYS  33  36.428   2.090  -0.693
  303   2HB   CYS  33          1HB       CYS  33  37.876   1.279  -1.260
  304    HG   CYS  33           HG       CYS  33  37.231   1.699  -3.646
  305    H    SER  34           H        SER  34  36.755   0.400   1.182
  306    HA   SER  34           HA       SER  34  37.678  -2.030   2.053
  307   1HB   SER  34          2HB       SER  34  40.202  -1.606   1.986
  308   2HB   SER  34          1HB       SER  34  39.449  -2.094   0.471
  309    HG   SER  34           HG       SER  34  40.962  -0.145   0.593
  Start of MODEL   10
    1   1H    CYS   1          1HT       CYS   1 -33.044  -6.846  -1.269
    2   2H    CYS   1          2HT       CYS   1 -34.506  -7.659  -0.881
    3   3H    CYS   1          3HT       CYS   1 -33.958  -6.355   0.093
    4    HA   CYS   1           HA       CYS   1 -34.561  -6.038  -2.754
    5   1HB   CYS   1          2HB       CYS   1 -36.440  -6.946  -1.068
    6   2HB   CYS   1          1HB       CYS   1 -36.537  -5.231  -0.680
    7    HG   CYS   1           HG       CYS   1 -38.215  -5.742  -2.602
    8    H    TRP   2           H        TRP   2 -32.571  -4.985  -0.681
    9    HA   TRP   2           HA       TRP   2 -33.444  -2.273  -0.273
   10   1HB   TRP   2          2HB       TRP   2 -31.580  -3.900   0.975
   11   2HB   TRP   2          1HB       TRP   2 -30.594  -2.718   0.118
   12    HD1  TRP   2           HD       TRP   2 -32.593  -3.111   3.236
   13    HE1  TRP   2           1HE      TRP   2 -32.791  -0.840   4.439
   14    HE3  TRP   2           3HE      TRP   2 -30.883  -0.090  -0.481
   15    HZ2  TRP   2           2HZ      TRP   2 -32.285   1.887   3.863
   16    HZ3  TRP   2           3HZ      TRP   2 -30.755   2.319  -0.099
   17    HH2  TRP   2           HH       TRP   2 -31.446   3.300   2.033
   18    H    LEU   3           H        LEU   3 -32.666  -0.444  -1.208
   19    HA   LEU   3           HA       LEU   3 -31.856  -0.713  -3.948
   20   1HB   LEU   3          2HB       LEU   3 -33.606   0.825  -3.332
   21   2HB   LEU   3          1HB       LEU   3 -32.531   1.675  -2.249
   22    HG   LEU   3           HG       LEU   3 -31.147   2.062  -4.469
   23   1HD1  LEU   3          1HD1      LEU   3 -32.215   1.823  -6.430
   24   2HD1  LEU   3          2HD1      LEU   3 -33.760   2.353  -5.769
   25   3HD1  LEU   3          3HD1      LEU   3 -33.232   0.685  -5.549
   26   1HD2  LEU   3          1HD2      LEU   3 -32.580   3.617  -2.842
   27   2HD2  LEU   3          2HD2      LEU   3 -33.562   3.765  -4.298
   28   3HD2  LEU   3          3HD2      LEU   3 -31.858   4.214  -4.337
   29    H    CYS   4           H        CYS   4 -30.698   1.805  -1.765
   30    HA   CYS   4           HA       CYS   4 -28.156   1.903  -3.068
   31   1HB   CYS   4          2HB       CYS   4 -29.733   3.565  -1.326
   32   2HB   CYS   4          1HB       CYS   4 -28.051   3.546  -0.811
   33    HG   CYS   4           HG       CYS   4 -28.840   4.372  -3.707
   34    H    ARG   5           H        ARG   5 -29.191   0.388  -0.145
   35    HA   ARG   5           HA       ARG   5 -26.897   0.469   1.391
   36   1HB   ARG   5          2HB       ARG   5 -29.324  -0.765   1.619
   37   2HB   ARG   5          1HB       ARG   5 -28.240  -2.135   1.464
   38   1HG   ARG   5          2HG       ARG   5 -28.269  -1.853   3.734
   39   2HG   ARG   5          1HG       ARG   5 -26.867  -0.869   3.302
   40   1HD   ARG   5          2HD       ARG   5 -27.851   0.829   4.369
   41   2HD   ARG   5          1HD       ARG   5 -29.045   0.857   3.072
   42    HE   ARG   5           HE       ARG   5 -29.756  -1.076   5.006
   43   1HH1  ARG   5          1HH1      ARG   5 -29.644   2.384   4.541
   44   2HH1  ARG   5          2HH1      ARG   5 -30.958   2.696   5.626
   45   1HH2  ARG   5          1HH2      ARG   5 -31.491  -0.659   6.430
   46   2HH2  ARG   5          2HH2      ARG   5 -32.002   0.975   6.698
   47    H    ALA   6           H        ALA   6 -27.394  -1.205  -1.541
   48    HA   ALA   6           HA       ALA   6 -25.376  -3.191  -1.161
   49   1HB   ALA   6          1HB       ALA   6 -25.779  -2.817  -3.899
   50   2HB   ALA   6          2HB       ALA   6 -27.334  -2.464  -3.140
   51   3HB   ALA   6          3HB       ALA   6 -26.542  -4.019  -2.858
   52    H    LEU   7           H        LEU   7 -25.504  -0.086  -2.885
   53    HA   LEU   7           HA       LEU   7 -22.863  -0.240  -3.870
   54   1HB   LEU   7          2HB       LEU   7 -23.533   2.487  -3.689
   55   2HB   LEU   7          1HB       LEU   7 -23.569   1.463  -5.108
   56    HG   LEU   7           HG       LEU   7 -25.900   1.643  -3.225
   57   1HD1  LEU   7          1HD1      LEU   7 -25.121   3.482  -5.451
   58   2HD1  LEU   7          2HD1      LEU   7 -25.707   3.867  -3.833
   59   3HD1  LEU   7          3HD1      LEU   7 -26.816   3.218  -5.039
   60   1HD2  LEU   7          1HD2      LEU   7 -26.968   0.318  -4.687
   61   2HD2  LEU   7          2HD2      LEU   7 -25.363  -0.059  -5.313
   62   3HD2  LEU   7          3HD2      LEU   7 -26.337   1.195  -6.080
   63    H    ILE   8           H        ILE   8 -24.225   0.841  -0.850
   64    HA   ILE   8           HA       ILE   8 -21.954   2.358  -0.124
   65    HB   ILE   8           HB       ILE   8 -22.799   1.874   2.308
   66   1HG1  ILE   8          2HG1      ILE   8 -25.498   1.650   1.263
   67   2HG1  ILE   8          1HG1      ILE   8 -24.530   0.228   0.901
   68   1HG2  ILE   8          1HG2      ILE   8 -24.745   3.478   0.758
   69   2HG2  ILE   8          2HG2      ILE   8 -23.042   3.928   0.659
   70   3HG2  ILE   8          3HG2      ILE   8 -23.851   3.879   2.225
   71   1HD1  ILE   8          1HD1      ILE   8 -25.815   0.894   3.313
   72   2HD1  ILE   8          2HD1      ILE   8 -24.079   0.971   3.608
   73   3HD1  ILE   8          3HD1      ILE   8 -24.799  -0.505   2.967
   74    H    LYS   9           H        LYS   9 -22.959  -0.968   0.654
   75    HA   LYS   9           HA       LYS   9 -20.688  -1.600   2.205
   76   1HB   LYS   9          2HB       LYS   9 -22.500  -3.400   0.592
   77   2HB   LYS   9          1HB       LYS   9 -21.348  -3.965   1.787
   78   1HG   LYS   9          2HG       LYS   9 -22.558  -2.721   3.524
   79   2HG   LYS   9          1HG       LYS   9 -23.730  -2.198   2.310
   80   1HD   LYS   9          2HD       LYS   9 -23.161  -5.109   2.734
   81   2HD   LYS   9          1HD       LYS   9 -24.281  -4.250   3.793
   82   1HE   LYS   9          2HE       LYS   9 -24.708  -3.801   0.924
   83   2HE   LYS   9          1HE       LYS   9 -24.960  -5.463   1.455
   84   1HZ   LYS   9          1HZ       LYS   9 -26.899  -3.770   1.534
   85   2HZ   LYS   9          2HZ       LYS   9 -26.176  -3.261   2.975
   86   3HZ   LYS   9          3HZ       LYS   9 -26.694  -4.863   2.811
   87    H    ARG  10           H        ARG  10 -21.123  -1.265  -1.158
   88    HA   ARG  10           HA       ARG  10 -19.087  -2.959  -2.114
   89   1HB   ARG  10          2HB       ARG  10 -20.714  -0.753  -3.190
   90   2HB   ARG  10          1HB       ARG  10 -19.127  -0.891  -3.922
   91   1HG   ARG  10          2HG       ARG  10 -21.480  -2.362  -4.481
   92   2HG   ARG  10          1HG       ARG  10 -19.904  -2.453  -5.261
   93   1HD   ARG  10          2HD       ARG  10 -20.432  -4.646  -4.561
   94   2HD   ARG  10          1HD       ARG  10 -19.220  -4.055  -3.433
   95    HE   ARG  10           HE       ARG  10 -20.810  -4.067  -1.746
   96   1HH1  ARG  10          1HH1      ARG  10 -22.305  -4.764  -4.824
   97   2HH1  ARG  10          2HH1      ARG  10 -23.805  -5.268  -4.124
   98   1HH2  ARG  10          1HH2      ARG  10 -22.779  -4.749  -0.819
   99   2HH2  ARG  10          2HH2      ARG  10 -24.075  -5.263  -1.846
  100    H    ILE  11           H        ILE  11 -19.083   0.564  -1.611
  101    HA   ILE  11           HA       ILE  11 -16.339   0.920  -1.982
  102    HB   ILE  11           HB       ILE  11 -18.012   2.475  -0.012
  103   1HG1  ILE  11          2HG1      ILE  11 -17.734   3.662  -2.658
  104   2HG1  ILE  11          1HG1      ILE  11 -18.583   2.120  -2.717
  105   1HG2  ILE  11          1HG2      ILE  11 -16.438   4.139  -0.124
  106   2HG2  ILE  11          2HG2      ILE  11 -15.863   3.641  -1.714
  107   3HG2  ILE  11          3HG2      ILE  11 -15.419   2.709  -0.285
  108   1HD1  ILE  11          1HD1      ILE  11 -20.409   3.265  -2.201
  109   2HD1  ILE  11          2HD1      ILE  11 -19.477   4.698  -1.763
  110   3HD1  ILE  11          3HD1      ILE  11 -19.740   3.419  -0.577
  111    H    GLN  12           H        GLN  12 -18.212  -0.251   0.720
  112    HA   GLN  12           HA       GLN  12 -16.309  -0.033   2.775
  113   1HB   GLN  12          2HB       GLN  12 -18.549  -0.623   3.353
  114   2HB   GLN  12          1HB       GLN  12 -18.518  -2.035   2.313
  115   1HG   GLN  12          2HG       GLN  12 -16.509  -1.964   4.464
  116   2HG   GLN  12          1HG       GLN  12 -18.191  -2.138   4.962
  117   1HE2  GLN  12          1HE2      GLN  12 -15.458  -3.668   3.633
  118   2HE2  GLN  12          2HE2      GLN  12 -16.168  -5.222   3.361
  119    H    ALA  13           H        ALA  13 -16.533  -2.268   0.109
  120    HA   ALA  13           HA       ALA  13 -14.570  -4.064   1.260
  121   1HB   ALA  13          1HB       ALA  13 -15.983  -5.357   0.071
  122   2HB   ALA  13          2HB       ALA  13 -14.812  -5.024  -1.205
  123   3HB   ALA  13          3HB       ALA  13 -16.311  -4.098  -1.118
  124    H    MET  14           H        MET  14 -14.675  -1.920  -1.531
  125    HA   MET  14           HA       MET  14 -12.090  -2.478  -2.482
  126   1HB   MET  14          2HB       MET  14 -12.640   0.150  -3.285
  127   2HB   MET  14          1HB       MET  14 -12.893  -1.326  -4.199
  128   1HG   MET  14          2HG       MET  14 -15.156  -1.453  -3.569
  129   2HG   MET  14          1HG       MET  14 -14.943  -0.255  -2.294
  130   1HE   MET  14          1HE       MET  14 -14.763   1.971  -2.420
  131   2HE   MET  14          2HE       MET  14 -15.431   2.998  -3.686
  132   3HE   MET  14          3HE       MET  14 -13.726   2.554  -3.719
  133    H    ILE  15           H        ILE  15 -12.865  -0.745   0.308
  134    HA   ILE  15           HA       ILE  15 -11.317   1.298   0.477
  135    HB   ILE  15           HB       ILE  15 -10.695   0.067   2.894
  136   1HG1  ILE  15          2HG1      ILE  15 -13.647   0.032   2.317
  137   2HG1  ILE  15          1HG1      ILE  15 -12.650  -1.386   2.014
  138   1HG2  ILE  15          1HG2      ILE  15 -11.441   1.990   3.769
  139   2HG2  ILE  15          2HG2      ILE  15 -12.909   1.994   2.794
  140   3HG2  ILE  15          3HG2      ILE  15 -11.388   2.544   2.095
  141   1HD1  ILE  15          1HD1      ILE  15 -13.641  -0.300   4.522
  142   2HD1  ILE  15          2HD1      ILE  15 -11.921  -0.694   4.552
  143   3HD1  ILE  15          3HD1      ILE  15 -13.101  -1.931   4.119
  144    HA   PRO  16           HA       PRO  16  -7.408  -1.286   1.949
  145   1HB   PRO  16          2HB       PRO  16  -7.904  -3.198  -0.267
  146   2HB   PRO  16          1HB       PRO  16  -7.324  -3.497   1.373
  147   1HG   PRO  16          2HG       PRO  16  -9.899  -3.977   0.653
  148   2HG   PRO  16          1HG       PRO  16  -9.445  -3.461   2.286
  149   1HD   PRO  16          2HD       PRO  16 -10.798  -1.868   0.158
  150   2HD   PRO  16          1HD       PRO  16 -10.809  -1.600   1.873
  151    H    LYS  17           H        LYS  17  -5.336  -1.364   1.211
  152    HA   LYS  17           HA       LYS  17  -3.983  -1.349  -1.043
  153   1HB   LYS  17          2HB       LYS  17  -5.769   0.769  -1.450
  154   2HB   LYS  17          1HB       LYS  17  -4.259   1.560  -1.037
  155   1HG   LYS  17          2HG       LYS  17  -3.793   1.371  -3.205
  156   2HG   LYS  17          1HG       LYS  17  -3.423  -0.313  -2.825
  157   1HD   LYS  17          2HD       LYS  17  -5.785  -0.889  -3.350
  158   2HD   LYS  17          1HD       LYS  17  -6.039   0.781  -3.859
  159   1HE   LYS  17          2HE       LYS  17  -5.450   0.054  -5.891
  160   2HE   LYS  17          1HE       LYS  17  -3.801   0.092  -5.267
  161   1HZ   LYS  17          1HZ       LYS  17  -5.555  -2.293  -5.087
  162   2HZ   LYS  17          2HZ       LYS  17  -3.893  -2.211  -4.781
  163   3HZ   LYS  17          3HZ       LYS  17  -4.472  -2.030  -6.361
  164    H    GLY  18           H        GLY  18  -1.803  -0.314  -0.956
  165   1HA   GLY  18          2HA       GLY  18  -1.042   1.345   1.213
  166   2HA   GLY  18          1HA       GLY  18  -0.754  -0.329   1.641
  167    H    GLY  19           H        GLY  19   0.873  -1.507   0.521
  168   1HA   GLY  19          2HA       GLY  19   2.998  -1.763  -0.369
  169   2HA   GLY  19          1HA       GLY  19   2.445  -0.679  -1.630
  170    H    ARG  20           H        ARG  20   5.132  -0.836  -0.735
  171    HA   ARG  20           HA       ARG  20   6.469   1.235  -0.810
  172   1HB   ARG  20          2HB       ARG  20   4.748   2.685   0.145
  173   2HB   ARG  20          1HB       ARG  20   4.889   1.866   1.694
  174   1HG   ARG  20          2HG       ARG  20   7.465   2.793   0.898
  175   2HG   ARG  20          1HG       ARG  20   6.306   4.115   0.762
  176   1HD   ARG  20          2HD       ARG  20   6.619   4.404   2.954
  177   2HD   ARG  20          1HD       ARG  20   5.630   2.961   3.161
  178    HE   ARG  20           HE       ARG  20   8.284   2.169   2.754
  179   1HH1  ARG  20          1HH1      ARG  20   6.340   3.809   5.147
  180   2HH1  ARG  20          2HH1      ARG  20   7.341   3.319   6.473
  181   1HH2  ARG  20          1HH2      ARG  20   9.595   1.524   4.497
  182   2HH2  ARG  20          2HH2      ARG  20   9.189   2.023   6.104
  183    H    MET  21           H        MET  21   7.904  -0.528  -0.624
  184    HA   MET  21           HA       MET  21   8.654  -1.366   2.067
  185   1HB   MET  21          2HB       MET  21  10.286  -2.864   0.778
  186   2HB   MET  21          1HB       MET  21   8.573  -3.233   0.655
  187   1HG   MET  21          2HG       MET  21   9.396  -1.415  -1.431
  188   2HG   MET  21          1HG       MET  21  10.383  -2.871  -1.423
  189   1HE   MET  21          1HE       MET  21   7.361  -2.919  -4.171
  190   2HE   MET  21          2HE       MET  21   9.118  -3.051  -4.090
  191   3HE   MET  21          3HE       MET  21   8.319  -1.581  -3.537
  192    H    LEU  22           H        LEU  22  10.222  -0.057  -0.797
  193    HA   LEU  22           HA       LEU  22  12.010   1.332  -1.107
  194   1HB   LEU  22          2HB       LEU  22  10.792   2.809   0.374
  195   2HB   LEU  22          1HB       LEU  22  11.475   2.013   1.778
  196    HG   LEU  22           HG       LEU  22  13.445   3.142  -0.108
  197   1HD1  LEU  22          1HD1      LEU  22  11.941   4.951  -0.278
  198   2HD1  LEU  22          2HD1      LEU  22  13.124   5.419   0.943
  199   3HD1  LEU  22          3HD1      LEU  22  11.524   4.864   1.434
  200   1HD2  LEU  22          1HD2      LEU  22  14.591   2.553   1.719
  201   2HD2  LEU  22          2HD2      LEU  22  13.149   2.534   2.734
  202   3HD2  LEU  22          3HD2      LEU  22  13.978   4.055   2.410
  203    HA   PRO  23           HA       PRO  23  15.324  -1.249   0.789
  204   1HB   PRO  23          2HB       PRO  23  15.908  -2.739  -1.357
  205   2HB   PRO  23          1HB       PRO  23  14.476  -3.060  -0.373
  206   1HG   PRO  23          2HG       PRO  23  14.652  -1.979  -3.098
  207   2HG   PRO  23          1HG       PRO  23  13.262  -2.687  -2.262
  208   1HD   PRO  23          2HD       PRO  23  13.977   0.136  -2.588
  209   2HD   PRO  23          1HD       PRO  23  12.444  -0.570  -2.023
  210    H    GLN  24           H        GLN  24  16.417   1.033   0.649
  211    HA   GLN  24           HA       GLN  24  18.195   1.370  -1.649
  212   1HB   GLN  24          2HB       GLN  24  18.623   3.550  -0.850
  213   2HB   GLN  24          1HB       GLN  24  16.907   3.273  -0.584
  214   1HG   GLN  24          2HG       GLN  24  17.410   4.146   1.436
  215   2HG   GLN  24          1HG       GLN  24  17.811   2.468   1.785
  216   1HE2  GLN  24          1HE2      GLN  24  19.232   5.501   0.647
  217   2HE2  GLN  24          2HE2      GLN  24  20.786   5.243   1.356
  218    H    LEU  25           H        LEU  25  18.334   0.452   1.674
  219    HA   LEU  25           HA       LEU  25  20.693   0.852   2.718
  220   1HB   LEU  25          2HB       LEU  25  18.835  -1.011   3.190
  221   2HB   LEU  25          1HB       LEU  25  20.121  -2.037   2.617
  222    HG   LEU  25           HG       LEU  25  20.389  -2.029   4.933
  223   1HD1  LEU  25          1HD1      LEU  25  22.508  -0.993   5.325
  224   2HD1  LEU  25          2HD1      LEU  25  22.246   0.159   4.015
  225   3HD1  LEU  25          3HD1      LEU  25  22.467  -1.553   3.653
