*HEADER    DE NOVO PROTEIN                         22-OCT-18   6IMG              
*TITLE     SOLUTION STRUCTURE OF BICYCLIC PEPTIDE PB-13                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: (ACE)-GLY-CYS-PRO-CYS-ILE-TRP-PRO-GLU-LEU-CYS-PRO-TRP-ILE- 
*COMPND   3 ARG-SER-CYS-(NH2);                                                   
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE M13;                       
*SOURCE   4 ORGANISM_TAXID: 10870                                                
*KEYWDS    BICYCLIC PEPTIDE, CYSTINE BRIDGE, PROLINE RICH, DE NOVO PROTEIN       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    H.YAO,P.LIN,J.ZHA,M.ZHA,Y.ZHAO,C.WU                                   
*REVDAT   1   28-AUG-19 6IMG    0                                                
# Restraints file 1: pb13_noe_final.tbl
assign (resid    1 and name  HA2) (resid    1 and name  HA1) 2.50 0.70 0.30
assign (resid    2 and name  HB2) (resid    2 and name  HB1) 2.50 0.70 0.30
assign (resid    3 and name  HG1) (resid    3 and name  HG2) 2.50 0.70 0.30
assign (resid    3 and name  HB2) (resid    3 and name  HB1) 2.50 0.70 0.30
assign (resid   13 and name HG12) (resid   13 and name HG11) 2.50 0.70 0.30
assign (resid   12 and name  HB1) (resid   12 and name  HB2) 2.50 0.70 0.30
assign (resid    6 and name  HB1) (resid    6 and name  HB2) 2.50 0.70 0.30
assign (resid   11 and name  HG1) (resid   11 and name  HG2) 2.50 0.70 0.30
assign (resid    3 and name  HD2) (resid    3 and name  HD1) 2.50 0.70 0.30
assign (resid    9 and name  HB2) (resid    9 and name  HB1) 2.50 0.70 0.30
assign (resid   13 and name HG2#) (resid   13 and name HG11) 2.50 0.70 0.30
assign (resid    4 and name  HB2) (resid    4 and name  HB1) 2.50 0.70 0.30
assign (resid   11 and name  HB1) (resid   11 and name  HB2) 2.50 0.70 0.30
assign (resid    5 and name HG11) (resid    5 and name HG12) 2.50 0.70 0.30
assign (resid   12 and name  HH2) (resid   12 and name  HZ3) 2.50 0.70 0.30
assign (resid    6 and name   HA) (resid    7 and name  HD#) 2.50 0.70 0.30
assign (resid    6 and name  HH2) (resid    6 and name  HZ3) 2.50 0.70 0.30
assign (resid   16 and name  HB2) (resid   16 and name  HB1) 2.50 0.70 0.30
assign (resid    7 and name  HD#) (resid    7 and name  HG#) 2.50 0.70 0.30
assign (resid    7 and name  HB2) (resid    7 and name  HB1) 2.50 0.70 0.30
assign (resid   13 and name   HA) (resid   14 and name   HN) 2.50 0.70 0.30
assign (resid   15 and name   HA) (resid   15 and name  HB#) 2.50 0.70 0.30
assign (resid    4 and name   HA) (resid    5 and name   HN) 2.50 0.70 0.30
assign (resid    2 and name   HA) (resid    3 and name  HD2) 2.50 0.70 0.30
assign (resid    2 and name   HA) (resid    3 and name  HD1) 2.50 0.70 0.30
assign (resid    5 and name HG12) (resid    5 and name HD1#) 2.50 0.70 0.30
assign (resid    5 and name   HB) (resid    5 and name HG11) 2.50 0.70 0.30
assign (resid    9 and name HD1#) (resid    9 and name HD2#) 2.50 0.70 0.30
assign (resid   13 and name   HB) (resid   13 and name HG2#) 2.50 0.70 0.30
assign (resid   12 and name   HA) (resid   12 and name  HB2) 2.50 0.70 0.30
assign (resid   14 and name   HN) (resid   14 and name  HB#) 2.50 0.70 0.30
assign (resid    8 and name   HA) (resid    8 and name  HB2) 2.50 0.70 0.30
assign (resid    8 and name  HB2) (resid    8 and name  HG#) 2.50 0.70 0.30
assign (resid   14 and name   HA) (resid   14 and name  HB#) 2.50 0.70 0.30
assign (resid    8 and name  HB1) (resid    8 and name  HG#) 2.50 0.70 0.30
assign (resid   11 and name   HA) (resid   11 and name  HB1) 2.50 0.70 0.30
assign (resid    9 and name   HA) (resid    9 and name HD2#) 2.50 0.70 0.30
assign (resid    9 and name   HG) (resid    9 and name HD1#) 2.50 0.70 0.30
assign (resid    3 and name   HA) (resid    3 and name  HB1) 2.50 0.70 0.30
assign (resid   12 and name   HA) (resid   12 and name  HB1) 2.50 0.70 0.30
assign (resid   13 and name   HB) (resid   13 and name HG11) 2.50 0.70 0.30
assign (resid    3 and name   HA) (resid    3 and name  HB2) 2.50 0.70 0.30
assign (resid   10 and name   HA) (resid   11 and name  HD2) 2.50 0.70 0.30
assign (resid    3 and name  HB1) (resid    3 and name  HG2) 2.50 0.70 0.50
assign (resid    2 and name   HN) (resid    2 and name  HB2) 2.50 0.70 0.30
assign (resid   13 and name   HN) (resid   13 and name   HB) 2.50 0.70 0.30
assign (resid    7 and name   HA) (resid    7 and name  HB2) 2.50 0.70 0.30
assign (resid    6 and name  HE1) (resid    6 and name  HD1) 2.50 0.70 0.30
assign (resid    8 and name   HN) (resid    8 and name  HB1) 2.50 0.70 0.30
assign (resid    9 and name   HA) (resid    9 and name  HB1) 2.50 0.70 0.30
assign (resid    9 and name   HN) (resid   10 and name   HN) 2.50 0.70 0.30
assign (resid   15 and name   HN) (resid   16 and name   HN) 2.50 0.70 0.30
assign (resid   12 and name   HN) (resid   13 and name   HN) 2.50 0.70 0.30
assign (resid    8 and name   HA) (resid    8 and name  HB1) 2.50 0.70 0.30
assign (resid    7 and name   HA) (resid    7 and name  HB1) 2.50 0.70 0.30
assign (resid   11 and name  HB2) (resid   11 and name  HG2) 2.50 0.70 0.30
assign (resid   15 and name   HN) (resid   15 and name  HB#) 2.50 0.70 0.30
assign (resid    9 and name   HG) (resid    9 and name HD2#) 2.50 0.70 0.30
assign (resid   11 and name  HG1) (resid   11 and name  HB2) 2.50 0.70 0.30
assign (resid   16 and name   HN) (resid   16 and name  HB2) 2.50 0.70 0.30
assign (resid    9 and name   HN) (resid    9 and name  HB2) 2.50 0.70 0.30
assign (resid   13 and name   HA) (resid   13 and name HD1#) 2.50 0.70 0.30
assign (resid    9 and name  HB1) (resid    9 and name HD1#) 2.50 0.70 0.30
assign (resid   14 and name  HD#) (resid   14 and name   HE) 2.50 0.70 0.30
assign (resid   13 and name HG2#) (resid   15 and name   HN) 2.50 0.70 0.30
assign (resid   13 and name   HA) (resid   13 and name HG2#) 2.50 0.70 0.30
assign (resid   12 and name  HE3) (resid   12 and name  HZ3) 2.50 0.70 0.30
assign (resid    1 and name  HA2) (resid    2 and name   HN) 2.50 0.70 0.30
assign (resid    2 and name   HN) (resid    2 and name  HB1) 2.50 0.70 0.30
assign (resid   14 and name  HG1) (resid   14 and name  HD#) 2.50 0.70 0.30
assign (resid    2 and name  HB2) (resid   16 and name   HA) 2.50 0.70 0.30
assign (resid    6 and name  HB1) (resid    9 and name HD1#) 2.50 0.70 0.80
assign (resid    6 and name  HB2) (resid    9 and name HD1#) 2.50 0.70 0.80
assign (resid   10 and name  HB1) (resid   13 and name HG11) 2.50 0.70 0.30
assign (resid   16 and name   H1) (resid   16 and name   H2) 3.00 1.20 0.50
assign (resid    2 and name   HA) (resid    2 and name  HB1) 3.00 1.20 0.50
assign (resid    2 and name  HB1) (resid   16 and name   HA) 3.00 1.20 0.50
assign (resid    6 and name   HA) (resid    6 and name  HB2) 3.00 1.20 0.50
assign (resid   12 and name  HZ2) (resid   12 and name  HH2) 3.00 1.20 0.50
assign (resid   11 and name  HD2) (resid   11 and name  HD1) 3.00 1.20 0.50
assign (resid    7 and name  HB2) (resid   16 and name  HB1) 3.00 1.20 0.50
assign (resid    3 and name  HD2) (resid    3 and name  HG1) 3.00 1.20 0.50
assign (resid    1 and name  HA1) (resid    2 and name   HN) 3.00 1.20 0.50
assign (resid    5 and name HG2#) (resid    5 and name HD1#) 3.00 1.20 0.50
assign (resid    9 and name  HB2) (resid    9 and name   HG) 3.00 1.20 0.50
assign (resid   13 and name   HB) (resid   13 and name HG12) 3.00 1.20 0.50
assign (resid    4 and name   HA) (resid    4 and name  HB1) 3.00 1.20 0.50
assign (resid   11 and name   HA) (resid   11 and name  HB2) 3.00 1.20 0.50
assign (resid    5 and name   HN) (resid    5 and name   HB) 3.00 1.20 0.50
assign (resid   16 and name   HA) (resid   16 and name  HB1) 3.00 1.20 0.50
assign (resid    4 and name   HA) (resid    4 and name  HB2) 3.00 1.20 0.50
assign (resid   12 and name  HE1) (resid   12 and name  HD1) 3.00 1.20 0.50
assign (resid    5 and name   HB) (resid    5 and name HG2#) 3.00 1.20 0.50
assign (resid    6 and name  HZ2) (resid    6 and name  HH2) 3.00 1.20 0.50
assign (resid   13 and name HG2#) (resid   16 and name   HN) 3.00 1.20 0.50
assign (resid    9 and name   HN) (resid    9 and name   HG) 3.00 1.20 0.50
assign (resid    9 and name  HB1) (resid    9 and name HD2#) 3.00 1.20 0.50
assign (resid    5 and name   HB) (resid    5 and name HG12) 3.00 1.20 0.50
assign (resid   11 and name  HB1) (resid   11 and name  HG1) 3.00 1.20 0.50
assign (resid   11 and name  HB1) (resid   11 and name  HG2) 3.00 1.20 0.50
assign (resid    3 and name  HG1) (resid   13 and name HG2#) 3.00 1.20 1.00
assign (resid   12 and name   HN) (resid   12 and name   HA) 3.00 1.20 0.50
assign (resid    9 and name  HB2) (resid    9 and name HD1#) 3.00 1.20 0.50
assign (resid   16 and name   HN) (resid   16 and name   H1) 3.00 1.20 0.50
assign (resid   12 and name   HN) (resid   12 and name  HB2) 3.00 1.20 0.50
assign (resid    1 and name   HN) (resid    1 and name  HA1) 3.00 1.20 0.50
assign (resid    6 and name  HE3) (resid    6 and name  HZ3) 3.00 1.20 0.50
assign (resid    5 and name   HN) (resid    5 and name HG11) 3.00 1.20 0.50
assign (resid    6 and name   HA) (resid    6 and name  HB1) 3.00 1.20 0.50
assign (resid   15 and name   HN) (resid   15 and name   HA) 3.00 1.20 0.50
assign (resid   14 and name   HN) (resid   14 and name   HA) 3.00 1.20 0.50
assign (resid    8 and name   HN) (resid    8 and name  HG#) 3.00 1.20 0.50
assign (resid    2 and name   HA) (resid    2 and name  HB2) 3.00 1.20 0.50
assign (resid   16 and name   HA) (resid   16 and name  HB2) 3.00 1.20 0.50
assign (resid   13 and name   HN) (resid   13 and name HG12) 3.00 1.20 0.50
assign (resid    8 and name   HN) (resid    9 and name   HN) 3.00 1.20 0.50
assign (resid    8 and name   HN) (resid    8 and name   HA) 3.00 1.20 0.50
assign (resid    5 and name   HN) (resid    5 and name HG12) 3.00 1.20 0.50
assign (resid    4 and name   HN) (resid    4 and name  HB2) 3.00 1.20 0.50
assign (resid    8 and name   HA) (resid    8 and name  HG#) 3.00 1.20 0.50
assign (resid    3 and name  HD2) (resid    3 and name  HG2) 3.00 1.20 0.50
assign (resid    3 and name  HG2) (resid   13 and name HD1#) 3.00 1.20 0.50
assign (resid   14 and name  HB#) (resid   15 and name   HN) 3.00 1.20 0.50
assign (resid   10 and name  HB2) (resid   13 and name HG11) 3.00 1.20 0.50
assign (resid    8 and name   HN) (resid    8 and name  HB2) 3.00 1.20 0.50
assign (resid    9 and name   HA) (resid    9 and name  HB2) 3.00 1.20 0.50
assign (resid   14 and name  HB#) (resid   14 and name  HD#) 3.00 1.20 0.50
assign (resid   13 and name   HN) (resid   13 and name   HA) 3.00 1.20 0.50
assign (resid    3 and name  HD1) (resid   13 and name HG2#) 3.00 1.20 0.50
assign (resid   14 and name  HG2) (resid   14 and name  HD#) 3.00 1.20 0.50
assign (resid   13 and name   HB) (resid   16 and name  HB2) 3.00 1.20 0.50
assign (resid   10 and name   HN) (resid   10 and name  HB1) 3.00 1.20 4.00
assign (resid    5 and name HG2#) (resid    5 and name HG12) 3.00 1.20 0.50
assign (resid   14 and name   HA) (resid   14 and name  HG2) 3.00 1.20 1.00
assign (resid    6 and name   HN) (resid    6 and name  HB1) 3.00 1.20 1.00
assign (resid   10 and name   HA) (resid   11 and name  HD1) 3.00 1.20 0.50
assign (resid    3 and name  HD1) (resid    3 and name  HG2) 3.00 1.20 0.50
assign (resid   11 and name  HG2) (resid   12 and name   HN) 3.00 1.20 0.50
assign (resid   13 and name   HN) (resid   13 and name HG2#) 3.00 1.20 1.00
assign (resid    5 and name   HA) (resid    5 and name HG2#) 3.00 1.20 0.50
assign (resid   12 and name   HN) (resid   12 and name  HE3) 3.00 1.20 0.50
assign (resid    2 and name   HN) (resid    2 and name   HA) 3.00 1.20 0.50
assign (resid    0 and name  HA#) (resid    1 and name   HN) 3.00 1.20 0.50
assign (resid   14 and name   HN) (resid   15 and name   HN) 3.00 1.20 0.50
assign (resid    5 and name   HN) (resid    5 and name HG2#) 3.00 1.20 1.00
assign (resid    3 and name  HD2) (resid   13 and name HG2#) 3.00 1.20 0.50
assign (resid   13 and name HG2#) (resid   14 and name   HN) 3.00 1.20 0.50
assign (resid    1 and name   HN) (resid    1 and name  HA2) 3.00 1.20 0.50
assign (resid   12 and name   HN) (resid   12 and name  HB1) 3.00 1.20 0.50
assign (resid    7 and name  HB2) (resid   16 and name   HA) 3.00 1.20 0.50
assign (resid    7 and name  HB1) (resid   16 and name  HB1) 3.00 1.20 0.50
assign (resid   16 and name   HN) (resid   16 and name   HA) 3.00 1.20 0.50
assign (resid    9 and name   HN) (resid    9 and name   HA) 3.00 1.20 0.50
assign (resid    7 and name  HD#) (resid    8 and name   HN) 3.00 1.20 0.50
assign (resid   16 and name   HN) (resid   16 and name  HB1) 3.00 1.20 0.50
assign (resid    7 and name   HA) (resid   16 and name  HB1) 3.00 1.20 0.50
assign (resid    5 and name   HN) (resid    5 and name   HA) 3.00 1.20 0.50
assign (resid    2 and name   HA) (resid   13 and name HG2#) 3.00 1.20 1.00
assign (resid    9 and name   HN) (resid    9 and name  HB1) 3.00 1.20 1.00
assign (resid    6 and name  HB2) (resid    9 and name   HG) 3.00 1.20 0.50
assign (resid    4 and name  HB1) (resid    6 and name   HN) 3.00 1.20 0.50
assign (resid   12 and name   HA) (resid   13 and name   HN) 3.00 1.20 0.50
assign (resid   11 and name  HD1) (resid   11 and name  HG1) 3.00 1.20 0.50
assign (resid    5 and name   HA) (resid    5 and name   HB) 3.00 1.20 0.50
assign (resid   10 and name  HB2) (resid   16 and name  HB1) 3.00 1.20 0.50
assign (resid    3 and name  HG2) (resid   13 and name HG2#) 3.00 1.20 1.00
assign (resid    4 and name   HN) (resid    4 and name   HA) 3.00 1.20 0.50
assign (resid    7 and name  HD#) (resid    7 and name  HB2) 3.00 1.20 0.50
assign (resid    7 and name  HB1) (resid   16 and name   HA) 3.00 1.20 0.50
assign (resid    5 and name HG11) (resid    5 and name HD1#) 3.00 1.20 0.50
assign (resid    4 and name   HN) (resid    4 and name  HB1) 3.00 1.20 0.50
assign (resid   12 and name  HB2) (resid   12 and name  HD1) 3.00 1.20 0.50
assign (resid   13 and name   HA) (resid   13 and name HG12) 3.00 1.20 0.50
assign (resid    5 and name   HN) (resid    6 and name   HN) 3.00 1.20 0.50
assign (resid    7 and name   HA) (resid   10 and name   HN) 3.00 1.20 0.50
assign (resid    9 and name   HA) (resid    9 and name   HG) 3.00 1.20 0.50
assign (resid    4 and name  HB1) (resid    5 and name   HN) 3.00 1.20 0.50
assign (resid   14 and name   HA) (resid   15 and name   HN) 3.00 1.20 0.50
assign (resid   14 and name   HN) (resid   14 and name  HG1) 3.00 1.20 0.50
assign (resid    5 and name   HB) (resid    5 and name HD1#) 3.00 1.20 0.50
assign (resid    6 and name  HB1) (resid    9 and name   HN) 3.00 1.20 0.50
assign (resid    5 and name   HA) (resid    5 and name HG12) 3.00 1.20 0.50
assign (resid   10 and name   HN) (resid   11 and name  HD1) 3.00 1.20 0.50
assign (resid    9 and name   HA) (resid   11 and name  HD1) 3.00 1.20 0.50
assign (resid   14 and name   HE) (resid   14 and name HH1#) 3.00 1.20 0.50
assign (resid    3 and name  HD1) (resid    4 and name   HN) 3.00 1.20 1.00
assign (resid   11 and name  HD2) (resid   12 and name   HN) 3.00 1.20 0.50
assign (resid   13 and name   HA) (resid   13 and name   HB) 3.00 1.20 0.50
assign (resid    2 and name   HN) (resid   15 and name  HB#) 3.00 1.20 1.00
assign (resid   14 and name   HE) (resid   14 and name HH2#) 3.00 1.20 0.50
assign (resid    6 and name  HB2) (resid    9 and name   HN) 3.00 1.20 0.50
assign (resid   13 and name   HB) (resid   16 and name  HB1) 3.00 1.20 1.00
assign (resid    3 and name  HD1) (resid    3 and name  HG1) 3.00 1.20 0.50
assign (resid    9 and name  HB2) (resid    9 and name HD2#) 3.00 1.20 0.50
assign (resid   10 and name   HN) (resid   10 and name   HA) 3.00 1.20 0.50
assign (resid   10 and name   HN) (resid   10 and name  HB2) 3.00 1.20 0.50
assign (resid    6 and name   HA) (resid    7 and name  HG#) 3.00 1.20 1.00
assign (resid    6 and name  HB1) (resid    7 and name  HD#) 3.00 1.20 1.00
assign (resid   10 and name  HB1) (resid   13 and name   HB) 3.00 1.20 0.50
assign (resid    5 and name HG2#) (resid    5 and name HG11) 3.00 1.20 0.50
assign (resid   14 and name  HG1) (resid   14 and name   HE) 3.00 1.20 0.50
assign (resid    3 and name  HD2) (resid   13 and name HD1#) 3.00 1.20 0.50
assign (resid   15 and name   HA) (resid   16 and name   HN) 3.00 1.20 0.50
assign (resid    5 and name   HA) (resid    5 and name HG11) 3.00 1.20 0.50
assign (resid    6 and name  HB1) (resid    6 and name  HE3) 3.00 1.20 0.50
assign (resid    6 and name  HB2) (resid    7 and name  HD#) 3.00 1.20 1.50
assign (resid    2 and name  HB2) (resid   15 and name  HB#) 3.00 1.20 1.00
assign (resid   14 and name   HN) (resid   14 and name  HG2) 3.00 1.20 0.50
assign (resid    5 and name   HB) (resid    6 and name   HN) 3.00 1.20 0.50
assign (resid    6 and name  HB2) (resid    9 and name  HB2) 3.00 1.20 0.50
assign (resid    6 and name  HE1) (resid    6 and name  HZ2) 3.00 1.20 0.50
assign (resid   12 and name  HD1) (resid   13 and name HD1#) 3.00 1.20 0.50
assign (resid   14 and name  HB#) (resid   14 and name   HE) 3.00 1.20 0.50
assign (resid   11 and name   HA) (resid   11 and name  HD1) 3.00 1.20 0.50
assign (resid    6 and name   HN) (resid    6 and name   HA) 3.00 1.20 0.50
assign (resid    3 and name   HA) (resid    4 and name   HN) 3.00 1.20 0.50
assign (resid    3 and name  HD1) (resid    3 and name  HB1) 3.00 1.20 0.50
assign (resid    6 and name   HN) (resid    6 and name  HB2) 3.00 1.20 0.50
assign (resid   10 and name   HA) (resid   10 and name  HB1) 3.00 1.20 0.50
assign (resid    9 and name   HA) (resid   10 and name   HN) 3.00 1.20 0.50
assign (resid   14 and name  HG2) (resid   14 and name   HE) 3.00 1.20 0.50
assign (resid   11 and name  HG2) (resid   12 and name  HE3) 3.00 1.20 0.50
assign (resid    3 and name  HD1) (resid   13 and name HD1#) 3.00 1.20 1.50
assign (resid   12 and name  HE1) (resid   12 and name  HZ2) 3.00 1.20 0.50
assign (resid    5 and name HG2#) (resid    6 and name   HN) 3.00 1.20 0.50
assign (resid    6 and name   HA) (resid    6 and name  HE3) 3.00 1.20 0.50
assign (resid   12 and name  HB1) (resid   12 and name  HE3) 3.00 1.20 0.50
assign (resid    6 and name  HB2) (resid    6 and name  HD1) 3.00 1.20 0.50
assign (resid    5 and name   HB) (resid    6 and name  HD1) 3.00 1.20 0.50
assign (resid    6 and name  HE3) (resid    7 and name  HD#) 3.00 1.20 1.00
assign (resid    2 and name   HA) (resid   15 and name  HB#) 3.00 1.20 0.50
assign (resid   11 and name  HD2) (resid   12 and name  HZ3) 3.00 1.20 0.50
assign (resid    6 and name  HB1) (resid    6 and name  HD1) 4.00 2.20 0.50
assign (resid   13 and name   HN) (resid   13 and name HG11) 4.00 2.20 0.50
assign (resid    4 and name  HB1) (resid    7 and name   HA) 4.00 2.20 0.50
assign (resid    7 and name   HA) (resid   16 and name  HB2) 4.00 2.20 0.50
assign (resid   12 and name   HA) (resid   12 and name  HE3) 4.00 2.20 0.50
assign (resid   12 and name  HB2) (resid   12 and name  HE3) 4.00 2.20 0.50
assign (resid   10 and name  HB2) (resid   13 and name HG12) 4.00 2.20 0.50
assign (resid   14 and name   HA) (resid   16 and name   HN) 4.00 2.20 0.50
assign (resid    6 and name  HB2) (resid    6 and name  HE3) 4.00 2.20 0.50
assign (resid   10 and name  HB1) (resid   16 and name  HB1) 4.00 2.20 0.50
assign (resid    6 and name   HA) (resid    6 and name  HD1) 4.00 2.20 0.50
assign (resid    2 and name  HB2) (resid    7 and name  HB1) 4.00 2.20 0.60
assign (resid   12 and name  HB1) (resid   12 and name  HD1) 4.00 2.20 0.50
assign (resid   11 and name   HA) (resid   12 and name   HN) 4.00 2.20 0.50
assign (resid   13 and name   HA) (resid   14 and name  HB#) 4.00 2.20 0.50
assign (resid   15 and name  HB#) (resid   16 and name   HN) 4.00 2.20 0.50
assign (resid   12 and name  HB1) (resid   13 and name   HN) 4.00 2.20 0.50
assign (resid    9 and name   HA) (resid   11 and name  HD2) 4.00 2.20 0.50
assign (resid    6 and name  HB1) (resid    9 and name  HB2) 4.00 2.20 0.50
assign (resid    8 and name   HA) (resid    9 and name   HN) 4.00 2.20 0.50
assign (resid    3 and name   HA) (resid    3 and name  HG2) 4.00 2.20 0.50
assign (resid    5 and name HG2#) (resid    6 and name  HD1) 4.00 2.20 0.50
assign (resid   11 and name  HD1) (resid   11 and name  HB1) 4.00 2.20 0.50
assign (resid   11 and name  HD2) (resid   12 and name  HE3) 4.00 2.20 0.50
assign (resid   11 and name   HA) (resid   11 and name  HD2) 4.00 2.20 0.50
assign (resid    4 and name  HB2) (resid    5 and name   HN) 4.00 2.20 0.50
assign (resid    2 and name   HA) (resid   16 and name   HA) 4.00 2.20 1.00
assign (resid    5 and name   HA) (resid    5 and name HD1#) 4.00 2.20 0.50
assign (resid   11 and name   HA) (resid   13 and name   HN) 4.00 2.20 0.50
assign (resid    2 and name  HB1) (resid   15 and name  HB#) 4.00 2.20 1.00
assign (resid   11 and name   HA) (resid   11 and name  HG1) 4.00 2.20 0.50
assign (resid   11 and name  HD1) (resid   11 and name  HG2) 4.00 2.20 0.50
assign (resid    8 and name  HB1) (resid    9 and name   HN) 4.00 2.20 0.50
assign (resid    2 and name   HA) (resid    3 and name  HG1) 4.00 2.20 0.50
assign (resid    9 and name  HB2) (resid   10 and name   HN) 4.00 2.20 0.50
assign (resid   13 and name   HB) (resid   16 and name   HN) 4.00 2.20 0.50
assign (resid    9 and name   HN) (resid    9 and name HD2#) 4.00 2.20 0.50
assign (resid    3 and name  HG2) (resid    4 and name   HN) 4.00 2.20 0.50
assign (resid    2 and name  HB1) (resid    7 and name  HB1) 4.00 2.20 0.50
assign (resid    8 and name  HG#) (resid    9 and name   HG) 4.00 2.20 0.50
assign (resid   11 and name  HD2) (resid   11 and name  HB2) 4.00 2.20 0.50
assign (resid    8 and name  HG#) (resid    9 and name HD2#) 4.00 2.20 0.50
assign (resid    1 and name   HN) (resid    2 and name   HN) 4.00 2.20 0.50
assign (resid   16 and name   HA) (resid   16 and name   H1) 4.00 2.20 0.50
assign (resid   14 and name   HA) (resid   14 and name  HG1) 4.00 2.20 0.50
assign (resid   13 and name HD1#) (resid   14 and name   HN) 4.00 2.20 0.50
assign (resid    6 and name  HB2) (resid    8 and name   HN) 4.00 2.20 0.50
assign (resid   10 and name   HA) (resid   11 and name  HG2) 4.00 2.20 0.50
assign (resid   12 and name  HZ2) (resid   12 and name  HZ3) 4.00 2.20 0.50
assign (resid   10 and name   HA) (resid   13 and name HG11) 4.00 2.20 0.50
assign (resid    5 and name HG2#) (resid    6 and name  HE1) 4.00 2.20 0.50
assign (resid   12 and name  HE1) (resid   13 and name HD1#) 4.00 2.20 0.50
assign (resid   11 and name  HG2) (resid   12 and name  HZ3) 4.00 2.20 0.50
assign (resid    2 and name  HB2) (resid    3 and name  HD2) 4.00 2.20 0.50
assign (resid    6 and name  HE3) (resid    9 and name HD1#) 4.00 2.20 0.50
assign (resid    8 and name  HG#) (resid    9 and name   HN) 4.00 2.20 0.50
assign (resid   12 and name  HD1) (resid   13 and name HG12) 4.00 2.20 0.50
assign (resid    3 and name   HA) (resid    3 and name  HD2) 4.00 2.20 0.50
assign (resid    5 and name HG11) (resid    6 and name   HN) 4.00 2.20 0.50
assign (resid   13 and name HG2#) (resid   16 and name  HB2) 4.00 2.20 0.50
assign (resid   14 and name   HN) (resid   14 and name  HD#) 4.00 2.20 0.50
assign (resid    6 and name  HB2) (resid    9 and name HD2#) 4.00 2.20 0.50
assign (resid    8 and name  HB2) (resid    9 and name   HN) 4.00 2.20 0.50
assign (resid    2 and name   HA) (resid    3 and name  HG2) 4.00 2.20 0.50
assign (resid    5 and name   HN) (resid    5 and name HD1#) 4.00 2.20 0.50
assign (resid    2 and name  HB1) (resid    3 and name  HD2) 4.00 2.20 1.00
assign (resid   11 and name   HA) (resid   11 and name  HG2) 4.00 2.20 0.50
assign (resid   11 and name  HD2) (resid   11 and name  HG2) 4.00 2.20 0.50
assign (resid   11 and name  HD2) (resid   11 and name  HG1) 4.00 2.20 0.50
assign (resid    6 and name   HA) (resid    8 and name   HN) 4.00 2.20 0.50
assign (resid   13 and name   HA) (resid   14 and name   HA) 4.00 2.20 0.50
assign (resid    6 and name  HE3) (resid    6 and name  HH2) 4.00 2.20 0.50
assign (resid    3 and name  HD2) (resid    4 and name   HN) 4.00 2.20 0.50
assign (resid   11 and name  HB2) (resid   12 and name   HN) 4.00 2.20 0.50
assign (resid    4 and name   HA) (resid    5 and name HG11) 4.00 2.20 0.50
assign (resid    8 and name   HA) (resid   10 and name   HN) 4.00 2.20 0.50
assign (resid   11 and name  HG1) (resid   12 and name   HN) 4.00 2.20 0.50
assign (resid   13 and name   HN) (resid   16 and name   HN) 4.00 2.20 1.00
assign (resid   10 and name   HA) (resid   11 and name  HG1) 4.00 2.20 1.00
assign (resid   16 and name   HN) (resid   16 and name   H2) 4.00 2.20 0.50
assign (resid    6 and name  HB2) (resid    9 and name  HB1) 4.00 2.20 0.50
assign (resid    7 and name  HB2) (resid    8 and name   HN) 4.00 2.20 0.50
assign (resid   14 and name  HD#) (resid   14 and name HH2#) 4.00 2.20 0.50
assign (resid   11 and name   HA) (resid   12 and name   HA) 4.00 2.20 1.00
assign (resid    3 and name  HG1) (resid   13 and name HD1#) 4.00 2.20 0.50
assign (resid   14 and name   HA) (resid   16 and name   H1) 4.00 2.20 0.50
assign (resid    7 and name   HA) (resid    8 and name   HN) 4.00 2.20 0.50
assign (resid   10 and name   HN) (resid   11 and name  HD2) 4.00 2.20 0.50
assign (resid    2 and name  HB2) (resid   16 and name  HB1) 4.00 2.20 1.00
assign (resid   14 and name  HB#) (resid   15 and name   HA) 4.00 2.20 0.50
assign (resid    2 and name   HA) (resid    4 and name   HN) 4.00 2.20 0.50
assign (resid    3 and name   HA) (resid    3 and name  HD1) 4.00 2.20 0.50
assign (resid    3 and name  HB2) (resid    4 and name   HN) 4.00 2.20 0.50
assign (resid   12 and name   HN) (resid   13 and name HD1#) 4.00 2.20 1.00
assign (resid    6 and name  HZ2) (resid    6 and name  HZ3) 4.00 2.20 0.50
assign (resid    7 and name  HB2) (resid    8 and name   HA) 4.00 2.20 0.50
assign (resid    9 and name   HA) (resid    9 and name HD1#) 4.00 2.20 0.50
assign (resid    8 and name  HB2) (resid    9 and name HD2#) 4.00 2.20 0.50
assign (resid    6 and name   HN) (resid    7 and name  HD#) 4.00 2.20 0.50
assign (resid   10 and name  HB1) (resid   13 and name HG12) 4.00 2.20 0.50
assign (resid    6 and name  HB1) (resid    8 and name   HN) 4.00 2.20 0.50
assign (resid   13 and name HG2#) (resid   16 and name   H1) 4.00 2.20 1.00
assign (resid   11 and name  HD1) (resid   11 and name  HB2) 4.00 2.20 0.50
assign (resid   13 and name   HN) (resid   14 and name   HA) 4.00 2.20 1.00
assign (resid   16 and name  HB2) (resid   13 and name HG11) 4.00 2.20 0.50
assign (resid    5 and name HD1#) (resid    6 and name  HD1) 4.00 2.20 0.50
assign (resid   15 and name  HB#) (resid   16 and name   HA) 4.00 2.20 0.50
assign (resid   16 and name   HA) (resid   16 and name   H2) 4.00 2.20 0.50
assign (resid    7 and name  HD#) (resid    8 and name  HG#) 4.00 2.20 0.50
assign (resid   12 and name   HN) (resid   13 and name HG12) 4.00 2.20 0.50
assign (resid    5 and name HD1#) (resid    6 and name  HE1) 4.00 2.20 0.50
assign (resid    9 and name   HA) (resid   10 and name   HA) 4.00 2.20 0.50
assign (resid    3 and name  HD2) (resid   13 and name   HB) 4.00 2.20 0.50
assign (resid   12 and name   HA) (resid   12 and name  HD1) 4.00 2.20 0.50
assign (resid    7 and name   HA) (resid   16 and name   HA) 4.00 2.20 0.50
assign (resid    6 and name  HB2) (resid    8 and name  HG#) 4.00 2.20 0.50
assign (resid   11 and name  HB2) (resid   11 and name  HD2) 4.00 2.20 0.50
assign (resid    2 and name  HB1) (resid   16 and name  HB1) 4.00 2.20 1.00
assign (resid   14 and name  HG1) (resid   15 and name   HA) 4.00 2.20 0.50
assign (resid   14 and name  HG1) (resid   15 and name  HB#) 4.00 2.20 0.50
assign (resid   11 and name  HB2) (resid   12 and name   HA) 4.00 2.20 0.50
assign (resid   13 and name HG2#) (resid   14 and name   HA) 4.00 2.20 0.50
assign (resid   10 and name  HB1) (resid   13 and name HG2#) 4.00 2.20 0.50
assign (resid   11 and name  HG1) (resid   12 and name  HE3) 4.00 2.20 0.50
assign (resid   11 and name  HB1) (resid   12 and name   HN) 4.00 2.20 0.50
assign (resid   13 and name   HN) (resid   14 and name   HN) 4.00 2.20 0.50
assign (resid   14 and name  HG1) (resid   15 and name   HN) 4.00 2.20 0.50
assign (resid   14 and name  HD#) (resid   14 and name HH1#) 4.00 2.20 0.50
assign (resid    8 and name   HN) (resid    9 and name   HG) 4.00 2.20 0.50
assign (resid    4 and name   HA) (resid    6 and name   HN) 4.00 2.20 0.50
assign (resid   15 and name   HA) (resid   16 and name   H1) 4.00 2.20 0.50
assign (resid   16 and name  HB2) (resid   16 and name   H1) 4.00 2.20 0.50
assign (resid   13 and name   HB) (resid   15 and name  HB#) 4.00 2.20 0.50
assign (resid    9 and name  HB1) (resid   10 and name   HN) 4.00 2.20 0.50
assign (resid    5 and name HG2#) (resid    6 and name   HA) 4.00 2.20 0.50
assign (resid    5 and name HG2#) (resid    6 and name  HZ2) 4.00 2.20 0.50
assign (resid    5 and name HG2#) (resid    6 and name  HB1) 4.00 2.20 1.00
assign (resid   14 and name  HD#) (resid   15 and name   HN) 4.00 2.20 0.50
assign (resid   13 and name   HA) (resid   15 and name   HN) 4.00 2.20 0.50
assign (resid   12 and name  HE3) (resid   12 and name  HH2) 4.00 2.20 0.50
assign (resid   14 and name   HN) (resid   16 and name   HN) 4.00 2.20 0.50
assign (resid    2 and name  HB1) (resid    4 and name   HN) 4.00 2.20 0.50
assign (resid   14 and name  HG2) (resid   15 and name   HN) 4.00 2.20 0.50
assign (resid    8 and name   HN) (resid   10 and name   HN) 4.00 2.20 0.50
assign (resid   14 and name   HA) (resid   16 and name   H2) 4.00 2.20 0.50
assign (resid    6 and name  HB1) (resid    9 and name HD2#) 4.00 2.20 0.50
assign (resid   10 and name   HA) (resid   13 and name HG12) 4.00 2.20 0.50
assign (resid   12 and name  HE1) (resid   13 and name HG12) 4.00 2.20 0.50
assign (resid   14 and name   HA) (resid   14 and name   HE) 4.00 2.20 0.50
assign (resid   14 and name  HD#) (resid   15 and name   HA) 4.00 2.20 1.00
assign (resid    6 and name   HA) (resid    9 and name HD1#) 4.00 2.20 1.00
assign (resid   15 and name   HN) (resid   16 and name   H1) 4.00 2.20 0.50
assign (resid    4 and name   HA) (resid    5 and name HD1#) 4.00 2.20 1.00
assign (resid   10 and name  HB2) (resid   13 and name   HB) 4.00 2.20 0.50
assign (resid   14 and name  HD#) (resid   14 and name   HA) 4.00 2.20 1.00
assign (resid    4 and name  HB2) (resid    7 and name   HA) 4.00 2.20 0.50
assign (resid    7 and name  HB2) (resid   16 and name  HB2) 4.00 2.20 0.50
assign (resid   16 and name  HB2) (resid   13 and name   HN) 4.00 2.20 0.50
assign (resid    2 and name  HB1) (resid   16 and name   HN) 5.00 2.00 0.50
assign (resid   14 and name   HA) (resid   15 and name   HA) 5.00 2.00 0.50
assign (resid    2 and name   HA) (resid    3 and name   HA) 5.00 2.00 0.50
assign (resid    2 and name   HN) (resid   16 and name   HA) 5.00 2.00 0.50
assign (resid    4 and name   HA) (resid    5 and name HG12) 5.00 2.00 0.50
assign (resid    2 and name   HN) (resid    3 and name  HD2) 5.00 2.00 0.50
assign (resid    2 and name   HA) (resid   13 and name HD1#) 5.00 2.00 1.00
assign (resid   11 and name  HD1) (resid   12 and name   HN) 5.00 2.00 0.50
assign (resid   15 and name   HA) (resid   16 and name   HA) 5.00 2.00 0.50
assign (resid   11 and name  HD2) (resid   12 and name  HD1) 5.00 2.00 0.50
assign (resid    5 and name   HA) (resid    6 and name   HA) 5.00 2.00 0.50
assign (resid   12 and name  HD1) (resid   13 and name   HA) 5.00 2.00 0.50
assign (resid    8 and name   HA) (resid    9 and name   HA) 5.00 2.00 0.50
assign (resid   13 and name   HB) (resid   14 and name   HN) 5.00 2.00 0.50
assign (resid    2 and name   HA) (resid   15 and name   HA) 5.00 2.00 0.50
assign (resid    8 and name  HG#) (resid    9 and name HD1#) 5.00 2.00 0.50
assign (resid   10 and name   HN) (resid   11 and name   HA) 5.00 2.00 0.50
assign (resid   13 and name   HN) (resid   15 and name   HN) 5.00 2.00 0.50
assign (resid   14 and name   HN) (resid   15 and name  HB#) 5.00 2.00 0.50
assign (resid    5 and name HD1#) (resid    6 and name  HZ2) 5.00 2.00 1.00
assign (resid    6 and name  HE3) (resid    9 and name HD2#) 5.00 2.00 1.00
assign (resid   15 and name  HB#) (resid   16 and name   H1) 5.00 2.00 0.50
assign (resid    9 and name HD2#) (resid   10 and name   HN) 5.00 2.00 0.50
assign (resid   13 and name HD1#) (resid   15 and name   HN) 5.00 2.00 0.50
assign (resid   11 and name  HD2) (resid   11 and name  HB1) 5.00 2.00 0.50
assign (resid    2 and name   HA) (resid   16 and name   HN) 5.00 2.00 0.50
assign (resid    8 and name   HN) (resid    9 and name  HB2) 5.00 2.00 0.50
assign (resid   13 and name HG2#) (resid   16 and name   HA) 5.00 2.00 0.50
assign (resid   13 and name HG2#) (resid   15 and name   HA) 5.00 2.00 0.50
assign (resid   11 and name   HA) (resid   16 and name  HB1) 5.00 2.00 0.50
assign (resid    4 and name  HB1) (resid   13 and name HG11) 5.00 2.00 0.50
assign (resid    7 and name  HB2) (resid   16 and name   HN) 5.00 2.00 1.00
assign (resid    6 and name   HA) (resid    7 and name  HB2) 5.00 2.00 0.50
assign (resid    2 and name   HA) (resid    3 and name  HB1) 5.00 2.00 0.50
assign (resid    4 and name  HB1) (resid    5 and name HG11) 5.00 2.00 0.50
assign (resid   16 and name  HB2) (resid   16 and name   H2) 5.00 2.00 0.50
assign (resid   15 and name   HN) (resid   16 and name  HB2) 5.00 2.00 0.50
assign (resid    4 and name  HB1) (resid    9 and name  HB2) 5.00 2.00 0.50
assign (resid   12 and name   HA) (resid   13 and name   HA) 5.00 2.00 0.50
assign (resid   13 and name HG12) (resid   14 and name   HN) 5.00 2.00 0.50
assign (resid    6 and name   HA) (resid    9 and name   HG) 5.00 2.00 0.50
assign (resid    5 and name HG2#) (resid    6 and name  HE3) 5.00 2.00 0.50
assign (resid   10 and name   HA) (resid   12 and name  HE1) 5.00 2.00 0.50
assign (resid    2 and name  HB1) (resid   13 and name HG2#) 5.00 2.00 0.50
assign (resid    6 and name  HE1) (resid    9 and name HD1#) 5.00 2.00 0.50
assign (resid    6 and name  HB1) (resid    6 and name  HE1) 5.00 2.00 0.50
assign (resid    6 and name  HB2) (resid    6 and name  HE1) 5.00 2.00 0.50
assign (resid   12 and name  HB2) (resid   12 and name  HE1) 5.00 2.00 0.50
assign (resid   12 and name   HN) (resid   12 and name  HE1) 5.00 2.00 0.50
assign (resid   12 and name  HE1) (resid   12 and name  HH2) 5.00 2.00 0.50
assign (resid    2 and name   HN) (resid   16 and name   HN) 5.00 2.00 1.00
assign (resid    4 and name   HN) (resid    5 and name   HN) 5.00 2.00 0.50
assign (resid    6 and name  HE3) (resid    6 and name  HZ2) 5.00 2.00 0.50
assign (resid    6 and name   HA) (resid    9 and name   HN) 5.00 2.00 0.50
assign (resid    5 and name   HN) (resid    6 and name   HA) 5.00 2.00 0.50
assign (resid    8 and name   HN) (resid    9 and name   HA) 5.00 2.00 0.50
assign (resid   15 and name   HN) (resid   16 and name   HA) 5.00 2.00 0.50
assign (resid    2 and name   HA) (resid   15 and name   HN) 5.00 2.00 0.50
assign (resid   10 and name   HA) (resid   12 and name  HZ2) 5.00 2.00 0.50
assign (resid   12 and name   HN) (resid   13 and name   HA) 5.00 2.00 0.50
assign (resid    3 and name  HD2) (resid   15 and name   HN) 5.00 2.00 0.50
assign (resid   10 and name   HN) (resid   16 and name  HB2) 5.00 2.00 0.50
assign (resid   11 and name  HD2) (resid   12 and name  HH2) 5.00 2.00 0.50
assign (resid    7 and name  HB2) (resid   16 and name   H1) 5.00 2.00 0.50
assign (resid    6 and name  HD1) (resid    9 and name  HB2) 5.00 2.00 0.50
assign (resid   14 and name  HB#) (resid   16 and name   H1) 5.00 2.00 0.50
assign (resid   11 and name  HB2) (resid   13 and name   HN) 5.00 2.00 0.50
assign (resid   10 and name   HN) (resid   11 and name  HB1) 5.00 2.00 0.50
assign (resid   11 and name  HB2) (resid   12 and name  HE3) 5.00 2.00 0.50
assign (resid    6 and name  HE3) (resid    9 and name   HG) 5.00 2.00 0.50
assign (resid    5 and name HG12) (resid    6 and name   HN) 5.00 2.00 0.50
assign (resid    6 and name   HN) (resid    9 and name HD1#) 5.00 2.00 1.00
assign (resid    9 and name HD1#) (resid   10 and name   HN) 5.00 2.00 0.50
assign (resid    2 and name   HN) (resid   13 and name HG2#) 5.00 2.00 0.50
assign (resid    8 and name   HN) (resid    9 and name HD2#) 5.00 2.00 0.50
assign (resid    8 and name   HN) (resid    9 and name HD1#) 5.00 2.00 0.50
assign (resid    6 and name  HB2) (resid    9 and name   HA) 5.00 2.00 0.50
assign (resid    8 and name  HG#) (resid    9 and name   HA) 5.00 2.00 0.50
assign (resid    2 and name  HB2) (resid   15 and name   HA) 5.00 2.00 0.50
assign (resid    4 and name   HA) (resid    5 and name HG2#) 5.00 2.00 0.50
assign (resid    5 and name HG2#) (resid    7 and name  HD#) 5.00 2.00 0.50
assign (resid   12 and name   HA) (resid   13 and name HG2#) 5.00 2.00 1.00
assign (resid    3 and name   HA) (resid   13 and name HG2#) 5.00 2.00 1.00
assign (resid    7 and name  HD#) (resid    9 and name HD1#) 5.00 2.00 0.50
assign (resid    8 and name   HA) (resid    9 and name HD2#) 5.00 2.00 0.50
assign (resid    7 and name   HA) (resid   13 and name HG11) 5.00 2.00 0.50
assign (resid    4 and name   HA) (resid    5 and name   HB) 5.00 2.00 0.50
assign (resid    3 and name  HG2) (resid    4 and name   HA) 5.00 2.00 0.50
assign (resid   13 and name   HB) (resid   16 and name   HA) 5.00 2.00 0.50
assign (resid    3 and name  HB2) (resid    4 and name   HA) 5.00 2.00 0.50
assign (resid    8 and name  HB2) (resid    9 and name   HA) 5.00 2.00 0.50
assign (resid   13 and name   HA) (resid   14 and name  HG2) 5.00 2.00 0.50
assign (resid   14 and name  HG2) (resid   15 and name   HA) 5.00 2.00 0.50
assign (resid    5 and name HG2#) (resid    6 and name  HB2) 5.00 2.00 0.50
assign (resid    4 and name  HB1) (resid    5 and name HG2#) 5.00 2.00 1.00
assign (resid    0 and name  HA#) (resid    2 and name   HN) 5.00 2.00 1.00
assign (resid   14 and name   HN) (resid   14 and name   HE) 5.00 2.00 0.50
assign (resid    2 and name   HA) (resid   13 and name   HB) 5.00 2.00 0.50
assign (resid    4 and name  HB1) (resid    5 and name   HB) 5.00 2.00 0.50
assign (resid   10 and name   HA) (resid   11 and name   HA) 5.00 2.00 0.50
assign (resid    9 and name HD2#) (resid   11 and name  HD1) 5.00 2.00 0.50
assign (resid   10 and name   HN) (resid    4 and name  HB1) 5.00 2.00 0.50
assign (resid    7 and name  HB1) (resid   16 and name  HB2) 5.00 2.00 0.50
assign (resid   15 and name   HN) (resid   13 and name   HB) 5.00 2.00 0.50
assign (resid   10 and name   HN) (resid    9 and name   HG) 5.00 2.00 0.50
assign (resid    9 and name  HB2) (resid     6 and name  HN) 5.00 2.00 0.50
assign (resid    9 and name HD1#) (resid    4 and name  HB1) 5.00 2.00 1.00
assign (resid   12 and name  HB2) (resid   13 and name   HA) 5.00 2.00 0.50
# Restraints file 2: pb13_talosn.tbl
! generated by convertToTalos
! Xplor-NIH version 2.46
! date: 2018/07/02 17:24:18

! PHI restraints
assign
  ( resid 1 and name C )
  ( resid 2 and name N )
  ( resid 2 and name CA)
  ( resid 2 and name C )
  1.0 -68.90 22.90 2
assign
  ( resid 3 and name C )
  ( resid 4 and name N )
  ( resid 4 and name CA)
  ( resid 4 and name C )
  1.0 -104.90 55.60 2
assign
  ( resid 4 and name C )
  ( resid 5 and name N )
  ( resid 5 and name CA)
  ( resid 5 and name C )
  1.0 -71.75 20.75 2
assign
  ( resid 5 and name C )
  ( resid 6 and name N )
  ( resid 6 and name CA)
  ( resid 6 and name C )
  1.0 -110.30 38.20 2
assign
  ( resid 6 and name C )
  ( resid 7 and name N )
  ( resid 7 and name CA)
  ( resid 7 and name C )
  1.0 -56.50 20.00 2
assign
  ( resid 7 and name C )
  ( resid 8 and name N )
  ( resid 8 and name CA)
  ( resid 8 and name C )
  1.0 -73.10 20.00 2
assign
  ( resid 8 and name C )
  ( resid 9 and name N )
  ( resid 9 and name CA)
  ( resid 9 and name C )
  1.0 -89.50 20.30 2
assign
  ( resid 9 and name C )
  ( resid 10 and name N )
  ( resid 10 and name CA)
  ( resid 10 and name C )
  1.0 -103.70 52.00 2
assign
  ( resid 10 and name C )
  ( resid 11 and name N )
  ( resid 11 and name CA)
  ( resid 11 and name C )
  1.0 -62.10 20.00 2
assign
  ( resid 12 and name C )
  ( resid 13 and name N )
  ( resid 13 and name CA)
  ( resid 13 and name C )
  1.0 -82.85 40.65 2
assign
  ( resid 13 and name C )
  ( resid 14 and name N )
  ( resid 14 and name CA)
  ( resid 14 and name C )
  1.0 -63.15 20.00 2
assign
  ( resid 14 and name C )
  ( resid 15 and name N )
  ( resid 15 and name CA)
  ( resid 15 and name C )
  1.0 -66.25 20.00 2

! PSI restraints
assign
  ( resid 2 and name N )
  ( resid 2 and name CA)
  ( resid 2 and name C )
  ( resid 3 and name N )
  1.0 140.20 25.80 2
assign
  ( resid 4 and name N )
  ( resid 4 and name CA)
  ( resid 4 and name C )
  ( resid 5 and name N )
  1.0 135.50 30.60 2
assign
  ( resid 5 and name N )
  ( resid 5 and name CA)
  ( resid 5 and name C )
  ( resid 6 and name N )
  1.0 -33.70 28.80 2
assign
  ( resid 6 and name N )
  ( resid 6 and name CA)
  ( resid 6 and name C )
  ( resid 7 and name N )
  1.0 105.60 44.00 2
assign
  ( resid 7 and name N )
  ( resid 7 and name CA)
  ( resid 7 and name C )
  ( resid 8 and name N )
  1.0 -30.40 20.00 2
assign
  ( resid 8 and name N )
  ( resid 8 and name CA)
  ( resid 8 and name C )
  ( resid 9 and name N )
  1.0 -17.35 20.75 2
assign
  ( resid 9 and name N )
  ( resid 9 and name CA)
  ( resid 9 and name C )
  ( resid 10 and name N )
  1.0 -17.00 28.00 2
!assign
!  ( resid 10 and name N )
!  ( resid 10 and name CA)
!  ( resid 10 and name C )
!  ( resid 11 and name N )
!  1.0 118.75 33.75 2
assign
  ( resid 11 and name N )
  ( resid 11 and name CA)
  ( resid 11 and name C )
  ( resid 12 and name N )
  1.0 -26.80 22.80 2
assign
  ( resid 13 and name N )
  ( resid 13 and name CA)
  ( resid 13 and name C )
  ( resid 14 and name N )
  1.0 126.65 33.25 2
assign
  ( resid 14 and name N )
  ( resid 14 and name CA)
  ( resid 14 and name C )
  ( resid 15 and name N )
  1.0 -36.30 20.60 2
assign
  ( resid 15 and name N )
  ( resid 15 and name CA)
  ( resid 15 and name C )
  ( resid 16 and name N )
  1.0 -24.95 20.00 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           H1       ACE   0  -7.077   8.534  -5.053
    2    H2   ACE   1           H2       ACE   0  -7.425   7.538  -6.465
    3    H3   ACE   1           H3       ACE   0  -6.503   9.030  -6.645
    4    H    GLY   2           H1       GLY   1  -4.804   8.742  -4.405