  226   1HD2  LEU  25          1HD2      LEU  25  20.152  -0.196   6.382
  227   2HD2  LEU  25          2HD2      LEU  25  18.834  -0.026   5.224
  228   3HD2  LEU  25          3HD2      LEU  25  20.278   0.973   5.066
  229    H    VAL  26           H        VAL  26  20.426  -2.039   0.669
  230    HA   VAL  26           HA       VAL  26  22.929  -2.870   0.662
  231    HB   VAL  26           HB       VAL  26  22.619  -3.358  -1.924
  232   1HG1  VAL  26          1HG1      VAL  26  22.382  -4.830   0.227
  233   2HG1  VAL  26          2HG1      VAL  26  21.774  -5.403  -1.325
  234   3HG1  VAL  26          3HG1      VAL  26  20.660  -4.720  -0.141
  235   1HG2  VAL  26          1HG2      VAL  26  20.527  -1.688  -1.671
  236   2HG2  VAL  26          2HG2      VAL  26  19.735  -3.221  -1.304
  237   3HG2  VAL  26          3HG2      VAL  26  20.581  -3.009  -2.837
  238    H    CYS  27           H        CYS  27  22.200  -1.007  -2.306
  239    HA   CYS  27           HA       CYS  27  24.723  -0.486  -3.056
  240   1HB   CYS  27          2HB       CYS  27  22.405   0.363  -4.023
  241   2HB   CYS  27          1HB       CYS  27  22.923   1.865  -3.261
  242    HG   CYS  27           HG       CYS  27  25.191   0.908  -4.917
  243    H    ARG  28           H        ARG  28  23.084   1.166  -0.393
  244    HA   ARG  28           HA       ARG  28  24.883   3.297  -0.101
  245   1HB   ARG  28          2HB       ARG  28  22.676   2.754   1.184
  246   2HB   ARG  28          1HB       ARG  28  23.738   1.934   2.316
  247   1HG   ARG  28          2HG       ARG  28  23.791   4.847   1.559
  248   2HG   ARG  28          1HG       ARG  28  23.323   4.152   3.111
  249   1HD   ARG  28          2HD       ARG  28  25.479   4.832   3.547
  250   2HD   ARG  28          1HD       ARG  28  25.734   3.153   3.068
  251    HE   ARG  28           HE       ARG  28  25.914   4.789   0.796
  252   1HH1  ARG  28          1HH1      ARG  28  27.663   4.090   3.733
  253   2HH1  ARG  28          2HH1      ARG  28  29.202   4.520   3.068
  254   1HH2  ARG  28          1HH2      ARG  28  27.936   5.353  -0.083
  255   2HH2  ARG  28          2HH2      ARG  28  29.357   5.240   0.899
  256    H    LEU  29           H        LEU  29  24.922   0.498   2.105
  257    HA   LEU  29           HA       LEU  29  27.782   0.856   2.535
  258   1HB   LEU  29          2HB       LEU  29  27.509  -0.255   4.512
  259   2HB   LEU  29          1HB       LEU  29  25.906   0.415   4.304
  260    HG   LEU  29           HG       LEU  29  25.387  -1.728   4.952
  261   1HD1  LEU  29          1HD1      LEU  29  24.878  -1.217   2.315
  262   2HD1  LEU  29          2HD1      LEU  29  24.203  -2.538   3.258
  263   3HD1  LEU  29          3HD1      LEU  29  25.633  -2.805   2.266
  264   1HD2  LEU  29          1HD2      LEU  29  28.025  -2.243   4.539
  265   2HD2  LEU  29          2HD2      LEU  29  27.263  -3.278   3.332
  266   3HD2  LEU  29          3HD2      LEU  29  26.827  -3.440   5.033
  267    H    VAL  30           H        VAL  30  26.039  -0.810   0.340
  268    HA   VAL  30           HA       VAL  30  26.583  -3.367   0.166
  269    HB   VAL  30           HB       VAL  30  25.495  -2.220  -1.631
  270   1HG1  VAL  30          1HG1      VAL  30  27.145  -0.287  -1.607
  271   2HG1  VAL  30          2HG1      VAL  30  26.592  -0.824  -3.193
  272   3HG1  VAL  30          3HG1      VAL  30  28.186  -1.296  -2.609
  273   1HG2  VAL  30          1HG2      VAL  30  27.906  -3.579  -2.814
  274   2HG2  VAL  30          2HG2      VAL  30  26.260  -3.532  -3.441
  275   3HG2  VAL  30          3HG2      VAL  30  26.622  -4.463  -1.989
  276    H    LEU  31           H        LEU  31  29.115  -1.081  -0.907
  277    HA   LEU  31           HA       LEU  31  31.023  -3.224  -0.323
  278   1HB   LEU  31          2HB       LEU  31  30.529  -3.102  -2.750
  279   2HB   LEU  31          1HB       LEU  31  31.078  -1.446  -2.772
  280    HG   LEU  31           HG       LEU  31  32.584  -3.753  -3.277
  281   1HD1  LEU  31          1HD1      LEU  31  34.440  -1.766  -2.974
  282   2HD1  LEU  31          2HD1      LEU  31  32.950  -0.863  -3.239
  283   3HD1  LEU  31          3HD1      LEU  31  33.475  -2.063  -4.418
  284   1HD2  LEU  31          1HD2      LEU  31  32.762  -3.950  -0.764
  285   2HD2  LEU  31          2HD2      LEU  31  33.686  -2.449  -0.802
  286   3HD2  LEU  31          3HD2      LEU  31  34.285  -3.874  -1.647
  287    H    ARG  32           H        ARG  32  31.804  -0.161  -1.779
  288    HA   ARG  32           HA       ARG  32  32.272   1.759  -0.164
  289   1HB   ARG  32          2HB       ARG  32  32.983   0.662   1.782
  290   2HB   ARG  32          1HB       ARG  32  33.949  -0.506   0.894
  291   1HG   ARG  32          2HG       ARG  32  35.243   1.167   2.237
  292   2HG   ARG  32          1HG       ARG  32  35.683   1.064   0.532
  293   1HD   ARG  32          2HD       ARG  32  34.752   3.113   0.032
  294   2HD   ARG  32          1HD       ARG  32  33.643   3.058   1.401
  295    HE   ARG  32           HE       ARG  32  35.221   4.170   2.606
  296   1HH1  ARG  32          1HH1      ARG  32  36.842   2.490   0.010
  297   2HH1  ARG  32          2HH1      ARG  32  38.409   3.093   0.428
  298   1HH2  ARG  32          1HH2      ARG  32  37.286   4.977   3.147
  299   2HH2  ARG  32          2HH2      ARG  32  38.660   4.504   2.206
  300    H    CYS  33           H        CYS  33  34.576  -0.593  -1.415
  301    HA   CYS  33           HA       CYS  33  35.321   0.262  -3.807
  302   1HB   CYS  33          2HB       CYS  33  36.183   2.250  -1.818
  303   2HB   CYS  33          1HB       CYS  33  37.463   1.703  -2.885
  304    HG   CYS  33           HG       CYS  33  36.431   2.891  -4.800
  305    H    SER  34           H        SER  34  36.809   0.017  -0.683
  306    HA   SER  34           HA       SER  34  37.916  -2.517  -1.064
  307   1HB   SER  34          2HB       SER  34  39.532  -1.695  -2.543
  308   2HB   SER  34          1HB       SER  34  39.716  -0.187  -1.645
  309    HG   SER  34           HG       SER  34  41.387  -1.190  -0.843
  Start of MODEL   11
    1   1H    CYS   1          1HT       CYS   1 -35.471  -3.527   3.172
    2   2H    CYS   1          2HT       CYS   1 -37.140  -3.433   3.560
    3   3H    CYS   1          3HT       CYS   1 -36.213  -1.998   3.380
    4    HA   CYS   1           HA       CYS   1 -36.425  -3.894   1.179
    5   1HB   CYS   1          2HB       CYS   1 -38.533  -2.094   2.273
    6   2HB   CYS   1          1HB       CYS   1 -38.338  -2.142   0.527
    7    HG   CYS   1           HG       CYS   1 -40.096  -3.920   1.225
    8    H    TRP   2           H        TRP   2 -34.183  -2.404   1.795
    9    HA   TRP   2           HA       TRP   2 -34.384  -0.293  -0.230
   10   1HB   TRP   2          2HB       TRP   2 -33.842   0.142   2.505
   11   2HB   TRP   2          1HB       TRP   2 -32.337   0.425   1.638
   12    HD1  TRP   2           HD       TRP   2 -34.963   2.492   2.817
   13    HE1  TRP   2           1HE      TRP   2 -35.420   4.503   1.259
   14    HE3  TRP   2           3HE      TRP   2 -32.563   0.833  -1.317
   15    HZ2  TRP   2           2HZ      TRP   2 -34.796   5.269  -1.425
   16    HZ3  TRP   2           3HZ      TRP   2 -32.480   2.186  -3.330
   17    HH2  TRP   2           HH       TRP   2 -33.595   4.395  -3.399
   18    H    LEU   3           H        LEU   3 -33.235  -0.688  -1.869
   19    HA   LEU   3           HA       LEU   3 -31.201  -2.645  -1.973
   20   1HB   LEU   3          2HB       LEU   3 -30.909  -1.573  -4.343
   21   2HB   LEU   3          1HB       LEU   3 -32.264  -2.598  -3.942
   22    HG   LEU   3           HG       LEU   3 -32.494   0.370  -3.677
   23   1HD1  LEU   3          1HD1      LEU   3 -32.869  -1.226  -6.202
   24   2HD1  LEU   3          2HD1      LEU   3 -31.694   0.061  -5.924
   25   3HD1  LEU   3          3HD1      LEU   3 -33.419   0.431  -5.962
   26   1HD2  LEU   3          1HD2      LEU   3 -34.594  -0.087  -3.168
   27   2HD2  LEU   3          2HD2      LEU   3 -34.190  -1.804  -3.195
   28   3HD2  LEU   3          3HD2      LEU   3 -34.802  -1.018  -4.652
   29    H    CYS   4           H        CYS   4 -31.198   0.834  -1.942
   30    HA   CYS   4           HA       CYS   4 -28.730   1.577  -2.706
   31   1HB   CYS   4          2HB       CYS   4 -30.772   2.597  -0.989
   32   2HB   CYS   4          1HB       CYS   4 -29.217   2.916  -0.252
   33    HG   CYS   4           HG       CYS   4 -30.361   4.444  -2.531
   34    H    ARG   5           H        ARG   5 -29.501  -0.470  -0.051
   35    HA   ARG   5           HA       ARG   5 -27.208  -0.088   1.557
   36   1HB   ARG   5          2HB       ARG   5 -29.420  -1.728   1.662
   37   2HB   ARG   5          1HB       ARG   5 -28.123  -2.873   1.351
   38   1HG   ARG   5          2HG       ARG   5 -28.094  -2.858   3.622
   39   2HG   ARG   5          1HG       ARG   5 -26.946  -1.553   3.303
   40   1HD   ARG   5          2HD       ARG   5 -28.323  -0.565   4.862
   41   2HD   ARG   5          1HD       ARG   5 -29.091  -0.061   3.358
   42    HE   ARG   5           HE       ARG   5 -30.119  -2.508   4.510
   43   1HH1  ARG   5          1HH1      ARG   5 -30.437   0.958   4.267
   44   2HH1  ARG   5          2HH1      ARG   5 -32.093   0.967   4.774
   45   1HH2  ARG   5          1HH2      ARG   5 -32.298  -2.499   5.180
   46   2HH2  ARG   5          2HH2      ARG   5 -33.148  -0.995   5.296
   47    H    ALA   6           H        ALA   6 -27.539  -1.288  -1.574
   48    HA   ALA   6           HA       ALA   6 -25.356  -3.104  -1.653
   49   1HB   ALA   6          1HB       ALA   6 -27.327  -1.968  -3.484
   50   2HB   ALA   6          2HB       ALA   6 -26.586  -3.572  -3.468
   51   3HB   ALA   6          3HB       ALA   6 -25.746  -2.222  -4.231
   52    H    LEU   7           H        LEU   7 -25.766   0.296  -2.608
   53    HA   LEU   7           HA       LEU   7 -23.187   0.642  -3.637
   54   1HB   LEU   7          2HB       LEU   7 -23.986   3.141  -2.608
   55   2HB   LEU   7          1HB       LEU   7 -24.036   2.592  -4.269
   56    HG   LEU   7           HG       LEU   7 -26.283   2.123  -2.327
   57   1HD1  LEU   7          1HD1      LEU   7 -27.251   4.017  -3.947
   58   2HD1  LEU   7          2HD1      LEU   7 -25.559   4.510  -3.894
   59   3HD1  LEU   7          3HD1      LEU   7 -26.482   4.368  -2.398
   60   1HD2  LEU   7          1HD2      LEU   7 -27.340   1.087  -4.003
   61   2HD2  LEU   7          2HD2      LEU   7 -25.762   0.995  -4.785
   62   3HD2  LEU   7          3HD2      LEU   7 -26.863   2.317  -5.173
   63    H    ILE   8           H        ILE   8 -24.491   0.868  -0.403
   64    HA   ILE   8           HA       ILE   8 -22.176   2.122   0.608
   65    HB   ILE   8           HB       ILE   8 -22.923   1.334   2.880
   66   1HG1  ILE   8          2HG1      ILE   8 -25.542   0.617   2.463
   67   2HG1  ILE   8          1HG1      ILE   8 -24.708  -0.223   1.165
   68   1HG2  ILE   8          1HG2      ILE   8 -25.278   2.604   1.612
   69   2HG2  ILE   8          2HG2      ILE   8 -23.723   3.421   1.450
   70   3HG2  ILE   8          3HG2      ILE   8 -24.373   3.070   3.052
   71   1HD1  ILE   8          1HD1      ILE   8 -23.181  -1.203   2.855
   72   2HD1  ILE   8          2HD1      ILE   8 -24.867  -1.685   3.043
   73   3HD1  ILE   8          3HD1      ILE   8 -24.174  -0.461   4.108
   74    H    LYS   9           H        LYS   9 -23.102  -1.271   0.260
   75    HA   LYS   9           HA       LYS   9 -20.835  -2.323   1.625
   76   1HB   LYS   9          2HB       LYS   9 -22.047  -3.856  -0.637
   77   2HB   LYS   9          1HB       LYS   9 -21.520  -4.424   0.940
   78   1HG   LYS   9          2HG       LYS   9 -23.563  -2.968   1.758
   79   2HG   LYS   9          1HG       LYS   9 -24.108  -3.258   0.104
   80   1HD   LYS   9          2HD       LYS   9 -23.156  -5.720   1.114
   81   2HD   LYS   9          1HD       LYS   9 -24.200  -5.015   2.350
   82   1HE   LYS   9          2HE       LYS   9 -25.079  -5.062  -0.510
   83   2HE   LYS   9          1HE       LYS   9 -25.224  -6.514   0.480
   84   1HZ   LYS   9          1HZ       LYS   9 -26.810  -4.132   0.500
   85   2HZ   LYS   9          2HZ       LYS   9 -26.262  -4.541   2.046
   86   3HZ   LYS   9          3HZ       LYS   9 -27.151  -5.660   1.143
   87    H    ARG  10           H        ARG  10 -21.192  -0.761  -1.310
   88    HA   ARG  10           HA       ARG  10 -19.158  -1.963  -2.872
   89   1HB   ARG  10          2HB       ARG  10 -20.889   0.382  -3.027
   90   2HB   ARG  10          1HB       ARG  10 -19.278   0.708  -3.643
   91   1HG   ARG  10          2HG       ARG  10 -20.520   0.035  -5.487
   92   2HG   ARG  10          1HG       ARG  10 -19.567  -1.383  -5.047
   93   1HD   ARG  10          2HD       ARG  10 -22.371  -0.978  -4.060
   94   2HD   ARG  10          1HD       ARG  10 -22.041  -1.731  -5.615
   95    HE   ARG  10           HE       ARG  10 -20.531  -3.021  -3.626
   96   1HH1  ARG  10          1HH1      ARG  10 -23.834  -2.660  -4.686
   97   2HH1  ARG  10          2HH1      ARG  10 -24.330  -4.205  -4.082
   98   1HH2  ARG  10          1HH2      ARG  10 -21.179  -5.053  -2.826
   99   2HH2  ARG  10          2HH2      ARG  10 -22.822  -5.564  -3.028
  100    H    ILE  11           H        ILE  11 -19.282   1.035  -0.994
  101    HA   ILE  11           HA       ILE  11 -16.597   1.723  -1.114
  102    HB   ILE  11           HB       ILE  11 -18.371   2.055   1.297
  103   1HG1  ILE  11          2HG1      ILE  11 -18.249   4.444  -0.216
  104   2HG1  ILE  11          1HG1      ILE  11 -18.595   3.150  -1.360
  105   1HG2  ILE  11          1HG2      ILE  11 -15.683   2.671   0.947
  106   2HG2  ILE  11          2HG2      ILE  11 -16.754   3.292   2.203
  107   3HG2  ILE  11          3HG2      ILE  11 -16.524   4.204   0.713
  108   1HD1  ILE  11          1HD1      ILE  11 -20.228   2.786   0.938
  109   2HD1  ILE  11          2HD1      ILE  11 -20.705   3.134  -0.723
  110   3HD1  ILE  11          3HD1      ILE  11 -20.368   4.456   0.392
  111    H    GLN  12           H        GLN  12 -18.305  -0.544   0.921
  112    HA   GLN  12           HA       GLN  12 -16.319  -1.200   2.780
  113   1HB   GLN  12          2HB       GLN  12 -18.555  -2.040   3.043
  114   2HB   GLN  12          1HB       GLN  12 -18.466  -2.895   1.514
  115   1HG   GLN  12          2HG       GLN  12 -16.540  -3.596   3.669
  116   2HG   GLN  12          1HG       GLN  12 -18.207  -4.174   3.761
  117   1HE2  GLN  12          1HE2      GLN  12 -15.144  -4.590   2.326
  118   2HE2  GLN  12          2HE2      GLN  12 -15.564  -5.887   1.267
  119    H    ALA  13           H        ALA  13 -16.743  -2.253  -0.546
  120    HA   ALA  13           HA       ALA  13 -14.590  -4.175  -0.383
  121   1HB   ALA  13          1HB       ALA  13 -16.133  -4.960  -1.853
  122   2HB   ALA  13          2HB       ALA  13 -15.061  -4.131  -2.980
  123   3HB   ALA  13          3HB       ALA  13 -16.550  -3.352  -2.446
  124    H    MET  14           H        MET  14 -14.784  -0.822  -1.128
  125    HA   MET  14           HA       MET  14 -12.345  -0.872  -2.711
  126   1HB   MET  14          2HB       MET  14 -13.056   1.818  -2.123
  127   2HB   MET  14          1HB       MET  14 -13.102   0.979  -3.665
  128   1HG   MET  14          2HG       MET  14 -15.347   0.313  -3.329
  129   2HG   MET  14          1HG       MET  14 -15.299   0.838  -1.647
  130   1HE   MET  14          1HE       MET  14 -14.104   4.177  -1.916
  131   2HE   MET  14          2HE       MET  14 -14.894   3.004  -0.859
  132   3HE   MET  14          3HE       MET  14 -15.804   4.376  -1.484
  133    H    ILE  15           H        ILE  15 -12.843  -1.000   0.488
  134    HA   ILE  15           HA       ILE  15 -10.997   0.966   1.196
  135    HB   ILE  15           HB       ILE  15 -11.131  -0.263   3.573
  136   1HG1  ILE  15          2HG1      ILE  15 -13.871  -0.825   2.603
  137   2HG1  ILE  15          1HG1      ILE  15 -12.622  -1.944   2.071
  138   1HG2  ILE  15          1HG2      ILE  15 -13.599   1.193   2.856
  139   2HG2  ILE  15          2HG2      ILE  15 -12.083   2.040   2.544
  140   3HG2  ILE  15          3HG2      ILE  15 -12.456   1.470   4.169
  141   1HD1  ILE  15          1HD1      ILE  15 -12.039  -1.899   4.655
  142   2HD1  ILE  15          2HD1      ILE  15 -13.237  -2.990   3.960
  143   3HD1  ILE  15          3HD1      ILE  15 -13.755  -1.502   4.756
  144    HA   PRO  16           HA       PRO  16  -7.652  -2.486   1.324
  145   1HB   PRO  16          2HB       PRO  16  -7.257  -2.595  -1.505
  146   2HB   PRO  16          1HB       PRO  16  -7.830  -3.879  -0.441
  147   1HG   PRO  16          2HG       PRO  16  -9.339  -2.528  -2.391
  148   2HG   PRO  16          1HG       PRO  16  -9.971  -3.597  -1.129
  149   1HD   PRO  16          2HD       PRO  16  -9.967  -0.622  -1.228
  150   2HD   PRO  16          1HD       PRO  16 -11.039  -1.702  -0.364
  151    H    LYS  17           H        LYS  17  -5.360  -2.213   0.665
  152    HA   LYS  17           HA       LYS  17  -3.958  -0.596  -0.870
  153   1HB   LYS  17          2HB       LYS  17  -5.614   1.177   0.697
  154   2HB   LYS  17          1HB       LYS  17  -3.924   1.467   1.065
  155   1HG   LYS  17          2HG       LYS  17  -4.597   2.915  -0.715
  156   2HG   LYS  17          1HG       LYS  17  -3.466   1.716  -1.343
  157   1HD   LYS  17          2HD       LYS  17  -5.497   0.382  -2.064
  158   2HD   LYS  17          1HD       LYS  17  -6.451   1.820  -1.696
  159   1HE   LYS  17          2HE       LYS  17  -6.009   2.532  -3.753
  160   2HE   LYS  17          1HE       LYS  17  -4.340   2.761  -3.237
  161   1HZ   LYS  17          1HZ       LYS  17  -4.000   0.360  -3.875
  162   2HZ   LYS  17          2HZ       LYS  17  -4.252   1.438  -5.153
  163   3HZ   LYS  17          3HZ       LYS  17  -5.509   0.430  -4.640
  164    H    GLY  18           H        GLY  18  -1.783   0.042  -0.135
  165   1HA   GLY  18          2HA       GLY  18  -1.000  -0.607   2.554
  166   2HA   GLY  18          1HA       GLY  18  -0.587  -1.879   1.426
  167    H    GLY  19           H        GLY  19   1.086  -1.547  -0.074
  168   1HA   GLY  19          2HA       GLY  19   2.810  -0.167  -1.116
  169   2HA   GLY  19          1HA       GLY  19   2.675   0.938   0.241
  170    H    ARG  20           H        ARG  20   5.204   0.443  -0.199
  171    HA   ARG  20           HA       ARG  20   6.853  -0.107   1.505
  172   1HB   ARG  20          2HB       ARG  20   5.215  -1.707   2.632
  173   2HB   ARG  20          1HB       ARG  20   5.736  -2.910   1.459
  174   1HG   ARG  20          2HG       ARG  20   7.046  -3.332   3.331
  175   2HG   ARG  20          1HG       ARG  20   8.107  -2.390   2.281
  176   1HD   ARG  20          2HD       ARG  20   7.775  -0.424   3.549
  177   2HD   ARG  20          1HD       ARG  20   6.423  -1.133   4.431
  178    HE   ARG  20           HE       ARG  20   8.708  -2.672   4.926
  179   1HH1  ARG  20          1HH1      ARG  20   7.436   0.506   5.609
  180   2HH1  ARG  20          2HH1      ARG  20   8.343   0.693   7.071
  181   1HH2  ARG  20          1HH2      ARG  20   9.904  -2.425   6.856
  182   2HH2  ARG  20          2HH2      ARG  20   9.744  -0.967   7.779
  183    H    MET  21           H        MET  21   7.821   0.435  -0.551
  184    HA   MET  21           HA       MET  21   8.397  -1.602  -2.463
  185   1HB   MET  21          2HB       MET  21   9.943   0.089  -3.448
  186   2HB   MET  21          1HB       MET  21   8.285   0.636  -3.255
  187   1HG   MET  21          2HG       MET  21   9.378   1.465  -0.919
  188   2HG   MET  21          1HG       MET  21  10.754   1.603  -2.012
  189   1HE   MET  21          1HE       MET  21   9.427   3.049  -4.937
  190   2HE   MET  21          2HE       MET  21  10.879   2.685  -4.005
  191   3HE   MET  21          3HE       MET  21  10.319   4.350  -4.150
  192    H    LEU  22           H        LEU  22  10.392   0.044  -0.063
  193    HA   LEU  22           HA       LEU  22  11.973  -1.110   1.328
  194   1HB   LEU  22          2HB       LEU  22  11.504  -3.288   0.305
  195   2HB   LEU  22          1HB       LEU  22  12.494  -2.850  -1.074
  196    HG   LEU  22           HG       LEU  22  14.377  -2.542   0.713
  197   1HD1  LEU  22          1HD1      LEU  22  12.584  -2.989   2.541
  198   2HD1  LEU  22          2HD1      LEU  22  14.180  -3.719   2.702
  199   3HD1  LEU  22          3HD1      LEU  22  12.824  -4.685   2.119
  200   1HD2  LEU  22          1HD2      LEU  22  14.996  -4.903   0.421
  201   2HD2  LEU  22          2HD2      LEU  22  14.433  -4.173  -1.083
  202   3HD2  LEU  22          3HD2      LEU  22  13.370  -5.245  -0.173
  203    HA   PRO  23           HA       PRO  23  15.366   1.429  -0.147
  204   1HB   PRO  23          2HB       PRO  23  16.801   1.438   2.067
  205   2HB   PRO  23          1HB       PRO  23  15.202   2.187   2.012
  206   1HG   PRO  23          2HG       PRO  23  16.040  -0.406   3.206
  207   2HG   PRO  23          1HG       PRO  23  14.817   0.746   3.763
  208   1HD   PRO  23          2HD       PRO  23  14.352  -1.608   2.306
  209   2HD   PRO  23          1HD       PRO  23  13.182  -0.307   2.594
  210    H    GLN  24           H        GLN  24  17.067   1.271  -1.252
  211    HA   GLN  24           HA       GLN  24  18.595  -1.197  -1.291
  212   1HB   GLN  24          2HB       GLN  24  17.925   0.807  -3.241
  213   2HB   GLN  24          1HB       GLN  24  19.671   0.600  -3.170
  214   1HG   GLN  24          2HG       GLN  24  17.888  -1.789  -3.321
  215   2HG   GLN  24          1HG       GLN  24  18.262  -0.863  -4.774
  216   1HE2  GLN  24          1HE2      GLN  24  19.408  -3.092  -2.424
  217   2HE2  GLN  24          2HE2      GLN  24  20.959  -3.376  -3.130
  218    H    LEU  25           H        LEU  25  18.699   1.496   0.514
  219    HA   LEU  25           HA       LEU  25  21.084   2.730   0.588
  220   1HB   LEU  25          2HB       LEU  25  19.143   2.187   2.474
  221   2HB   LEU  25          1HB       LEU  25  20.550   1.426   3.161
  222    HG   LEU  25           HG       LEU  25  21.764   3.484   3.181
  223   1HD1  LEU  25          1HD1      LEU  25  20.143   5.560   2.598
  224   2HD1  LEU  25          2HD1      LEU  25  19.583   4.382   1.411
  225   3HD1  LEU  25          3HD1      LEU  25  21.282   4.855   1.450
  226   1HD2  LEU  25          1HD2      LEU  25  19.131   3.254   4.465
  227   2HD2  LEU  25          2HD2      LEU  25  19.821   4.877   4.455
  228   3HD2  LEU  25          3HD2      LEU  25  20.721   3.540   5.172
  229    H    VAL  26           H        VAL  26  20.404  -0.606   1.274
  230    HA   VAL  26           HA       VAL  26  22.816  -1.437   2.392
  231    HB   VAL  26           HB       VAL  26  21.221  -3.033   0.381
  232   1HG1  VAL  26          1HG1      VAL  26  23.398  -3.647   2.268
  233   2HG1  VAL  26          2HG1      VAL  26  22.957  -4.426   0.747
  234   3HG1  VAL  26          3HG1      VAL  26  22.068  -4.804   2.223
  235   1HG2  VAL  26          1HG2      VAL  26  19.508  -2.826   1.793
  236   2HG2  VAL  26          2HG2      VAL  26  20.516  -2.101   3.044
  237   3HG2  VAL  26          3HG2      VAL  26  20.428  -3.855   2.890
  238    H    CYS  27           H        CYS  27  22.009  -1.566  -1.084
  239    HA   CYS  27           HA       CYS  27  24.479  -2.381  -1.996
  240   1HB   CYS  27          2HB       CYS  27  22.361  -2.005  -3.346
  241   2HB   CYS  27          1HB       CYS  27  22.841  -0.314  -3.434
  242    HG   CYS  27           HG       CYS  27  25.108  -1.948  -4.438
  243    H    ARG  28           H        ARG  28  23.530   0.722  -0.750
  244    HA   ARG  28           HA       ARG  28  25.615   2.260  -1.883
  245   1HB   ARG  28          2HB       ARG  28  23.600   3.219  -0.791
  246   2HB   ARG  28          1HB       ARG  28  24.266   2.753   0.767
  247   1HG   ARG  28          2HG       ARG  28  26.174   4.267  -0.782
  248   2HG   ARG  28          1HG       ARG  28  24.662   5.151  -0.569
  249   1HD   ARG  28          2HD       ARG  28  25.645   5.778   1.368
  250   2HD   ARG  28          1HD       ARG  28  25.002   4.235   1.929
  251    HE   ARG  28           HE       ARG  28  27.144   3.416   2.053
  252   1HH1  ARG  28          1HH1      ARG  28  27.161   6.400   0.244
  253   2HH1  ARG  28          2HH1      ARG  28  28.887   6.541   0.253
  254   1HH2  ARG  28          1HH2      ARG  28  29.420   3.605   2.070
  255   2HH2  ARG  28          2HH2      ARG  28  30.167   4.956   1.283
  256    H    LEU  29           H        LEU  29  25.438   1.123   1.524
  257    HA   LEU  29           HA       LEU  29  28.312   1.537   1.738
  258   1HB   LEU  29          2HB       LEU  29  27.926   1.927   3.894
  259   2HB   LEU  29          1HB       LEU  29  26.230   1.898   3.477
  260    HG   LEU  29           HG       LEU  29  26.370   0.552   5.374
  261   1HD1  LEU  29          1HD1      LEU  29  26.671  -1.800   3.694
  262   2HD1  LEU  29          2HD1      LEU  29  25.580  -0.592   3.018
  263   3HD1  LEU  29          3HD1      LEU  29  25.286  -1.240   4.632
  264   1HD2  LEU  29          1HD2      LEU  29  29.049   0.180   4.598
  265   2HD2  LEU  29          2HD2      LEU  29  28.335  -1.427   4.715
  266   3HD2  LEU  29          3HD2      LEU  29  28.272  -0.334   6.096
  267    H    VAL  30           H        VAL  30  26.277  -1.022   1.013
  268    HA   VAL  30           HA       VAL  30  27.083  -3.268   2.161
  269    HB   VAL  30           HB       VAL  30  25.433  -3.076   0.339
  270   1HG1  VAL  30          1HG1      VAL  30  26.146  -3.104  -1.961
  271   2HG1  VAL  30          2HG1      VAL  30  27.835  -3.328  -1.505
  272   3HG1  VAL  30          3HG1      VAL  30  27.029  -1.800  -1.164
  273   1HG2  VAL  30          1HG2      VAL  30  27.486  -5.254   0.444
  274   2HG2  VAL  30          2HG2      VAL  30  26.274  -5.298  -0.834
  275   3HG2  VAL  30          3HG2      VAL  30  25.772  -5.298   0.857
  276    H    LEU  31           H        LEU  31  29.251  -1.459   0.056
  277    HA   LEU  31           HA       LEU  31  31.521  -2.807   0.976
  278   1HB   LEU  31          2HB       LEU  31  30.767  -4.760  -0.169
  279   2HB   LEU  31          1HB       LEU  31  30.452  -3.860  -1.639
  280    HG   LEU  31           HG       LEU  31  32.776  -3.638  -2.113
  281   1HD1  LEU  31          1HD1      LEU  31  33.834  -3.099  -0.131
  282   2HD1  LEU  31          2HD1      LEU  31  34.435  -4.725  -0.450
  283   3HD1  LEU  31          3HD1      LEU  31  33.152  -4.475   0.734
  284   1HD2  LEU  31          1HD2      LEU  31  31.587  -5.939  -2.333
  285   2HD2  LEU  31          2HD2      LEU  31  32.682  -6.426  -1.040
  286   3HD2  LEU  31          3HD2      LEU  31  33.331  -5.831  -2.570
  287    H    ARG  32           H        ARG  32  31.817  -0.458   0.976
  288    HA   ARG  32           HA       ARG  32  32.089   1.189  -1.198
  289   1HB   ARG  32          2HB       ARG  32  32.659   2.594   0.426
  290   2HB   ARG  32          1HB       ARG  32  32.851   1.247   1.529
  291   1HG   ARG  32          2HG       ARG  32  35.185   1.593  -0.169
  292   2HG   ARG  32          1HG       ARG  32  34.797   3.048   0.742
  293   1HD   ARG  32          2HD       ARG  32  34.490   1.154   2.651
  294   2HD   ARG  32          1HD       ARG  32  35.762   0.429   1.677
  295    HE   ARG  32           HE       ARG  32  36.087   2.514   3.504
  296   1HH1  ARG  32          1HH1      ARG  32  37.052   1.744   0.227
  297   2HH1  ARG  32          2HH1      ARG  32  38.508   2.671   0.314
  298   1HH2  ARG  32          1HH2      ARG  32  38.003   3.725   3.602
  299   2HH2  ARG  32          2HH2      ARG  32  39.051   3.790   2.225
  300    H    CYS  33           H        CYS  33  34.323  -1.242  -0.076
  301    HA   CYS  33           HA       CYS  33  35.508  -2.192  -2.200
  302   1HB   CYS  33          2HB       CYS  33  36.387   0.627  -1.967
  303   2HB   CYS  33          1HB       CYS  33  37.644  -0.552  -2.304
  304    HG   CYS  33           HG       CYS  33  36.901  -0.651  -4.627
  305    H    SER  34           H        SER  34  36.755  -0.167   0.348
  306    HA   SER  34           HA       SER  34  37.568  -2.213   2.062
  307   1HB   SER  34          2HB       SER  34  40.004  -2.172   1.788
  308   2HB   SER  34          1HB       SER  34  39.223  -2.719   0.304
  309    HG   SER  34           HG       SER  34  40.952  -0.837   0.454
  Start of MODEL   12
    1   1H    CYS   1          1HT       CYS   1 -38.628  -0.219   1.493
    2   2H    CYS   1          2HT       CYS   1 -37.671  -0.995   0.298
    3   3H    CYS   1          3HT       CYS   1 -39.346  -0.736   0.027
    4    HA   CYS   1           HA       CYS   1 -38.386   0.887  -1.197
    5   1HB   CYS   1          2HB       CYS   1 -39.436   1.639   1.455
    6   2HB   CYS   1          1HB       CYS   1 -38.552   2.917   0.627
    7    HG   CYS   1           HG       CYS   1 -41.245   1.722  -0.273
    8    H    TRP   2           H        TRP   2 -36.159  -0.477  -0.605
    9    HA   TRP   2           HA       TRP   2 -34.180   1.632  -0.266
   10   1HB   TRP   2          2HB       TRP   2 -32.850  -0.139   1.146
   11   2HB   TRP   2          1HB       TRP   2 -33.971   0.946   1.925
   12    HD1  TRP   2           HD       TRP   2 -36.230  -0.129   2.920
   13    HE1  TRP   2           1HE      TRP   2 -36.881  -2.566   3.438
   14    HE3  TRP   2           3HE      TRP   2 -32.530  -2.525   0.333
   15    HZ2  TRP   2           2HZ      TRP   2 -35.947  -5.165   2.822
   16    HZ3  TRP   2           3HZ      TRP   2 -32.474  -4.983   0.339
   17    HH2  TRP   2           HH       TRP   2 -34.153  -6.279   1.565
   18    H    LEU   3           H        LEU   3 -31.964   0.599  -0.528
   19    HA   LEU   3           HA       LEU   3 -31.506  -1.766  -1.755
   20   1HB   LEU   3          2HB       LEU   3 -33.010  -0.462  -3.529
   21   2HB   LEU   3          1HB       LEU   3 -31.455   0.200  -3.977
   22    HG   LEU   3           HG       LEU   3 -31.227  -2.632  -3.671
   23   1HD1  LEU   3          1HD1      LEU   3 -33.770  -2.064  -4.450
   24   2HD1  LEU   3          2HD1      LEU   3 -32.895  -3.531  -4.887
   25   3HD1  LEU   3          3HD1      LEU   3 -32.950  -2.169  -6.007
   26   1HD2  LEU   3          1HD2      LEU   3 -29.972  -0.768  -5.075
   27   2HD2  LEU   3          2HD2      LEU   3 -31.094  -1.318  -6.324
   28   3HD2  LEU   3          3HD2      LEU   3 -29.991  -2.464  -5.563
   29    H    CYS   4           H        CYS   4 -30.837   1.633  -1.803
   30    HA   CYS   4           HA       CYS   4 -28.294   1.871  -2.671
   31   1HB   CYS   4          2HB       CYS   4 -29.962   3.279  -0.742
   32   2HB   CYS   4          1HB       CYS   4 -28.246   3.436  -0.402
   33    HG   CYS   4           HG       CYS   4 -29.581   4.406  -3.037
   34    H    ARG   5           H        ARG   5 -29.304   0.177   0.169
   35    HA   ARG   5           HA       ARG   5 -27.051   0.175   1.765
   36   1HB   ARG   5          2HB       ARG   5 -29.296  -1.154   1.981
   37   2HB   ARG   5          1HB       ARG   5 -28.403  -2.435   1.175
   38   1HG   ARG   5          2HG       ARG   5 -27.516  -3.042   3.106
   39   2HG   ARG   5          1HG       ARG   5 -26.769  -1.450   3.270
   40   1HD   ARG   5          2HD       ARG   5 -29.414  -2.413   4.324
   41   2HD   ARG   5          1HD       ARG   5 -28.072  -1.688   5.210
   42    HE   ARG   5           HE       ARG   5 -28.769   0.326   3.625
   43   1HH1  ARG   5          1HH1      ARG   5 -30.778  -1.791   5.557
   44   2HH1  ARG   5          2HH1      ARG   5 -32.012  -0.601   5.791
   45   1HH2  ARG   5          1HH2      ARG   5 -30.392   1.876   3.930
   46   2HH2  ARG   5          2HH2      ARG   5 -31.794   1.484   4.867
   47    H    ALA   6           H        ALA   6 -27.483  -1.275  -1.360
   48    HA   ALA   6           HA       ALA   6 -25.275  -3.036  -1.322
   49   1HB   ALA   6          1HB       ALA   6 -26.255  -1.746  -3.836
   50   2HB   ALA   6          2HB       ALA   6 -27.289  -2.875  -2.959
   51   3HB   ALA   6          3HB       ALA   6 -25.718  -3.403  -3.565
   52    H    LEU   7           H        LEU   7 -25.578   0.402  -2.203
   53    HA   LEU   7           HA       LEU   7 -22.998   0.590  -3.324
   54   1HB   LEU   7          2HB       LEU   7 -23.620   3.087  -2.105
   55   2HB   LEU   7          1HB       LEU   7 -23.581   2.680  -3.805
   56    HG   LEU   7           HG       LEU   7 -25.967   2.429  -1.991
   57   1HD1  LEU   7          1HD1      LEU   7 -26.621   4.216  -3.928
   58   2HD1  LEU   7          2HD1      LEU   7 -24.920   4.588  -3.663
   59   3HD1  LEU   7          3HD1      LEU   7 -26.055   4.645  -2.314
   60   1HD2  LEU   7          1HD2      LEU   7 -26.767   2.403  -4.669
   61   2HD2  LEU   7          2HD2      LEU   7 -26.794   1.046  -3.543
   62   3HD2  LEU   7          3HD2      LEU   7 -25.395   1.298  -4.586
   63    H    ILE   8           H        ILE   8 -24.255   0.827  -0.076
   64    HA   ILE   8           HA       ILE   8 -21.938   1.815   1.088
   65    HB   ILE   8           HB       ILE   8 -22.688   1.181   3.180
   66   1HG1  ILE   8          2HG1      ILE   8 -24.831  -0.597   2.918
   67   2HG1  ILE   8          1HG1      ILE   8 -23.569  -1.244   1.883
   68   1HG2  ILE   8          1HG2      ILE   8 -24.288   2.589   1.654
   69   2HG2  ILE   8          2HG2      ILE   8 -24.776   2.111   3.281
   70   3HG2  ILE   8          3HG2      ILE   8 -25.362   1.210   1.884
   71   1HD1  ILE   8          1HD1      ILE   8 -22.144  -0.668   4.090
   72   2HD1  ILE   8          2HD1      ILE   8 -22.891  -2.233   3.760