    5    HA2  GLY   2           HA2      GLY   1  -2.850   6.914  -5.496
    6    HA3  GLY   2           HA3      GLY   1  -2.632   7.976  -4.107
    7    H    CYS   3           H        CYS   2  -1.548   5.648  -3.701
    8    HA   CYS   3           HA       CYS   2  -3.170   3.525  -2.853
    9    HB2  CYS   3           HB2      CYS   2  -0.719   3.382  -3.309
   10    HB3  CYS   3           HB3      CYS   2  -0.439   4.223  -1.782
   11    HA   PRO   4           HA       PRO   3  -4.785   5.346   0.876
   12    HB2  PRO   4           HB2      PRO   3  -5.949   3.079   1.874
   13    HB3  PRO   4           HB3      PRO   3  -6.649   4.036   0.554
   14    HG2  PRO   4           HG2      PRO   3  -5.097   1.499   0.438
   15    HG3  PRO   4           HG3      PRO   3  -6.500   2.013  -0.517
   16    HD2  PRO   4           HD2      PRO   3  -3.932   2.101  -1.469
   17    HD3  PRO   4           HD3      PRO   3  -5.216   3.205  -2.015
   18    H    CYS   5           H        CYS   4  -2.628   2.612   0.769
   19    HA   CYS   5           HA       CYS   4  -2.193   2.486   3.622
   20    HB2  CYS   5           HB2      CYS   4  -1.148   1.090   1.215
   21    HB3  CYS   5           HB3      CYS   4  -0.096   1.137   2.633
   22    H    ILE   6           H        ILE   5  -0.778   3.634   4.788
   23    HA   ILE   6           HA       ILE   5   0.634   5.832   3.715
   24    HB   ILE   6           HB       ILE   5   0.936   4.367   6.346
   25   HG12  ILE   6          HG12      ILE   5  -0.329   7.047   5.710
   26   HG13  ILE   6          HG13      ILE   5  -1.247   5.542   5.801
   27   HG21  ILE   6          HG21      ILE   5   2.139   6.970   5.361
   28   HG22  ILE   6          HG22      ILE   5   3.011   5.531   5.889
   29   HG23  ILE   6          HG23      ILE   5   2.099   6.486   7.056
   30   HD11  ILE   6          HD11      ILE   5  -1.201   6.913   7.944
   31   HD12  ILE   6          HD12      ILE   5   0.517   6.532   8.056
   32   HD13  ILE   6          HD13      ILE   5  -0.678   5.237   8.112
   33    H    TRP   7           H        TRP   6   1.687   2.589   4.701
   34    HA   TRP   7           HA       TRP   6   4.277   3.095   3.401
   35    HB2  TRP   7           HB2      TRP   6   3.561   1.001   5.448
   36    HB3  TRP   7           HB3      TRP   6   5.159   1.254   4.742
   37    HD1  TRP   7           HD1      TRP   6   2.634   2.867   7.113
   38    HE1  TRP   7           HE1      TRP   6   3.841   4.674   8.500
   39    HE3  TRP   7           HE3      TRP   6   7.177   2.883   4.782
   40    HZ2  TRP   7           HZ2      TRP   6   6.395   5.957   8.606
   41    HZ3  TRP   7           HZ3      TRP   6   8.977   4.406   5.544
   42    HH2  TRP   7           HH2      TRP   6   8.592   5.943   7.452
   43    HA   PRO   8           HA       PRO   7   2.475   0.323   0.344
   44    HB2  PRO   8           HB2      PRO   7   4.494   0.554  -1.473
   45    HB3  PRO   8           HB3      PRO   7   3.249   1.800  -1.259
   46    HG2  PRO   8           HG2      PRO   7   6.039   1.707  -0.201
   47    HG3  PRO   8           HG3      PRO   7   5.140   3.068  -0.897
   48    HD2  PRO   8           HD2      PRO   7   5.445   2.737   1.787
   49    HD3  PRO   8           HD3      PRO   7   4.007   3.509   1.081
   50    H    GLU   9           H        GLU   8   5.574   0.129   1.870
   51    HA   GLU   9           HA       GLU   8   6.349  -2.428   0.853
   52    HB2  GLU   9           HB2      GLU   8   8.112  -2.330   2.467
   53    HB3  GLU   9           HB3      GLU   8   7.890  -0.687   1.870
   54    HG2  GLU   9           HG2      GLU   8   6.337  -0.302   3.845
   55    HG3  GLU   9           HG3      GLU   8   6.895  -1.850   4.478
   56    H    LEU  10           H        LEU   9   4.146  -1.348   3.261
   57    HA   LEU  10           HA       LEU   9   4.072  -3.997   4.541
   58    HB2  LEU  10           HB2      LEU   9   2.703  -1.414   5.342
   59    HB3  LEU  10           HB3      LEU   9   2.730  -2.913   6.274
   60    HG   LEU  10           HG       LEU   9   5.174  -1.304   5.494
   61   HD11  LEU  10          HD11      LEU   9   3.724  -0.220   7.211
   62   HD12  LEU  10          HD12      LEU   9   5.297  -0.699   7.850
   63   HD13  LEU  10          HD13      LEU   9   3.867  -1.671   8.201
   64   HD21  LEU  10          HD21      LEU   9   6.228  -2.876   7.219
   65   HD22  LEU  10          HD22      LEU   9   5.791  -3.609   5.676
   66   HD23  LEU  10          HD23      LEU   9   4.759  -3.842   7.088
   67    H    CYS  11           H        CYS  10   2.618  -2.341   2.044
   68    HA   CYS  11           HA       CYS  10   0.184  -3.997   2.270
   69    HB2  CYS  11           HB2      CYS  10   0.427  -1.139   1.313
   70    HB3  CYS  11           HB3      CYS  10  -0.991  -2.142   1.035
   71    HA   PRO  12           HA       PRO  11   2.527  -4.779  -1.691
   72    HB2  PRO  12           HB2      PRO  11   2.591  -7.501  -1.418
   73    HB3  PRO  12           HB3      PRO  11   3.840  -6.421  -0.767
   74    HG2  PRO  12           HG2      PRO  11   1.559  -7.736   0.625
   75    HG3  PRO  12           HG3      PRO  11   3.226  -7.479   1.176
   76    HD2  PRO  12           HD2      PRO  11   1.138  -5.896   1.989
   77    HD3  PRO  12           HD3      PRO  11   2.809  -5.300   1.861
   78    H    TRP  13           H        TRP  12  -0.400  -5.924  -0.243
   79    HA   TRP  13           HA       TRP  12  -1.410  -7.190  -2.647
   80    HB2  TRP  13           HB2      TRP  12  -3.572  -7.232  -1.256
   81    HB3  TRP  13           HB3      TRP  12  -2.209  -8.186  -0.668
   82    HD1  TRP  13           HD1      TRP  12  -4.011  -4.856  -0.038
   83    HE1  TRP  13           HE1      TRP  12  -3.498  -4.089   2.368
   84    HE3  TRP  13           HE3      TRP  12  -0.608  -8.413   1.305
   85    HZ2  TRP  13           HZ2      TRP  12  -1.857  -4.883   4.572
   86    HZ3  TRP  13           HZ3      TRP  12   0.415  -8.385   3.562
   87    HH2  TRP  13           HH2      TRP  12  -0.204  -6.625   5.196
   88    H    ILE  14           H        ILE  13  -0.857  -4.073  -1.968
   89    HA   ILE  14           HA       ILE  13  -3.343  -3.113  -3.240
   90    HB   ILE  14           HB       ILE  13  -1.237  -1.524  -1.767
   91   HG12  ILE  14          HG12      ILE  13  -2.499  -3.153  -0.338
   92   HG13  ILE  14          HG13      ILE  13  -2.780  -1.473   0.098
   93   HG21  ILE  14          HG21      ILE  13  -3.168   0.153  -1.734
   94   HG22  ILE  14          HG22      ILE  13  -3.946  -0.873  -2.939
   95   HG23  ILE  14          HG23      ILE  13  -2.401  -0.108  -3.299
   96   HD11  ILE  14          HD11      ILE  13  -4.595  -3.054  -1.746
   97   HD12  ILE  14          HD12      ILE  13  -4.895  -1.452  -1.081
   98   HD13  ILE  14          HD13      ILE  13  -4.883  -2.860  -0.025
   99    H    ARG  15           H        ARG  14  -3.179  -2.876  -5.366
  100    HA   ARG  15           HA       ARG  14  -0.770  -2.874  -6.815
  101    HB2  ARG  15           HB2      ARG  14  -2.124  -2.267  -8.740
  102    HB3  ARG  15           HB3      ARG  14  -2.995  -3.452  -7.766
  103    HG2  ARG  15           HG2      ARG  14  -4.215  -1.567  -6.656
  104    HG3  ARG  15           HG3      ARG  14  -3.424  -0.452  -7.768
  105    HD2  ARG  15           HD2      ARG  14  -5.622  -1.009  -8.645
  106    HD3  ARG  15           HD3      ARG  14  -4.390  -1.726  -9.679
  107    HE   ARG  15           HE       ARG  14  -5.183  -3.579  -7.674
  108   HH11  ARG  15          HH11      ARG  14  -6.247  -2.034 -10.591
  109   HH12  ARG  15          HH12      ARG  14  -7.277  -3.337 -11.064
  110   HH21  ARG  15          HH21      ARG  14  -6.536  -5.294  -8.300
  111   HH22  ARG  15          HH22      ARG  14  -7.443  -5.183  -9.771
  112    H    SER  16           H        SER  15  -2.680  -0.263  -5.454
  113    HA   SER  16           HA       SER  15  -1.471   1.887  -6.833
  114    HB2  SER  16           HB2      SER  15  -2.773   1.769  -4.108
  115    HB3  SER  16           HB3      SER  15  -2.293   3.260  -4.910
  116    HG   SER  16           HG       SER  15  -4.085   3.122  -5.979
  117    H    CYS  17           H        CYS  16  -0.586   0.127  -3.908
  118    HA   CYS  17           HA       CYS  16   1.622   1.919  -3.315
  119    HB2  CYS  17           HB2      CYS  16   0.404  -0.479  -2.045
  120    HB3  CYS  17           HB3      CYS  16   2.079  -0.126  -1.672
  121    HN1  NH2  18           HN1      NH2 102   1.155  -0.906  -5.271
  122    HN2  NH2  18           HN2      NH2 102   2.803  -1.239  -5.542
  Start of MODEL    2
    1    H1   ACE   1           H1       ACE   0  -6.176   9.198  -6.818
    2    H2   ACE   1           H2       ACE   0  -5.613  10.759  -6.222
    3    H3   ACE   1           H3       ACE   0  -6.367   9.612  -5.115
    4    H    GLY   2           H1       GLY   1  -5.163   7.916  -4.280
    5    HA2  GLY   2           HA2      GLY   1  -2.551   7.231  -5.252
    6    HA3  GLY   2           HA3      GLY   1  -2.476   8.214  -3.793
    7    H    CYS   3           H        CYS   2  -1.388   5.827  -3.522
    8    HA   CYS   3           HA       CYS   2  -3.048   3.669  -2.934
    9    HB2  CYS   3           HB2      CYS   2  -0.596   3.515  -3.246
   10    HB3  CYS   3           HB3      CYS   2  -0.376   4.278  -1.671
   11    HA   PRO   4           HA       PRO   3  -4.920   5.186   0.853
   12    HB2  PRO   4           HB2      PRO   3  -5.927   2.770   1.726
   13    HB3  PRO   4           HB3      PRO   3  -6.706   3.795   0.504
   14    HG2  PRO   4           HG2      PRO   3  -5.053   1.350   0.157
   15    HG3  PRO   4           HG3      PRO   3  -6.464   1.907  -0.759
   16    HD2  PRO   4           HD2      PRO   3  -3.909   2.135  -1.665
   17    HD3  PRO   4           HD3      PRO   3  -5.213   3.249  -2.129
   18    H    CYS   5           H        CYS   4  -2.634   2.565   0.711
   19    HA   CYS   5           HA       CYS   4  -2.216   2.460   3.576
   20    HB2  CYS   5           HB2      CYS   4  -1.227   1.004   1.197
   21    HB3  CYS   5           HB3      CYS   4  -0.106   1.120   2.556
   22    H    ILE   6           H        ILE   5  -0.807   3.633   4.721
   23    HA   ILE   6           HA       ILE   5   0.588   5.818   3.598
   24    HB   ILE   6           HB       ILE   5   0.884   4.426   6.273
   25   HG12  ILE   6          HG12      ILE   5  -0.409   7.070   5.550
   26   HG13  ILE   6          HG13      ILE   5  -1.306   5.556   5.683
   27   HG21  ILE   6          HG21      ILE   5   2.021   6.573   6.938
   28   HG22  ILE   6          HG22      ILE   5   2.056   7.025   5.234
   29   HG23  ILE   6          HG23      ILE   5   2.950   5.609   5.790
   30   HD11  ILE   6          HD11      ILE   5   0.278   6.927   7.876
   31   HD12  ILE   6          HD12      ILE   5  -0.424   5.317   8.028
   32   HD13  ILE   6          HD13      ILE   5  -1.472   6.718   7.807
   33    H    TRP   7           H        TRP   6   1.662   2.605   4.698
   34    HA   TRP   7           HA       TRP   6   4.280   3.138   3.472
   35    HB2  TRP   7           HB2      TRP   6   3.513   1.012   5.475
   36    HB3  TRP   7           HB3      TRP   6   5.127   1.282   4.813
   37    HD1  TRP   7           HD1      TRP   6   2.550   2.823   7.146
   38    HE1  TRP   7           HE1      TRP   6   3.681   4.672   8.540
   39    HE3  TRP   7           HE3      TRP   6   7.096   3.008   4.837
   40    HZ2  TRP   7           HZ2      TRP   6   6.186   6.049   8.660
   41    HZ3  TRP   7           HZ3      TRP   6   8.835   4.598   5.606
   42    HH2  TRP   7           HH2      TRP   6   8.386   6.117   7.515
   43    HA   PRO   8           HA       PRO   7   2.534   0.336   0.342
   44    HB2  PRO   8           HB2      PRO   7   4.587   0.608  -1.463
   45    HB3  PRO   8           HB3      PRO   7   3.275   1.789  -1.293
   46    HG2  PRO   8           HG2      PRO   7   6.050   1.869  -0.210
   47    HG3  PRO   8           HG3      PRO   7   5.068   3.171  -0.901
   48    HD2  PRO   8           HD2      PRO   7   5.421   2.836   1.768
   49    HD3  PRO   8           HD3      PRO   7   3.954   3.555   1.073
   50    H    GLU   9           H        GLU   8   5.624   0.139   1.890
   51    HA   GLU   9           HA       GLU   8   6.378  -2.413   0.848
   52    HB2  GLU   9           HB2      GLU   8   8.134  -2.351   2.477
   53    HB3  GLU   9           HB3      GLU   8   7.951  -0.716   1.844
   54    HG2  GLU   9           HG2      GLU   8   6.426  -0.240   3.813
   55    HG3  GLU   9           HG3      GLU   8   6.912  -1.803   4.465
   56    H    LEU  10           H        LEU   9   4.172  -1.362   3.280
   57    HA   LEU  10           HA       LEU   9   4.115  -4.034   4.517
   58    HB2  LEU  10           HB2      LEU   9   2.742  -1.476   5.390
   59    HB3  LEU  10           HB3      LEU   9   2.812  -2.988   6.296
   60    HG   LEU  10           HG       LEU   9   5.202  -1.305   5.498
   61   HD11  LEU  10          HD11      LEU   9   3.868  -0.246   7.257
   62   HD12  LEU  10          HD12      LEU   9   5.382  -0.860   7.922
   63   HD13  LEU  10          HD13      LEU   9   3.879  -1.745   8.187
   64   HD21  LEU  10          HD21      LEU   9   4.913  -3.884   7.057
   65   HD22  LEU  10          HD22      LEU   9   6.364  -2.886   7.126
   66   HD23  LEU  10          HD23      LEU   9   5.865  -3.612   5.598
   67    H    CYS  11           H        CYS  10   2.647  -2.388   2.026
   68    HA   CYS  11           HA       CYS  10   0.206  -4.021   2.284
   69    HB2  CYS  11           HB2      CYS  10   0.455  -1.159   1.343
   70    HB3  CYS  11           HB3      CYS  10  -0.981  -2.150   1.090
   71    HA   PRO  12           HA       PRO  11   2.485  -4.770  -1.719
   72    HB2  PRO  12           HB2      PRO  11   2.577  -7.489  -1.480
   73    HB3  PRO  12           HB3      PRO  11   3.826  -6.405  -0.832
   74    HG2  PRO  12           HG2      PRO  11   1.574  -7.753   0.573
   75    HG3  PRO  12           HG3      PRO  11   3.243  -7.483   1.106
   76    HD2  PRO  12           HD2      PRO  11   1.141  -5.935   1.947
   77    HD3  PRO  12           HD3      PRO  11   2.809  -5.331   1.829
   78    H    TRP  13           H        TRP  12  -0.395  -5.911  -0.229
   79    HA   TRP  13           HA       TRP  12  -1.483  -7.168  -2.597
   80    HB2  TRP  13           HB2      TRP  12  -3.619  -7.175  -1.176
   81    HB3  TRP  13           HB3      TRP  12  -2.262  -8.145  -0.608
   82    HD1  TRP  13           HD1      TRP  12  -4.022  -4.807   0.057
   83    HE1  TRP  13           HE1      TRP  12  -3.447  -4.035   2.443
   84    HE3  TRP  13           HE3      TRP  12  -0.637  -8.396   1.338
   85    HZ2  TRP  13           HZ2      TRP  12  -1.784  -4.849   4.624
   86    HZ3  TRP  13           HZ3      TRP  12   0.425  -8.383   3.580
   87    HH2  TRP  13           HH2      TRP  12  -0.145  -6.615   5.221
   88    H    ILE  14           H        ILE  13  -0.888  -4.031  -1.951
   89    HA   ILE  14           HA       ILE  13  -3.379  -3.070  -3.203
   90    HB   ILE  14           HB       ILE  13  -1.251  -1.498  -1.735
   91   HG12  ILE  14          HG12      ILE  13  -2.508  -3.087  -0.286
   92   HG13  ILE  14          HG13      ILE  13  -2.786  -1.399   0.132
   93   HG21  ILE  14          HG21      ILE  13  -3.140   0.208  -1.695
   94   HG22  ILE  14          HG22      ILE  13  -3.950  -0.805  -2.889
   95   HG23  ILE  14          HG23      ILE  13  -2.391  -0.074  -3.265
   96   HD11  ILE  14          HD11      ILE  13  -4.925  -1.410  -1.053
   97   HD12  ILE  14          HD12      ILE  13  -4.896  -2.765   0.073
   98   HD13  ILE  14          HD13      ILE  13  -4.629  -3.045  -1.644
   99    H    ARG  15           H        ARG  14  -3.222  -2.861  -5.317
  100    HA   ARG  15           HA       ARG  14  -0.839  -2.881  -6.795
  101    HB2  ARG  15           HB2      ARG  14  -2.208  -2.265  -8.701
  102    HB3  ARG  15           HB3      ARG  14  -3.091  -3.422  -7.704
  103    HG2  ARG  15           HG2      ARG  14  -4.229  -1.477  -6.585
  104    HG3  ARG  15           HG3      ARG  14  -3.458  -0.417  -7.762
  105    HD2  ARG  15           HD2      ARG  14  -5.663  -0.926  -8.582
  106    HD3  ARG  15           HD3      ARG  14  -4.504  -1.797  -9.582
  107    HE   ARG  15           HE       ARG  14  -5.317  -3.453  -7.444
  108   HH11  ARG  15          HH11      ARG  14  -6.488  -2.009 -10.395
  109   HH12  ARG  15          HH12      ARG  14  -7.635  -3.268 -10.703
  110   HH21  ARG  15          HH21      ARG  14  -6.844  -5.093  -7.866
  111   HH22  ARG  15          HH22      ARG  14  -7.837  -5.002  -9.283
  112    H    SER  16           H        SER  15  -2.678  -0.236  -5.419
  113    HA   SER  16           HA       SER  15  -1.448   1.886  -6.822
  114    HB2  SER  16           HB2      SER  15  -2.730   1.806  -4.087
  115    HB3  SER  16           HB3      SER  15  -2.225   3.282  -4.900
  116    HG   SER  16           HG       SER  15  -3.755   2.988  -6.407
  117    H    CYS  17           H        CYS  16  -0.585   0.154  -3.867
  118    HA   CYS  17           HA       CYS  16   1.669   1.897  -3.301
  119    HB2  CYS  17           HB2      CYS  16   0.415  -0.485  -2.033
  120    HB3  CYS  17           HB3      CYS  16   2.093  -0.129  -1.643
  121    HN1  NH2  18           HN1      NH2 102   1.146  -1.118  -5.044
  122    HN2  NH2  18           HN2      NH2 102   2.785  -1.397  -5.405
  Start of MODEL    3
    1    H1   ACE   1           H1       ACE   0  -6.643   9.103  -5.864
    2    H2   ACE   1           H2       ACE   0  -6.422   8.068  -7.275
    3    H3   ACE   1           H3       ACE   0  -5.919   9.758  -7.332
    4    H    GLY   2           H1       GLY   1  -5.426   7.412  -4.716
    5    HA2  GLY   2           HA2      GLY   1  -2.648   6.984  -5.365
    6    HA3  GLY   2           HA3      GLY   1  -2.879   8.072  -3.996
    7    H    CYS   3           H        CYS   2  -1.545   5.713  -3.623
    8    HA   CYS   3           HA       CYS   2  -3.156   3.539  -2.871
    9    HB2  CYS   3           HB2      CYS   2  -0.721   3.368  -3.281
   10    HB3  CYS   3           HB3      CYS   2  -0.438   4.255  -1.779
   11    HA   PRO   4           HA       PRO   3  -4.833   5.286   0.915
   12    HB2  PRO   4           HB2      PRO   3  -5.969   3.021   1.936
   13    HB3  PRO   4           HB3      PRO   3  -6.677   3.939   0.591
   14    HG2  PRO   4           HG2      PRO   3  -5.035   1.450   0.525
   15    HG3  PRO   4           HG3      PRO   3  -6.487   1.871  -0.405
   16    HD2  PRO   4           HD2      PRO   3  -3.979   2.053  -1.452
   17    HD3  PRO   4           HD3      PRO   3  -5.302   3.136  -1.944
   18    H    CYS   5           H        CYS   4  -2.613   2.612   0.787
   19    HA   CYS   5           HA       CYS   4  -2.134   2.512   3.640
   20    HB2  CYS   5           HB2      CYS   4  -1.019   1.135   1.234
   21    HB3  CYS   5           HB3      CYS   4  -0.083   1.128   2.730
   22    H    ILE   6           H        ILE   5  -0.720   3.671   4.765
   23    HA   ILE   6           HA       ILE   5   0.675   5.860   3.649
   24    HB   ILE   6           HB       ILE   5   1.005   4.424   6.293
   25   HG12  ILE   6          HG12      ILE   5  -0.269   7.096   5.651
   26   HG13  ILE   6          HG13      ILE   5  -1.187   5.592   5.745
   27   HG21  ILE   6          HG21      ILE   5   3.070   5.588   5.812
   28   HG22  ILE   6          HG22      ILE   5   2.158   6.570   6.959
   29   HG23  ILE   6          HG23      ILE   5   2.194   7.013   5.253
   30   HD11  ILE   6          HD11      ILE   5   0.582   6.586   7.991
   31   HD12  ILE   6          HD12      ILE   5  -0.597   5.277   8.052
   32   HD13  ILE   6          HD13      ILE   5  -1.141   6.947   7.891
   33    H    TRP   7           H        TRP   6   1.732   2.633   4.690
   34    HA   TRP   7           HA       TRP   6   4.320   3.136   3.386
   35    HB2  TRP   7           HB2      TRP   6   3.584   1.060   5.442
   36    HB3  TRP   7           HB3      TRP   6   5.188   1.282   4.737
   37    HD1  TRP   7           HD1      TRP   6   2.711   2.871   7.142
   38    HE1  TRP   7           HE1      TRP   6   3.895   4.747   8.452
   39    HE3  TRP   7           HE3      TRP   6   7.158   3.022   4.638
   40    HZ2  TRP   7           HZ2      TRP   6   6.398   6.131   8.441
   41    HZ3  TRP   7           HZ3      TRP   6   8.924   4.633   5.305
   42    HH2  TRP   7           HH2      TRP   6   8.548   6.186   7.202
   43    HA   PRO   8           HA       PRO   7   2.487   0.289   0.350
   44    HB2  PRO   8           HB2      PRO   7   4.481   0.498  -1.517
   45    HB3  PRO   8           HB3      PRO   7   3.205   1.710  -1.324
   46    HG2  PRO   8           HG2      PRO   7   6.010   1.746  -0.323
   47    HG3  PRO   8           HG3      PRO   7   5.043   3.050  -1.036
   48    HD2  PRO   8           HD2      PRO   7   5.429   2.817   1.649