   73   3HD1  ILE   8          3HD1      ILE   8 -23.713  -1.064   4.795
   74    H    LYS   9           H        LYS   9 -22.858  -1.453   0.174
   75    HA   LYS   9           HA       LYS   9 -20.574  -2.686   1.314
   76   1HB   LYS   9          2HB       LYS   9 -21.371  -4.661   0.488
   77   2HB   LYS   9          1HB       LYS   9 -22.843  -3.715   0.367
   78   1HG   LYS   9          2HG       LYS   9 -21.719  -3.228  -2.053
   79   2HG   LYS   9          1HG       LYS   9 -21.150  -4.866  -1.734
   80   1HD   LYS   9          2HD       LYS   9 -23.960  -4.525  -1.072
   81   2HD   LYS   9          1HD       LYS   9 -23.620  -4.155  -2.763
   82   1HE   LYS   9          2HE       LYS   9 -22.617  -6.312  -3.093
   83   2HE   LYS   9          1HE       LYS   9 -22.732  -6.677  -1.372
   84   1HZ   LYS   9          1HZ       LYS   9 -24.477  -7.683  -2.873
   85   2HZ   LYS   9          2HZ       LYS   9 -25.127  -6.128  -3.021
   86   3HZ   LYS   9          3HZ       LYS   9 -25.047  -6.875  -1.504
   87    H    ARG  10           H        ARG  10 -21.022  -0.665  -1.302
   88    HA   ARG  10           HA       ARG  10 -18.913  -1.587  -2.989
   89   1HB   ARG  10          2HB       ARG  10 -19.519   0.102  -4.399
   90   2HB   ARG  10          1HB       ARG  10 -20.931   0.210  -3.363
   91   1HG   ARG  10          2HG       ARG  10 -19.153   1.873  -2.091
   92   2HG   ARG  10          1HG       ARG  10 -18.752   2.115  -3.788
   93   1HD   ARG  10          2HD       ARG  10 -21.400   2.277  -3.985
   94   2HD   ARG  10          1HD       ARG  10 -21.236   2.758  -2.298
   95    HE   ARG  10           HE       ARG  10 -19.699   4.130  -4.394
   96   1HH1  ARG  10          1HH1      ARG  10 -22.116   4.265  -1.862
   97   2HH1  ARG  10          2HH1      ARG  10 -22.068   5.991  -1.745
   98   1HH2  ARG  10          1HH2      ARG  10 -19.648   6.398  -4.223
   99   2HH2  ARG  10          2HH2      ARG  10 -20.670   7.197  -3.076
  100    H    ILE  11           H        ILE  11 -19.212   0.688  -0.349
  101    HA   ILE  11           HA       ILE  11 -16.572   1.686  -0.419
  102    HB   ILE  11           HB       ILE  11 -18.702   2.267   1.115
  103   1HG1  ILE  11          2HG1      ILE  11 -15.863   2.654   2.077
  104   2HG1  ILE  11          1HG1      ILE  11 -16.620   3.597   0.795
  105   1HG2  ILE  11          1HG2      ILE  11 -16.975   0.889   3.135
  106   2HG2  ILE  11          2HG2      ILE  11 -18.289   0.031   2.333
  107   3HG2  ILE  11          3HG2      ILE  11 -18.634   1.469   3.291
  108   1HD1  ILE  11          1HD1      ILE  11 -17.271   5.010   2.371
  109   2HD1  ILE  11          2HD1      ILE  11 -16.805   3.894   3.654
  110   3HD1  ILE  11          3HD1      ILE  11 -18.401   3.768   2.912
  111    H    GLN  12           H        GLN  12 -18.118  -1.189   0.740
  112    HA   GLN  12           HA       GLN  12 -16.056  -2.278   2.307
  113   1HB   GLN  12          2HB       GLN  12 -17.695  -3.755   2.627
  114   2HB   GLN  12          1HB       GLN  12 -18.597  -3.061   1.298
  115   1HG   GLN  12          2HG       GLN  12 -18.458  -5.300   0.755
  116   2HG   GLN  12          1HG       GLN  12 -17.176  -4.572  -0.210
  117   1HE2  GLN  12          1HE2      GLN  12 -17.299  -5.464   3.236
  118   2HE2  GLN  12          2HE2      GLN  12 -15.963  -6.556   3.188
  119    H    ALA  13           H        ALA  13 -16.470  -2.097  -1.145
  120    HA   ALA  13           HA       ALA  13 -14.374  -4.032  -1.689
  121   1HB   ALA  13          1HB       ALA  13 -16.318  -2.520  -3.315
  122   2HB   ALA  13          2HB       ALA  13 -15.855  -4.221  -3.387
  123   3HB   ALA  13          3HB       ALA  13 -14.812  -2.991  -4.100
  124    H    MET  14           H        MET  14 -14.547  -0.581  -1.355
  125    HA   MET  14           HA       MET  14 -12.037  -0.163  -2.770
  126   1HB   MET  14          2HB       MET  14 -12.431   2.270  -2.089
  127   2HB   MET  14          1HB       MET  14 -13.570   1.549  -3.218
  128   1HG   MET  14          2HG       MET  14 -14.908   2.719  -1.729
  129   2HG   MET  14          1HG       MET  14 -15.011   1.050  -1.179
  130   1HE   MET  14          1HE       MET  14 -13.430   4.734   0.015
  131   2HE   MET  14          2HE       MET  14 -14.518   4.430   1.370
  132   3HE   MET  14          3HE       MET  14 -15.109   4.284  -0.285
  133    H    ILE  15           H        ILE  15 -12.784  -1.028   0.379
  134    HA   ILE  15           HA       ILE  15 -11.278   0.459   1.933
  135    HB   ILE  15           HB       ILE  15 -10.789  -2.113   2.928
  136   1HG1  ILE  15          2HG1      ILE  15 -13.710  -1.596   2.374
  137   2HG1  ILE  15          1HG1      ILE  15 -12.713  -2.556   1.288
  138   1HG2  ILE  15          1HG2      ILE  15 -12.950  -0.538   4.135
  139   2HG2  ILE  15          2HG2      ILE  15 -11.403   0.299   3.982
  140   3HG2  ILE  15          3HG2      ILE  15 -11.496  -1.231   4.856
  141   1HD1  ILE  15          1HD1      ILE  15 -12.728  -4.330   2.642
  142   2HD1  ILE  15          2HD1      ILE  15 -14.138  -3.547   3.357
  143   3HD1  ILE  15          3HD1      ILE  15 -12.549  -3.350   4.097
  144    HA   PRO  16           HA       PRO  16  -7.499  -2.612   1.080
  145   1HB   PRO  16          2HB       PRO  16  -8.016  -2.128  -1.818
  146   2HB   PRO  16          1HB       PRO  16  -7.458  -3.592  -1.005
  147   1HG   PRO  16          2HG       PRO  16 -10.019  -3.324  -1.778
  148   2HG   PRO  16          1HG       PRO  16  -9.591  -4.166  -0.277
  149   1HD   PRO  16          2HD       PRO  16 -10.784  -1.442  -0.607
  150   2HD   PRO  16          1HD       PRO  16 -10.952  -2.529   0.737
  151    H    LYS  17           H        LYS  17  -5.374  -2.212   0.403
  152    HA   LYS  17           HA       LYS  17  -3.989  -0.506  -1.020
  153   1HB   LYS  17          2HB       LYS  17  -5.617   1.147   0.743
  154   2HB   LYS  17          1HB       LYS  17  -3.910   1.474   0.951
  155   1HG   LYS  17          2HG       LYS  17  -5.081   2.911  -0.725
  156   2HG   LYS  17          1HG       LYS  17  -3.646   2.076  -1.318
  157   1HD   LYS  17          2HD       LYS  17  -5.711   0.306  -1.851
  158   2HD   LYS  17          1HD       LYS  17  -6.409   1.888  -2.198
  159   1HE   LYS  17          2HE       LYS  17  -5.337   1.905  -4.141
  160   2HE   LYS  17          1HE       LYS  17  -3.802   1.884  -3.275
  161   1HZ   LYS  17          1HZ       LYS  17  -3.533  -0.325  -3.613
  162   2HZ   LYS  17          2HZ       LYS  17  -4.480   0.002  -4.977
  163   3HZ   LYS  17          3HZ       LYS  17  -5.188  -0.664  -3.592
  164    H    GLY  18           H        GLY  18  -1.805   0.128  -0.159
  165   1HA   GLY  18          2HA       GLY  18  -1.076  -0.721   2.481
  166   2HA   GLY  18          1HA       GLY  18  -0.644  -1.921   1.278
  167    H    GLY  19           H        GLY  19   1.010  -1.426  -0.255
  168   1HA   GLY  19          2HA       GLY  19   2.790  -0.083  -1.147
  169   2HA   GLY  19          1HA       GLY  19   2.541   1.059   0.165
  170    H    ARG  20           H        ARG  20   5.091   0.599  -0.234
  171    HA   ARG  20           HA       ARG  20   6.771   0.235   1.432
  172   1HB   ARG  20          2HB       ARG  20   5.122  -1.070   2.850
  173   2HB   ARG  20          1HB       ARG  20   5.558  -2.487   1.902
  174   1HG   ARG  20          2HG       ARG  20   6.827  -2.516   3.914
  175   2HG   ARG  20          1HG       ARG  20   7.926  -2.125   2.588
  176   1HD   ARG  20          2HD       ARG  20   8.364  -0.707   4.516
  177   2HD   ARG  20          1HD       ARG  20   7.767   0.250   3.162
  178    HE   ARG  20           HE       ARG  20   5.707  -0.586   4.984
  179   1HH1  ARG  20          1HH1      ARG  20   8.118   1.848   4.323
  180   2HH1  ARG  20          2HH1      ARG  20   7.305   3.078   5.232
  181   1HH2  ARG  20          1HH2      ARG  20   4.644   1.021   6.181
  182   2HH2  ARG  20          2HH2      ARG  20   5.330   2.607   6.289
  183    H    MET  21           H        MET  21   7.853   0.369  -0.590
  184    HA   MET  21           HA       MET  21   8.350  -2.040  -2.094
  185   1HB   MET  21          2HB       MET  21   9.865  -0.550  -3.441
  186   2HB   MET  21          1HB       MET  21   8.173  -0.077  -3.393
  187   1HG   MET  21          2HG       MET  21   8.601   1.707  -1.925
  188   2HG   MET  21          1HG       MET  21  10.217   1.111  -1.544
  189   1HE   MET  21          1HE       MET  21  10.964   0.470  -5.020
  190   2HE   MET  21          2HE       MET  21  11.850   0.567  -3.497
  191   3HE   MET  21          3HE       MET  21  12.185   1.724  -4.786
  192    H    LEU  22           H        LEU  22  10.139  -0.063   0.172
  193    HA   LEU  22           HA       LEU  22  11.833  -0.797   1.613
  194   1HB   LEU  22          2HB       LEU  22  11.321  -3.150   1.053
  195   2HB   LEU  22          1HB       LEU  22  12.360  -3.016  -0.353
  196    HG   LEU  22           HG       LEU  22  14.203  -2.356   1.344
  197   1HD1  LEU  22          1HD1      LEU  22  12.382  -2.257   3.181
  198   2HD1  LEU  22          2HD1      LEU  22  13.949  -2.970   3.561
  199   3HD1  LEU  22          3HD1      LEU  22  12.565  -4.011   3.225
  200   1HD2  LEU  22          1HD2      LEU  22  14.783  -4.704   1.665
  201   2HD2  LEU  22          2HD2      LEU  22  14.206  -4.412   0.026
  202   3HD2  LEU  22          3HD2      LEU  22  13.149  -5.182   1.208
  203    HA   PRO  23           HA       PRO  23  15.170   1.362  -0.458
  204   1HB   PRO  23          2HB       PRO  23  16.706   1.802   1.646
  205   2HB   PRO  23          1HB       PRO  23  15.111   2.554   1.518
  206   1HG   PRO  23          2HG       PRO  23  15.966   0.180   3.116
  207   2HG   PRO  23          1HG       PRO  23  14.869   1.496   3.565
  208   1HD   PRO  23          2HD       PRO  23  14.077  -1.001   2.666
  209   2HD   PRO  23          1HD       PRO  23  13.067   0.454   2.634
  210    H    GLN  24           H        GLN  24  16.780   0.778  -1.642
  211    HA   GLN  24           HA       GLN  24  18.276  -1.645  -1.020
  212   1HB   GLN  24          2HB       GLN  24  17.602  -0.210  -3.452
  213   2HB   GLN  24          1HB       GLN  24  19.331  -0.518  -3.360
  214   1HG   GLN  24          2HG       GLN  24  17.079  -2.493  -3.390
  215   2HG   GLN  24          1HG       GLN  24  18.427  -2.343  -4.512
  216   1HE2  GLN  24          1HE2      GLN  24  20.465  -2.064  -2.528
  217   2HE2  GLN  24          2HE2      GLN  24  20.643  -3.596  -1.750
  218    H    LEU  25           H        LEU  25  18.450   1.501  -0.124
  219    HA   LEU  25           HA       LEU  25  20.913   2.546  -0.570
  220   1HB   LEU  25          2HB       LEU  25  18.997   2.966   1.352
  221   2HB   LEU  25          1HB       LEU  25  20.340   2.402   2.303
  222    HG   LEU  25           HG       LEU  25  21.755   4.172   1.525
  223   1HD1  LEU  25          1HD1      LEU  25  20.469   5.996   0.112
  224   2HD1  LEU  25          2HD1      LEU  25  19.565   4.585  -0.438
  225   3HD1  LEU  25          3HD1      LEU  25  21.313   4.652  -0.658
  226   1HD2  LEU  25          1HD2      LEU  25  19.950   4.534   3.336
  227   2HD2  LEU  25          2HD2      LEU  25  19.170   5.552   2.125
  228   3HD2  LEU  25          3HD2      LEU  25  20.798   5.935   2.682
  229    H    VAL  26           H        VAL  26  20.065  -0.255   1.302
  230    HA   VAL  26           HA       VAL  26  22.389  -0.680   2.725
  231    HB   VAL  26           HB       VAL  26  21.915  -3.247   2.010
  232   1HG1  VAL  26          1HG1      VAL  26  20.059  -1.866   3.911
  233   2HG1  VAL  26          2HG1      VAL  26  21.784  -2.022   4.247
  234   3HG1  VAL  26          3HG1      VAL  26  20.793  -3.466   4.037
  235   1HG2  VAL  26          1HG2      VAL  26  20.052  -2.138   0.465
  236   2HG2  VAL  26          2HG2      VAL  26  19.124  -2.241   1.961
  237   3HG2  VAL  26          3HG2      VAL  26  19.817  -3.700   1.252
  238    H    CYS  27           H        CYS  27  21.766  -2.277  -0.404
  239    HA   CYS  27           HA       CYS  27  24.287  -3.198  -0.927
  240   1HB   CYS  27          2HB       CYS  27  22.362  -3.685  -2.365
  241   2HB   CYS  27          1HB       CYS  27  22.373  -2.022  -2.949
  242    HG   CYS  27           HG       CYS  27  25.009  -3.331  -3.544
  243    H    ARG  28           H        ARG  28  23.139   0.100  -1.137
  244    HA   ARG  28           HA       ARG  28  25.143   1.177  -2.760
  245   1HB   ARG  28          2HB       ARG  28  23.032   2.307  -1.886
  246   2HB   ARG  28          1HB       ARG  28  23.941   2.648  -0.421
  247   1HG   ARG  28          2HG       ARG  28  25.392   3.414  -2.805
  248   2HG   ARG  28          1HG       ARG  28  23.824   4.216  -2.686
  249   1HD   ARG  28          2HD       ARG  28  25.146   5.669  -1.499
  250   2HD   ARG  28          1HD       ARG  28  24.569   4.618  -0.207
  251    HE   ARG  28           HE       ARG  28  26.698   3.794   0.050
  252   1HH1  ARG  28          1HH1      ARG  28  26.552   5.724  -2.856
  253   2HH1  ARG  28          2HH1      ARG  28  28.265   5.700  -3.104
  254   1HH2  ARG  28          1HH2      ARG  28  28.938   3.751  -0.280
  255   2HH2  ARG  28          2HH2      ARG  28  29.623   4.577  -1.640
  256    H    LEU  29           H        LEU  29  25.107   1.760   0.764
  257    HA   LEU  29           HA       LEU  29  28.016   1.916   0.716
  258   1HB   LEU  29          2HB       LEU  29  27.880   3.319   2.463
  259   2HB   LEU  29          1HB       LEU  29  26.234   3.502   1.898
  260    HG   LEU  29           HG       LEU  29  25.844   1.483   3.617
  261   1HD1  LEU  29          1HD1      LEU  29  27.685   1.066   4.806
  262   2HD1  LEU  29          2HD1      LEU  29  27.353   2.589   5.627
  263   3HD1  LEU  29          3HD1      LEU  29  28.477   2.546   4.268
  264   1HD2  LEU  29          1HD2      LEU  29  24.600   3.523   3.682
  265   2HD2  LEU  29          2HD2      LEU  29  26.004   4.423   4.259
  266   3HD2  LEU  29          3HD2      LEU  29  25.239   3.218   5.297
  267    H    VAL  30           H        VAL  30  25.944  -0.580   1.175
  268    HA   VAL  30           HA       VAL  30  26.471  -1.876   3.471
  269    HB   VAL  30           HB       VAL  30  25.016  -2.790   1.780
  270   1HG1  VAL  30          1HG1      VAL  30  26.394  -2.238  -0.165
  271   2HG1  VAL  30          2HG1      VAL  30  25.905  -3.933  -0.181
  272   3HG1  VAL  30          3HG1      VAL  30  27.547  -3.489   0.290
  273   1HG2  VAL  30          1HG2      VAL  30  27.220  -4.752   2.427
  274   2HG2  VAL  30          2HG2      VAL  30  25.554  -5.140   2.003
  275   3HG2  VAL  30          3HG2      VAL  30  25.908  -4.304   3.515
  276    H    LEU  31           H        LEU  31  28.902  -1.304   1.028
  277    HA   LEU  31           HA       LEU  31  30.781  -2.746   2.751
  278   1HB   LEU  31          2HB       LEU  31  30.266  -4.119   0.752
  279   2HB   LEU  31          1HB       LEU  31  30.821  -2.818  -0.272
  280    HG   LEU  31           HG       LEU  31  32.324  -4.956   0.701
  281   1HD1  LEU  31          1HD1      LEU  31  34.195  -3.190  -0.201
  282   2HD1  LEU  31          2HD1      LEU  31  32.717  -2.582  -0.950
  283   3HD1  LEU  31          3HD1      LEU  31  33.217  -4.253  -1.210
  284   1HD2  LEU  31          1HD2      LEU  31  32.521  -3.727   2.858
  285   2HD2  LEU  31          2HD2      LEU  31  33.333  -2.425   1.986
  286   3HD2  LEU  31          3HD2      LEU  31  34.064  -4.026   2.056
  287    H    ARG  32           H        ARG  32  31.557  -1.194  -0.291
  288    HA   ARG  32           HA       ARG  32  32.055   1.343   0.004
  289   1HB   ARG  32          2HB       ARG  32  32.998   1.458   2.122
  290   2HB   ARG  32          1HB       ARG  32  33.832  -0.079   1.949
  291   1HG   ARG  32          2HG       ARG  32  35.328   1.912   2.043
  292   2HG   ARG  32          1HG       ARG  32  35.536   0.909   0.605
  293   1HD   ARG  32          2HD       ARG  32  33.659   2.652  -0.262
  294   2HD   ARG  32          1HD       ARG  32  34.558   3.670   0.865
  295    HE   ARG  32           HE       ARG  32  35.407   2.858  -1.701
  296   1HH1  ARG  32          1HH1      ARG  32  36.637   3.327   1.530
  297   2HH1  ARG  32          2HH1      ARG  32  38.248   3.679   0.999
  298   1HH2  ARG  32          1HH2      ARG  32  37.519   3.315  -2.403
  299   2HH2  ARG  32          2HH2      ARG  32  38.752   3.670  -1.238
  300    H    CYS  33           H        CYS  33  34.396  -1.323  -0.096
  301    HA   CYS  33           HA       CYS  33  34.828  -1.691  -2.737
  302   1HB   CYS  33          2HB       CYS  33  35.919   0.900  -1.894
  303   2HB   CYS  33          1HB       CYS  33  37.090  -0.129  -2.695
  304    HG   CYS  33           HG       CYS  33  36.041   0.360  -4.851
  305    H    SER  34           H        SER  34  36.621  -0.715   0.070
  306    HA   SER  34           HA       SER  34  37.668  -3.283   0.565
  307   1HB   SER  34          2HB       SER  34  39.948  -3.055   0.008
  308   2HB   SER  34          1HB       SER  34  39.080  -2.439  -1.403
  309    HG   SER  34           HG       SER  34  40.919  -1.181  -0.182
  Start of MODEL   13
    1   1H    CYS   1          1HT       CYS   1 -36.370  -2.337   2.789
    2   2H    CYS   1          2HT       CYS   1 -37.843  -1.549   3.179
    3   3H    CYS   1          3HT       CYS   1 -36.491  -0.636   2.640
    4    HA   CYS   1           HA       CYS   1 -37.559  -2.748   0.946
    5   1HB   CYS   1          2HB       CYS   1 -39.111  -0.599   1.959
    6   2HB   CYS   1          1HB       CYS   1 -38.721  -0.199   0.291
    7    HG   CYS   1           HG       CYS   1 -40.851  -1.552   0.122
    8    H    TRP   2           H        TRP   2 -34.964  -1.448   1.504
    9    HA   TRP   2           HA       TRP   2 -34.563   0.028  -0.992
   10   1HB   TRP   2          2HB       TRP   2 -33.792   0.727   1.525
   11   2HB   TRP   2          1HB       TRP   2 -32.319   0.029   0.854
   12    HD1  TRP   2           HD       TRP   2 -33.108   3.259   1.406
   13    HE1  TRP   2           1HE      TRP   2 -32.584   4.887  -0.520
   14    HE3  TRP   2           3HE      TRP   2 -32.877  -0.073  -2.471
   15    HZ2  TRP   2           2HZ      TRP   2 -32.106   4.761  -3.304
   16    HZ3  TRP   2           3HZ      TRP   2 -32.340   0.716  -4.687
   17    HH2  TRP   2           HH       TRP   2 -31.988   3.112  -5.129
   18    H    LEU   3           H        LEU   3 -31.773  -0.280  -1.028
   19    HA   LEU   3           HA       LEU   3 -30.958  -2.942  -1.284
   20   1HB   LEU   3          2HB       LEU   3 -32.732  -2.472  -3.181
   21   2HB   LEU   3          1HB       LEU   3 -31.347  -1.736  -3.961
   22    HG   LEU   3           HG       LEU   3 -30.508  -4.242  -2.973
   23   1HD1  LEU   3          1HD1      LEU   3 -33.107  -4.566  -3.120
   24   2HD1  LEU   3          2HD1      LEU   3 -32.018  -5.811  -3.726
   25   3HD1  LEU   3          3HD1      LEU   3 -32.789  -4.691  -4.848
   26   1HD2  LEU   3          1HD2      LEU   3 -29.947  -2.741  -5.071
   27   2HD2  LEU   3          2HD2      LEU   3 -31.111  -3.812  -5.853
   28   3HD2  LEU   3          3HD2      LEU   3 -29.670  -4.483  -5.084
   29    H    CYS   4           H        CYS   4 -30.804   0.307  -2.505
   30    HA   CYS   4           HA       CYS   4 -28.289   0.532  -3.526
   31   1HB   CYS   4          2HB       CYS   4 -30.270   2.323  -2.451
   32   2HB   CYS   4          1HB       CYS   4 -28.665   2.838  -1.951
   33    HG   CYS   4           HG       CYS   4 -29.809   3.327  -4.622
   34    H    ARG   5           H        ARG   5 -29.261  -0.095  -0.272
   35    HA   ARG   5           HA       ARG   5 -26.952   0.794   1.095
   36   1HB   ARG   5          2HB       ARG   5 -29.213  -0.495   1.876
   37   2HB   ARG   5          1HB       ARG   5 -28.048  -1.812   1.979
   38   1HG   ARG   5          2HG       ARG   5 -26.998  -0.921   3.757
   39   2HG   ARG   5          1HG       ARG   5 -27.192   0.735   3.176
   40   1HD   ARG   5          2HD       ARG   5 -29.295  -0.968   4.509
   41   2HD   ARG   5          1HD       ARG   5 -28.468   0.424   5.207
   42    HE   ARG   5           HE       ARG   5 -29.625   1.437   2.982
   43   1HH1  ARG   5          1HH1      ARG   5 -30.837  -0.423   5.671
   44   2HH1  ARG   5          2HH1      ARG   5 -32.427   0.259   5.586
   45   1HH2  ARG   5          1HH2      ARG   5 -31.720   2.331   2.867
   46   2HH2  ARG   5          2HH2      ARG   5 -32.929   1.819   3.998
   47    H    ALA   6           H        ALA   6 -27.268  -1.470  -1.341
   48    HA   ALA   6           HA       ALA   6 -25.170  -3.267  -0.653
   49   1HB   ALA   6          1HB       ALA   6 -25.458  -3.590  -3.306
   50   2HB   ALA   6          2HB       ALA   6 -26.993  -2.795  -2.933
   51   3HB   ALA   6          3HB       ALA   6 -26.555  -4.299  -2.119
   52    H    LEU   7           H        LEU   7 -25.445  -0.448  -2.810
   53    HA   LEU   7           HA       LEU   7 -22.808  -0.624  -3.806
   54   1HB   LEU   7          2HB       LEU   7 -23.555   2.084  -3.953
   55   2HB   LEU   7          1HB       LEU   7 -23.561   0.892  -5.234
   56    HG   LEU   7           HG       LEU   7 -25.902   1.346  -3.396
   57   1HD1  LEU   7          1HD1      LEU   7 -26.720   2.379  -5.724
   58   2HD1  LEU   7          2HD1      LEU   7 -25.009   2.800  -5.801
   59   3HD1  LEU   7          3HD1      LEU   7 -25.992   3.345  -4.440
   60   1HD2  LEU   7          1HD2      LEU   7 -26.670  -0.507  -4.361
   61   2HD2  LEU   7          2HD2      LEU   7 -25.277  -0.585  -5.437
   62   3HD2  LEU   7          3HD2      LEU   7 -26.694   0.360  -5.895
   63    H    ILE   8           H        ILE   8 -24.196   0.836  -0.971
   64    HA   ILE   8           HA       ILE   8 -21.952   2.466  -0.471
   65    HB   ILE   8           HB       ILE   8 -22.743   2.510   1.936
   66   1HG1  ILE   8          2HG1      ILE   8 -25.341   1.663   1.730
   67   2HG1  ILE   8          1HG1      ILE   8 -24.476   0.437   0.819
   68   1HG2  ILE   8          1HG2      ILE   8 -25.062   3.226   0.236
   69   2HG2  ILE   8          2HG2      ILE   8 -23.506   3.963  -0.143
   70   3HG2  ILE   8          3HG2      ILE   8 -24.213   4.171   1.458
   71   1HD1  ILE   8          1HD1      ILE   8 -22.930   0.610   3.029
   72   2HD1  ILE   8          2HD1      ILE   8 -24.243  -0.542   2.808
   73   3HD1  ILE   8          3HD1      ILE   8 -24.526   0.954   3.695
   74    H    LYS   9           H        LYS   9 -22.885  -0.758   0.717
   75    HA   LYS   9           HA       LYS   9 -20.548  -1.126   2.273
   76   1HB   LYS   9          2HB       LYS   9 -21.103  -3.639   1.934
   77   2HB   LYS   9          1HB       LYS   9 -22.222  -2.634   2.842
   78   1HG   LYS   9          2HG       LYS   9 -23.350  -2.367   0.470
   79   2HG   LYS   9          1HG       LYS   9 -22.540  -3.905   0.179
   80   1HD   LYS   9          2HD       LYS   9 -23.610  -4.364   2.617
   81   2HD   LYS   9          1HD       LYS   9 -24.804  -3.252   1.949
   82   1HE   LYS   9          2HE       LYS   9 -24.318  -5.001  -0.127
   83   2HE   LYS   9          1HE       LYS   9 -24.274  -6.036   1.300
   84   1HZ   LYS   9          1HZ       LYS   9 -26.489  -4.272   0.415
   85   2HZ   LYS   9          2HZ       LYS   9 -26.448  -5.012   1.935
   86   3HZ   LYS   9          3HZ       LYS   9 -26.500  -5.958   0.534
   87    H    ARG  10           H        ARG  10 -21.047  -1.068  -1.061
   88    HA   ARG  10           HA       ARG  10 -19.042  -2.843  -1.928
   89   1HB   ARG  10          2HB       ARG  10 -20.733  -0.763  -3.098
   90   2HB   ARG  10          1HB       ARG  10 -19.139  -0.812  -3.831
   91   1HG   ARG  10          2HG       ARG  10 -20.615  -2.156  -5.103
   92   2HG   ARG  10          1HG       ARG  10 -19.493  -3.224  -4.260
   93   1HD   ARG  10          2HD       ARG  10 -21.350  -3.327  -2.458
   94   2HD   ARG  10          1HD       ARG  10 -22.396  -2.735  -3.749
   95    HE   ARG  10           HE       ARG  10 -21.101  -4.871  -4.855
   96   1HH1  ARG  10          1HH1      ARG  10 -23.065  -4.399  -2.002
   97   2HH1  ARG  10          2HH1      ARG  10 -23.691  -6.015  -2.011
   98   1HH2  ARG  10          1HH2      ARG  10 -21.939  -6.993  -4.880
   99   2HH2  ARG  10          2HH2      ARG  10 -23.055  -7.489  -3.649
  100    H    ILE  11           H        ILE  11 -19.090   0.683  -1.560
  101    HA   ILE  11           HA       ILE  11 -16.406   1.222  -2.025
  102    HB   ILE  11           HB       ILE  11 -18.223   2.543   0.006
  103   1HG1  ILE  11          2HG1      ILE  11 -17.998   4.103  -2.347
  104   2HG1  ILE  11          1HG1      ILE  11 -18.329   2.455  -2.871
  105   1HG2  ILE  11          1HG2      ILE  11 -16.631   4.026   0.418
  106   2HG2  ILE  11          2HG2      ILE  11 -16.344   4.297  -1.299
  107   3HG2  ILE  11          3HG2      ILE  11 -15.513   2.987  -0.460
  108   1HD1  ILE  11          1HD1      ILE  11 -20.467   2.983  -2.546
  109   2HD1  ILE  11          2HD1      ILE  11 -20.062   4.391  -1.565
  110   3HD1  ILE  11          3HD1      ILE  11 -20.113   2.790  -0.831
  111    H    GLN  12           H        GLN  12 -18.102  -0.067   0.715
  112    HA   GLN  12           HA       GLN  12 -16.163   0.082   2.727
  113   1HB   GLN  12          2HB       GLN  12 -17.842  -0.878   3.852
  114   2HB   GLN  12          1HB       GLN  12 -18.697  -1.076   2.331
  115   1HG   GLN  12          2HG       GLN  12 -18.684  -3.189   3.330
  116   2HG   GLN  12          1HG       GLN  12 -17.475  -3.261   2.049
  117   1HE2  GLN  12          1HE2      GLN  12 -17.758  -2.521   5.505
  118   2HE2  GLN  12          2HE2      GLN  12 -16.277  -3.283   5.966
  119    H    ALA  13           H        ALA  13 -16.496  -2.130   0.029
  120    HA   ALA  13           HA       ALA  13 -14.444  -3.885   1.075
  121   1HB   ALA  13          1HB       ALA  13 -15.588  -5.356  -0.090
  122   2HB   ALA  13          2HB       ALA  13 -15.007  -4.604  -1.577
  123   3HB   ALA  13          3HB       ALA  13 -16.532  -4.080  -0.857
  124    H    MET  14           H        MET  14 -14.569  -1.241  -1.169
  125    HA   MET  14           HA       MET  14 -11.995  -1.956  -2.334
  126   1HB   MET  14          2HB       MET  14 -12.296   0.162  -3.674
  127   2HB   MET  14          1HB       MET  14 -13.471  -1.113  -3.952
  128   1HG   MET  14          2HG       MET  14 -14.625   0.951  -3.917
  129   2HG   MET  14          1HG       MET  14 -15.036   0.088  -2.438
  130   1HE   MET  14          1HE       MET  14 -15.650   3.089  -2.904
  131   2HE   MET  14          2HE       MET  14 -14.198   3.486  -3.822
  132   3HE   MET  14          3HE       MET  14 -14.495   4.262  -2.264
  133    H    ILE  15           H        ILE  15 -12.784  -0.511   0.496
  134    HA   ILE  15           HA       ILE  15 -11.369   1.704   0.629
  135    HB   ILE  15           HB       ILE  15 -10.840   0.479   3.102
  136   1HG1  ILE  15          2HG1      ILE  15 -13.772   0.541   2.481
  137   2HG1  ILE  15          1HG1      ILE  15 -12.828  -0.899   2.120
  138   1HG2  ILE  15          1HG2      ILE  15 -11.528   2.436   3.924
  139   2HG2  ILE  15          2HG2      ILE  15 -13.015   2.434   2.976
  140   3HG2  ILE  15          3HG2      ILE  15 -11.499   2.975   2.247
  141   1HD1  ILE  15          1HD1      ILE  15 -12.617   0.269   4.837
  142   2HD1  ILE  15          2HD1      ILE  15 -12.512  -1.411   4.313
  143   3HD1  ILE  15          3HD1      ILE  15 -14.081  -0.613   4.404
  144    HA   PRO  16           HA       PRO  16  -7.488  -1.028   1.998
  145   1HB   PRO  16          2HB       PRO  16  -8.037  -2.707  -0.401
  146   2HB   PRO  16          1HB       PRO  16  -7.447  -3.178   1.196
  147   1HG   PRO  16          2HG       PRO  16 -10.012  -3.568   0.496
  148   2HG   PRO  16          1HG       PRO  16  -9.564  -3.112   2.149
  149   1HD   PRO  16          2HD       PRO  16 -10.807  -1.416   0.023
  150   2HD   PRO  16          1HD       PRO  16 -10.976  -1.280   1.752
  151    H    LYS  17           H        LYS  17  -5.373  -1.170   1.118
  152    HA   LYS  17           HA       LYS  17  -4.078  -0.946  -1.129
  153   1HB   LYS  17          2HB       LYS  17  -5.693   1.526  -0.927
  154   2HB   LYS  17          1HB       LYS  17  -4.007   1.776  -1.350
  155   1HG   LYS  17          2HG       LYS  17  -4.986  -0.361  -2.936
  156   2HG   LYS  17          1HG       LYS  17  -6.155   0.958  -3.020
  157   1HD   LYS  17          2HD       LYS  17  -4.816   1.841  -4.584
  158   2HD   LYS  17          1HD       LYS  17  -3.724   2.246  -3.256
  159   1HE   LYS  17          2HE       LYS  17  -2.385   1.095  -4.800
  160   2HE   LYS  17          1HE       LYS  17  -2.756  -0.087  -3.547
  161   1HZ   LYS  17          1HZ       LYS  17  -3.221  -1.323  -5.362
  162   2HZ   LYS  17          2HZ       LYS  17  -3.623   0.001  -6.331
  163   3HZ   LYS  17          3HZ       LYS  17  -4.738  -0.591  -5.204
  164    H    GLY  18           H        GLY  18  -1.876   0.035  -1.023
  165   1HA   GLY  18          2HA       GLY  18  -1.081   1.591   1.212
  166   2HA   GLY  18          1HA       GLY  18  -0.790  -0.101   1.550
  167    H    GLY  19           H        GLY  19   0.817  -1.232   0.353
  168   1HA   GLY  19          2HA       GLY  19   2.941  -1.449  -0.552
  169   2HA   GLY  19          1HA       GLY  19   2.426  -0.256  -1.733
  170    H    ARG  20           H        ARG  20   5.094  -0.539  -0.794
  171    HA   ARG  20           HA       ARG  20   6.472   1.509  -0.664
  172   1HB   ARG  20          2HB       ARG  20   4.711   2.850   0.427
  173   2HB   ARG  20          1HB       ARG  20   4.939   1.931   1.909
  174   1HG   ARG  20          2HG       ARG  20   7.454   2.984   1.035
  175   2HG   ARG  20          1HG       ARG  20   6.251   4.271   1.086
  176   1HD   ARG  20          2HD       ARG  20   6.671   4.398   3.271
  177   2HD   ARG  20          1HD       ARG  20   5.793   2.878   3.423
  178    HE   ARG  20           HE       ARG  20   8.438   2.278   2.769
  179   1HH1  ARG  20          1HH1      ARG  20   6.641   3.668   5.420
  180   2HH1  ARG  20          2HH1      ARG  20   7.788   3.169   6.618
  181   1HH2  ARG  20          1HH2      ARG  20   9.940   1.622   4.353
  182   2HH2  ARG  20          2HH2      ARG  20   9.652   2.013   6.015
  183    H    MET  21           H        MET  21   7.891  -0.284  -0.618
  184    HA   MET  21           HA       MET  21   8.625  -1.316   2.014
  185   1HB   MET  21          2HB       MET  21  10.266  -2.704   0.541
  186   2HB   MET  21          1HB       MET  21   8.563  -3.133   0.600
  187   1HG   MET  21          2HG       MET  21   9.393  -1.242  -1.518
  188   2HG   MET  21          1HG       MET  21   9.947  -2.907  -1.665
  189   1HE   MET  21          1HE       MET  21   6.607  -1.948  -3.914
  190   2HE   MET  21          2HE       MET  21   8.369  -1.956  -3.997
  191   3HE   MET  21          3HE       MET  21   7.536  -0.689  -3.098
  192    H    LEU  22           H        LEU  22  10.171   0.211  -0.758
  193    HA   LEU  22           HA       LEU  22  12.030   1.521  -0.982
  194   1HB   LEU  22          2HB       LEU  22  10.866   2.995   0.488
  195   2HB   LEU  22          1HB       LEU  22  11.370   2.084   1.899
  196    HG   LEU  22           HG       LEU  22  13.593   3.141   0.284
  197   1HD1  LEU  22          1HD1      LEU  22  12.026   4.989   0.026
  198   2HD1  LEU  22          2HD1      LEU  22  13.346   5.431   1.112
  199   3HD1  LEU  22          3HD1      LEU  22  11.761   5.020   1.770
  200   1HD2  LEU  22          1HD2      LEU  22  14.576   2.663   2.215
  201   2HD2  LEU  22          2HD2      LEU  22  13.017   2.345   2.975
  202   3HD2  LEU  22          3HD2      LEU  22  13.678   3.980   2.969
  203    HA   PRO  23           HA       PRO  23  15.262  -1.263   0.745
  204   1HB   PRO  23          2HB       PRO  23  15.866  -2.540  -1.503
  205   2HB   PRO  23          1HB       PRO  23  14.355  -2.890  -0.657
  206   1HG   PRO  23          2HG       PRO  23  14.795  -1.420  -3.185
  207   2HG   PRO  23          1HG       PRO  23  13.356  -2.280  -2.622
  208   1HD   PRO  23          2HD       PRO  23  13.946   0.557  -2.468
  209   2HD   PRO  23          1HD       PRO  23  12.443  -0.283  -2.015
  210    H    GLN  24           H        GLN  24  16.423   0.967   0.892
  211    HA   GLN  24           HA       GLN  24  18.218   1.529  -1.347
  212   1HB   GLN  24          2HB       GLN  24  18.695   3.586  -0.306
  213   2HB   GLN  24          1HB       GLN  24  16.975   3.322  -0.083
  214   1HG   GLN  24          2HG       GLN  24  17.517   4.005   2.005
  215   2HG   GLN  24          1HG       GLN  24  17.768   2.270   2.198
  216   1HE2  GLN  24          1HE2      GLN  24  19.440   1.979   3.483
  217   2HE2  GLN  24          2HE2      GLN  24  20.956   2.799   3.383
  218    H    LEU  25           H        LEU  25  18.343   0.040   1.757
  219    HA   LEU  25           HA       LEU  25  20.746   0.295   2.832
  220   1HB   LEU  25          2HB       LEU  25  18.856  -1.632   2.980
  221   2HB   LEU  25          1HB       LEU  25  20.188  -2.539   2.312
  222    HG   LEU  25           HG       LEU  25  20.480  -2.863   4.568
  223   1HD1  LEU  25          1HD1      LEU  25  22.064  -0.330   4.309
  224   2HD1  LEU  25          2HD1      LEU  25  22.491  -1.797   3.429
  225   3HD1  LEU  25          3HD1      LEU  25  22.466  -1.802   5.190
  226   1HD2  LEU  25          1HD2      LEU  25  18.764  -1.477   5.443
  227   2HD2  LEU  25          2HD2      LEU  25  19.602  -0.011   4.930
  228   3HD2  LEU  25          3HD2      LEU  25  20.265  -0.993   6.238
  229    H    VAL  26           H        VAL  26  20.307  -2.079   0.232