   49    HD3  PRO   8           HD3      PRO   7   3.953   3.518   0.949
   50    H    GLU   9           H        GLU   8   5.592   0.113   1.869
   51    HA   GLU   9           HA       GLU   8   6.324  -2.477   0.899
   52    HB2  GLU   9           HB2      GLU   8   8.079  -2.373   2.524
   53    HB3  GLU   9           HB3      GLU   8   7.889  -0.747   1.874
   54    HG2  GLU   9           HG2      GLU   8   6.369  -0.236   3.822
   55    HG3  GLU   9           HG3      GLU   8   6.826  -1.797   4.502
   56    H    LEU  10           H        LEU   9   4.099  -1.325   3.261
   57    HA   LEU  10           HA       LEU   9   3.987  -3.937   4.611
   58    HB2  LEU  10           HB2      LEU   9   2.616  -1.321   5.296
   59    HB3  LEU  10           HB3      LEU   9   2.618  -2.786   6.283
   60    HG   LEU  10           HG       LEU   9   5.084  -1.211   5.487
   61   HD11  LEU  10          HD11      LEU   9   3.817  -1.490   8.223
   62   HD12  LEU  10          HD12      LEU   9   3.538  -0.111   7.161
   63   HD13  LEU  10          HD13      LEU   9   5.160  -0.443   7.766
   64   HD21  LEU  10          HD21      LEU   9   5.698  -3.508   5.773
   65   HD22  LEU  10          HD22      LEU   9   4.649  -3.684   7.179
   66   HD23  LEU  10          HD23      LEU   9   6.115  -2.709   7.290
   67    H    CYS  11           H        CYS  10   2.567  -2.362   2.026
   68    HA   CYS  11           HA       CYS  10   0.153  -4.042   2.251
   69    HB2  CYS  11           HB2      CYS  10   0.354  -1.190   1.270
   70    HB3  CYS  11           HB3      CYS  10  -1.049  -2.216   0.999
   71    HA   PRO  12           HA       PRO  11   2.565  -4.823  -1.680
   72    HB2  PRO  12           HB2      PRO  11   2.660  -7.537  -1.387
   73    HB3  PRO  12           HB3      PRO  11   3.871  -6.441  -0.687
   74    HG2  PRO  12           HG2      PRO  11   1.516  -7.736   0.611
   75    HG3  PRO  12           HG3      PRO  11   3.171  -7.531   1.222
   76    HD2  PRO  12           HD2      PRO  11   1.130  -5.902   1.998
   77    HD3  PRO  12           HD3      PRO  11   2.809  -5.328   1.863
   78    H    TRP  13           H        TRP  12  -0.372  -5.909  -0.262
   79    HA   TRP  13           HA       TRP  12  -1.379  -7.197  -2.656
   80    HB2  TRP  13           HB2      TRP  12  -3.548  -7.238  -1.256
   81    HB3  TRP  13           HB3      TRP  12  -2.194  -8.229  -0.717
   82    HD1  TRP  13           HD1      TRP  12  -4.000  -4.944   0.081
   83    HE1  TRP  13           HE1      TRP  12  -3.412  -4.248   2.491
   84    HE3  TRP  13           HE3      TRP  12  -0.547  -8.529   1.206
   85    HZ2  TRP  13           HZ2      TRP  12  -1.706  -5.110   4.620
   86    HZ3  TRP  13           HZ3      TRP  12   0.537  -8.575   3.434
   87    HH2  TRP  13           HH2      TRP  12  -0.039  -6.873   5.142
   88    H    ILE  14           H        ILE  13  -0.844  -4.062  -2.021
   89    HA   ILE  14           HA       ILE  13  -3.355  -3.150  -3.292
   90    HB   ILE  14           HB       ILE  13  -1.309  -1.552  -1.750
   91   HG12  ILE  14          HG12      ILE  13  -2.610  -3.195  -0.370
   92   HG13  ILE  14          HG13      ILE  13  -2.856  -1.512   0.082
   93   HG21  ILE  14          HG21      ILE  13  -3.255   0.115  -1.730
   94   HG22  ILE  14          HG22      ILE  13  -3.957  -0.867  -3.013
   95   HG23  ILE  14          HG23      ILE  13  -2.397  -0.088  -3.254
   96   HD11  ILE  14          HD11      ILE  13  -4.990  -1.438  -0.992
   97   HD12  ILE  14          HD12      ILE  13  -4.966  -2.946  -0.082
   98   HD13  ILE  14          HD13      ILE  13  -4.713  -2.968  -1.820
   99    H    ARG  15           H        ARG  14  -3.156  -2.883  -5.401
  100    HA   ARG  15           HA       ARG  14  -0.743  -2.824  -6.825
  101    HB2  ARG  15           HB2      ARG  14  -2.094  -2.233  -8.747
  102    HB3  ARG  15           HB3      ARG  14  -2.963  -3.420  -7.773
  103    HG2  ARG  15           HG2      ARG  14  -4.192  -1.544  -6.666
  104    HG3  ARG  15           HG3      ARG  14  -3.403  -0.423  -7.774
  105    HD2  ARG  15           HD2      ARG  14  -5.593  -0.988  -8.664
  106    HD3  ARG  15           HD3      ARG  14  -4.352  -1.704  -9.690
  107    HE   ARG  15           HE       ARG  14  -5.155  -3.542  -7.673
  108   HH11  ARG  15          HH11      ARG  14  -6.191  -2.077 -10.664
  109   HH12  ARG  15          HH12      ARG  14  -7.190  -3.413 -11.112
  110   HH21  ARG  15          HH21      ARG  14  -6.481  -5.276  -8.287
  111   HH22  ARG  15          HH22      ARG  14  -7.355  -5.209  -9.782
  112    H    SER  16           H        SER  15  -2.675  -0.248  -5.440
  113    HA   SER  16           HA       SER  15  -1.486   1.919  -6.810
  114    HB2  SER  16           HB2      SER  15  -2.760   1.786  -4.074
  115    HB3  SER  16           HB3      SER  15  -2.302   3.277  -4.886
  116    HG   SER  16           HG       SER  15  -3.792   2.880  -6.452
  117    H    CYS  17           H        CYS  16  -0.610   0.160  -3.888
  118    HA   CYS  17           HA       CYS  16   1.625   1.913  -3.288
  119    HB2  CYS  17           HB2      CYS  16   0.315  -0.439  -2.042
  120    HB3  CYS  17           HB3      CYS  16   2.001  -0.165  -1.650
  121    HN1  NH2  18           HN1      NH2 102   1.159  -0.643  -5.481
  122    HN2  NH2  18           HN2      NH2 102   2.786  -1.120  -5.638
  Start of MODEL    4
    1    H1   ACE   1           H1       ACE   0  -6.689   9.355  -4.770
    2    H2   ACE   1           H2       ACE   0  -6.083  10.742  -3.864
    3    H3   ACE   1           H3       ACE   0  -6.955   9.457  -3.029
    4    H    GLY   2           H1       GLY   1  -5.146   7.944  -5.309
    5    HA2  GLY   2           HA2      GLY   1  -3.028   6.988  -5.379
    6    HA3  GLY   2           HA3      GLY   1  -2.577   7.950  -3.970
    7    H    CYS   3           H        CYS   2  -1.585   5.688  -3.579
    8    HA   CYS   3           HA       CYS   2  -3.158   3.522  -2.849
    9    HB2  CYS   3           HB2      CYS   2  -0.727   3.392  -3.241
   10    HB3  CYS   3           HB3      CYS   2  -0.466   4.237  -1.714
   11    HA   PRO   4           HA       PRO   3  -4.922   5.136   0.937
   12    HB2  PRO   4           HB2      PRO   3  -5.919   2.763   1.894
   13    HB3  PRO   4           HB3      PRO   3  -6.698   3.715   0.614
   14    HG2  PRO   4           HG2      PRO   3  -4.975   1.295   0.394
   15    HG3  PRO   4           HG3      PRO   3  -6.431   1.736  -0.519
   16    HD2  PRO   4           HD2      PRO   3  -3.925   2.025  -1.519
   17    HD3  PRO   4           HD3      PRO   3  -5.268   3.094  -1.976
   18    H    CYS   5           H        CYS   4  -2.567   2.590   0.782
   19    HA   CYS   5           HA       CYS   4  -2.111   2.534   3.649
   20    HB2  CYS   5           HB2      CYS   4  -0.979   1.097   1.279
   21    HB3  CYS   5           HB3      CYS   4  -0.083   1.103   2.798
   22    H    ILE   6           H        ILE   5  -0.688   3.748   4.729
   23    HA   ILE   6           HA       ILE   5   0.694   5.897   3.511
   24    HB   ILE   6           HB       ILE   5   1.024   4.596   6.224
   25   HG12  ILE   6          HG12      ILE   5  -0.271   7.218   5.435
   26   HG13  ILE   6          HG13      ILE   5  -1.173   5.711   5.620
   27   HG21  ILE   6          HG21      ILE   5   2.154   6.796   6.778
   28   HG22  ILE   6          HG22      ILE   5   2.211   7.124   5.046
   29   HG23  ILE   6          HG23      ILE   5   3.084   5.744   5.712
   30   HD11  ILE   6          HD11      ILE   5  -1.196   7.123   7.689
   31   HD12  ILE   6          HD12      ILE   5   0.556   6.944   7.784
   32   HD13  ILE   6          HD13      ILE   5  -0.485   5.530   7.947
   33    H    TRP   7           H        TRP   6   1.763   2.705   4.672
   34    HA   TRP   7           HA       TRP   6   4.362   3.180   3.411
   35    HB2  TRP   7           HB2      TRP   6   3.619   1.136   5.479
   36    HB3  TRP   7           HB3      TRP   6   5.226   1.353   4.773
   37    HD1  TRP   7           HD1      TRP   6   2.710   3.043   7.090
   38    HE1  TRP   7           HE1      TRP   6   3.915   4.899   8.413
   39    HE3  TRP   7           HE3      TRP   6   7.241   2.996   4.742
   40    HZ2  TRP   7           HZ2      TRP   6   6.465   6.193   8.467
   41    HZ3  TRP   7           HZ3      TRP   6   9.041   4.549   5.447
   42    HH2  TRP   7           HH2      TRP   6   8.659   6.145   7.306
   43    HA   PRO   8           HA       PRO   7   2.525   0.356   0.360
   44    HB2  PRO   8           HB2      PRO   7   4.567   0.568  -1.464
   45    HB3  PRO   8           HB3      PRO   7   3.268   1.768  -1.309
   46    HG2  PRO   8           HG2      PRO   7   6.052   1.834  -0.239
   47    HG3  PRO   8           HG3      PRO   7   5.084   3.134  -0.955
   48    HD2  PRO   8           HD2      PRO   7   5.437   2.866   1.715
   49    HD3  PRO   8           HD3      PRO   7   3.960   3.566   1.015
   50    H    GLU   9           H        GLU   8   5.572   0.117   1.950
   51    HA   GLU   9           HA       GLU   8   6.308  -2.455   0.910
   52    HB2  GLU   9           HB2      GLU   8   8.056  -2.407   2.551
   53    HB3  GLU   9           HB3      GLU   8   7.912  -0.779   1.894
   54    HG2  GLU   9           HG2      GLU   8   6.381  -0.244   3.846
   55    HG3  GLU   9           HG3      GLU   8   6.840  -1.803   4.531
   56    H    LEU  10           H        LEU   9   4.051  -1.359   3.246
   57    HA   LEU  10           HA       LEU   9   3.984  -3.986   4.573
   58    HB2  LEU  10           HB2      LEU   9   2.590  -1.404   5.334
   59    HB3  LEU  10           HB3      LEU   9   2.645  -2.890   6.287
   60    HG   LEU  10           HG       LEU   9   5.071  -1.267   5.472
   61   HD11  LEU  10          HD11      LEU   9   3.519  -0.201   7.169
   62   HD12  LEU  10          HD12      LEU   9   5.161  -0.496   7.741
   63   HD13  LEU  10          HD13      LEU   9   3.850  -1.575   8.223
   64   HD21  LEU  10          HD21      LEU   9   6.148  -2.763   7.231
   65   HD22  LEU  10          HD22      LEU   9   5.680  -3.578   5.740
   66   HD23  LEU  10          HD23      LEU   9   4.679  -3.736   7.181
   67    H    CYS  11           H        CYS  10   2.549  -2.368   2.031
   68    HA   CYS  11           HA       CYS  10   0.123  -4.023   2.260
   69    HB2  CYS  11           HB2      CYS  10   0.377  -1.161   1.327
   70    HB3  CYS  11           HB3      CYS  10  -1.024  -2.164   0.980
   71    HA   PRO  12           HA       PRO  11   2.497  -4.805  -1.676
   72    HB2  PRO  12           HB2      PRO  11   2.592  -7.521  -1.409
   73    HB3  PRO  12           HB3      PRO  11   3.823  -6.429  -0.739
   74    HG2  PRO  12           HG2      PRO  11   1.536  -7.770   0.621
   75    HG3  PRO  12           HG3      PRO  11   3.194  -7.494   1.195
   76    HD2  PRO  12           HD2      PRO  11   1.070  -5.942   1.974
   77    HD3  PRO  12           HD3      PRO  11   2.741  -5.334   1.885
   78    H    TRP  13           H        TRP  12  -0.411  -5.942  -0.239
   79    HA   TRP  13           HA       TRP  12  -1.439  -7.229  -2.616
   80    HB2  TRP  13           HB2      TRP  12  -3.589  -7.271  -1.236
   81    HB3  TRP  13           HB3      TRP  12  -2.219  -8.190  -0.612
   82    HD1  TRP  13           HD1      TRP  12  -4.030  -4.846  -0.100
   83    HE1  TRP  13           HE1      TRP  12  -3.554  -4.011   2.288
   84    HE3  TRP  13           HE3      TRP  12  -0.688  -8.390   1.407
   85    HZ2  TRP  13           HZ2      TRP  12  -1.970  -4.759   4.549
   86    HZ3  TRP  13           HZ3      TRP  12   0.287  -8.310   3.686
   87    HH2  TRP  13           HH2      TRP  12  -0.349  -6.501   5.256
   88    H    ILE  14           H        ILE  13  -0.840  -4.111  -2.055
   89    HA   ILE  14           HA       ILE  13  -3.335  -3.159  -3.306
   90    HB   ILE  14           HB       ILE  13  -1.226  -1.571  -1.843
   91   HG12  ILE  14          HG12      ILE  13  -2.452  -3.130  -0.374
   92   HG13  ILE  14          HG13      ILE  13  -2.818  -1.450  -0.004
   93   HG21  ILE  14          HG21      ILE  13  -2.390  -0.174  -3.416
   94   HG22  ILE  14          HG22      ILE  13  -3.110   0.134  -1.841
   95   HG23  ILE  14          HG23      ILE  13  -3.935  -0.904  -2.999
   96   HD11  ILE  14          HD11      ILE  13  -4.877  -2.839  -0.063
   97   HD12  ILE  14          HD12      ILE  13  -4.537  -3.282  -1.723
   98   HD13  ILE  14          HD13      ILE  13  -4.909  -1.609  -1.315
   99    H    ARG  15           H        ARG  14  -3.231  -2.713  -5.392
  100    HA   ARG  15           HA       ARG  14  -0.819  -2.818  -6.879
  101    HB2  ARG  15           HB2      ARG  14  -2.173  -2.205  -8.781
  102    HB3  ARG  15           HB3      ARG  14  -3.106  -3.318  -7.780
  103    HG2  ARG  15           HG2      ARG  14  -4.231  -1.366  -6.720
  104    HG3  ARG  15           HG3      ARG  14  -3.356  -0.294  -7.809
  105    HD2  ARG  15           HD2      ARG  14  -5.251  -2.491  -8.656
  106    HD3  ARG  15           HD3      ARG  14  -5.612  -0.768  -8.658
  107    HE   ARG  15           HE       ARG  14  -3.312  -1.075 -10.177
  108   HH11  ARG  15          HH11      ARG  14  -6.602  -2.205 -10.202
  109   HH12  ARG  15          HH12      ARG  14  -6.676  -2.344 -11.919
  110   HH21  ARG  15          HH21      ARG  14  -3.425  -1.265 -12.443
  111   HH22  ARG  15          HH22      ARG  14  -4.888  -1.815 -13.188
  112    H    SER  16           H        SER  15  -2.648  -0.193  -5.446
  113    HA   SER  16           HA       SER  15  -1.416   1.950  -6.816
  114    HB2  SER  16           HB2      SER  15  -2.686   1.837  -4.076
  115    HB3  SER  16           HB3      SER  15  -2.207   3.321  -4.892
  116    HG   SER  16           HG       SER  15  -3.614   2.703  -6.610
  117    H    CYS  17           H        CYS  16  -0.592   0.221  -3.847
  118    HA   CYS  17           HA       CYS  16   1.671   1.928  -3.272
  119    HB2  CYS  17           HB2      CYS  16   0.402  -0.445  -2.013
  120    HB3  CYS  17           HB3      CYS  16   2.076  -0.119  -1.627
  121    HN1  NH2  18           HN1      NH2 102   1.138  -0.984  -5.133
  122    HN2  NH2  18           HN2      NH2 102   2.782  -1.311  -5.443
  Start of MODEL    5
    1    H1   ACE   1           H1       ACE   0  -5.968  10.124  -4.913
    2    H2   ACE   1           H2       ACE   0  -5.828  10.783  -3.283
    3    H3   ACE   1           H3       ACE   0  -6.739   9.299  -3.559
    4    H    GLY   2           H1       GLY   1  -4.908   8.068  -5.357
    5    HA2  GLY   2           HA2      GLY   1  -2.863   6.978  -5.470
    6    HA3  GLY   2           HA3      GLY   1  -2.314   7.917  -4.084
    7    H    CYS   3           H        CYS   2  -1.436   5.656  -3.635
    8    HA   CYS   3           HA       CYS   2  -3.126   3.556  -2.889
    9    HB2  CYS   3           HB2      CYS   2  -0.641   3.405  -3.278
   10    HB3  CYS   3           HB3      CYS   2  -0.426   4.119  -1.677
   11    HA   PRO   4           HA       PRO   3  -4.811   5.316   0.880
   12    HB2  PRO   4           HB2      PRO   3  -5.932   3.031   1.913
   13    HB3  PRO   4           HB3      PRO   3  -6.670   3.993   0.616
   14    HG2  PRO   4           HG2      PRO   3  -5.096   1.471   0.443
   15    HG3  PRO   4           HG3      PRO   3  -6.534   1.973  -0.463
   16    HD2  PRO   4           HD2      PRO   3  -4.019   2.094  -1.522
   17    HD3  PRO   4           HD3      PRO   3  -5.310   3.229  -1.982
   18    H    CYS   5           H        CYS   4  -2.691   2.538   0.824
   19    HA   CYS   5           HA       CYS   4  -2.189   2.516   3.664
   20    HB2  CYS   5           HB2      CYS   4  -1.129   1.062   1.283
   21    HB3  CYS   5           HB3      CYS   4  -0.169   1.071   2.763
   22    H    ILE   6           H        ILE   5  -0.753   3.671   4.763
   23    HA   ILE   6           HA       ILE   5   0.683   5.804   3.600
   24    HB   ILE   6           HB       ILE   5   0.979   4.439   6.283
   25   HG12  ILE   6          HG12      ILE   5  -0.243   7.111   5.540
   26   HG13  ILE   6          HG13      ILE   5  -1.185   5.627   5.697
   27   HG21  ILE   6          HG21      ILE   5   2.159   6.617   6.870
   28   HG22  ILE   6          HG22      ILE   5   2.252   6.939   5.139
   29   HG23  ILE   6          HG23      ILE   5   3.070   5.532   5.819
   30   HD11  ILE   6          HD11      ILE   5  -1.336   6.714   7.818
   31   HD12  ILE   6          HD12      ILE   5   0.395   7.053   7.845
   32   HD13  ILE   6          HD13      ILE   5  -0.183   5.397   8.036
   33    H    TRP   7           H        TRP   6   1.690   2.572   4.694
   34    HA   TRP   7           HA       TRP   6   4.301   3.046   3.422
   35    HB2  TRP   7           HB2      TRP   6   3.511   0.949   5.440
   36    HB3  TRP   7           HB3      TRP   6   5.130   1.174   4.768
   37    HD1  TRP   7           HD1      TRP   6   2.592   2.791   7.103
   38    HE1  TRP   7           HE1      TRP   6   3.772   4.610   8.496
   39    HE3  TRP   7           HE3      TRP   6   7.161   2.845   4.805
   40    HZ2  TRP   7           HZ2      TRP   6   6.310   5.911   8.624
   41    HZ3  TRP   7           HZ3      TRP   6   8.938   4.389   5.587
   42    HH2  TRP   7           HH2      TRP   6   8.518   5.921   7.491
   43    HA   PRO   8           HA       PRO   7   2.505   0.273   0.324
   44    HB2  PRO   8           HB2      PRO   7   4.504   0.494  -1.518
   45    HB3  PRO   8           HB3      PRO   7   3.258   1.737  -1.298
   46    HG2  PRO   8           HG2      PRO   7   6.054   1.659  -0.252
   47    HG3  PRO   8           HG3      PRO   7   5.156   3.006  -0.977
   48    HD2  PRO   8           HD2      PRO   7   5.451   2.753   1.712
   49    HD3  PRO   8           HD3      PRO   7   4.000   3.476   0.979
   50    H    GLU   9           H        GLU   8   5.589   0.078   1.882
   51    HA   GLU   9           HA       GLU   8   6.342  -2.503   0.908
   52    HB2  GLU   9           HB2      GLU   8   8.057  -2.413   2.583
   53    HB3  GLU   9           HB3      GLU   8   7.888  -0.789   1.921
   54    HG2  GLU   9           HG2      GLU   8   6.323  -0.263   3.825
   55    HG3  GLU   9           HG3      GLU   8   6.744  -1.824   4.525
   56    H    LEU  10           H        LEU   9   4.142  -1.350   3.315
   57    HA   LEU  10           HA       LEU   9   3.986  -3.972   4.625
   58    HB2  LEU  10           HB2      LEU   9   2.566  -1.377   5.281
   59    HB3  LEU  10           HB3      LEU   9   2.564  -2.846   6.262
   60    HG   LEU  10           HG       LEU   9   5.024  -1.227   5.539
   61   HD11  LEU  10          HD11      LEU   9   3.722  -1.568   8.248
   62   HD12  LEU  10          HD12      LEU   9   3.384  -0.197   7.191
   63   HD13  LEU  10          HD13      LEU   9   5.016  -0.455   7.806
   64   HD21  LEU  10          HD21      LEU   9   6.041  -2.722   7.343
   65   HD22  LEU  10          HD22      LEU   9   5.663  -3.522   5.818
   66   HD23  LEU  10          HD23      LEU   9   4.593  -3.719   7.207
   67    H    CYS  11           H        CYS  10   2.460  -2.132   2.182
   68    HA   CYS  11           HA       CYS  10   0.130  -3.963   2.266
   69    HB2  CYS  11           HB2      CYS  10   0.294  -1.072   1.406
   70    HB3  CYS  11           HB3      CYS  10  -1.068  -2.118   1.015
   71    HA   PRO  12           HA       PRO  11   2.582  -4.552  -1.684
   72    HB2  PRO  12           HB2      PRO  11   2.846  -7.258  -1.434
   73    HB3  PRO  12           HB3      PRO  11   3.992  -6.104  -0.716
   74    HG2  PRO  12           HG2      PRO  11   1.720  -7.557   0.564
   75    HG3  PRO  12           HG3      PRO  11   3.364  -7.276   1.171
   76    HD2  PRO  12           HD2      PRO  11   1.247  -5.773   1.990
   77    HD3  PRO  12           HD3      PRO  11   2.891  -5.108   1.848
   78    H    TRP  13           H        TRP  12  -0.270  -5.821  -0.239
   79    HA   TRP  13           HA       TRP  12  -1.239  -7.167  -2.609
   80    HB2  TRP  13           HB2      TRP  12  -3.395  -7.282  -1.204
   81    HB3  TRP  13           HB3      TRP  12  -1.994  -8.182  -0.624
   82    HD1  TRP  13           HD1      TRP  12  -3.932  -4.935   0.025
   83    HE1  TRP  13           HE1      TRP  12  -3.417  -4.140   2.421
   84    HE3  TRP  13           HE3      TRP  12  -0.406  -8.375   1.347
   85    HZ2  TRP  13           HZ2      TRP  12  -1.734  -4.875   4.614
   86    HZ3  TRP  13           HZ3      TRP  12   0.630  -8.313   3.598
   87    HH2  TRP  13           HH2      TRP  12  -0.030  -6.570   5.233
   88    H    ILE  14           H        ILE  13  -0.827  -4.001  -2.017
   89    HA   ILE  14           HA       ILE  13  -3.379  -3.193  -3.274
   90    HB   ILE  14           HB       ILE  13  -1.341  -1.506  -1.824
   91   HG12  ILE  14          HG12      ILE  13  -2.587  -3.131  -0.374
   92   HG13  ILE  14          HG13      ILE  13  -2.852  -1.440   0.036
   93   HG21  ILE  14          HG21      ILE  13  -3.305   0.131  -1.829