  230    HA   VAL  26           HA       VAL  26  22.755  -3.048   0.026
  231    HB   VAL  26           HB       VAL  26  22.373  -2.845  -2.634
  232   1HG1  VAL  26          1HG1      VAL  26  22.446  -4.834  -1.038
  233   2HG1  VAL  26          2HG1      VAL  26  21.500  -5.008  -2.517
  234   3HG1  VAL  26          3HG1      VAL  26  20.688  -4.699  -0.981
  235   1HG2  VAL  26          1HG2      VAL  26  20.344  -1.342  -2.047
  236   2HG2  VAL  26          2HG2      VAL  26  19.554  -2.862  -1.629
  237   3HG2  VAL  26          3HG2      VAL  26  20.158  -2.603  -3.267
  238    H    CYS  27           H        CYS  27  22.094  -0.580  -2.456
  239    HA   CYS  27           HA       CYS  27  24.681  -0.052  -3.086
  240   1HB   CYS  27          2HB       CYS  27  22.383   0.988  -3.948
  241   2HB   CYS  27          1HB       CYS  27  22.949   2.348  -2.978
  242    HG   CYS  27           HG       CYS  27  25.216   1.557  -4.710
  243    H    ARG  28           H        ARG  28  23.006   1.147  -0.232
  244    HA   ARG  28           HA       ARG  28  24.714   3.245   0.421
  245   1HB   ARG  28          2HB       ARG  28  22.725   2.970   1.687
  246   2HB   ARG  28          1HB       ARG  28  23.163   1.343   2.165
  247   1HG   ARG  28          2HG       ARG  28  23.350   3.203   3.902
  248   2HG   ARG  28          1HG       ARG  28  24.697   2.077   3.746
  249   1HD   ARG  28          2HD       ARG  28  25.466   3.985   2.003
  250   2HD   ARG  28          1HD       ARG  28  24.546   4.962   3.142
  251    HE   ARG  28           HE       ARG  28  26.112   3.558   4.786
  252   1HH1  ARG  28          1HH1      ARG  28  26.855   5.347   1.875
  253   2HH1  ARG  28          2HH1      ARG  28  28.483   5.690   2.355
  254   1HH2  ARG  28          1HH2      ARG  28  28.256   4.000   5.410
  255   2HH2  ARG  28          2HH2      ARG  28  29.281   4.922   4.360
  256    H    LEU  29           H        LEU  29  24.892   0.215   2.266
  257    HA   LEU  29           HA       LEU  29  27.776   0.588   2.499
  258   1HB   LEU  29          2HB       LEU  29  27.561  -0.246   4.540
  259   2HB   LEU  29          1HB       LEU  29  25.830  -0.237   4.285
  260    HG   LEU  29           HG       LEU  29  26.433  -2.641   3.198
  261   1HD1  LEU  29          1HD1      LEU  29  28.165  -2.834   5.567
  262   2HD1  LEU  29          2HD1      LEU  29  28.865  -1.974   4.196
  263   3HD1  LEU  29          3HD1      LEU  29  28.289  -3.628   3.998
  264   1HD2  LEU  29          1HD2      LEU  29  25.623  -1.726   5.899
  265   2HD2  LEU  29          2HD2      LEU  29  26.025  -3.432   5.696
  266   3HD2  LEU  29          3HD2      LEU  29  24.748  -2.705   4.721
  267    H    VAL  30           H        VAL  30  25.899  -0.878   0.293
  268    HA   VAL  30           HA       VAL  30  26.354  -3.399  -0.187
  269    HB   VAL  30           HB       VAL  30  25.388  -2.041  -1.912
  270   1HG1  VAL  30          1HG1      VAL  30  28.124  -1.039  -2.646
  271   2HG1  VAL  30          2HG1      VAL  30  27.052  -0.149  -1.563
  272   3HG1  VAL  30          3HG1      VAL  30  26.559  -0.476  -3.223
  273   1HG2  VAL  30          1HG2      VAL  30  27.841  -3.298  -3.110
  274   2HG2  VAL  30          2HG2      VAL  30  26.246  -3.111  -3.839
  275   3HG2  VAL  30          3HG2      VAL  30  26.476  -4.236  -2.500
  276    H    LEU  31           H        LEU  31  28.950  -1.109  -0.975
  277    HA   LEU  31           HA       LEU  31  30.838  -3.299  -0.537
  278   1HB   LEU  31          2HB       LEU  31  30.454  -3.054  -2.934
  279   2HB   LEU  31          1HB       LEU  31  30.824  -1.347  -2.843
  280    HG   LEU  31           HG       LEU  31  32.571  -3.402  -3.512
  281   1HD1  LEU  31          1HD1      LEU  31  34.271  -1.411  -3.074
  282   2HD1  LEU  31          2HD1      LEU  31  32.765  -0.505  -2.949
  283   3HD1  LEU  31          3HD1      LEU  31  33.130  -1.405  -4.417
  284   1HD2  LEU  31          1HD2      LEU  31  32.676  -3.802  -0.974
  285   2HD2  LEU  31          2HD2      LEU  31  33.583  -2.290  -0.920
  286   3HD2  LEU  31          3HD2      LEU  31  34.191  -3.649  -1.862
  287    H    ARG  32           H        ARG  32  31.583  -0.084  -1.720
  288    HA   ARG  32           HA       ARG  32  32.041   1.668   0.093
  289   1HB   ARG  32          2HB       ARG  32  32.789   0.386   1.897
  290   2HB   ARG  32          1HB       ARG  32  33.721  -0.697   0.875
  291   1HG   ARG  32          2HG       ARG  32  35.032   0.837   2.376
  292   2HG   ARG  32          1HG       ARG  32  35.485   0.835   0.672
  293   1HD   ARG  32          2HD       ARG  32  34.709   2.946   0.322
  294   2HD   ARG  32          1HD       ARG  32  33.459   2.808   1.556
  295    HE   ARG  32           HE       ARG  32  34.921   3.700   3.059
  296   1HH1  ARG  32          1HH1      ARG  32  36.746   2.473   0.347
  297   2HH1  ARG  32          2HH1      ARG  32  38.254   3.107   0.914
  298   1HH2  ARG  32          1HH2      ARG  32  36.897   4.530   3.808
  299   2HH2  ARG  32          2HH2      ARG  32  38.341   4.277   2.885
  300    H    CYS  33           H        CYS  33  34.420  -0.484  -1.388
  301    HA   CYS  33           HA       CYS  33  35.071   0.680  -3.703
  302   1HB   CYS  33          2HB       CYS  33  35.968   2.387  -1.490
  303   2HB   CYS  33          1HB       CYS  33  37.241   1.979  -2.624
  304    HG   CYS  33           HG       CYS  33  36.287   3.530  -4.266
  305    H    SER  34           H        SER  34  36.623  -0.049  -0.687
  306    HA   SER  34           HA       SER  34  38.231  -2.123  -2.003
  307   1HB   SER  34          2HB       SER  34  39.819  -0.428  -1.582
  308   2HB   SER  34          1HB       SER  34  39.114  -0.047  -0.010
  309    HG   SER  34           HG       SER  34  41.091  -1.299   0.066
  Start of MODEL   14
    1   1H    CYS   1          1HT       CYS   1 -38.201  -0.922  -2.227
    2   2H    CYS   1          2HT       CYS   1 -39.711  -0.197  -1.854
    3   3H    CYS   1          3HT       CYS   1 -38.965  -1.257  -0.730
    4    HA   CYS   1           HA       CYS   1 -38.187   1.453  -1.525
    5   1HB   CYS   1          2HB       CYS   1 -38.729   0.108   1.132
    6   2HB   CYS   1          1HB       CYS   1 -38.296   1.802   0.916
    7    HG   CYS   1           HG       CYS   1 -40.754   1.341  -0.657
    8    H    TRP   2           H        TRP   2 -36.198   2.252  -0.778
    9    HA   TRP   2           HA       TRP   2 -33.926   2.211  -0.746
   10   1HB   TRP   2          2HB       TRP   2 -32.908   0.538   0.929
   11   2HB   TRP   2          1HB       TRP   2 -33.890   1.832   1.539
   12    HD1  TRP   2           HD       TRP   2 -36.175   1.111   2.797
   13    HE1  TRP   2           1HE      TRP   2 -37.053  -1.178   3.602
   14    HE3  TRP   2           3HE      TRP   2 -32.942  -1.927   0.269
   15    HZ2  TRP   2           2HZ      TRP   2 -36.446  -3.916   3.204
   16    HZ3  TRP   2           3HZ      TRP   2 -33.151  -4.361   0.527
   17    HH2  TRP   2           HH       TRP   2 -34.865  -5.335   1.966
   18    H    LEU   3           H        LEU   3 -31.938   0.805  -0.743
   19    HA   LEU   3           HA       LEU   3 -31.699  -1.742  -1.494
   20   1HB   LEU   3          2HB       LEU   3 -33.227  -0.839  -3.457
   21   2HB   LEU   3          1HB       LEU   3 -31.692  -0.306  -4.104
   22    HG   LEU   3           HG       LEU   3 -31.132  -2.886  -3.439
   23   1HD1  LEU   3          1HD1      LEU   3 -33.827  -2.848  -3.161
   24   2HD1  LEU   3          2HD1      LEU   3 -32.904  -4.275  -3.633
   25   3HD1  LEU   3          3HD1      LEU   3 -33.681  -3.280  -4.865
   26   1HD2  LEU   3          1HD2      LEU   3 -30.788  -1.464  -5.567
   27   2HD2  LEU   3          2HD2      LEU   3 -32.300  -2.200  -6.110
   28   3HD2  LEU   3          3HD2      LEU   3 -30.913  -3.219  -5.726
   29    H    CYS   4           H        CYS   4 -30.765   1.416  -2.676
   30    HA   CYS   4           HA       CYS   4 -28.255   1.093  -3.592
   31   1HB   CYS   4          2HB       CYS   4 -29.791   3.221  -2.422
   32   2HB   CYS   4          1HB       CYS   4 -28.091   3.389  -2.023
   33    HG   CYS   4           HG       CYS   4 -29.247   3.481  -4.897
   34    H    ARG   5           H        ARG   5 -29.185   0.616  -0.293
   35    HA   ARG   5           HA       ARG   5 -26.790   1.154   1.027
   36   1HB   ARG   5          2HB       ARG   5 -29.204  -0.008   1.721
   37   2HB   ARG   5          1HB       ARG   5 -28.040  -1.294   2.007
   38   1HG   ARG   5          2HG       ARG   5 -27.004  -0.171   3.702
   39   2HG   ARG   5          1HG       ARG   5 -27.414   1.415   3.048
   40   1HD   ARG   5          2HD       ARG   5 -29.284  -0.503   4.434
   41   2HD   ARG   5          1HD       ARG   5 -28.674   1.022   5.076
   42    HE   ARG   5           HE       ARG   5 -29.923   1.726   2.760
   43   1HH1  ARG   5          1HH1      ARG   5 -30.901  -0.041   5.606
   44   2HH1  ARG   5          2HH1      ARG   5 -32.553   0.470   5.510
   45   1HH2  ARG   5          1HH2      ARG   5 -32.094   2.386   2.619
   46   2HH2  ARG   5          2HH2      ARG   5 -33.232   1.845   3.808
   47    H    ALA   6           H        ALA   6 -27.302  -1.235  -1.338
   48    HA   ALA   6           HA       ALA   6 -25.252  -3.024  -0.398
   49   1HB   ALA   6          1HB       ALA   6 -26.330  -3.057  -3.182
   50   2HB   ALA   6          2HB       ALA   6 -27.345  -3.554  -1.829
   51   3HB   ALA   6          3HB       ALA   6 -25.833  -4.403  -2.154
   52    H    LEU   7           H        LEU   7 -25.516  -0.507  -2.878
   53    HA   LEU   7           HA       LEU   7 -22.960  -0.965  -3.990
   54   1HB   LEU   7          2HB       LEU   7 -23.560   1.780  -4.302
   55   2HB   LEU   7          1HB       LEU   7 -23.659   0.504  -5.497
   56    HG   LEU   7           HG       LEU   7 -25.891   1.181  -3.606
   57   1HD1  LEU   7          1HD1      LEU   7 -26.832   2.065  -5.905
   58   2HD1  LEU   7          2HD1      LEU   7 -25.119   2.338  -6.223
   59   3HD1  LEU   7          3HD1      LEU   7 -25.890   3.102  -4.832
   60   1HD2  LEU   7          1HD2      LEU   7 -26.920  -0.598  -4.458
   61   2HD2  LEU   7          2HD2      LEU   7 -25.430  -1.012  -5.304
   62   3HD2  LEU   7          3HD2      LEU   7 -26.651  -0.019  -6.101
   63    H    ILE   8           H        ILE   8 -24.098   0.740  -1.190
   64    HA   ILE   8           HA       ILE   8 -21.675   2.196  -0.920
   65    HB   ILE   8           HB       ILE   8 -22.513   2.526   1.531
   66   1HG1  ILE   8          2HG1      ILE   8 -25.248   2.228   0.549
   67   2HG1  ILE   8          1HG1      ILE   8 -24.397   0.696   0.701
   68   1HG2  ILE   8          1HG2      ILE   8 -24.361   3.793  -0.405
   69   2HG2  ILE   8          2HG2      ILE   8 -22.632   4.018  -0.669
   70   3HG2  ILE   8          3HG2      ILE   8 -23.363   4.518   0.856
   71   1HD1  ILE   8          1HD1      ILE   8 -25.179   0.807   2.804
   72   2HD1  ILE   8          2HD1      ILE   8 -25.305   2.567   2.778
   73   3HD1  ILE   8          3HD1      ILE   8 -23.740   1.797   3.046
   74    H    LYS   9           H        LYS   9 -22.916  -0.816   0.474
   75    HA   LYS   9           HA       LYS   9 -20.749  -1.176   2.257
   76   1HB   LYS   9          2HB       LYS   9 -21.542  -3.347   2.648
   77   2HB   LYS   9          1HB       LYS   9 -22.991  -2.445   2.230
   78   1HG   LYS   9          2HG       LYS   9 -22.948  -3.363  -0.013
   79   2HG   LYS   9          1HG       LYS   9 -21.440  -4.201   0.331
   80   1HD   LYS   9          2HD       LYS   9 -22.894  -5.914   0.715
   81   2HD   LYS   9          1HD       LYS   9 -22.904  -5.190   2.325
   82   1HE   LYS   9          2HE       LYS   9 -24.875  -3.801   1.499
   83   2HE   LYS   9          1HE       LYS   9 -24.940  -4.913   0.133
   84   1HZ   LYS   9          1HZ       LYS   9 -26.399  -5.420   2.131
   85   2HZ   LYS   9          2HZ       LYS   9 -24.978  -5.889   2.920
   86   3HZ   LYS   9          3HZ       LYS   9 -25.468  -6.691   1.515
   87    H    ARG  10           H        ARG  10 -20.986  -1.426  -1.114
   88    HA   ARG  10           HA       ARG  10 -18.830  -3.265  -1.523
   89   1HB   ARG  10          2HB       ARG  10 -20.378  -1.395  -3.284
   90   2HB   ARG  10          1HB       ARG  10 -18.896  -2.132  -3.881
   91   1HG   ARG  10          2HG       ARG  10 -19.901  -4.090  -4.225
   92   2HG   ARG  10          1HG       ARG  10 -20.641  -4.062  -2.621
   93   1HD   ARG  10          2HD       ARG  10 -22.149  -2.240  -3.775
   94   2HD   ARG  10          1HD       ARG  10 -21.715  -3.138  -5.224
   95    HE   ARG  10           HE       ARG  10 -23.547  -3.932  -3.205
   96   1HH1  ARG  10          1HH1      ARG  10 -21.154  -5.225  -5.397
   97   2HH1  ARG  10          2HH1      ARG  10 -21.882  -6.796  -5.463
   98   1HH2  ARG  10          1HH2      ARG  10 -24.512  -5.994  -3.295
   99   2HH2  ARG  10          2HH2      ARG  10 -23.785  -7.236  -4.258
  100    H    ILE  11           H        ILE  11 -19.181   0.261  -1.672
  101    HA   ILE  11           HA       ILE  11 -16.504   0.871  -2.213
  102    HB   ILE  11           HB       ILE  11 -18.403   2.405  -0.424
  103   1HG1  ILE  11          2HG1      ILE  11 -18.020   3.397  -3.147
  104   2HG1  ILE  11          1HG1      ILE  11 -18.754   1.797  -3.103
  105   1HG2  ILE  11          1HG2      ILE  11 -17.056   4.297  -0.710
  106   2HG2  ILE  11          2HG2      ILE  11 -16.149   3.560  -2.031
  107   3HG2  ILE  11          3HG2      ILE  11 -15.922   2.986  -0.379
  108   1HD1  ILE  11          1HD1      ILE  11 -20.068   3.331  -1.152
  109   2HD1  ILE  11          2HD1      ILE  11 -20.702   2.753  -2.694
  110   3HD1  ILE  11          3HD1      ILE  11 -19.939   4.340  -2.593
  111    H    GLN  12           H        GLN  12 -18.216  -0.024   0.690
  112    HA   GLN  12           HA       GLN  12 -16.200   0.526   2.599
  113   1HB   GLN  12          2HB       GLN  12 -18.342   0.133   3.479
  114   2HB   GLN  12          1HB       GLN  12 -18.565  -1.332   2.537
  115   1HG   GLN  12          2HG       GLN  12 -16.401  -1.265   4.573
  116   2HG   GLN  12          1HG       GLN  12 -18.070  -1.402   5.116
  117   1HE2  GLN  12          1HE2      GLN  12 -15.375  -3.060   4.040
  118   2HE2  GLN  12          2HE2      GLN  12 -16.108  -4.592   3.719
  119    H    ALA  13           H        ALA  13 -16.656  -2.098   0.346
  120    HA   ALA  13           HA       ALA  13 -14.709  -3.784   1.681
  121   1HB   ALA  13          1HB       ALA  13 -15.218  -5.110  -0.588
  122   2HB   ALA  13          2HB       ALA  13 -16.662  -4.102  -0.497
  123   3HB   ALA  13          3HB       ALA  13 -16.258  -5.180   0.837
  124    H    MET  14           H        MET  14 -14.660  -1.520  -0.943
  125    HA   MET  14           HA       MET  14 -12.198  -2.639  -2.031
  126   1HB   MET  14          2HB       MET  14 -12.509  -0.365  -3.462
  127   2HB   MET  14          1HB       MET  14 -13.224  -1.911  -3.882
  128   1HG   MET  14          2HG       MET  14 -15.319  -1.221  -3.432
  129   2HG   MET  14          1HG       MET  14 -14.822  -0.204  -2.082
  130   1HE   MET  14          1HE       MET  14 -14.486   3.132  -3.182
  131   2HE   MET  14          2HE       MET  14 -12.919   2.382  -3.480
  132   3HE   MET  14          3HE       MET  14 -13.894   1.866  -2.105
  133    H    ILE  15           H        ILE  15 -12.921  -0.447   0.378
  134    HA   ILE  15           HA       ILE  15 -11.382   1.586   0.282
  135    HB   ILE  15           HB       ILE  15 -10.788   0.667   2.846
  136   1HG1  ILE  15          2HG1      ILE  15 -13.721   0.520   2.172
  137   2HG1  ILE  15          1HG1      ILE  15 -12.695  -0.910   2.130
  138   1HG2  ILE  15          1HG2      ILE  15 -11.673   2.638   3.522
  139   2HG2  ILE  15          2HG2      ILE  15 -13.007   2.567   2.370
  140   3HG2  ILE  15          3HG2      ILE  15 -11.396   3.039   1.827
  141   1HD1  ILE  15          1HD1      ILE  15 -12.585   0.730   4.580
  142   2HD1  ILE  15          2HD1      ILE  15 -12.520  -1.021   4.374
  143   3HD1  ILE  15          3HD1      ILE  15 -14.068  -0.177   4.282
  144    HA   PRO  16           HA       PRO  16  -7.478  -0.848   2.097
  145   1HB   PRO  16          2HB       PRO  16  -7.994  -2.874  -0.028
  146   2HB   PRO  16          1HB       PRO  16  -7.348  -3.088   1.603
  147   1HG   PRO  16          2HG       PRO  16  -9.937  -3.614   1.053
  148   2HG   PRO  16          1HG       PRO  16  -9.432  -2.926   2.609
  149   1HD   PRO  16          2HD       PRO  16 -10.841  -1.571   0.348
  150   2HD   PRO  16          1HD       PRO  16 -10.846  -1.129   2.025
  151    H    LYS  17           H        LYS  17  -5.362  -1.114   1.343
  152    HA   LYS  17           HA       LYS  17  -3.984  -1.168  -0.870