   94   HG22  ILE  14          HG22      ILE  13  -4.026  -0.912  -3.055
   95   HG23  ILE  14          HG23      ILE  13  -2.482  -0.122  -3.365
   96   HD11  ILE  14          HD11      ILE  13  -5.003  -1.428  -1.013
   97   HD12  ILE  14          HD12      ILE  13  -4.943  -2.899  -0.042
   98   HD13  ILE  14          HD13      ILE  13  -4.719  -2.986  -1.784
   99    H    ARG  15           H        ARG  14  -3.262  -2.876  -5.386
  100    HA   ARG  15           HA       ARG  14  -0.910  -2.866  -6.901
  101    HB2  ARG  15           HB2      ARG  14  -2.314  -2.238  -8.765
  102    HB3  ARG  15           HB3      ARG  14  -3.214  -3.361  -7.747
  103    HG2  ARG  15           HG2      ARG  14  -4.339  -1.438  -6.651
  104    HG3  ARG  15           HG3      ARG  14  -3.479  -0.337  -7.723
  105    HD2  ARG  15           HD2      ARG  14  -5.322  -2.543  -8.664
  106    HD3  ARG  15           HD3      ARG  14  -5.786  -0.851  -8.509
  107    HE   ARG  15           HE       ARG  14  -3.484  -0.949 -10.093
  108   HH11  ARG  15          HH11      ARG  14  -6.798  -2.023 -10.179
  109   HH12  ARG  15          HH12      ARG  14  -6.907  -1.943 -11.902
  110   HH21  ARG  15          HH21      ARG  14  -3.655  -0.853 -12.349
  111   HH22  ARG  15          HH22      ARG  14  -5.142  -1.286 -13.124
  112    H    SER  16           H        SER  15  -2.711  -0.243  -5.425
  113    HA   SER  16           HA       SER  15  -1.468   1.884  -6.811
  114    HB2  SER  16           HB2      SER  15  -2.757   1.799  -4.083
  115    HB3  SER  16           HB3      SER  15  -2.242   3.273  -4.890
  116    HG   SER  16           HG       SER  15  -4.179   3.154  -5.719
  117    H    CYS  17           H        CYS  16  -0.630   0.117  -3.874
  118    HA   CYS  17           HA       CYS  16   1.616   1.837  -3.248
  119    HB2  CYS  17           HB2      CYS  16   0.403  -0.630  -2.088
  120    HB3  CYS  17           HB3      CYS  16   2.050  -0.220  -1.646
  121    HN1  NH2  18           HN1      NH2 102   1.121  -0.901  -5.313
  122    HN2  NH2  18           HN2      NH2 102   2.764  -1.246  -5.593
  Start of MODEL    6
    1    H1   ACE   1           H1       ACE   0  -7.222   9.310  -3.653
    2    H2   ACE   1           H2       ACE   0  -7.021   8.626  -5.267
    3    H3   ACE   1           H3       ACE   0  -6.418  10.245  -4.912
    4    H    GLY   2           H1       GLY   1  -5.162   7.550  -5.753
    5    HA2  GLY   2           HA2      GLY   1  -2.966   6.811  -5.563
    6    HA3  GLY   2           HA3      GLY   1  -2.753   7.881  -4.177
    7    H    CYS   3           H        CYS   2  -1.602   5.677  -3.663
    8    HA   CYS   3           HA       CYS   2  -3.167   3.483  -2.872
    9    HB2  CYS   3           HB2      CYS   2  -0.747   3.320  -3.298
   10    HB3  CYS   3           HB3      CYS   2  -0.451   4.267  -1.835
   11    HA   PRO   4           HA       PRO   3  -4.832   5.270   0.893
   12    HB2  PRO   4           HB2      PRO   3  -6.009   3.032   1.911
   13    HB3  PRO   4           HB3      PRO   3  -6.689   3.947   0.551
   14    HG2  PRO   4           HG2      PRO   3  -5.089   1.431   0.529
   15    HG3  PRO   4           HG3      PRO   3  -6.520   1.870  -0.427
   16    HD2  PRO   4           HD2      PRO   3  -3.980   1.999  -1.425
   17    HD3  PRO   4           HD3      PRO   3  -5.287   3.078  -1.972
   18    H    CYS   5           H        CYS   4  -2.598   2.631   0.752
   19    HA   CYS   5           HA       CYS   4  -2.148   2.496   3.616
   20    HB2  CYS   5           HB2      CYS   4  -1.125   1.087   1.204
   21    HB3  CYS   5           HB3      CYS   4  -0.080   1.128   2.627
   22    H    ILE   6           H        ILE   5  -0.752   3.694   4.737
   23    HA   ILE   6           HA       ILE   5   0.684   5.842   3.601
   24    HB   ILE   6           HB       ILE   5   0.951   4.459   6.276
   25   HG12  ILE   6          HG12      ILE   5  -0.254   7.138   5.550
   26   HG13  ILE   6          HG13      ILE   5  -1.202   5.653   5.652
   27   HG21  ILE   6          HG21      ILE   5   2.198   7.020   5.230
   28   HG22  ILE   6          HG22      ILE   5   3.054   5.581   5.787
   29   HG23  ILE   6          HG23      ILE   5   2.150   6.570   6.933
   30   HD11  ILE   6          HD11      ILE   5  -0.711   5.390   7.978
   31   HD12  ILE   6          HD12      ILE   5  -1.156   7.083   7.766
   32   HD13  ILE   6          HD13      ILE   5   0.540   6.631   7.925
   33    H    TRP   7           H        TRP   6   1.732   2.634   4.728
   34    HA   TRP   7           HA       TRP   6   4.335   3.128   3.460
   35    HB2  TRP   7           HB2      TRP   6   3.560   1.058   5.505
   36    HB3  TRP   7           HB3      TRP   6   5.174   1.251   4.808
   37    HD1  TRP   7           HD1      TRP   6   2.688   2.927   7.160
   38    HE1  TRP   7           HE1      TRP   6   3.906   4.769   8.489
   39    HE3  TRP   7           HE3      TRP   6   7.202   2.909   4.767
   40    HZ2  TRP   7           HZ2      TRP   6   6.454   6.063   8.534
   41    HZ3  TRP   7           HZ3      TRP   6   9.004   4.461   5.471
   42    HH2  TRP   7           HH2      TRP   6   8.635   6.037   7.350
   43    HA   PRO   8           HA       PRO   7   2.516   0.346   0.367
   44    HB2  PRO   8           HB2      PRO   7   4.529   0.587  -1.480
   45    HB3  PRO   8           HB3      PRO   7   3.234   1.780  -1.293
   46    HG2  PRO   8           HG2      PRO   7   6.028   1.850  -0.268
   47    HG3  PRO   8           HG3      PRO   7   5.040   3.147  -0.965
   48    HD2  PRO   8           HD2      PRO   7   5.423   2.881   1.718
   49    HD3  PRO   8           HD3      PRO   7   3.935   3.566   1.024
   50    H    GLU   9           H        GLU   8   5.594   0.136   1.916
   51    HA   GLU   9           HA       GLU   8   6.340  -2.427   0.877
   52    HB2  GLU   9           HB2      GLU   8   8.085  -2.365   2.520
   53    HB3  GLU   9           HB3      GLU   8   7.909  -0.735   1.880
   54    HG2  GLU   9           HG2      GLU   8   6.403  -0.209   3.823
   55    HG3  GLU   9           HG3      GLU   8   6.806  -1.790   4.490
   56    H    LEU  10           H        LEU   9   4.113  -1.350   3.280
   57    HA   LEU  10           HA       LEU   9   4.030  -4.007   4.551
   58    HB2  LEU  10           HB2      LEU   9   2.619  -1.445   5.345
   59    HB3  LEU  10           HB3      LEU   9   2.700  -2.939   6.286
   60    HG   LEU  10           HG       LEU   9   5.081  -1.253   5.476
   61   HD11  LEU  10          HD11      LEU   9   5.220  -0.654   7.833
   62   HD12  LEU  10          HD12      LEU   9   3.812  -1.654   8.193
   63   HD13  LEU  10          HD13      LEU   9   3.635  -0.206   7.202
   64   HD21  LEU  10          HD21      LEU   9   6.228  -2.776   7.176
   65   HD22  LEU  10          HD22      LEU   9   5.779  -3.539   5.651
   66   HD23  LEU  10          HD23      LEU   9   4.793  -3.797   7.090
   67    H    CYS  11           H        CYS  10   2.580  -2.384   2.027
   68    HA   CYS  11           HA       CYS  10   0.154  -4.050   2.256
   69    HB2  CYS  11           HB2      CYS  10   0.373  -1.199   1.276
   70    HB3  CYS  11           HB3      CYS  10  -1.044  -2.208   1.053
   71    HA   PRO  12           HA       PRO  11   2.501  -4.769  -1.729
   72    HB2  PRO  12           HB2      PRO  11   2.654  -7.489  -1.471
   73    HB3  PRO  12           HB3      PRO  11   3.872  -6.377  -0.810
   74    HG2  PRO  12           HG2      PRO  11   1.615  -7.751   0.571
   75    HG3  PRO  12           HG3      PRO  11   3.281  -7.480   1.121
   76    HD2  PRO  12           HD2      PRO  11   1.187  -5.937   1.967
   77    HD3  PRO  12           HD3      PRO  11   2.845  -5.310   1.815
   78    H    TRP  13           H        TRP  12  -0.355  -5.898  -0.202
   79    HA   TRP  13           HA       TRP  12  -1.470  -7.216  -2.515
   80    HB2  TRP  13           HB2      TRP  12  -3.577  -7.196  -1.049
   81    HB3  TRP  13           HB3      TRP  12  -2.202  -8.135  -0.470
   82    HD1  TRP  13           HD1      TRP  12  -3.937  -4.751   0.080
   83    HE1  TRP  13           HE1      TRP  12  -3.351  -3.905   2.442
   84    HE3  TRP  13           HE3      TRP  12  -0.641  -8.372   1.514
   85    HZ2  TRP  13           HZ2      TRP  12  -1.710  -4.673   4.654
   86    HZ3  TRP  13           HZ3      TRP  12   0.409  -8.300   3.758
   87    HH2  TRP  13           HH2      TRP  12  -0.120  -6.455   5.329
   88    H    ILE  14           H        ILE  13  -0.817  -4.096  -2.082
   89    HA   ILE  14           HA       ILE  13  -3.353  -3.151  -3.280
   90    HB   ILE  14           HB       ILE  13  -1.230  -1.554  -1.863
   91   HG12  ILE  14          HG12      ILE  13  -2.415  -3.062  -0.336
   92   HG13  ILE  14          HG13      ILE  13  -2.810  -1.383  -0.014
   93   HG21  ILE  14          HG21      ILE  13  -3.058   0.180  -1.853
   94   HG22  ILE  14          HG22      ILE  13  -3.949  -0.853  -2.967
   95   HG23  ILE  14          HG23      ILE  13  -2.397  -0.175  -3.445
   96   HD11  ILE  14          HD11      ILE  13  -4.913  -1.641  -1.315
   97   HD12  ILE  14          HD12      ILE  13  -4.842  -2.772   0.031
   98   HD13  ILE  14          HD13      ILE  13  -4.516  -3.335  -1.602
   99    H    ARG  15           H        ARG  14  -3.254  -2.700  -5.376
  100    HA   ARG  15           HA       ARG  14  -0.855  -2.826  -6.872
  101    HB2  ARG  15           HB2      ARG  14  -2.224  -2.179  -8.763
  102    HB3  ARG  15           HB3      ARG  14  -3.137  -3.311  -7.764
  103    HG2  ARG  15           HG2      ARG  14  -4.249  -1.375  -6.650
  104    HG3  ARG  15           HG3      ARG  14  -3.408  -0.295  -7.758
  105    HD2  ARG  15           HD2      ARG  14  -5.656  -0.748  -8.595
  106    HD3  ARG  15           HD3      ARG  14  -4.454  -1.449  -9.674
  107    HE   ARG  15           HE       ARG  14  -5.295  -3.337  -7.706
  108   HH11  ARG  15          HH11      ARG  14  -6.246  -1.765 -10.668
  109   HH12  ARG  15          HH12      ARG  14  -7.262  -3.064 -11.175
  110   HH21  ARG  15          HH21      ARG  14  -6.637  -5.029  -8.398
  111   HH22  ARG  15          HH22      ARG  14  -7.485  -4.900  -9.903
  112    H    SER  16           H        SER  15  -2.655  -0.177  -5.446
  113    HA   SER  16           HA       SER  15  -1.400   1.945  -6.827
  114    HB2  SER  16           HB2      SER  15  -2.706   1.834  -4.111
  115    HB3  SER  16           HB3      SER  15  -2.176   3.322  -4.888
  116    HG   SER  16           HG       SER  15  -4.468   2.391  -5.180
  117    H    CYS  17           H        CYS  16  -0.594   0.244  -3.841
  118    HA   CYS  17           HA       CYS  16   1.678   1.940  -3.272
  119    HB2  CYS  17           HB2      CYS  16   0.351  -0.391  -2.004
  120    HB3  CYS  17           HB3      CYS  16   2.033  -0.121  -1.613
  121    HN1  NH2  18           HN1      NH2 102   1.130  -0.832  -5.263
  122    HN2  NH2  18           HN2      NH2 102   2.765  -1.253  -5.496
  Start of MODEL    7
    1    H1   ACE   1           H1       ACE   0  -6.359   9.920  -4.559
    2    H2   ACE   1           H2       ACE   0  -6.510   9.322  -6.211
    3    H3   ACE   1           H3       ACE   0  -5.751  10.884  -5.903
    4    H    GLY   2           H1       GLY   1  -5.321   7.757  -4.260
    5    HA2  GLY   2           HA2      GLY   1  -2.892   7.010  -5.444
    6    HA3  GLY   2           HA3      GLY   1  -2.518   7.998  -4.035
    7    H    CYS   3           H        CYS   2  -1.501   5.732  -3.620
    8    HA   CYS   3           HA       CYS   2  -3.122   3.571  -2.905
    9    HB2  CYS   3           HB2      CYS   2  -0.673   3.418  -3.274
   10    HB3  CYS   3           HB3      CYS   2  -0.420   4.271  -1.750
   11    HA   PRO   4           HA       PRO   3  -4.871   5.243   0.876
   12    HB2  PRO   4           HB2      PRO   3  -5.991   2.929   1.825
   13    HB3  PRO   4           HB3      PRO   3  -6.696   3.896   0.515
   14    HG2  PRO   4           HG2      PRO   3  -5.077   1.403   0.367
   15    HG3  PRO   4           HG3      PRO   3  -6.487   1.894  -0.584
   16    HD2  PRO   4           HD2      PRO   3  -3.941   2.057  -1.513
   17    HD3  PRO   4           HD3      PRO   3  -5.241   3.148  -2.040
   18    H    CYS   5           H        CYS   4  -2.609   2.618   0.741
   19    HA   CYS   5           HA       CYS   4  -2.191   2.496   3.610
   20    HB2  CYS   5           HB2      CYS   4  -1.176   1.059   1.223
   21    HB3  CYS   5           HB3      CYS   4  -0.101   1.134   2.620
   22    H    ILE   6           H        ILE   5  -0.764   3.649   4.749
   23    HA   ILE   6           HA       ILE   5   0.641   5.824   3.631
   24    HB   ILE   6           HB       ILE   5   0.942   4.413   6.294
   25   HG12  ILE   6          HG12      ILE   5  -0.324   7.077   5.596
   26   HG13  ILE   6          HG13      ILE   5  -1.239   5.573   5.719
   27   HG21  ILE   6          HG21      ILE   5   2.158   6.982   5.235
   28   HG22  ILE   6          HG22      ILE   5   3.017   5.567   5.840
   29   HG23  ILE   6          HG23      ILE   5   2.088   6.575   6.950
   30   HD11  ILE   6          HD11      ILE   5  -1.295   6.870   7.842
   31   HD12  ILE   6          HD12      ILE   5   0.462   6.751   7.939
   32   HD13  ILE   6          HD13      ILE   5  -0.528   5.295   8.046
   33    H    TRP   7           H        TRP   6   1.720   2.611   4.733
   34    HA   TRP   7           HA       TRP   6   4.317   3.151   3.456
   35    HB2  TRP   7           HB2      TRP   6   3.586   1.047   5.510
   36    HB3  TRP   7           HB3      TRP   6   5.184   1.293   4.802
   37    HD1  TRP   7           HD1      TRP   6   2.664   2.942   7.128
   38    HE1  TRP   7           HE1      TRP   6   3.852   4.794   8.469
   39    HE3  TRP   7           HE3      TRP   6   7.207   2.949   4.792
   40    HZ2  TRP   7           HZ2      TRP   6   6.394   6.101   8.549
   41    HZ3  TRP   7           HZ3      TRP   6   8.993   4.507   5.523
   42    HH2  TRP   7           HH2      TRP   6   8.592   6.080   7.397
   43    HA   PRO   8           HA       PRO   7   2.517   0.338   0.365
   44    HB2  PRO   8           HB2      PRO   7   4.552   0.583  -1.467
   45    HB3  PRO   8           HB3      PRO   7   3.259   1.782  -1.275
   46    HG2  PRO   8           HG2      PRO   7   6.041   1.816  -0.203
   47    HG3  PRO   8           HG3      PRO   7   5.095   3.128  -0.923
   48    HD2  PRO   8           HD2      PRO   7   5.415   2.868   1.748
   49    HD3  PRO   8           HD3      PRO   7   3.940   3.542   1.030
   50    H    GLU   9           H        GLU   8   5.639   0.113   1.863
   51    HA   GLU   9           HA       GLU   8   6.326  -2.461   0.838
   52    HB2  GLU   9           HB2      GLU   8   8.101  -2.423   2.442
   53    HB3  GLU   9           HB3      GLU   8   7.942  -0.789   1.798
   54    HG2  GLU   9           HG2      GLU   8   6.464  -0.253   3.776
   55    HG3  GLU   9           HG3      GLU   8   6.889  -1.831   4.434
   56    H    LEU  10           H        LEU   9   4.150  -1.351   3.258
   57    HA   LEU  10           HA       LEU   9   4.066  -3.987   4.557
   58    HB2  LEU  10           HB2      LEU   9   2.714  -1.392   5.327
   59    HB3  LEU  10           HB3      LEU   9   2.733  -2.878   6.278
   60    HG   LEU  10           HG       LEU   9   5.185  -1.284   5.473
   61   HD11  LEU  10          HD11      LEU   9   3.721  -0.186   7.183
   62   HD12  LEU  10          HD12      LEU   9   5.311  -0.626   7.804
   63   HD13  LEU  10          HD13      LEU   9   3.905  -1.615   8.200
   64   HD21  LEU  10          HD21      LEU   9   5.808  -3.581   5.689
   65   HD22  LEU  10          HD22      LEU   9   4.775  -3.804   7.101
   66   HD23  LEU  10          HD23      LEU   9   6.242  -2.831   7.225
   67    H    CYS  11           H        CYS  10   2.592  -2.347   2.040
   68    HA   CYS  11           HA       CYS  10   0.167  -4.009   2.291
   69    HB2  CYS  11           HB2      CYS  10   0.404  -1.152   1.338
   70    HB3  CYS  11           HB3      CYS  10  -1.025  -2.153   1.083
   71    HA   PRO  12           HA       PRO  11   2.504  -4.753  -1.688
   72    HB2  PRO  12           HB2      PRO  11   2.615  -7.471  -1.427
   73    HB3  PRO  12           HB3      PRO  11   3.852  -6.371  -0.787
   74    HG2  PRO  12           HG2      PRO  11   1.611  -7.729   0.625
   75    HG3  PRO  12           HG3      PRO  11   3.271  -7.434   1.162
   76    HD2  PRO  12           HD2      PRO  11   1.151  -5.911   1.986
   77    HD3  PRO  12           HD3      PRO  11   2.811  -5.282   1.858
   78    H    TRP  13           H        TRP  12  -0.377  -5.910  -0.217
   79    HA   TRP  13           HA       TRP  12  -1.430  -7.202  -2.581
   80    HB2  TRP  13           HB2      TRP  12  -3.590  -7.187  -1.174
   81    HB3  TRP  13           HB3      TRP  12  -2.238  -8.151  -0.584
   82    HD1  TRP  13           HD1      TRP  12  -3.981  -4.788   0.011
   83    HE1  TRP  13           HE1      TRP  12  -3.420  -3.985   2.393
   84    HE3  TRP  13           HE3      TRP  12  -0.655  -8.401   1.385
   85    HZ2  TRP  13           HZ2      TRP  12  -1.789  -4.787   4.601
   86    HZ3  TRP  13           HZ3      TRP  12   0.386  -8.363   3.634
   87    HH2  TRP  13           HH2      TRP  12  -0.176  -6.561   5.242
   88    H    ILE  14           H        ILE  13  -0.868  -4.047  -1.991
   89    HA   ILE  14           HA       ILE  13  -3.365  -3.127  -3.268
   90    HB   ILE  14           HB       ILE  13  -1.236  -1.519  -1.846
   91   HG12  ILE  14          HG12      ILE  13  -2.434  -3.059  -0.326
   92   HG13  ILE  14          HG13      ILE  13  -2.803  -1.370   0.014
   93   HG21  ILE  14          HG21      ILE  13  -3.955  -0.862  -2.976
   94   HG22  ILE  14          HG22      ILE  13  -2.408  -0.136  -3.400
   95   HG23  ILE  14          HG23      ILE  13  -3.126   0.182  -1.823
   96   HD11  ILE  14          HD11      ILE  13  -4.926  -1.570  -1.248
   97   HD12  ILE  14          HD12      ILE  13  -4.853  -2.767   0.048
   98   HD13  ILE  14          HD13      ILE  13  -4.544  -3.256  -1.621
   99    H    ARG  15           H        ARG  14  -3.254  -2.760  -5.363
  100    HA   ARG  15           HA       ARG  14  -0.860  -2.864  -6.855
  101    HB2  ARG  15           HB2      ARG  14  -2.229  -2.247  -8.757
  102    HB3  ARG  15           HB3      ARG  14  -3.139  -3.371  -7.749
  103    HG2  ARG  15           HG2      ARG  14  -4.315  -1.467  -6.692
  104    HG3  ARG  15           HG3      ARG  14  -3.423  -0.350  -7.723
  105    HD2  ARG  15           HD2      ARG  14  -5.233  -2.554  -8.724
  106    HD3  ARG  15           HD3      ARG  14  -5.686  -0.857  -8.597
  107    HE   ARG  15           HE       ARG  14  -3.356  -0.915 -10.095
  108   HH11  ARG  15          HH11      ARG  14  -6.584  -2.230 -10.281
  109   HH12  ARG  15          HH12      ARG  14  -6.616  -2.228 -12.014
  110   HH21  ARG  15          HH21      ARG  14  -3.429  -0.922 -12.370
  111   HH22  ARG  15          HH22      ARG  14  -4.847  -1.495 -13.186
  112    H    SER  16           H        SER  15  -2.661  -0.226  -5.423
  113    HA   SER  16           HA       SER  15  -1.434   1.899  -6.831
  114    HB2  SER  16           HB2      SER  15  -2.684   1.827  -4.081
  115    HB3  SER  16           HB3      SER  15  -2.213   3.297  -4.929
  116    HG   SER  16           HG       SER  15  -3.678   2.775  -6.553
  117    H    CYS  17           H        CYS  16  -0.605   0.216  -3.838
  118    HA   CYS  17           HA       CYS  16   1.676   1.913  -3.291
  119    HB2  CYS  17           HB2      CYS  16   0.381  -0.443  -2.011
  120    HB3  CYS  17           HB3      CYS  16   2.067  -0.122  -1.624
  121    HN1  NH2  18           HN1      NH2 102   1.198  -0.509  -5.566
  122    HN2  NH2  18           HN2      NH2 102   2.802  -1.062  -5.690
  Start of MODEL    8
    1    H1   ACE   1           H1       ACE   0  -5.910   8.989  -7.349
    2    H2   ACE   1           H2       ACE   0  -6.477   7.386  -6.881
    3    H3   ACE   1           H3       ACE   0  -5.580   7.600  -8.384
    4    H    GLY   2           H1       GLY   1  -5.325   7.752  -4.857
    5    HA2  GLY   2           HA2      GLY   1  -2.417   7.241  -5.115
    6    HA3  GLY   2           HA3      GLY   1  -3.092   8.266  -3.847
    7    H    CYS   3           H        CYS   2  -1.500   5.788  -3.597
    8    HA   CYS   3           HA       CYS   2  -3.105   3.597  -2.904
    9    HB2  CYS   3           HB2      CYS   2  -0.639   3.515  -3.265
   10    HB3  CYS   3           HB3      CYS   2  -0.428   4.313  -1.705
   11    HA   PRO   4           HA       PRO   3  -4.831   5.306   0.882
   12    HB2  PRO   4           HB2      PRO   3  -6.025   3.057   1.863
   13    HB3  PRO   4           HB3      PRO   3  -6.694   4.005   0.520
   14    HG2  PRO   4           HG2      PRO   3  -5.127   1.472   0.452
   15    HG3  PRO   4           HG3      PRO   3  -6.537   1.960  -0.510
   16    HD2  PRO   4           HD2      PRO   3  -3.980   2.067  -1.470
   17    HD3  PRO   4           HD3      PRO   3  -5.267   3.168  -2.014
   18    H    CYS   5           H        CYS   4  -2.613   2.647   0.746
   19    HA   CYS   5           HA       CYS   4  -2.205   2.468   3.611
   20    HB2  CYS   5           HB2      CYS   4  -1.139   1.115   1.195
   21    HB3  CYS   5           HB3      CYS   4  -0.087   1.164   2.611
   22    H    ILE   6           H        ILE   5  -0.804   3.616   4.798
   23    HA   ILE   6           HA       ILE   5   0.591   5.829   3.748
   24    HB   ILE   6           HB       ILE   5   0.890   4.347   6.370
   25   HG12  ILE   6          HG12      ILE   5  -0.407   7.011   5.739
   26   HG13  ILE   6          HG13      ILE   5  -1.303   5.492   5.806
   27   HG21  ILE   6          HG21      ILE   5   2.022   6.466   7.113
   28   HG22  ILE   6          HG22      ILE   5   2.046   6.989   5.430
   29   HG23  ILE   6          HG23      ILE   5   2.953   5.560   5.920
   30   HD11  ILE   6          HD11      ILE   5  -0.411   5.161   8.140
   31   HD12  ILE   6          HD12      ILE   5  -1.491   6.544   7.971
   32   HD13  ILE   6          HD13      ILE   5   0.253   6.791   8.057
   33    H    TRP   7           H        TRP   6   1.699   2.605   4.758
   34    HA   TRP   7           HA       TRP   6   4.299   3.159   3.503
   35    HB2  TRP   7           HB2      TRP   6   3.520   1.079   5.548
   36    HB3  TRP   7           HB3      TRP   6   5.128   1.237   4.831
   37    HD1  TRP   7           HD1      TRP   6   2.717   2.992   7.212
   38    HE1  TRP   7           HE1      TRP   6   4.005   4.813   8.507
   39    HE3  TRP   7           HE3      TRP   6   7.191   2.820   4.761
   40    HZ2  TRP   7           HZ2      TRP   6   6.592   6.035   8.503
   41    HZ3  TRP   7           HZ3      TRP   6   9.050   4.319   5.426
   42    HH2  TRP   7           HH2      TRP   6   8.757   5.925   7.293
   43    HA   PRO   8           HA       PRO   7   2.521   0.384   0.382
   44    HB2  PRO   8           HB2      PRO   7   4.520   0.635  -1.466
   45    HB3  PRO   8           HB3      PRO   7   3.243   1.844  -1.254
   46    HG2  PRO   8           HG2      PRO   7   6.032   1.842  -0.208
   47    HG3  PRO   8           HG3      PRO   7   5.098   3.165  -0.928
   48    HD2  PRO   8           HD2      PRO   7   5.414   2.923   1.753
   49    HD3  PRO   8           HD3      PRO   7   3.933   3.595   1.032
   50    H    GLU   9           H        GLU   8   5.652   0.146   1.895
   51    HA   GLU   9           HA       GLU   8   6.352  -2.400   0.799
   52    HB2  GLU   9           HB2      GLU   8   8.129  -2.407   2.398
   53    HB3  GLU   9           HB3      GLU   8   7.955  -0.746   1.843
   54    HG2  GLU   9           HG2      GLU   8   6.494  -0.309   3.847
   55    HG3  GLU   9           HG3      GLU   8   6.902  -1.925   4.422
   56    H    LEU  10           H        LEU   9   4.208  -1.360   3.306
   57    HA   LEU  10           HA       LEU   9   4.101  -4.054   4.484
   58    HB2  LEU  10           HB2      LEU   9   2.743  -1.499   5.383
   59    HB3  LEU  10           HB3      LEU   9   2.818  -3.021   6.277
   60    HG   LEU  10           HG       LEU   9   5.211  -1.339   5.476
   61   HD11  LEU  10          HD11      LEU   9   4.010  -0.222   7.233
   62   HD12  LEU  10          HD12      LEU   9   5.394  -1.026   7.974
   63   HD13  LEU  10          HD13      LEU   9   3.785  -1.733   8.115
   64   HD21  LEU  10          HD21      LEU   9   5.864  -3.650   5.563
   65   HD22  LEU  10          HD22      LEU   9   4.923  -3.922   7.032
   66   HD23  LEU  10          HD23      LEU   9   6.378  -2.926   7.087
   67    H    CYS  11           H        CYS  10   2.654  -2.408   1.992
   68    HA   CYS  11           HA       CYS  10   0.184  -4.006   2.248
   69    HB2  CYS  11           HB2      CYS  10   0.463  -1.161   1.271
   70    HB3  CYS  11           HB3      CYS  10  -0.975  -2.144   1.029
   71    HA   PRO  12           HA       PRO  11   2.501  -4.849  -1.720
   72    HB2  PRO  12           HB2      PRO  11   2.527  -7.566  -1.424
   73    HB3  PRO  12           HB3      PRO  11   3.786  -6.504  -0.758
   74    HG2  PRO  12           HG2      PRO  11   1.433  -7.735   0.604
   75    HG3  PRO  12           HG3      PRO  11   3.107  -7.567   1.172
   76    HD2  PRO  12           HD2      PRO  11   1.125  -5.887   1.991
   77    HD3  PRO  12           HD3      PRO  11   2.814  -5.355   1.816
   78    H    TRP  13           H        TRP  12  -0.394  -5.963  -0.192
   79    HA   TRP  13           HA       TRP  12  -1.532  -7.228  -2.516
   80    HB2  TRP  13           HB2      TRP  12  -3.661  -7.137  -1.079
   81    HB3  TRP  13           HB3      TRP  12  -2.322  -8.118  -0.488
   82    HD1  TRP  13           HD1      TRP  12  -4.011  -4.717   0.086
   83    HE1  TRP  13           HE1      TRP  12  -3.414  -3.895   2.453
   84    HE3  TRP  13           HE3      TRP  12  -0.708  -8.350   1.466
   85    HZ2  TRP  13           HZ2      TRP  12  -1.758  -4.683   4.652
   86    HZ3  TRP  13           HZ3      TRP  12   0.363  -8.297   3.701
   87    HH2  TRP  13           HH2      TRP  12  -0.157  -6.469   5.294
   88    H    ILE  14           H        ILE  13  -0.914  -4.060  -1.939
   89    HA   ILE  14           HA       ILE  13  -3.394  -3.121  -3.247
   90    HB   ILE  14           HB       ILE  13  -1.250  -1.503  -1.862
   91   HG12  ILE  14          HG12      ILE  13  -2.444  -3.005  -0.297
   92   HG13  ILE  14          HG13      ILE  13  -2.786  -1.309   0.016
   93   HG21  ILE  14          HG21      ILE  13  -3.112   0.218  -1.868
   94   HG22  ILE  14          HG22      ILE  13  -3.974  -0.845  -2.979
   95   HG23  ILE  14          HG23      ILE  13  -2.425  -0.152  -3.447
   96   HD11  ILE  14          HD11      ILE  13  -4.925  -1.494  -1.177
   97   HD12  ILE  14          HD12      ILE  13  -4.841  -2.718   0.085
   98   HD13  ILE  14          HD13      ILE  13  -4.571  -3.169  -1.590
   99    H    ARG  15           H        ARG  14  -3.247  -2.796  -5.370
  100    HA   ARG  15           HA       ARG  14  -0.829  -2.939  -6.831
  101    HB2  ARG  15           HB2      ARG  14  -2.177  -2.365  -8.756
  102    HB3  ARG  15           HB3      ARG  14  -3.109  -3.454  -7.726
  103    HG2  ARG  15           HG2      ARG  14  -4.237  -1.478  -6.712
  104    HG3  ARG  15           HG3      ARG  14  -3.362  -0.433  -7.828
  105    HD2  ARG  15           HD2      ARG  14  -5.221  -2.669  -8.662
  106    HD3  ARG  15           HD3      ARG  14  -5.653  -0.962  -8.626
  107    HE   ARG  15           HE       ARG  14  -3.342  -1.174 -10.164
  108   HH11  ARG  15          HH11      ARG  14  -6.635  -2.324 -10.236
  109   HH12  ARG  15          HH12      ARG  14  -6.701  -2.389 -11.963
  110   HH21  ARG  15          HH21      ARG  14  -3.459  -1.265 -12.425
  111   HH22  ARG  15          HH22      ARG  14  -4.916  -1.794 -13.196
  112    H    SER  16           H        SER  15  -2.640  -0.254  -5.487
  113    HA   SER  16           HA       SER  15  -1.395   1.837  -6.920
  114    HB2  SER  16           HB2      SER  15  -3.462   2.159  -5.638
  115    HB3  SER  16           HB3      SER  15  -2.584   1.868  -4.139
  116    HG   SER  16           HG       SER  15  -2.584   4.069  -5.830
  117    H    CYS  17           H        CYS  16  -0.605   0.286  -3.837
  118    HA   CYS  17           HA       CYS  16   1.673   1.966  -3.310
  119    HB2  CYS  17           HB2      CYS  16   0.403  -0.413  -2.058
  120    HB3  CYS  17           HB3      CYS  16   2.081  -0.089  -1.664
  121    HN1  NH2  18           HN1      NH2 102   1.184  -1.171  -4.900
  122    HN2  NH2  18           HN2      NH2 102   2.819  -1.400  -5.319
  Start of MODEL    9
    1    H1   ACE   1           H1       ACE   0  -2.837   5.787  -8.580
    2    H2   ACE   1           H2       ACE   0  -1.785   4.796  -7.569
    3    H3   ACE   1           H3       ACE   0  -1.411   6.499  -7.825
    4    H    GLY   2           H1       GLY   1  -1.601   7.380  -5.811
    5    HA2  GLY   2           HA2      GLY   1  -2.636   8.198  -3.917
    6    HA3  GLY   2           HA3      GLY   1  -4.171   7.836  -4.707
    7    H    CYS   3           H        CYS   2  -1.537   5.644  -3.791
    8    HA   CYS   3           HA       CYS   2  -3.144   3.578  -2.935
    9    HB2  CYS   3           HB2      CYS   2  -0.700   3.415  -3.338
   10    HB3  CYS   3           HB3      CYS   2  -0.432   4.249  -1.804
   11    HA   PRO   4           HA       PRO   3  -4.817   5.290   0.870
   12    HB2  PRO   4           HB2      PRO   3  -5.964   3.008   1.862
   13    HB3  PRO   4           HB3      PRO   3  -6.681   3.982   0.563
   14    HG2  PRO   4           HG2      PRO   3  -5.127   1.449   0.397
   15    HG3  PRO   4           HG3      PRO   3  -6.547   1.971  -0.528
   16    HD2  PRO   4           HD2      PRO   3  -4.003   2.073  -1.525
   17    HD3  PRO   4           HD3      PRO   3  -5.289   3.189  -2.034
   18    H    CYS   5           H        CYS   4  -2.636   2.575   0.748
   19    HA   CYS   5           HA       CYS   4  -2.186   2.460   3.602
   20    HB2  CYS   5           HB2      CYS   4  -1.164   1.050   1.200
   21    HB3  CYS   5           HB3      CYS   4  -0.086   1.124   2.596
   22    H    ILE   6           H        ILE   5  -0.797   3.629   4.752
   23    HA   ILE   6           HA       ILE   5   0.619   5.813   3.658
   24    HB   ILE   6           HB       ILE   5   0.890   4.405   6.320
   25   HG12  ILE   6          HG12      ILE   5  -0.393   7.054   5.598
   26   HG13  ILE   6          HG13      ILE   5  -1.294   5.539   5.705
   27   HG21  ILE   6          HG21      ILE   5   2.958   5.579   5.893
   28   HG22  ILE   6          HG22      ILE   5   2.003   6.582   6.985
   29   HG23  ILE   6          HG23      ILE   5   2.092   6.984   5.271
   30   HD11  ILE   6          HD11      ILE   5   0.397   6.638   7.965
   31   HD12  ILE   6          HD12      ILE   5  -0.727   5.281   8.036
   32   HD13  ILE   6          HD13      ILE   5  -1.338   6.922   7.819
   33    H    TRP   7           H        TRP   6   1.695   2.600   4.747
   34    HA   TRP   7           HA       TRP   6   4.307   3.140   3.505
   35    HB2  TRP   7           HB2      TRP   6   3.541   1.056   5.545
   36    HB3  TRP   7           HB3      TRP   6   5.157   1.268   4.861
   37    HD1  TRP   7           HD1      TRP   6   2.617   2.949   7.159
   38    HE1  TRP   7           HE1      TRP   6   3.807   4.789   8.515
   39    HE3  TRP   7           HE3      TRP   6   7.200   2.903   4.889
   40    HZ2  TRP   7           HZ2      TRP   6   6.359   6.069   8.629
   41    HZ3  TRP   7           HZ3      TRP   6   8.988   4.448   5.644
   42    HH2  TRP   7           HH2      TRP   6   8.572   6.028   7.508
   43    HA   PRO   8           HA       PRO   7   2.499   0.356   0.388
   44    HB2  PRO   8           HB2      PRO   7   4.502   0.641  -1.468
   45    HB3  PRO   8           HB3      PRO   7   3.183   1.805  -1.261
   46    HG2  PRO   8           HG2      PRO   7   5.982   1.926  -0.255
   47    HG3  PRO   8           HG3      PRO   7   4.966   3.206  -0.939
   48    HD2  PRO   8           HD2      PRO   7   5.365   2.943   1.736
   49    HD3  PRO   8           HD3      PRO   7   3.856   3.590   1.054
   50    H    GLU   9           H        GLU   8   5.621   0.141   1.897
   51    HA   GLU   9           HA       GLU   8   6.332  -2.410   0.809
   52    HB2  GLU   9           HB2      GLU   8   8.120  -2.379   2.403
   53    HB3  GLU   9           HB3      GLU   8   7.931  -0.734   1.799
   54    HG2  GLU   9           HG2      GLU   8   6.470  -0.252   3.791
   55    HG3  GLU   9           HG3      GLU   8   6.903  -1.843   4.417
   56    H    LEU  10           H        LEU   9   4.187  -1.346   3.290
   57    HA   LEU  10           HA       LEU   9   4.096  -4.014   4.528
   58    HB2  LEU  10           HB2      LEU   9   2.749  -1.427   5.351
   59    HB3  LEU  10           HB3      LEU   9   2.760  -2.932   6.275
   60    HG   LEU  10           HG       LEU   9   5.220  -1.337   5.503
   61   HD11  LEU  10          HD11      LEU   9   5.350  -0.792   7.896
   62   HD12  LEU  10          HD12      LEU   9   3.855  -1.680   8.186
   63   HD13  LEU  10          HD13      LEU   9   3.833  -0.212   7.209
   64   HD21  LEU  10          HD21      LEU   9   5.835  -3.642   5.683
   65   HD22  LEU  10          HD22      LEU   9   4.801  -3.879   7.090
   66   HD23  LEU  10          HD23      LEU   9   6.270  -2.914   7.228
   67    H    CYS  11           H        CYS  10   2.639  -2.396   2.012
   68    HA   CYS  11           HA       CYS  10   0.194  -4.028   2.267
   69    HB2  CYS  11           HB2      CYS  10   0.440  -1.173   1.313
   70    HB3  CYS  11           HB3      CYS  10  -0.993  -2.165   1.060
   71    HA   PRO  12           HA       PRO  11   2.512  -4.821  -1.722
   72    HB2  PRO  12           HB2      PRO  11   2.559  -7.540  -1.456
   73    HB3  PRO  12           HB3      PRO  11   3.808  -6.476  -0.775
   74    HG2  PRO  12           HG2      PRO  11   1.458  -7.735   0.567
   75    HG3  PRO  12           HG3      PRO  11   3.130  -7.569   1.141
   76    HD2  PRO  12           HD2      PRO  11   1.142  -5.905   1.979
   77    HD3  PRO  12           HD3      PRO  11   2.830  -5.361   1.805
   78    H    TRP  13           H        TRP  12  -0.393  -5.936  -0.233
   79    HA   TRP  13           HA       TRP  12  -1.491  -7.185  -2.591
   80    HB2  TRP  13           HB2      TRP  12  -3.636  -7.140  -1.162
   81    HB3  TRP  13           HB3      TRP  12  -2.299  -8.144  -0.603
   82    HD1  TRP  13           HD1      TRP  12  -4.008  -4.785   0.094
   83    HE1  TRP  13           HE1      TRP  12  -3.390  -4.028   2.479
   84    HE3  TRP  13           HE3      TRP  12  -0.665  -8.434   1.324
   85    HZ2  TRP  13           HZ2      TRP  12  -1.701  -4.871   4.629
   86    HZ3  TRP  13           HZ3      TRP  12   0.427  -8.443   3.548
   87    HH2  TRP  13           HH2      TRP  12  -0.088  -6.667   5.202
   88    H    ILE  14           H        ILE  13  -0.898  -4.030  -1.952
   89    HA   ILE  14           HA       ILE  13  -3.390  -3.083  -3.235
   90    HB   ILE  14           HB       ILE  13  -1.277  -1.503  -1.777
   91   HG12  ILE  14          HG12      ILE  13  -2.482  -3.059  -0.284
   92   HG13  ILE  14          HG13      ILE  13  -2.830  -1.375   0.085
   93   HG21  ILE  14          HG21      ILE  13  -2.394  -0.066  -3.288
   94   HG22  ILE  14          HG22      ILE  13  -3.179   0.194  -1.735
   95   HG23  ILE  14          HG23      ILE  13  -3.959  -0.806  -2.956
   96   HD11  ILE  14          HD11      ILE  13  -4.883  -2.776   0.096
   97   HD12  ILE  14          HD12      ILE  13  -4.600  -3.196  -1.589
   98   HD13  ILE  14          HD13      ILE  13  -4.958  -1.525  -1.142
   99    H    ARG  15           H        ARG  14  -3.193  -2.871  -5.363
  100    HA   ARG  15           HA       ARG  14  -0.786  -2.877  -6.802
  101    HB2  ARG  15           HB2      ARG  14  -2.139  -2.301  -8.727
  102    HB3  ARG  15           HB3      ARG  14  -3.037  -3.440  -7.724
  103    HG2  ARG  15           HG2      ARG  14  -4.261  -1.546  -6.694
  104    HG3  ARG  15           HG3      ARG  14  -3.392  -0.424  -7.736
  105    HD2  ARG  15           HD2      ARG  14  -5.159  -2.678  -8.713
  106    HD3  ARG  15           HD3      ARG  14  -5.629  -0.982  -8.638
  107    HE   ARG  15           HE       ARG  14  -3.277  -1.061 -10.103
  108   HH11  ARG  15          HH11      ARG  14  -6.489  -2.404 -10.319
  109   HH12  ARG  15          HH12      ARG  14  -6.485  -2.443 -12.047
  110   HH21  ARG  15          HH21      ARG  14  -3.304  -1.124 -12.366
  111   HH22  ARG  15          HH22      ARG  14  -4.699  -1.725 -13.199
  112    H    SER  16           H        SER  15  -2.658  -0.257  -5.431
  113    HA   SER  16           HA       SER  15  -1.442   1.868  -6.838
  114    HB2  SER  16           HB2      SER  15  -2.726   1.807  -4.105
  115    HB3  SER  16           HB3      SER  15  -2.245   3.275  -4.944
  116    HG   SER  16           HG       SER  15  -4.517   2.207  -5.164
  117    H    CYS  17           H        CYS  16  -0.587   0.157  -3.876
  118    HA   CYS  17           HA       CYS  16   1.648   1.913  -3.296
  119    HB2  CYS  17           HB2      CYS  16   0.384  -0.467  -2.037
  120    HB3  CYS  17           HB3      CYS  16   2.052  -0.122  -1.628
  121    HN1  NH2  18           HN1      NH2 102   1.155  -1.184  -4.936
  122    HN2  NH2  18           HN2      NH2 102   2.794  -1.434  -5.326
  Start of MODEL   10
    1    H1   ACE   1           H1       ACE   0  -6.625   9.548  -4.959
    2    H2   ACE   1           H2       ACE   0  -6.543   9.029  -6.642
    3    H3   ACE   1           H3       ACE   0  -5.954  10.625  -6.181
    4    H    GLY   2           H1       GLY   1  -5.423   7.608  -4.415
    5    HA2  GLY   2           HA2      GLY   1  -2.861   7.004  -5.429
    6    HA3  GLY   2           HA3      GLY   1  -2.679   8.040  -4.015
    7    H    CYS   3           H        CYS   2  -1.549   5.747  -3.631
    8    HA   CYS   3           HA       CYS   2  -3.132   3.562  -2.892
    9    HB2  CYS   3           HB2      CYS   2  -0.696   3.415  -3.277
   10    HB3  CYS   3           HB3      CYS   2  -0.433   4.307  -1.777
   11    HA   PRO   4           HA       PRO   3  -4.881   5.226   0.894
   12    HB2  PRO   4           HB2      PRO   3  -5.996   2.925   1.862
   13    HB3  PRO   4           HB3      PRO   3  -6.704   3.864   0.531
   14    HG2  PRO   4           HG2      PRO   3  -5.046   1.389   0.432
   15    HG3  PRO   4           HG3      PRO   3  -6.484   1.828  -0.514
   16    HD2  PRO   4           HD2      PRO   3  -3.951   2.037  -1.505
   17    HD3  PRO   4           HD3      PRO   3  -5.272   3.112  -2.014
   18    H    CYS   5           H        CYS   4  -2.591   2.633   0.730
   19    HA   CYS   5           HA       CYS   4  -2.146   2.505   3.601
   20    HB2  CYS   5           HB2      CYS   4  -1.143   1.064   1.203
   21    HB3  CYS   5           HB3      CYS   4  -0.083   1.129   2.613
   22    H    ILE   6           H        ILE   5  -0.768   3.734   4.698
   23    HA   ILE   6           HA       ILE   5   0.687   5.847   3.526
   24    HB   ILE   6           HB       ILE   5   0.932   4.529   6.233
   25   HG12  ILE   6          HG12      ILE   5  -0.275   7.188   5.424
   26   HG13  ILE   6          HG13      ILE   5  -1.218   5.703   5.588
   27   HG21  ILE   6          HG21      ILE   5   2.240   7.002   5.075
   28   HG22  ILE   6          HG22      ILE   5   3.034   5.606   5.806
   29   HG23  ILE   6          HG23      ILE   5   2.103   6.716   6.809
   30   HD11  ILE   6          HD11      ILE   5  -1.279   7.077   7.662
   31   HD12  ILE   6          HD12      ILE   5   0.474   6.933   7.786
   32   HD13  ILE   6          HD13      ILE   5  -0.542   5.498   7.933
   33    H    TRP   7           H        TRP   6   1.701   2.656   4.718
   34    HA   TRP   7           HA       TRP   6   4.326   3.116   3.480
   35    HB2  TRP   7           HB2      TRP   6   3.495   1.063   5.521
   36    HB3  TRP   7           HB3      TRP   6   5.123   1.237   4.854
   37    HD1  TRP   7           HD1      TRP   6   2.637   2.901   7.197
   38    HE1  TRP   7           HE1      TRP   6   3.837   4.759   8.519
   39    HE3  TRP   7           HE3      TRP   6   7.134   2.949   4.772
   40    HZ2  TRP   7           HZ2      TRP   6   6.366   6.090   8.546
   41    HZ3  TRP   7           HZ3      TRP   6   8.918   4.528   5.464
   42    HH2  TRP   7           HH2      TRP   6   8.538   6.097   7.347
   43    HA   PRO   8           HA       PRO   7   2.513   0.332   0.369
   44    HB2  PRO   8           HB2      PRO   7   4.524   0.573  -1.472
   45    HB3  PRO   8           HB3      PRO   7   3.255   1.792  -1.263
   46    HG2  PRO   8           HG2      PRO   7   6.045   1.769  -0.201
   47    HG3  PRO   8           HG3      PRO   7   5.123   3.097  -0.935
   48    HD2  PRO   8           HD2      PRO   7   5.415   2.869   1.748
   49    HD3  PRO   8           HD3      PRO   7   3.943   3.544   1.012
   50    H    GLU   9           H        GLU   8   5.615   0.104   1.913
   51    HA   GLU   9           HA       GLU   8   6.334  -2.461   0.868
   52    HB2  GLU   9           HB2      GLU   8   8.097  -2.415   2.482
   53    HB3  GLU   9           HB3      GLU   8   7.911  -0.771   1.879
   54    HG2  GLU   9           HG2      GLU   8   6.349  -0.371   3.863
   55    HG3  GLU   9           HG3      GLU   8   6.943  -1.902   4.503
   56    H    LEU  10           H        LEU   9   4.163  -1.371   3.321
   57    HA   LEU  10           HA       LEU   9   4.048  -4.034   4.566
   58    HB2  LEU  10           HB2      LEU   9   2.724  -1.428   5.367
   59    HB3  LEU  10           HB3      LEU   9   2.672  -2.937   6.285
   60    HG   LEU  10           HG       LEU   9   5.213  -1.447   5.568
   61   HD11  LEU  10          HD11      LEU   9   4.045  -0.112   7.170