  153   1HB   LYS  17          2HB       LYS  17  -5.523   1.383  -0.964
  154   2HB   LYS  17          1HB       LYS  17  -3.840   1.449  -1.465
  155   1HG   LYS  17          2HG       LYS  17  -5.029  -0.805  -2.711
  156   2HG   LYS  17          1HG       LYS  17  -6.096   0.581  -2.944
  157   1HD   LYS  17          2HD       LYS  17  -4.754   1.135  -4.649
  158   2HD   LYS  17          1HD       LYS  17  -3.594   1.636  -3.419
  159   1HE   LYS  17          2HE       LYS  17  -2.184   0.029  -4.025
  160   2HE   LYS  17          1HE       LYS  17  -3.428  -1.202  -3.818
  161   1HZ   LYS  17          1HZ       LYS  17  -4.223  -0.677  -6.065
  162   2HZ   LYS  17          2HZ       LYS  17  -2.622  -1.221  -6.069
  163   3HZ   LYS  17          3HZ       LYS  17  -2.955   0.426  -6.257
  164    H    GLY  18           H        GLY  18  -1.801  -0.318  -0.749
  165   1HA   GLY  18          2HA       GLY  18  -1.094   1.475   1.390
  166   2HA   GLY  18          1HA       GLY  18  -0.721  -0.194   1.767
  167    H    GLY  19           H        GLY  19   0.932  -1.263   0.627
  168   1HA   GLY  19          2HA       GLY  19   2.971  -1.449  -0.459
  169   2HA   GLY  19          1HA       GLY  19   2.431  -0.152  -1.513
  170    H    ARG  20           H        ARG  20   5.104  -0.529  -0.675
  171    HA   ARG  20           HA       ARG  20   6.511   1.493  -0.405
  172   1HB   ARG  20          2HB       ARG  20   4.914   2.827   0.847
  173   2HB   ARG  20          1HB       ARG  20   4.943   1.681   2.180
  174   1HG   ARG  20          2HG       ARG  20   7.570   2.767   1.474
  175   2HG   ARG  20          1HG       ARG  20   6.409   3.969   2.043
  176   1HD   ARG  20          2HD       ARG  20   6.793   3.326   4.132
  177   2HD   ARG  20          1HD       ARG  20   6.184   1.718   3.740
  178    HE   ARG  20           HE       ARG  20   8.870   1.973   2.900
  179   1HH1  ARG  20          1HH1      ARG  20   6.940   1.635   5.788
  180   2HH1  ARG  20          2HH1      ARG  20   8.197   0.853   6.687
  181   1HH2  ARG  20          1HH2      ARG  20  10.525   0.941   4.083
  182   2HH2  ARG  20          2HH2      ARG  20  10.230   0.458   5.720
  183    H    MET  21           H        MET  21   7.902  -0.312  -0.586
  184    HA   MET  21           HA       MET  21   8.595  -1.722   1.872
  185   1HB   MET  21          2HB       MET  21  10.213  -2.942   0.282
  186   2HB   MET  21          1HB       MET  21   8.491  -3.258   0.126
  187   1HG   MET  21          2HG       MET  21   9.450  -1.060  -1.541
  188   2HG   MET  21          1HG       MET  21  10.189  -2.614  -1.908
  189   1HE   MET  21          1HE       MET  21   7.206  -1.740  -4.503
  190   2HE   MET  21          2HE       MET  21   8.950  -1.632  -4.263
  191   3HE   MET  21          3HE       MET  21   7.876  -0.486  -3.461
  192    H    LEU  22           H        LEU  22  10.124   0.306  -0.548
  193    HA   LEU  22           HA       LEU  22  11.988   1.622  -0.544
  194   1HB   LEU  22          2HB       LEU  22  10.787   2.714   1.243
  195   2HB   LEU  22          1HB       LEU  22  11.442   1.588   2.417
  196    HG   LEU  22           HG       LEU  22  13.375   3.202   0.834
  197   1HD1  LEU  22          1HD1      LEU  22  11.428   4.298   2.804
  198   2HD1  LEU  22          2HD1      LEU  22  12.085   5.028   1.340
  199   3HD1  LEU  22          3HD1      LEU  22  13.078   4.920   2.793
  200   1HD2  LEU  22          1HD2      LEU  22  14.200   3.260   3.384
  201   2HD2  LEU  22          2HD2      LEU  22  14.559   1.929   2.284
  202   3HD2  LEU  22          3HD2      LEU  22  13.224   1.792   3.428
  203    HA   PRO  23           HA       PRO  23  15.267  -1.376   0.607
  204   1HB   PRO  23          2HB       PRO  23  15.965  -2.075  -1.866
  205   2HB   PRO  23          1HB       PRO  23  14.462  -2.665  -1.147
  206   1HG   PRO  23          2HG       PRO  23  14.856  -0.696  -3.304
  207   2HG   PRO  23          1HG       PRO  23  13.415  -1.643  -2.901
  208   1HD   PRO  23          2HD       PRO  23  14.077   1.101  -2.156
  209   2HD   PRO  23          1HD       PRO  23  12.533   0.234  -1.964
  210    H    GLN  24           H        GLN  24  16.410   0.774   1.305
  211    HA   GLN  24           HA       GLN  24  18.222   1.880  -0.699
  212   1HB   GLN  24          2HB       GLN  24  17.052   3.413   0.808
  213   2HB   GLN  24          1HB       GLN  24  17.802   2.631   2.193
  214   1HG   GLN  24          2HG       GLN  24  19.738   3.557   0.226
  215   2HG   GLN  24          1HG       GLN  24  18.743   4.852   0.889
  216   1HE2  GLN  24          1HE2      GLN  24  21.629   3.880   1.222
  217   2HE2  GLN  24          2HE2      GLN  24  21.854   3.875   2.935
  218    H    LEU  25           H        LEU  25  18.357  -0.140   2.113
  219    HA   LEU  25           HA       LEU  25  20.733  -0.158   3.200
  220   1HB   LEU  25          2HB       LEU  25  18.855  -2.043   3.036
  221   2HB   LEU  25          1HB       LEU  25  20.081  -2.815   2.075
  222    HG   LEU  25           HG       LEU  25  20.461  -3.681   4.181
  223   1HD1  LEU  25          1HD1      LEU  25  22.496  -2.753   3.163
  224   2HD1  LEU  25          2HD1      LEU  25  22.569  -2.778   4.924
  225   3HD1  LEU  25          3HD1      LEU  25  22.255  -1.264   4.077
  226   1HD2  LEU  25          1HD2      LEU  25  20.094  -2.672   6.206
  227   2HD2  LEU  25          2HD2      LEU  25  18.924  -1.810   5.206
  228   3HD2  LEU  25          3HD2      LEU  25  20.471  -1.059   5.600
  229    H    VAL  26           H        VAL  26  20.346  -2.047   0.235
  230    HA   VAL  26           HA       VAL  26  22.821  -2.907  -0.186
  231    HB   VAL  26           HB       VAL  26  21.106  -1.771  -2.399
  232   1HG1  VAL  26          1HG1      VAL  26  23.526  -3.516  -2.381
  233   2HG1  VAL  26          2HG1      VAL  26  23.080  -2.219  -3.488
  234   3HG1  VAL  26          3HG1      VAL  26  22.284  -3.787  -3.603
  235   1HG2  VAL  26          1HG2      VAL  26  19.650  -3.286  -1.605
  236   2HG2  VAL  26          2HG2      VAL  26  20.890  -4.168  -0.715
  237   3HG2  VAL  26          3HG2      VAL  26  20.687  -4.438  -2.446
  238    H    CYS  27           H        CYS  27  22.018  -0.118  -2.263
  239    HA   CYS  27           HA       CYS  27  24.520   0.589  -2.936
  240   1HB   CYS  27          2HB       CYS  27  22.195   1.724  -3.475
  241   2HB   CYS  27          1HB       CYS  27  22.764   2.891  -2.282
  242    HG   CYS  27           HG       CYS  27  24.990   2.615  -4.170
  243    H    ARG  28           H        ARG  28  23.058   1.203   0.196
  244    HA   ARG  28           HA       ARG  28  24.821   3.137   1.158
  245   1HB   ARG  28          2HB       ARG  28  22.781   1.958   2.309
  246   2HB   ARG  28          1HB       ARG  28  24.010   0.865   2.931
  247   1HG   ARG  28          2HG       ARG  28  23.912   3.847   3.339
  248   2HG   ARG  28          1HG       ARG  28  23.537   2.608   4.538
  249   1HD   ARG  28          2HD       ARG  28  25.697   3.058   5.124
  250   2HD   ARG  28          1HD       ARG  28  25.979   1.789   3.933
  251    HE   ARG  28           HE       ARG  28  25.989   4.217   2.579
  252   1HH1  ARG  28          1HH1      ARG  28  27.874   2.609   5.039
  253   2HH1  ARG  28          2HH1      ARG  28  29.346   3.414   4.612
  254   1HH2  ARG  28          1HH2      ARG  28  27.926   5.278   2.020
  255   2HH2  ARG  28          2HH2      ARG  28  29.377   4.927   2.898
  256    H    LEU  29           H        LEU  29  25.129  -0.283   2.079
  257    HA   LEU  29           HA       LEU  29  28.015   0.055   2.368
  258   1HB   LEU  29          2HB       LEU  29  27.970  -1.715   3.807
  259   2HB   LEU  29          1HB       LEU  29  26.347  -1.090   4.014
  260    HG   LEU  29           HG       LEU  29  25.894  -3.328   3.868
  261   1HD1  LEU  29          1HD1      LEU  29  24.657  -3.657   2.024
  262   2HD1  LEU  29          2HD1      LEU  29  25.962  -3.202   0.932
  263   3HD1  LEU  29          3HD1      LEU  29  25.029  -1.957   1.756
  264   1HD2  LEU  29          1HD2      LEU  29  27.466  -4.353   1.727
  265   2HD2  LEU  29          2HD2      LEU  29  27.505  -4.782   3.436
  266   3HD2  LEU  29          3HD2      LEU  29  28.517  -3.468   2.835
  267    H    VAL  30           H        VAL  30  26.032  -0.890  -0.086
  268    HA   VAL  30           HA       VAL  30  26.691  -3.168  -1.203
  269    HB   VAL  30           HB       VAL  30  25.255  -1.520  -2.279
  270   1HG1  VAL  30          1HG1      VAL  30  26.190   0.257  -3.636
  271   2HG1  VAL  30          2HG1      VAL  30  27.827  -0.280  -3.266
  272   3HG1  VAL  30          3HG1      VAL  30  26.816   0.397  -1.992
  273   1HG2  VAL  30          1HG2      VAL  30  25.829  -2.087  -4.595
  274   2HG2  VAL  30          2HG2      VAL  30  26.008  -3.485  -3.535
  275   3HG2  VAL  30          3HG2      VAL  30  27.434  -2.597  -4.075
  276    H    LEU  31           H        LEU  31  29.067  -0.538  -1.130
  277    HA   LEU  31           HA       LEU  31  31.244  -2.221  -1.458
  278   1HB   LEU  31          2HB       LEU  31  30.202  -2.661  -3.681
  279   2HB   LEU  31          1HB       LEU  31  30.402  -0.965  -4.075
  280    HG   LEU  31           HG       LEU  31  32.132  -2.713  -4.944
  281   1HD1  LEU  31          1HD1      LEU  31  33.452  -0.392  -3.630
  282   2HD1  LEU  31          2HD1      LEU  31  32.186  -0.086  -4.820
  283   3HD1  LEU  31          3HD1      LEU  31  33.621  -1.006  -5.275
  284   1HD2  LEU  31          1HD2      LEU  31  32.419  -3.540  -2.507
  285   2HD2  LEU  31          2HD2      LEU  31  33.475  -2.139  -2.331
  286   3HD2  LEU  31          3HD2      LEU  31  33.847  -3.377  -3.531
  287    H    ARG  32           H        ARG  32  31.792  -0.581   0.115
  288    HA   ARG  32           HA       ARG  32  32.097   2.131  -0.388
  289   1HB   ARG  32          2HB       ARG  32  32.434   1.658   1.832
  290   2HB   ARG  32          1HB       ARG  32  33.305   0.172   1.489
  291   1HG   ARG  32          2HG       ARG  32  34.677   1.936   2.563
  292   2HG   ARG  32          1HG       ARG  32  35.312   1.370   1.018
  293   1HD   ARG  32          2HD       ARG  32  34.789   3.342  -0.066
  294   2HD   ARG  32          1HD       ARG  32  33.522   3.759   1.087
  295    HE   ARG  32           HE       ARG  32  35.092   4.921   2.250
  296   1HH1  ARG  32          1HH1      ARG  32  36.732   2.448   0.416
  297   2HH1  ARG  32          2HH1      ARG  32  38.312   2.944   0.918
  298   1HH2  ARG  32          1HH2      ARG  32  37.177   5.580   2.910
  299   2HH2  ARG  32          2HH2      ARG  32  38.565   4.719   2.334
  300    H    CYS  33           H        CYS  33  34.556  -0.400  -0.609
  301    HA   CYS  33           HA       CYS  33  35.655   0.022  -3.034
  302   1HB   CYS  33          2HB       CYS  33  36.673   2.006  -3.057
  303   2HB   CYS  33          1HB       CYS  33  36.126   2.362  -1.448
  304    HG   CYS  33           HG       CYS  33  38.411   1.460  -0.568
  305    H    SER  34           H        SER  34  36.830   0.326   0.184
  306    HA   SER  34           HA       SER  34  38.855  -1.676  -0.226
  307   1HB   SER  34          2HB       SER  34  38.788   0.521   1.357
  308   2HB   SER  34          1HB       SER  34  38.376  -0.728   2.534
  309    HG   SER  34           HG       SER  34  40.759  -0.205   1.297
  Start of MODEL   15
    1   1H    CYS   1          1HT       CYS   1 -37.676  -0.088  -2.112
    2   2H    CYS   1          2HT       CYS   1 -39.162   0.524  -1.511
    3   3H    CYS   1          3HT       CYS   1 -38.541  -0.961  -0.919
    4    HA   CYS   1           HA       CYS   1 -37.637   1.773  -0.422
    5   1HB   CYS   1          2HB       CYS   1 -38.309  -0.656   1.251
    6   2HB   CYS   1          1HB       CYS   1 -37.630   0.825   1.917
    7    HG   CYS   1           HG       CYS   1 -40.487   0.604   0.714
    8    H    TRP   2           H        TRP   2 -35.567   2.180   0.256
    9    HA   TRP   2           HA       TRP   2 -33.291   1.998   0.130
   10   1HB   TRP   2          2HB       TRP   2 -32.473  -0.196   1.331
   11   2HB   TRP   2          1HB       TRP   2 -33.235   1.085   2.237
   12    HD1  TRP   2           HD       TRP   2 -35.657   0.571   3.281
   13    HE1  TRP   2           1HE      TRP   2 -36.944  -1.633   3.636
   14    HE3  TRP   2           3HE      TRP   2 -32.875  -2.482   0.278
   15    HZ2  TRP   2           2HZ      TRP   2 -36.795  -4.315   2.752
   16    HZ3  TRP   2           3HZ      TRP   2 -33.504  -4.850   0.082
   17    HH2  TRP   2           HH       TRP   2 -35.427  -5.748   1.296
   18    H    LEU   3           H        LEU   3 -31.448   0.281  -0.178
   19    HA   LEU   3           HA       LEU   3 -31.315  -1.928  -1.514
   20   1HB   LEU   3          2HB       LEU   3 -33.001  -0.930  -3.151
   21   2HB   LEU   3          1HB       LEU   3 -31.689   0.058  -3.748
   22    HG   LEU   3           HG       LEU   3 -30.475  -2.240  -4.040
   23   1HD1  LEU   3          1HD1      LEU   3 -32.732  -3.223  -2.941
   24   2HD1  LEU   3          2HD1      LEU   3 -31.700  -4.135  -4.044
   25   3HD1  LEU   3          3HD1      LEU   3 -33.146  -3.326  -4.651
   26   1HD2  LEU   3          1HD2      LEU   3 -31.139  -0.650  -5.825
   27   2HD2  LEU   3          2HD2      LEU   3 -32.714  -1.440  -5.894
   28   3HD2  LEU   3          3HD2      LEU   3 -31.257  -2.340  -6.314
   29    H    CYS   4           H        CYS   4 -30.414   1.310  -2.601
   30    HA   CYS   4           HA       CYS   4 -27.886   0.915  -3.524
   31   1HB   CYS   4          2HB       CYS   4 -29.413   3.147  -2.522
   32   2HB   CYS   4          1HB       CYS   4 -27.715   3.323  -2.104
   33    HG   CYS   4           HG       CYS   4 -28.836   3.918  -4.759
   34    H    ARG   5           H        ARG   5 -28.867   0.672  -0.237
   35    HA   ARG   5           HA       ARG   5 -26.532   1.291   1.118
   36   1HB   ARG   5          2HB       ARG   5 -28.926   0.521   1.933
   37   2HB   ARG   5          1HB       ARG   5 -28.146  -1.051   2.022
   38   1HG   ARG   5          2HG       ARG   5 -26.683  -0.371   3.694
   39   2HG   ARG   5          1HG       ARG   5 -26.931   1.342   3.346
   40   1HD   ARG   5          2HD       ARG   5 -28.050   0.304   5.440
   41   2HD   ARG   5          1HD       ARG   5 -28.983   1.397   4.419
   42    HE   ARG   5           HE       ARG   5 -29.267  -1.377   3.716
   43   1HH1  ARG   5          1HH1      ARG   5 -30.457   1.198   5.748
   44   2HH1  ARG   5          2HH1      ARG   5 -32.017   0.477   5.960
   45   1HH2  ARG   5          1HH2      ARG   5 -31.319  -2.322   3.987
   46   2HH2  ARG   5          2HH2      ARG   5 -32.508  -1.520   4.960
   47    H    ALA   6           H        ALA   6 -27.159  -1.450  -0.875
   48    HA   ALA   6           HA       ALA   6 -25.111  -3.100   0.252
   49   1HB   ALA   6          1HB       ALA   6 -27.234  -3.571  -1.372
   50   2HB   ALA   6          2HB       ALA   6 -25.899  -4.695  -1.115
   51   3HB   ALA   6          3HB       ALA   6 -25.898  -3.630  -2.523
   52    H    LEU   7           H        LEU   7 -25.342  -1.218  -2.768
   53    HA   LEU   7           HA       LEU   7 -22.743  -1.769  -3.624
   54   1HB   LEU   7          2HB       LEU   7 -23.112   0.483  -4.919
   55   2HB   LEU   7          1HB       LEU   7 -23.974  -0.973  -5.365
   56    HG   LEU   7           HG       LEU   7 -25.383   0.675  -3.398
   57   1HD1  LEU   7          1HD1      LEU   7 -25.771   1.873  -5.998
   58   2HD1  LEU   7          2HD1      LEU   7 -24.119   2.094  -5.420
   59   3HD1  LEU   7          3HD1      LEU   7 -25.477   2.638  -4.436
   60   1HD2  LEU   7          1HD2      LEU   7 -26.694  -0.994  -4.254
   61   2HD2  LEU   7          2HD2      LEU   7 -25.976  -0.883  -5.860
   62   3HD2  LEU   7          3HD2      LEU   7 -27.132   0.337  -5.326
   63    H    ILE   8           H        ILE   8 -23.953   0.477  -1.262
   64    HA   ILE   8           HA       ILE   8 -21.628   2.117  -1.409
   65    HB   ILE   8           HB       ILE   8 -22.423   2.923   0.918
   66   1HG1  ILE   8          2HG1      ILE   8 -25.123   2.045   0.162
   67   2HG1  ILE   8          1HG1      ILE   8 -24.063   0.761   0.725
   68   1HG2  ILE   8          1HG2      ILE   8 -24.120   3.332  -1.543
   69   2HG2  ILE   8          2HG2      ILE   8 -22.649   4.215  -1.135
   70   3HG2  ILE   8          3HG2      ILE   8 -24.087   4.386  -0.129
   71   1HD1  ILE   8          1HD1      ILE   8 -25.233   3.034   2.191
   72   2HD1  ILE   8          2HD1      ILE   8 -23.598   2.548   2.642
   73   3HD1  ILE   8          3HD1      ILE   8 -24.918   1.380   2.716
   74    H    LYS   9           H        LYS   9 -22.636  -0.578   0.666
   75    HA   LYS   9           HA       LYS   9 -20.331  -0.365   2.332
   76   1HB   LYS   9          2HB       LYS   9 -20.998  -2.660   3.117