   62   HD12  LEU  10          HD12      LEU   9   5.242  -1.030   8.085
   63   HD13  LEU  10          HD13      LEU   9   3.551  -1.532   8.092
   64   HD21  LEU  10          HD21      LEU   9   6.122  -3.015   7.379
   65   HD22  LEU  10          HD22      LEU   9   5.704  -3.772   5.842
   66   HD23  LEU  10          HD23      LEU   9   4.611  -3.912   7.219
   67    H    CYS  11           H        CYS  10   2.598  -2.372   2.058
   68    HA   CYS  11           HA       CYS  10   0.159  -4.024   2.277
   69    HB2  CYS  11           HB2      CYS  10   0.417  -1.167   1.324
   70    HB3  CYS  11           HB3      CYS  10  -1.013  -2.155   1.062
   71    HA   PRO  12           HA       PRO  11   2.540  -4.794  -1.679
   72    HB2  PRO  12           HB2      PRO  11   2.648  -7.507  -1.392
   73    HB3  PRO  12           HB3      PRO  11   3.864  -6.407  -0.704
   74    HG2  PRO  12           HG2      PRO  11   1.533  -7.720   0.618
   75    HG3  PRO  12           HG3      PRO  11   3.191  -7.501   1.214
   76    HD2  PRO  12           HD2      PRO  11   1.138  -5.890   2.005
   77    HD3  PRO  12           HD3      PRO  11   2.813  -5.306   1.866
   78    H    TRP  13           H        TRP  12  -0.372  -5.904  -0.220
   79    HA   TRP  13           HA       TRP  12  -1.410  -7.206  -2.585
   80    HB2  TRP  13           HB2      TRP  12  -3.564  -7.216  -1.180
   81    HB3  TRP  13           HB3      TRP  12  -2.204  -8.170  -0.588
   82    HD1  TRP  13           HD1      TRP  12  -3.997  -4.835   0.021
   83    HE1  TRP  13           HE1      TRP  12  -3.449  -4.034   2.408
   84    HE3  TRP  13           HE3      TRP  12  -0.626  -8.411   1.386
   85    HZ2  TRP  13           HZ2      TRP  12  -1.802  -4.818   4.611
   86    HZ3  TRP  13           HZ3      TRP  12   0.412  -8.368   3.636
   87    HH2  TRP  13           HH2      TRP  12  -0.172  -6.578   5.251
   88    H    ILE  14           H        ILE  13  -0.847  -4.061  -2.005
   89    HA   ILE  14           HA       ILE  13  -3.359  -3.139  -3.261
   90    HB   ILE  14           HB       ILE  13  -1.246  -1.537  -1.829
   91   HG12  ILE  14          HG12      ILE  13  -2.444  -3.080  -0.319
   92   HG13  ILE  14          HG13      ILE  13  -2.807  -1.396   0.029
   93   HG21  ILE  14          HG21      ILE  13  -2.398  -0.135  -3.379
   94   HG22  ILE  14          HG22      ILE  13  -3.110   0.174  -1.801
   95   HG23  ILE  14          HG23      ILE  13  -3.953  -0.848  -2.962
   96   HD11  ILE  14          HD11      ILE  13  -4.558  -3.263  -1.613
   97   HD12  ILE  14          HD12      ILE  13  -4.930  -1.586  -1.218
   98   HD13  ILE  14          HD13      ILE  13  -4.853  -2.796   0.056
   99    H    ARG  15           H        ARG  14  -3.256  -2.735  -5.357
  100    HA   ARG  15           HA       ARG  14  -0.869  -2.830  -6.865
  101    HB2  ARG  15           HB2      ARG  14  -2.257  -2.206  -8.747
  102    HB3  ARG  15           HB3      ARG  14  -3.154  -3.338  -7.735
  103    HG2  ARG  15           HG2      ARG  14  -4.310  -1.430  -6.652
  104    HG3  ARG  15           HG3      ARG  14  -3.446  -0.317  -7.706
  105    HD2  ARG  15           HD2      ARG  14  -5.252  -2.533  -8.686
  106    HD3  ARG  15           HD3      ARG  14  -5.738  -0.847  -8.525
  107    HE   ARG  15           HE       ARG  14  -3.415  -0.897 -10.076
  108   HH11  ARG  15          HH11      ARG  14  -6.701  -2.057 -10.220
  109   HH12  ARG  15          HH12      ARG  14  -6.781  -1.978 -11.943
  110   HH21  ARG  15          HH21      ARG  14  -3.554  -0.801 -12.336
  111   HH22  ARG  15          HH22      ARG  14  -5.017  -1.272 -13.135
  112    H    SER  16           H        SER  15  -2.674  -0.196  -5.423
  113    HA   SER  16           HA       SER  15  -1.451   1.930  -6.826
  114    HB2  SER  16           HB2      SER  15  -2.712   1.841  -4.084
  115    HB3  SER  16           HB3      SER  15  -2.227   3.320  -4.907
  116    HG   SER  16           HG       SER  15  -4.501   2.141  -5.135
  117    H    CYS  17           H        CYS  16  -0.602   0.236  -3.850
  118    HA   CYS  17           HA       CYS  16   1.673   1.941  -3.300
  119    HB2  CYS  17           HB2      CYS  16   0.358  -0.389  -2.012
  120    HB3  CYS  17           HB3      CYS  16   2.040  -0.106  -1.630
  121    HN1  NH2  18           HN1      NH2 102   1.112  -0.823  -5.293
  122    HN2  NH2  18           HN2      NH2 102   2.745  -1.251  -5.529
  Start of MODEL   11
    1    H1   ACE   1           H1       ACE   0  -7.056   7.522  -6.096
    2    H2   ACE   1           H2       ACE   0  -6.755   6.438  -7.456
    3    H3   ACE   1           H3       ACE   0  -6.170   8.101  -7.506
    4    H    GLY   2           H1       GLY   1  -5.053   8.398  -5.013
    5    HA2  GLY   2           HA2      GLY   1  -2.557   7.042  -5.304
    6    HA3  GLY   2           HA3      GLY   1  -3.013   8.118  -3.982
    7    H    CYS   3           H        CYS   2  -1.551   5.713  -3.647
    8    HA   CYS   3           HA       CYS   2  -3.142   3.521  -2.894
    9    HB2  CYS   3           HB2      CYS   2  -0.692   3.396  -3.286
   10    HB3  CYS   3           HB3      CYS   2  -0.443   4.280  -1.780
   11    HA   PRO   4           HA       PRO   3  -4.832   5.276   0.872
   12    HB2  PRO   4           HB2      PRO   3  -5.984   3.029   1.908
   13    HB3  PRO   4           HB3      PRO   3  -6.685   3.945   0.557
   14    HG2  PRO   4           HG2      PRO   3  -5.078   1.434   0.511
   15    HG3  PRO   4           HG3      PRO   3  -6.513   1.879  -0.433
   16    HD2  PRO   4           HD2      PRO   3  -3.986   2.010  -1.447
   17    HD3  PRO   4           HD3      PRO   3  -5.294   3.091  -1.975
   18    H    CYS   5           H        CYS   4  -2.614   2.598   0.766
   19    HA   CYS   5           HA       CYS   4  -2.165   2.507   3.626
   20    HB2  CYS   5           HB2      CYS   4  -1.101   1.091   1.237
   21    HB3  CYS   5           HB3      CYS   4  -0.073   1.156   2.670
   22    H    ILE   6           H        ILE   5  -0.755   3.688   4.763
   23    HA   ILE   6           HA       ILE   5   0.646   5.856   3.631
   24    HB   ILE   6           HB       ILE   5   0.940   4.462   6.301
   25   HG12  ILE   6          HG12      ILE   5  -0.319   7.123   5.577
   26   HG13  ILE   6          HG13      ILE   5  -1.236   5.621   5.706
   27   HG21  ILE   6          HG21      ILE   5   2.093   6.614   6.952
   28   HG22  ILE   6          HG22      ILE   5   2.157   7.026   5.239
   29   HG23  ILE   6          HG23      ILE   5   3.019   5.610   5.838
   30   HD11  ILE   6          HD11      ILE   5  -1.369   6.826   7.825
   31   HD12  ILE   6          HD12      ILE   5   0.390   6.925   7.910
   32   HD13  ILE   6          HD13      ILE   5  -0.413   5.362   8.047
   33    H    TRP   7           H        TRP   6   1.720   2.651   4.719
   34    HA   TRP   7           HA       TRP   6   4.337   3.140   3.463
   35    HB2  TRP   7           HB2      TRP   6   3.505   1.091   5.522
   36    HB3  TRP   7           HB3      TRP   6   5.127   1.241   4.836
   37    HD1  TRP   7           HD1      TRP   6   2.675   3.003   7.169
   38    HE1  TRP   7           HE1      TRP   6   3.934   4.842   8.467
   39    HE3  TRP   7           HE3      TRP   6   7.186   2.843   4.784
   40    HZ2  TRP   7           HZ2      TRP   6   6.512   6.083   8.491
   41    HZ3  TRP   7           HZ3      TRP   6   9.025   4.359   5.464
   42    HH2  TRP   7           HH2      TRP   6   8.694   5.978   7.314
   43    HA   PRO   8           HA       PRO   7   2.511   0.341   0.385
   44    HB2  PRO   8           HB2      PRO   7   4.509   0.540  -1.472
   45    HB3  PRO   8           HB3      PRO   7   3.245   1.767  -1.278
   46    HG2  PRO   8           HG2      PRO   7   6.041   1.752  -0.252
   47    HG3  PRO   8           HG3      PRO   7   5.111   3.077  -0.975
   48    HD2  PRO   8           HD2      PRO   7   5.455   2.848   1.710
   49    HD3  PRO   8           HD3      PRO   7   3.987   3.550   0.995
   50    H    GLU   9           H        GLU   8   5.637   0.110   1.902
   51    HA   GLU   9           HA       GLU   8   6.337  -2.458   0.864
   52    HB2  GLU   9           HB2      GLU   8   8.089  -2.440   2.505
   53    HB3  GLU   9           HB3      GLU   8   7.945  -0.802   1.876
   54    HG2  GLU   9           HG2      GLU   8   6.438  -0.280   3.836
   55    HG3  GLU   9           HG3      GLU   8   6.857  -1.862   4.489
   56    H    LEU  10           H        LEU   9   4.167  -1.362   3.322
   57    HA   LEU  10           HA       LEU   9   4.031  -4.025   4.563
   58    HB2  LEU  10           HB2      LEU   9   2.671  -1.438   5.364
   59    HB3  LEU  10           HB3      LEU   9   2.692  -2.940   6.292
   60    HG   LEU  10           HG       LEU   9   5.143  -1.328   5.529
   61   HD11  LEU  10          HD11      LEU   9   3.875  -0.139   7.207
   62   HD12  LEU  10          HD12      LEU   9   5.249  -0.906   8.003
   63   HD13  LEU  10          HD13      LEU   9   3.641  -1.617   8.142
   64   HD21  LEU  10          HD21      LEU   9   5.750  -3.640   5.718
   65   HD22  LEU  10          HD22      LEU   9   4.734  -3.858   7.141
   66   HD23  LEU  10          HD23      LEU   9   6.205  -2.890   7.247
   67    H    CYS  11           H        CYS  10   2.604  -2.377   2.033
   68    HA   CYS  11           HA       CYS  10   0.162  -4.024   2.245
   69    HB2  CYS  11           HB2      CYS  10   0.387  -1.168   1.286
   70    HB3  CYS  11           HB3      CYS  10  -1.035  -2.177   1.064
   71    HA   PRO  12           HA       PRO  11   2.537  -4.752  -1.707
   72    HB2  PRO  12           HB2      PRO  11   2.643  -7.473  -1.443
   73    HB3  PRO  12           HB3      PRO  11   3.865  -6.379  -0.762
   74    HG2  PRO  12           HG2      PRO  11   1.560  -7.713   0.578
   75    HG3  PRO  12           HG3      PRO  11   3.220  -7.468   1.159
   76    HD2  PRO  12           HD2      PRO  11   1.135  -5.892   1.959
   77    HD3  PRO  12           HD3      PRO  11   2.807  -5.291   1.839
   78    H    TRP  13           H        TRP  12  -0.344  -5.976  -0.229
   79    HA   TRP  13           HA       TRP  12  -1.412  -7.239  -2.591
   80    HB2  TRP  13           HB2      TRP  12  -3.552  -7.259  -1.191
   81    HB3  TRP  13           HB3      TRP  12  -2.183  -8.174  -0.565
   82    HD1  TRP  13           HD1      TRP  12  -4.033  -4.848  -0.044
   83    HE1  TRP  13           HE1      TRP  12  -3.550  -4.007   2.343
   84    HE3  TRP  13           HE3      TRP  12  -0.620  -8.339   1.437
   85    HZ2  TRP  13           HZ2      TRP  12  -1.933  -4.729   4.591
   86    HZ3  TRP  13           HZ3      TRP  12   0.375  -8.241   3.705
   87    HH2  TRP  13           HH2      TRP  12  -0.277  -6.443   5.284
   88    H    ILE  14           H        ILE  13  -0.886  -4.070  -1.968
   89    HA   ILE  14           HA       ILE  13  -3.390  -3.159  -3.249
   90    HB   ILE  14           HB       ILE  13  -1.258  -1.548  -1.845
   91   HG12  ILE  14          HG12      ILE  13  -2.447  -3.061  -0.298
   92   HG13  ILE  14          HG13      ILE  13  -2.819  -1.370   0.021
   93   HG21  ILE  14          HG21      ILE  13  -3.973  -0.876  -2.969
   94   HG22  ILE  14          HG22      ILE  13  -2.421  -0.178  -3.419
   95   HG23  ILE  14          HG23      ILE  13  -3.118   0.172  -1.840
   96   HD11  ILE  14          HD11      ILE  13  -4.936  -1.589  -1.225
   97   HD12  ILE  14          HD12      ILE  13  -4.858  -2.781   0.068
   98   HD13  ILE  14          HD13      ILE  13  -4.554  -3.269  -1.593
   99    H    ARG  15           H        ARG  14  -3.283  -2.739  -5.360
  100    HA   ARG  15           HA       ARG  14  -0.891  -2.856  -6.862
  101    HB2  ARG  15           HB2      ARG  14  -2.262  -2.193  -8.750
  102    HB3  ARG  15           HB3      ARG  14  -3.168  -3.333  -7.756
  103    HG2  ARG  15           HG2      ARG  14  -4.296  -1.414  -6.635
  104    HG3  ARG  15           HG3      ARG  14  -3.450  -0.313  -7.718
  105    HD2  ARG  15           HD2      ARG  14  -5.681  -0.744  -8.592
  106    HD3  ARG  15           HD3      ARG  14  -4.479  -1.470  -9.659
  107    HE   ARG  15           HE       ARG  14  -5.331  -3.348  -7.703
  108   HH11  ARG  15          HH11      ARG  14  -6.349  -1.728 -10.619
  109   HH12  ARG  15          HH12      ARG  14  -7.411  -3.005 -11.104
  110   HH21  ARG  15          HH21      ARG  14  -6.733  -5.005  -8.355
  111   HH22  ARG  15          HH22      ARG  14  -7.627  -4.852  -9.829
  112    H    SER  16           H        SER  15  -2.661  -0.187  -5.435
  113    HA   SER  16           HA       SER  15  -1.406   1.928  -6.834
  114    HB2  SER  16           HB2      SER  15  -2.692   1.830  -4.105
  115    HB3  SER  16           HB3      SER  15  -2.184   3.313  -4.907
  116    HG   SER  16           HG       SER  15  -3.827   3.157  -6.227
  117    H    CYS  17           H        CYS  16  -0.601   0.235  -3.844
  118    HA   CYS  17           HA       CYS  16   1.686   1.916  -3.287
  119    HB2  CYS  17           HB2      CYS  16   0.352  -0.413  -2.013
  120    HB3  CYS  17           HB3      CYS  16   2.040  -0.134  -1.621
  121    HN1  NH2  18           HN1      NH2 102   1.192  -0.532  -5.536
  122    HN2  NH2  18           HN2      NH2 102   2.791  -1.102  -5.653
  Start of MODEL   12
    1    H1   ACE   1           H1       ACE   0  -6.351  10.313  -5.406
    2    H2   ACE   1           H2       ACE   0  -6.955   8.663  -5.549
    3    H3   ACE   1           H3       ACE   0  -6.377   9.518  -6.979
    4    H    GLY   2           H1       GLY   1  -5.542   7.376  -4.508
    5    HA2  GLY   2           HA2      GLY   1  -2.970   6.851  -5.508
    6    HA3  GLY   2           HA3      GLY   1  -2.805   7.912  -4.109
    7    H    CYS   3           H        CYS   2  -1.609   5.682  -3.623
    8    HA   CYS   3           HA       CYS   2  -3.165   3.472  -2.843
    9    HB2  CYS   3           HB2      CYS   2  -0.730   3.361  -3.258
   10    HB3  CYS   3           HB3      CYS   2  -0.460   4.288  -1.780
   11    HA   PRO   4           HA       PRO   3  -4.845   5.246   0.919
   12    HB2  PRO   4           HB2      PRO   3  -5.956   2.999   1.994
   13    HB3  PRO   4           HB3      PRO   3  -6.677   3.871   0.625
   14    HG2  PRO   4           HG2      PRO   3  -5.006   1.401   0.624
   15    HG3  PRO   4           HG3      PRO   3  -6.463   1.780  -0.312
   16    HD2  PRO   4           HD2      PRO   3  -3.960   1.964  -1.373
   17    HD3  PRO   4           HD3      PRO   3  -5.300   3.011  -1.891
   18    H    CYS   5           H        CYS   4  -2.623   2.579   0.810
   19    HA   CYS   5           HA       CYS   4  -2.103   2.522   3.654
   20    HB2  CYS   5           HB2      CYS   4  -1.002   1.129   1.247
   21    HB3  CYS   5           HB3      CYS   4  -0.060   1.136   2.740
   22    H    ILE   6           H        ILE   5  -0.719   3.767   4.736
   23    HA   ILE   6           HA       ILE   5   0.682   5.904   3.537
   24    HB   ILE   6           HB       ILE   5   0.995   4.573   6.239
   25   HG12  ILE   6          HG12      ILE   5  -0.256   7.222   5.464
   26   HG13  ILE   6          HG13      ILE   5  -1.180   5.728   5.635
   27   HG21  ILE   6          HG21      ILE   5   2.169   6.734   6.825
   28   HG22  ILE   6          HG22      ILE   5   2.216   7.104   5.100
   29   HG23  ILE   6          HG23      ILE   5   3.075   5.696   5.724
   30   HD11  ILE   6          HD11      ILE   5  -0.474   5.514   7.962
   31   HD12  ILE   6          HD12      ILE   5  -1.210   7.098   7.715
   32   HD13  ILE   6          HD13      ILE   5   0.544   6.945   7.810
   33    H    TRP   7           H        TRP   6   1.742   2.714   4.705
   34    HA   TRP   7           HA       TRP   6   4.352   3.173   3.425
   35    HB2  TRP   7           HB2      TRP   6   3.527   1.143   5.511
   36    HB3  TRP   7           HB3      TRP   6   5.146   1.302   4.820
   37    HD1  TRP   7           HD1      TRP   6   2.653   3.120   7.068
   38    HE1  TRP   7           HE1      TRP   6   3.896   4.958   8.380
   39    HE3  TRP   7           HE3      TRP   6   7.237   2.845   4.837
   40    HZ2  TRP   7           HZ2      TRP   6   6.490   6.155   8.469
   41    HZ3  TRP   7           HZ3      TRP   6   9.077   4.344   5.556
   42    HH2  TRP   7           HH2      TRP   6   8.708   5.995   7.368
   43    HA   PRO   8           HA       PRO   7   2.519   0.343   0.386
   44    HB2  PRO   8           HB2      PRO   7   4.501   0.538  -1.482
   45    HB3  PRO   8           HB3      PRO   7   3.265   1.792  -1.267
   46    HG2  PRO   8           HG2      PRO   7   6.067   1.707  -0.237
   47    HG3  PRO   8           HG3      PRO   7   5.176   3.049  -0.979
   48    HD2  PRO   8           HD2      PRO   7   5.484   2.846   1.706
   49    HD3  PRO   8           HD3      PRO   7   4.030   3.552   0.971
   50    H    GLU   9           H        GLU   8   5.601   0.122   1.950
   51    HA   GLU   9           HA       GLU   8   6.343  -2.441   0.921
   52    HB2  GLU   9           HB2      GLU   8   8.079  -2.390   2.569
   53    HB3  GLU   9           HB3      GLU   8   7.911  -0.752   1.942
   54    HG2  GLU   9           HG2      GLU   8   6.360  -0.279   3.892
   55    HG3  GLU   9           HG3      GLU   8   6.843  -1.842   4.552
   56    H    LEU  10           H        LEU   9   4.103  -1.365   3.314
   57    HA   LEU  10           HA       LEU   9   3.990  -4.024   4.573
   58    HB2  LEU  10           HB2      LEU   9   2.618  -1.439   5.357
   59    HB3  LEU  10           HB3      LEU   9   2.625  -2.939   6.288
   60    HG   LEU  10           HG       LEU   9   5.094  -1.346   5.537
   61   HD11  LEU  10          HD11      LEU   9   5.161  -0.591   7.797
   62   HD12  LEU  10          HD12      LEU   9   3.871  -1.692   8.281
   63   HD13  LEU  10          HD13      LEU   9   3.511  -0.309   7.247
   64   HD21  LEU  10          HD21      LEU   9   6.105  -2.899   7.312
   65   HD22  LEU  10          HD22      LEU   9   5.695  -3.652   5.771
   66   HD23  LEU  10          HD23      LEU   9   4.632  -3.859   7.162
   67    H    CYS  11           H        CYS  10   2.576  -2.404   2.028
   68    HA   CYS  11           HA       CYS  10   0.133  -4.047   2.233
   69    HB2  CYS  11           HB2      CYS  10   0.383  -1.195   1.267
   70    HB3  CYS  11           HB3      CYS  10  -1.035  -2.201   1.007
   71    HA   PRO  12           HA       PRO  11   2.523  -4.808  -1.703
   72    HB2  PRO  12           HB2      PRO  11   2.625  -7.533  -1.428
   73    HB3  PRO  12           HB3      PRO  11   3.859  -6.436  -0.774
   74    HG2  PRO  12           HG2      PRO  11   1.595  -7.782   0.613
   75    HG3  PRO  12           HG3      PRO  11   3.250  -7.480   1.172
   76    HD2  PRO  12           HD2      PRO  11   1.107  -5.949   1.953
   77    HD3  PRO  12           HD3      PRO  11   2.772  -5.325   1.856
   78    H    TRP  13           H        TRP  12  -0.377  -5.970  -0.248
   79    HA   TRP  13           HA       TRP  12  -1.435  -7.247  -2.617
   80    HB2  TRP  13           HB2      TRP  12  -3.586  -7.253  -1.225
   81    HB3  TRP  13           HB3      TRP  12  -2.228  -8.195  -0.612
   82    HD1  TRP  13           HD1      TRP  12  -4.015  -4.839  -0.054
   83    HE1  TRP  13           HE1      TRP  12  -3.507  -4.029   2.339
   84    HE3  TRP  13           HE3      TRP  12  -0.682  -8.420   1.390
   85    HZ2  TRP  13           HZ2      TRP  12  -1.897  -4.803   4.574
   86    HZ3  TRP  13           HZ3      TRP  12   0.322  -8.365   3.654
   87    HH2  TRP  13           HH2      TRP  12  -0.282  -6.562   5.247
   88    H    ILE  14           H        ILE  13  -0.863  -4.103  -2.027
   89    HA   ILE  14           HA       ILE  13  -3.362  -3.168  -3.289
   90    HB   ILE  14           HB       ILE  13  -1.229  -1.581  -1.854
   91   HG12  ILE  14          HG12      ILE  13  -2.427  -3.088  -0.330
   92   HG13  ILE  14          HG13      ILE  13  -2.836  -1.405  -0.015
   93   HG21  ILE  14          HG21      ILE  13  -3.953  -0.852  -2.956
   94   HG22  ILE  14          HG22      ILE  13  -2.394  -0.204  -3.459
   95   HG23  ILE  14          HG23      ILE  13  -3.031   0.182  -1.864
   96   HD11  ILE  14          HD11      ILE  13  -4.869  -2.780   0.010
   97   HD12  ILE  14          HD12      ILE  13  -4.501  -3.391  -1.602
   98   HD13  ILE  14          HD13      ILE  13  -4.913  -1.689  -1.375
   99    H    ARG  15           H        ARG  14  -3.250  -2.728  -5.390
  100    HA   ARG  15           HA       ARG  14  -0.848  -2.826  -6.883
  101    HB2  ARG  15           HB2      ARG  14  -2.229  -2.172  -8.773
  102    HB3  ARG  15           HB3      ARG  14  -3.115  -3.332  -7.783
  103    HG2  ARG  15           HG2      ARG  14  -4.309  -1.469  -6.674
  104    HG3  ARG  15           HG3      ARG  14  -3.441  -0.316  -7.687
  105    HD2  ARG  15           HD2      ARG  14  -5.234  -2.517  -8.736