   77   2HB   LYS   9          1HB       LYS   9 -22.249  -1.435   3.272
   78   1HG   LYS   9          2HG       LYS   9 -23.467  -2.303   1.457
   79   2HG   LYS   9          1HG       LYS   9 -22.107  -3.287   0.913
   80   1HD   LYS   9          2HD       LYS   9 -22.491  -4.912   2.459
   81   2HD   LYS   9          1HD       LYS   9 -23.110  -3.777   3.659
   82   1HE   LYS   9          2HE       LYS   9 -25.187  -3.571   2.335
   83   2HE   LYS   9          1HE       LYS   9 -24.567  -4.789   1.220
   84   1HZ   LYS   9          1HZ       LYS   9 -24.846  -6.453   2.736
   85   2HZ   LYS   9          2HZ       LYS   9 -26.124  -5.443   3.199
   86   3HZ   LYS   9          3HZ       LYS   9 -24.678  -5.435   4.078
   87    H    ARG  10           H        ARG  10 -20.781  -1.520  -0.763
   88    HA   ARG  10           HA       ARG  10 -18.766  -3.557  -0.723
   89   1HB   ARG  10          2HB       ARG  10 -20.285  -2.162  -2.901
   90   2HB   ARG  10          1HB       ARG  10 -18.947  -3.245  -3.274
   91   1HG   ARG  10          2HG       ARG  10 -20.087  -5.087  -2.680
   92   2HG   ARG  10          1HG       ARG  10 -20.965  -4.255  -1.396
   93   1HD   ARG  10          2HD       ARG  10 -22.601  -3.501  -2.810
   94   2HD   ARG  10          1HD       ARG  10 -21.547  -3.533  -4.222
   95    HE   ARG  10           HE       ARG  10 -22.069  -5.761  -4.543
   96   1HH1  ARG  10          1HH1      ARG  10 -23.404  -4.645  -1.510
   97   2HH1  ARG  10          2HH1      ARG  10 -24.391  -6.051  -1.290
   98   1HH2  ARG  10          1HH2      ARG  10 -23.354  -7.611  -4.241
   99   2HH2  ARG  10          2HH2      ARG  10 -24.364  -7.733  -2.840
  100    H    ILE  11           H        ILE  11 -18.913  -0.413  -2.376
  101    HA   ILE  11           HA       ILE  11 -16.212  -0.263  -3.034
  102    HB   ILE  11           HB       ILE  11 -18.261   1.333  -3.547
  103   1HG1  ILE  11          2HG1      ILE  11 -15.450   2.422  -3.318
  104   2HG1  ILE  11          1HG1      ILE  11 -15.995   1.348  -4.603
  105   1HG2  ILE  11          1HG2      ILE  11 -18.261   3.395  -2.358
  106   2HG2  ILE  11          2HG2      ILE  11 -16.853   2.914  -1.412
  107   3HG2  ILE  11          3HG2      ILE  11 -18.396   2.093  -1.176
  108   1HD1  ILE  11          1HD1      ILE  11 -16.075   3.501  -5.510
  109   2HD1  ILE  11          2HD1      ILE  11 -16.823   4.176  -4.063
  110   3HD1  ILE  11          3HD1      ILE  11 -17.748   3.107  -5.117
  111    H    GLN  12           H        GLN  12 -17.915   0.345  -0.078
  112    HA   GLN  12           HA       GLN  12 -16.075   1.803   1.395
  113   1HB   GLN  12          2HB       GLN  12 -18.505   0.758   1.886
  114   2HB   GLN  12          1HB       GLN  12 -17.514  -0.353   2.822
  115   1HG   GLN  12          2HG       GLN  12 -17.656   2.636   3.115
  116   2HG   GLN  12          1HG       GLN  12 -18.269   1.422   4.238
  117   1HE2  GLN  12          1HE2      GLN  12 -16.246  -0.334   4.403
  118   2HE2  GLN  12          2HE2      GLN  12 -14.849   0.410   5.091
  119    H    ALA  13           H        ALA  13 -16.375  -1.751   1.256
  120    HA   ALA  13           HA       ALA  13 -14.163  -2.219   2.954
  121   1HB   ALA  13          1HB       ALA  13 -14.759  -4.380   2.860
  122   2HB   ALA  13          2HB       ALA  13 -14.942  -4.364   1.107
  123   3HB   ALA  13          3HB       ALA  13 -16.220  -3.713   2.133
  124    H    MET  14           H        MET  14 -14.373  -2.218  -0.566
  125    HA   MET  14           HA       MET  14 -11.649  -3.196  -0.802
  126   1HB   MET  14          2HB       MET  14 -12.287  -2.740  -3.356
  127   2HB   MET  14          1HB       MET  14 -12.783  -4.179  -2.479
  128   1HG   MET  14          2HG       MET  14 -14.965  -3.367  -2.165
  129   2HG   MET  14          1HG       MET  14 -14.508  -1.729  -2.630
  130   1HE   MET  14          1HE       MET  14 -16.555  -4.645  -3.933
  131   2HE   MET  14          2HE       MET  14 -17.024  -3.599  -5.273
  132   3HE   MET  14          3HE       MET  14 -17.009  -2.965  -3.628
  133    H    ILE  15           H        ILE  15 -12.667  -0.082  -0.310
  134    HA   ILE  15           HA       ILE  15 -11.531   1.337  -2.208
  135    HB   ILE  15           HB       ILE  15 -11.024   3.012  -0.139
  136   1HG1  ILE  15          2HG1      ILE  15 -13.783   1.904   0.222
  137   2HG1  ILE  15          1HG1      ILE  15 -12.450   1.088   1.023
  138   1HG2  ILE  15          1HG2      ILE  15 -13.645   3.098  -1.495
  139   2HG2  ILE  15          2HG2      ILE  15 -12.205   3.195  -2.504
  140   3HG2  ILE  15          3HG2      ILE  15 -12.460   4.374  -1.220
  141   1HD1  ILE  15          1HD1      ILE  15 -13.823   3.496   1.752
  142   2HD1  ILE  15          2HD1      ILE  15 -12.087   3.791   1.579
  143   3HD1  ILE  15          3HD1      ILE  15 -12.666   2.534   2.674
  144    HA   PRO  16           HA       PRO  16  -7.282   2.238  -0.364
  145   1HB   PRO  16          2HB       PRO  16  -7.015   1.431   2.201
  146   2HB   PRO  16          1HB       PRO  16  -7.908   2.880   1.730
  147   1HG   PRO  16          2HG       PRO  16  -8.959   0.150   2.409
  148   2HG   PRO  16          1HG       PRO  16  -9.578   1.741   2.897
  149   1HD   PRO  16          2HD       PRO  16 -10.654   0.315   0.754
  150   2HD   PRO  16          1HD       PRO  16 -10.674   2.050   0.842
  151    H    LYS  17           H        LYS  17  -5.282   1.291   0.793
  152    HA   LYS  17           HA       LYS  17  -3.757  -0.377   1.276
  153   1HB   LYS  17          2HB       LYS  17  -5.988  -2.090   0.383
  154   2HB   LYS  17          1HB       LYS  17  -4.377  -2.751   0.174
  155   1HG   LYS  17          2HG       LYS  17  -5.542  -3.307   2.332
  156   2HG   LYS  17          1HG       LYS  17  -3.917  -2.632   2.472
  157   1HD   LYS  17          2HD       LYS  17  -6.072  -0.642   2.466
  158   2HD   LYS  17          1HD       LYS  17  -6.097  -1.747   3.842
  159   1HE   LYS  17          2HE       LYS  17  -4.482  -0.566   4.799
  160   2HE   LYS  17          1HE       LYS  17  -3.410  -0.963   3.457
  161   1HZ   LYS  17          1HZ       LYS  17  -5.237   1.141   2.807
  162   2HZ   LYS  17          2HZ       LYS  17  -3.550   1.103   2.678
  163   3HZ   LYS  17          3HZ       LYS  17  -4.277   1.529   4.146
  164    H    GLY  18           H        GLY  18  -1.873  -0.459   0.292
  165   1HA   GLY  18          2HA       GLY  18  -1.015  -1.603  -1.927
  166   2HA   GLY  18          1HA       GLY  18  -1.811  -0.212  -2.629
  167    H    GLY  19           H        GLY  19   0.920  -1.238  -0.574
  168   1HA   GLY  19          2HA       GLY  19   2.859   0.281  -1.701
  169   2HA   GLY  19          1HA       GLY  19   2.081   1.443  -0.648
  170    H    ARG  20           H        ARG  20   4.807   0.781  -0.519
  171    HA   ARG  20           HA       ARG  20   6.060   0.869   1.499
  172   1HB   ARG  20          2HB       ARG  20   4.075   0.092   2.851
  173   2HB   ARG  20          1HB       ARG  20   4.529  -1.554   2.433
  174   1HG   ARG  20          2HG       ARG  20   6.775  -0.049   3.470
  175   2HG   ARG  20          1HG       ARG  20   5.422  -0.091   4.602
  176   1HD   ARG  20          2HD       ARG  20   5.437  -2.429   4.703
  177   2HD   ARG  20          1HD       ARG  20   6.409  -2.576   3.240
  178    HE   ARG  20           HE       ARG  20   7.782  -1.205   5.338
  179   1HH1  ARG  20          1HH1      ARG  20   6.933  -4.350   4.093
  180   2HH1  ARG  20          2HH1      ARG  20   8.262  -5.152   4.860
  181   1HH2  ARG  20          1HH2      ARG  20   9.528  -2.252   6.354
  182   2HH2  ARG  20          2HH2      ARG  20   9.736  -3.960   6.150
  183    H    MET  21           H        MET  21   7.612   0.433  -0.010
  184    HA   MET  21           HA       MET  21   8.350  -2.390  -0.347
  185   1HB   MET  21          2HB       MET  21  10.045  -1.172  -2.025
  186   2HB   MET  21          1HB       MET  21   8.428  -1.670  -2.497
  187   1HG   MET  21          2HG       MET  21   7.622   0.475  -2.519
  188   2HG   MET  21          1HG       MET  21   8.828   1.059  -1.377
  189   1HE   MET  21          1HE       MET  21  10.040   3.319  -3.111
  190   2HE   MET  21          2HE       MET  21  11.549   2.407  -3.159
  191   3HE   MET  21          3HE       MET  21  10.487   2.279  -1.757
  192    H    LEU  22           H        LEU  22   9.871   0.739   0.206
  193    HA   LEU  22           HA       LEU  22  11.699   1.400   1.407
  194   1HB   LEU  22          2HB       LEU  22  10.313   0.410   3.205
  195   2HB   LEU  22          1HB       LEU  22  11.180  -1.101   2.999
  196    HG   LEU  22           HG       LEU  22  12.836   1.301   3.526
  197   1HD1  LEU  22          1HD1      LEU  22  11.417   1.903   5.202
  198   2HD1  LEU  22          2HD1      LEU  22  12.353   0.674   6.054
  199   3HD1  LEU  22          3HD1      LEU  22  10.770   0.274   5.390
  200   1HD2  LEU  22          1HD2      LEU  22  13.709  -0.599   5.184
  201   2HD2  LEU  22          2HD2      LEU  22  14.176  -0.531   3.485
  202   3HD2  LEU  22          3HD2      LEU  22  12.890  -1.621   4.003
  203    HA   PRO  23           HA       PRO  23  14.885  -1.437  -0.353
  204   1HB   PRO  23          2HB       PRO  23  15.409  -0.175  -2.609
  205   2HB   PRO  23          1HB       PRO  23  13.870  -1.025  -2.418
  206   1HG   PRO  23          2HG       PRO  23  14.430   1.897  -2.371
  207   2HG   PRO  23          1HG       PRO  23  12.977   1.039  -2.912
  208   1HD   PRO  23          2HD       PRO  23  13.469   2.245  -0.341
  209   2HD   PRO  23          1HD       PRO  23  12.011   1.375  -0.876
  210    H    GLN  24           H        GLN  24  15.996  -0.342   1.687
  211    HA   GLN  24           HA       GLN  24  17.768   1.866   0.991
  212   1HB   GLN  24          2HB       GLN  24  16.513   1.727   3.176
  213   2HB   GLN  24          1HB       GLN  24  17.613   0.431   3.630
  214   1HG   GLN  24          2HG       GLN  24  18.659   3.084   2.743
  215   2HG   GLN  24          1HG       GLN  24  18.117   2.834   4.402
  216   1HE2  GLN  24          1HE2      GLN  24  19.023   0.598   5.265
  217   2HE2  GLN  24          2HE2      GLN  24  20.730   0.418   5.070
  218    H    LEU  25           H        LEU  25  17.981  -1.545   1.598
  219    HA   LEU  25           HA       LEU  25  20.394  -2.243   2.351
  220   1HB   LEU  25          2HB       LEU  25  18.553  -3.543   0.898
  221   2HB   LEU  25          1HB       LEU  25  19.818  -3.416  -0.296
  222    HG   LEU  25           HG       LEU  25  20.231  -5.476   0.687
  223   1HD1  LEU  25          1HD1      LEU  25  21.922  -3.592   2.323
  224   2HD1  LEU  25          2HD1      LEU  25  22.246  -4.047   0.650
  225   3HD1  LEU  25          3HD1      LEU  25  22.291  -5.269   1.920
  226   1HD2  LEU  25          1HD2      LEU  25  20.380  -5.484   3.332
  227   2HD2  LEU  25          2HD2      LEU  25  18.857  -5.736   2.479
  228   3HD2  LEU  25          3HD2      LEU  25  19.241  -4.150   3.147
  229    H    VAL  26           H        VAL  26  19.981  -1.624  -1.107
  230    HA   VAL  26           HA       VAL  26  22.445  -1.846  -2.015
  231    HB   VAL  26           HB       VAL  26  20.732   0.508  -2.787
  232   1HG1  VAL  26          1HG1      VAL  26  23.295  -0.216  -3.633
  233   2HG1  VAL  26          2HG1      VAL  26  22.202   0.939  -4.398
  234   3HG1  VAL  26          3HG1      VAL  26  22.208  -0.747  -4.917
  235   1HG2  VAL  26          1HG2      VAL  26  19.251  -1.154  -3.217
  236   2HG2  VAL  26          2HG2      VAL  26  20.503  -2.394  -3.310
  237   3HG2  VAL  26          3HG2      VAL  26  20.225  -1.315  -4.677
  238    H    CYS  27           H        CYS  27  21.585   1.568  -1.457
  239    HA   CYS  27           HA       CYS  27  24.099   2.542  -1.419
  240   1HB   CYS  27          2HB       CYS  27  21.710   3.678  -0.946
  241   2HB   CYS  27          1HB       CYS  27  22.406   3.752   0.673
  242    HG   CYS  27           HG       CYS  27  24.424   4.828  -1.228
  243    H    ARG  28           H        ARG  28  22.605   0.763   1.216
  244    HA   ARG  28           HA       ARG  28  24.333   1.434   3.297
  245   1HB   ARG  28          2HB       ARG  28  22.281  -0.245   3.175
  246   2HB   ARG  28          1HB       ARG  28  23.564  -1.431   2.992
  247   1HG   ARG  28          2HG       ARG  28  23.392   0.543   5.253
  248   2HG   ARG  28          1HG       ARG  28  22.828  -1.127   5.331
  249   1HD   ARG  28          2HD       ARG  28  24.897  -1.558   6.094
  250   2HD   ARG  28          1HD       ARG  28  25.357  -1.464   4.396
  251    HE   ARG  28           HE       ARG  28  25.434   1.107   5.536
  252   1HH1  ARG  28          1HH1      ARG  28  27.153  -1.937   5.608
  253   2HH1  ARG  28          2HH1      ARG  28  28.676  -1.210   5.995
  254   1HH2  ARG  28          1HH2      ARG  28  27.437   2.063   6.038
  255   2HH2  ARG  28          2HH2      ARG  28  28.837   1.063   6.240
  256    H    LEU  29           H        LEU  29  24.661  -1.669   1.578
  257    HA   LEU  29           HA       LEU  29  27.529  -1.590   2.084
  258   1HB   LEU  29          2HB       LEU  29  27.570  -3.892   1.747
  259   2HB   LEU  29          1HB       LEU  29  26.052  -3.592   2.559
  260    HG   LEU  29           HG       LEU  29  25.081  -4.875   1.026
  261   1HD1  LEU  29          1HD1      LEU  29  25.776  -3.257  -1.343
  262   2HD1  LEU  29          2HD1      LEU  29  24.882  -2.453  -0.057
  263   3HD1  LEU  29          3HD1      LEU  29  24.224  -3.900  -0.812
  264   1HD2  LEU  29          1HD2      LEU  29  27.437  -5.707   0.587
  265   2HD2  LEU  29          2HD2      LEU  29  27.403  -4.704  -0.864
  266   3HD2  LEU  29          3HD2      LEU  29  26.230  -6.005  -0.665
  267    H    VAL  30           H        VAL  30  25.643  -0.461  -0.299
  268    HA   VAL  30           HA       VAL  30  26.319  -1.278  -2.716
  269    HB   VAL  30           HB       VAL  30  24.907   0.693  -2.243
  270   1HG1  VAL  30          1HG1      VAL  30  26.689   1.856  -0.837
  271   2HG1  VAL  30          2HG1      VAL  30  25.825   2.870  -1.995
  272   3HG1  VAL  30          3HG1      VAL  30  27.453   2.308  -2.362
  273   1HG2  VAL  30          1HG2      VAL  30  25.069   1.462  -4.394
  274   2HG2  VAL  30          2HG2      VAL  30  25.990  -0.039  -4.519
  275   3HG2  VAL  30          3HG2      VAL  30  26.832   1.502  -4.362
  276    H    LEU  31           H        LEU  31  28.643   0.614  -0.791
  277    HA   LEU  31           HA       LEU  31  30.856  -0.459  -2.123
  278   1HB   LEU  31          2HB       LEU  31  29.764   0.923  -3.978
  279   2HB   LEU  31          1HB       LEU  31  30.267   2.337  -3.078
  280    HG   LEU  31           HG       LEU  31  31.732   1.519  -5.042
  281   1HD1  LEU  31          1HD1      LEU  31  33.282   1.870  -2.513
  282   2HD1  LEU  31          2HD1      LEU  31  32.274   3.178  -3.134
  283   3HD1  LEU  31          3HD1      LEU  31  33.588   2.533  -4.119
  284   1HD2  LEU  31          1HD2      LEU  31  31.730  -0.866  -4.166
  285   2HD2  LEU  31          2HD2      LEU  31  32.875  -0.304  -2.947
  286   3HD2  LEU  31          3HD2      LEU  31  33.287  -0.198  -4.659
  287    H    ARG  32           H        ARG  32  31.217  -0.381   0.257
  288    HA   ARG  32           HA       ARG  32  31.634   1.955   1.717
  289   1HB   ARG  32          2HB       ARG  32  31.748   0.097   3.079
  290   2HB   ARG  32          1HB       ARG  32  32.667  -0.837   1.910
  291   1HG   ARG  32          2HG       ARG  32  33.934  -0.289   3.964
  292   2HG   ARG  32          1HG       ARG  32  34.692   0.312   2.491
  293   1HD   ARG  32          2HD       ARG  32  32.969   2.349   3.413
  294   2HD   ARG  32          1HD       ARG  32  33.856   1.761   4.818
  295    HE   ARG  32           HE       ARG  32  34.883   3.358   2.717
  296   1HH1  ARG  32          1HH1      ARG  32  35.787   0.750   4.860
  297   2HH1  ARG  32          2HH1      ARG  32  37.477   1.120   4.794
  298   1HH2  ARG  32          1HH2      ARG  32  37.108   3.837   2.632
  299   2HH2  ARG  32          2HH2      ARG  32  38.227   2.869   3.534
  300    H    CYS  33           H        CYS  33  34.014   0.017  -0.062
  301    HA   CYS  33           HA       CYS  33  35.373   1.717  -1.561
  302   1HB   CYS  33          2HB       CYS  33  35.891   2.407   1.252
  303   2HB   CYS  33          1HB       CYS  33  37.330   2.240   0.269
  304    HG   CYS  33           HG       CYS  33  36.717   4.290  -1.043
  305    H    SER  34           H        SER  34  36.174  -0.156   1.274
  306    HA   SER  34           HA       SER  34  37.347  -2.253  -0.274
  307   1HB   SER  34          2HB       SER  34  39.134  -0.427  -0.071
  308   2HB   SER  34          1HB       SER  34  39.209  -0.859   1.637
  309    HG   SER  34           HG       SER  34  40.750  -2.024   0.466