  106    HD3  ARG  15           HD3      ARG  14  -5.706  -0.829  -8.562
  107    HE   ARG  15           HE       ARG  14  -3.362  -0.862 -10.066
  108   HH11  ARG  15          HH11      ARG  14  -6.635  -2.030 -10.304
  109   HH12  ARG  15          HH12      ARG  14  -6.668  -1.943 -12.032
  110   HH21  ARG  15          HH21      ARG  14  -3.425  -0.764 -12.323
  111   HH22  ARG  15          HH22      ARG  14  -4.861  -1.231 -13.171
  112    H    SER  16           H        SER  15  -2.644  -0.200  -5.425
  113    HA   SER  16           HA       SER  15  -1.427   1.938  -6.814
  114    HB2  SER  16           HB2      SER  15  -2.693   1.815  -4.075
  115    HB3  SER  16           HB3      SER  15  -2.217   3.306  -4.883
  116    HG   SER  16           HG       SER  15  -3.734   2.969  -6.413
  117    H    CYS  17           H        CYS  16  -0.588   0.236  -3.838
  118    HA   CYS  17           HA       CYS  16   1.681   1.945  -3.275
  119    HB2  CYS  17           HB2      CYS  16   0.350  -0.382  -1.997
  120    HB3  CYS  17           HB3      CYS  16   2.042  -0.120  -1.615
  121    HN1  NH2  18           HN1      NH2 102   1.126  -1.112  -4.947
  122    HN2  NH2  18           HN2      NH2 102   2.760  -1.412  -5.316
  Start of MODEL   13
    1    H1   ACE   1           H1       ACE   0  -6.517  10.067  -5.495
    2    H2   ACE   1           H2       ACE   0  -7.361   9.353  -4.121
    3    H3   ACE   1           H3       ACE   0  -7.051   8.388  -5.563
    4    H    GLY   2           H1       GLY   1  -5.035   7.466  -5.872
    5    HA2  GLY   2           HA2      GLY   1  -2.772   7.016  -5.439
    6    HA3  GLY   2           HA3      GLY   1  -2.850   8.084  -4.037
    7    H    CYS   3           H        CYS   2  -1.564   5.769  -3.648
    8    HA   CYS   3           HA       CYS   2  -3.146   3.568  -2.903
    9    HB2  CYS   3           HB2      CYS   2  -0.713   3.415  -3.301
   10    HB3  CYS   3           HB3      CYS   2  -0.437   4.326  -1.816
   11    HA   PRO   4           HA       PRO   3  -4.842   5.314   0.870
   12    HB2  PRO   4           HB2      PRO   3  -5.990   3.058   1.889
   13    HB3  PRO   4           HB3      PRO   3  -6.689   3.971   0.535
   14    HG2  PRO   4           HG2      PRO   3  -5.061   1.474   0.494
   15    HG3  PRO   4           HG3      PRO   3  -6.499   1.901  -0.453
   16    HD2  PRO   4           HD2      PRO   3  -3.970   2.061  -1.465
   17    HD3  PRO   4           HD3      PRO   3  -5.285   3.134  -1.993
   18    H    CYS   5           H        CYS   4  -2.698   2.570   0.761
   19    HA   CYS   5           HA       CYS   4  -2.195   2.455   3.597
   20    HB2  CYS   5           HB2      CYS   4  -1.230   1.058   1.170
   21    HB3  CYS   5           HB3      CYS   4  -0.102   1.136   2.526
   22    H    ILE   6           H        ILE   5  -0.797   3.626   4.737
   23    HA   ILE   6           HA       ILE   5   0.618   5.810   3.635
   24    HB   ILE   6           HB       ILE   5   0.896   4.397   6.294
   25   HG12  ILE   6          HG12      ILE   5  -0.368   7.054   5.575
   26   HG13  ILE   6          HG13      ILE   5  -1.279   5.546   5.696
   27   HG21  ILE   6          HG21      ILE   5   2.048   6.528   6.976
   28   HG22  ILE   6          HG22      ILE   5   2.096   6.990   5.276
   29   HG23  ILE   6          HG23      ILE   5   2.975   5.565   5.827
   30   HD11  ILE   6          HD11      ILE   5   0.381   6.775   7.919
   31   HD12  ILE   6          HD12      ILE   5  -0.551   5.282   8.034
   32   HD13  ILE   6          HD13      ILE   5  -1.380   6.823   7.813
   33    H    TRP   7           H        TRP   6   1.705   2.590   4.704
   34    HA   TRP   7           HA       TRP   6   4.304   3.137   3.440
   35    HB2  TRP   7           HB2      TRP   6   3.569   1.038   5.474
   36    HB3  TRP   7           HB3      TRP   6   5.179   1.278   4.785
   37    HD1  TRP   7           HD1      TRP   6   2.638   2.879   7.133
   38    HE1  TRP   7           HE1      TRP   6   3.808   4.722   8.504
   39    HE3  TRP   7           HE3      TRP   6   7.188   2.965   4.805
   40    HZ2  TRP   7           HZ2      TRP   6   6.334   6.053   8.604
   41    HZ3  TRP   7           HZ3      TRP   6   8.955   4.532   5.560
   42    HH2  TRP   7           HH2      TRP   6   8.532   6.075   7.455
   43    HA   PRO   8           HA       PRO   7   2.515   0.329   0.349
   44    HB2  PRO   8           HB2      PRO   7   4.519   0.570  -1.499
   45    HB3  PRO   8           HB3      PRO   7   3.235   1.772  -1.302
   46    HG2  PRO   8           HG2      PRO   7   6.030   1.813  -0.270
   47    HG3  PRO   8           HG3      PRO   7   5.067   3.117  -0.986
   48    HD2  PRO   8           HD2      PRO   7   5.414   2.880   1.700
   49    HD3  PRO   8           HD3      PRO   7   3.929   3.554   0.989
   50    H    GLU   9           H        GLU   8   5.634   0.116   1.875
   51    HA   GLU   9           HA       GLU   8   6.341  -2.455   0.832
   52    HB2  GLU   9           HB2      GLU   8   8.134  -2.404   2.401
   53    HB3  GLU   9           HB3      GLU   8   7.929  -0.751   1.827
   54    HG2  GLU   9           HG2      GLU   8   6.448  -0.346   3.843
   55    HG3  GLU   9           HG3      GLU   8   6.965  -1.919   4.445
   56    H    LEU  10           H        LEU   9   4.189  -1.357   3.294
   57    HA   LEU  10           HA       LEU   9   4.099  -4.013   4.556
   58    HB2  LEU  10           HB2      LEU   9   2.763  -1.414   5.368
   59    HB3  LEU  10           HB3      LEU   9   2.764  -2.917   6.297
   60    HG   LEU  10           HG       LEU   9   5.249  -1.369   5.509
   61   HD11  LEU  10          HD11      LEU   9   3.853  -1.619   8.190
   62   HD12  LEU  10          HD12      LEU   9   3.879  -0.172   7.180
   63   HD13  LEU  10          HD13      LEU   9   5.374  -0.776   7.895
   64   HD21  LEU  10          HD21      LEU   9   6.263  -2.919   7.269
   65   HD22  LEU  10          HD22      LEU   9   5.798  -3.691   5.754
   66   HD23  LEU  10          HD23      LEU   9   4.769  -3.852   7.177
   67    H    CYS  11           H        CYS  10   2.643  -2.410   2.035
   68    HA   CYS  11           HA       CYS  10   0.195  -4.041   2.293
   69    HB2  CYS  11           HB2      CYS  10   0.440  -1.200   1.287
   70    HB3  CYS  11           HB3      CYS  10  -0.996  -2.196   1.091
   71    HA   PRO  12           HA       PRO  11   2.524  -4.864  -1.678
   72    HB2  PRO  12           HB2      PRO  11   2.497  -7.594  -1.413
   73    HB3  PRO  12           HB3      PRO  11   3.787  -6.557  -0.767
   74    HG2  PRO  12           HG2      PRO  11   1.468  -7.795   0.635
   75    HG3  PRO  12           HG3      PRO  11   3.142  -7.585   1.181
   76    HD2  PRO  12           HD2      PRO  11   1.106  -5.945   2.000
   77    HD3  PRO  12           HD3      PRO  11   2.794  -5.398   1.862
   78    H    TRP  13           H        TRP  12  -0.398  -5.979  -0.214
   79    HA   TRP  13           HA       TRP  12  -1.502  -7.188  -2.584
   80    HB2  TRP  13           HB2      TRP  12  -3.646  -7.140  -1.174
   81    HB3  TRP  13           HB3      TRP  12  -2.314  -8.131  -0.586
   82    HD1  TRP  13           HD1      TRP  12  -4.010  -4.748   0.031
   83    HE1  TRP  13           HE1      TRP  12  -3.436  -3.962   2.415
   84    HE3  TRP  13           HE3      TRP  12  -0.737  -8.414   1.393
   85    HZ2  TRP  13           HZ2      TRP  12  -1.803  -4.785   4.615
   86    HZ3  TRP  13           HZ3      TRP  12   0.306  -8.398   3.641
   87    HH2  TRP  13           HH2      TRP  12  -0.223  -6.590   5.252
   88    H    ILE  14           H        ILE  13  -0.858  -4.048  -1.966
   89    HA   ILE  14           HA       ILE  13  -3.340  -3.072  -3.243
   90    HB   ILE  14           HB       ILE  13  -1.229  -1.513  -1.770
   91   HG12  ILE  14          HG12      ILE  13  -2.436  -3.053  -0.282
   92   HG13  ILE  14          HG13      ILE  13  -2.814  -1.374   0.074
   93   HG21  ILE  14          HG21      ILE  13  -3.925  -0.792  -2.913
   94   HG22  ILE  14          HG22      ILE  13  -2.361  -0.099  -3.320
   95   HG23  ILE  14          HG23      ILE  13  -3.075   0.214  -1.744
   96   HD11  ILE  14          HD11      ILE  13  -4.855  -2.778   0.064
   97   HD12  ILE  14          HD12      ILE  13  -4.535  -3.238  -1.602
   98   HD13  ILE  14          HD13      ILE  13  -4.915  -1.561  -1.206
   99    H    ARG  15           H        ARG  14  -3.145  -2.853  -5.370
  100    HA   ARG  15           HA       ARG  14  -0.736  -2.836  -6.819
  101    HB2  ARG  15           HB2      ARG  14  -2.111  -2.275  -8.736
  102    HB3  ARG  15           HB3      ARG  14  -2.985  -3.430  -7.728
  103    HG2  ARG  15           HG2      ARG  14  -4.221  -1.553  -6.677
  104    HG3  ARG  15           HG3      ARG  14  -3.382  -0.421  -7.735
  105    HD2  ARG  15           HD2      ARG  14  -5.085  -2.716  -8.720
  106    HD3  ARG  15           HD3      ARG  14  -5.652  -1.056  -8.567
  107    HE   ARG  15           HE       ARG  14  -3.320  -0.981 -10.091
  108   HH11  ARG  15          HH11      ARG  14  -6.515  -2.361 -10.273
  109   HH12  ARG  15          HH12      ARG  14  -6.577  -2.297 -11.999
  110   HH21  ARG  15          HH21      ARG  14  -3.436  -0.894 -12.353
  111   HH22  ARG  15          HH22      ARG  14  -4.849  -1.473 -13.172
  112    H    SER  16           H        SER  15  -2.646  -0.269  -5.420
  113    HA   SER  16           HA       SER  15  -1.497   1.900  -6.816
  114    HB2  SER  16           HB2      SER  15  -2.737   1.782  -4.063
  115    HB3  SER  16           HB3      SER  15  -2.334   3.265  -4.915
  116    HG   SER  16           HG       SER  15  -3.929   2.916  -6.300
  117    H    CYS  17           H        CYS  16  -0.575   0.167  -3.894
  118    HA   CYS  17           HA       CYS  16   1.645   1.952  -3.315
  119    HB2  CYS  17           HB2      CYS  16   0.338  -0.370  -2.023
  120    HB3  CYS  17           HB3      CYS  16   2.026  -0.104  -1.642
  121    HN1  NH2  18           HN1      NH2 102   1.160  -0.764  -5.355
  122    HN2  NH2  18           HN2      NH2 102   2.796  -1.194  -5.548
  Start of MODEL   14
    1    H1   ACE   1           H1       ACE   0  -6.813   8.901  -5.698
    2    H2   ACE   1           H2       ACE   0  -6.107  10.224  -6.625
    3    H3   ACE   1           H3       ACE   0  -6.328  10.387  -4.884
    4    H    GLY   2           H1       GLY   1  -5.451   7.642  -4.329
    5    HA2  GLY   2           HA2      GLY   1  -2.896   7.083  -5.358
    6    HA3  GLY   2           HA3      GLY   1  -2.698   8.094  -3.928
    7    H    CYS   3           H        CYS   2  -1.561   5.780  -3.594
    8    HA   CYS   3           HA       CYS   2  -3.136   3.582  -2.871
    9    HB2  CYS   3           HB2      CYS   2  -0.691   3.485  -3.254
   10    HB3  CYS   3           HB3      CYS   2  -0.444   4.330  -1.724
   11    HA   PRO   4           HA       PRO   3  -4.866   5.256   0.932
   12    HB2  PRO   4           HB2      PRO   3  -5.986   2.974   1.931
   13    HB3  PRO   4           HB3      PRO   3  -6.701   3.907   0.600
   14    HG2  PRO   4           HG2      PRO   3  -5.075   1.413   0.504
   15    HG3  PRO   4           HG3      PRO   3  -6.506   1.868  -0.439
   16    HD2  PRO   4           HD2      PRO   3  -3.966   2.036  -1.439
   17    HD3  PRO   4           HD3      PRO   3  -5.281   3.114  -1.959
   18    H    CYS   5           H        CYS   4  -2.611   2.625   0.797
   19    HA   CYS   5           HA       CYS   4  -2.157   2.503   3.658
   20    HB2  CYS   5           HB2      CYS   4  -1.099   1.110   1.246
   21    HB3  CYS   5           HB3      CYS   4  -0.083   1.142   2.690
   22    H    ILE   6           H        ILE   5  -0.741   3.666   4.790
   23    HA   ILE   6           HA       ILE   5   0.664   5.848   3.671
   24    HB   ILE   6           HB       ILE   5   0.979   4.429   6.325
   25   HG12  ILE   6          HG12      ILE   5  -0.291   7.094   5.638
   26   HG13  ILE   6          HG13      ILE   5  -1.206   5.590   5.759
   27   HG21  ILE   6          HG21      ILE   5   2.184   7.000   5.256
   28   HG22  ILE   6          HG22      ILE   5   3.050   5.582   5.853
   29   HG23  ILE   6          HG23      ILE   5   2.132   6.590   6.972
   30   HD11  ILE   6          HD11      ILE   5  -0.454   5.302   8.082
   31   HD12  ILE   6          HD12      ILE   5  -1.267   6.855   7.888
   32   HD13  ILE   6          HD13      ILE   5   0.494   6.785   7.969
   33    H    TRP   7           H        TRP   6   1.733   2.623   4.727
   34    HA   TRP   7           HA       TRP   6   4.332   3.140   3.447
   35    HB2  TRP   7           HB2      TRP   6   3.555   1.062   5.491
   36    HB3  TRP   7           HB3      TRP   6   5.165   1.241   4.783
   37    HD1  TRP   7           HD1      TRP   6   2.700   2.967   7.128
   38    HE1  TRP   7           HE1      TRP   6   3.949   4.792   8.454
   39    HE3  TRP   7           HE3      TRP   6   7.232   2.834   4.769
   40    HZ2  TRP   7           HZ2      TRP   6   6.524   6.032   8.506
   41    HZ3  TRP   7           HZ3      TRP   6   9.062   4.349   5.477
   42    HH2  TRP   7           HH2      TRP   6   8.713   5.946   7.342
   43    HA   PRO   8           HA       PRO   7   2.510   0.364   0.355
   44    HB2  PRO   8           HB2      PRO   7   4.508   0.599  -1.503
   45    HB3  PRO   8           HB3      PRO   7   3.227   1.803  -1.301
   46    HG2  PRO   8           HG2      PRO   7   6.028   1.841  -0.295
   47    HG3  PRO   8           HG3      PRO   7   5.054   3.150  -0.991
   48    HD2  PRO   8           HD2      PRO   7   5.436   2.886   1.694
   49    HD3  PRO   8           HD3      PRO   7   3.953   3.581   1.004
   50    H    GLU   9           H        GLU   8   5.608   0.127   1.887
   51    HA   GLU   9           HA       GLU   8   6.317  -2.440   0.838
   52    HB2  GLU   9           HB2      GLU   8   8.082  -2.399   2.452
   53    HB3  GLU   9           HB3      GLU   8   7.904  -0.755   1.841
   54    HG2  GLU   9           HG2      GLU   8   6.357  -0.324   3.819
   55    HG3  GLU   9           HG3      GLU   8   6.916  -1.864   4.471
   56    H    LEU  10           H        LEU   9   4.152  -1.338   3.298
   57    HA   LEU  10           HA       LEU   9   4.030  -4.003   4.541
   58    HB2  LEU  10           HB2      LEU   9   2.708  -1.400   5.358
   59    HB3  LEU  10           HB3      LEU   9   2.684  -2.909   6.276
   60    HG   LEU  10           HG       LEU   9   5.187  -1.367   5.529
   61   HD11  LEU  10          HD11      LEU   9   4.006  -0.106   7.188
   62   HD12  LEU  10          HD12      LEU   9   5.270  -0.994   8.042
   63   HD13  LEU  10          HD13      LEU   9   3.601  -1.563   8.098
   64   HD21  LEU  10          HD21      LEU   9   6.173  -2.955   7.285
   65   HD22  LEU  10          HD22      LEU   9   5.743  -3.685   5.738
   66   HD23  LEU  10          HD23      LEU   9   4.682  -3.886   7.131
   67    H    CYS  11           H        CYS  10   2.593  -2.378   2.023
   68    HA   CYS  11           HA       CYS  10   0.145  -4.009   2.257
   69    HB2  CYS  11           HB2      CYS  10   0.397  -1.150   1.315
   70    HB3  CYS  11           HB3      CYS  10  -1.030  -2.145   1.043
   71    HA   PRO  12           HA       PRO  11   2.502  -4.789  -1.702
   72    HB2  PRO  12           HB2      PRO  11   2.597  -7.508  -1.414
   73    HB3  PRO  12           HB3      PRO  11   3.828  -6.415  -0.747
   74    HG2  PRO  12           HG2      PRO  11   1.522  -7.725   0.614
   75    HG3  PRO  12           HG3      PRO  11   3.182  -7.483   1.186
   76    HD2  PRO  12           HD2      PRO  11   1.108  -5.888   1.979
   77    HD3  PRO  12           HD3      PRO  11   2.783  -5.299   1.848
   78    H    TRP  13           H        TRP  12  -0.386  -5.949  -0.208
   79    HA   TRP  13           HA       TRP  12  -1.466  -7.240  -2.547
   80    HB2  TRP  13           HB2      TRP  12  -3.612  -7.200  -1.154
   81    HB3  TRP  13           HB3      TRP  12  -2.263  -8.138  -0.519
   82    HD1  TRP  13           HD1      TRP  12  -4.040  -4.770  -0.037
   83    HE1  TRP  13           HE1      TRP  12  -3.523  -3.901   2.332
   84    HE3  TRP  13           HE3      TRP  12  -0.713  -8.323   1.487
   85    HZ2  TRP  13           HZ2      TRP  12  -1.907  -4.622   4.581
   86    HZ3  TRP  13           HZ3      TRP  12   0.293  -8.215   3.748
   87    HH2  TRP  13           HH2      TRP  12  -0.299  -6.372   5.295
   88    H    ILE  14           H        ILE  13  -0.884  -4.071  -1.970
   89    HA   ILE  14           HA       ILE  13  -3.366  -3.150  -3.284
   90    HB   ILE  14           HB       ILE  13  -1.242  -1.534  -1.881
   91   HG12  ILE  14          HG12      ILE  13  -2.430  -3.026  -0.325
   92   HG13  ILE  14          HG13      ILE  13  -2.815  -1.335  -0.026
   93   HG21  ILE  14          HG21      ILE  13  -3.060   0.210  -1.901
   94   HG22  ILE  14          HG22      ILE  13  -3.968  -0.840  -2.987
   95   HG23  ILE  14          HG23      ILE  13  -2.411  -0.184  -3.489
   96   HD11  ILE  14          HD11      ILE  13  -4.848  -2.735   0.043
   97   HD12  ILE  14          HD12      ILE  13  -4.535  -3.285  -1.603
   98   HD13  ILE  14          HD13      ILE  13  -4.924  -1.590  -1.297
   99    H    ARG  15           H        ARG  14  -3.230  -2.782  -5.396
  100    HA   ARG  15           HA       ARG  14  -0.817  -2.928  -6.858
  101    HB2  ARG  15           HB2      ARG  14  -2.175  -2.338  -8.776
  102    HB3  ARG  15           HB3      ARG  14  -3.099  -3.433  -7.749
  103    HG2  ARG  15           HG2      ARG  14  -4.236  -1.479  -6.723
  104    HG3  ARG  15           HG3      ARG  14  -3.353  -0.411  -7.810
  105    HD2  ARG  15           HD2      ARG  14  -5.200  -2.635  -8.709
  106    HD3  ARG  15           HD3      ARG  14  -5.640  -0.930  -8.636
  107    HE   ARG  15           HE       ARG  14  -3.322  -1.077 -10.159
  108   HH11  ARG  15          HH11      ARG  14  -6.578  -2.310 -10.286
  109   HH12  ARG  15          HH12      ARG  14  -6.624  -2.347 -12.017
  110   HH21  ARG  15          HH21      ARG  14  -3.412  -1.130 -12.419
  111   HH22  ARG  15          HH22      ARG  14  -4.845  -1.685 -13.217
  112    H    SER  16           H        SER  15  -2.631  -0.256  -5.498
  113    HA   SER  16           HA       SER  15  -1.383   1.845  -6.907
  114    HB2  SER  16           HB2      SER  15  -3.454   2.160  -5.641
  115    HB3  SER  16           HB3      SER  15  -2.592   1.849  -4.135
  116    HG   SER  16           HG       SER  15  -2.847   4.137  -5.421
  117    H    CYS  17           H        CYS  16  -0.608   0.283  -3.830
  118    HA   CYS  17           HA       CYS  16   1.666   1.962  -3.293
  119    HB2  CYS  17           HB2      CYS  16   0.344  -0.376  -2.030
  120    HB3  CYS  17           HB3      CYS  16   2.031  -0.103  -1.629
  121    HN1  NH2  18           HN1      NH2 102   1.158  -1.126  -4.944
  122    HN2  NH2  18           HN2      NH2 102   2.798  -1.400  -5.309
  Start of MODEL   15
    1    H1   ACE   1           H1       ACE   0  -6.741   9.374  -4.206
    2    H2   ACE   1           H2       ACE   0  -5.815  10.860  -3.989
    3    H3   ACE   1           H3       ACE   0  -6.503  10.037  -2.589
    4    H    GLY   2           H1       GLY   1  -5.104   8.172  -5.164
    5    HA2  GLY   2           HA2      GLY   1  -3.076   7.072  -5.372
    6    HA3  GLY   2           HA3      GLY   1  -2.472   7.989  -3.994
    7    H    CYS   3           H        CYS   2  -1.544   5.780  -3.570
    8    HA   CYS   3           HA       CYS   2  -3.135   3.599  -2.860
    9    HB2  CYS   3           HB2      CYS   2  -0.684   3.476  -3.228
   10    HB3  CYS   3           HB3      CYS   2  -0.438   4.312  -1.693
   11    HA   PRO   4           HA       PRO   3  -4.891   5.232   0.954
   12    HB2  PRO   4           HB2      PRO   3  -5.976   2.898   1.896
   13    HB3  PRO   4           HB3      PRO   3  -6.705   3.863   0.598
   14    HG2  PRO   4           HG2      PRO   3  -5.049   1.396   0.421
   15    HG3  PRO   4           HG3      PRO   3  -6.481   1.869  -0.512
   16    HD2  PRO   4           HD2      PRO   3  -3.949   2.081  -1.480
   17    HD3  PRO   4           HD3      PRO   3  -5.269   3.163  -1.973
   18    H    CYS   5           H        CYS   4  -2.622   2.608   0.796
   19    HA   CYS   5           HA       CYS   4  -2.173   2.499   3.662
   20    HB2  CYS   5           HB2      CYS   4  -1.137   1.068   1.269
   21    HB3  CYS   5           HB3      CYS   4  -0.112   1.113   2.704
   22    H    ILE   6           H        ILE   5  -0.749   3.678   4.777
   23    HA   ILE   6           HA       ILE   5   0.641   5.843   3.636
   24    HB   ILE   6           HB       ILE   5   0.976   4.439   6.296
   25   HG12  ILE   6          HG12      ILE   5  -0.296   7.106   5.625
   26   HG13  ILE   6          HG13      ILE   5  -1.216   5.603   5.730
   27   HG21  ILE   6          HG21      ILE   5   2.124   6.601   6.940
   28   HG22  ILE   6          HG22      ILE   5   2.166   7.015   5.226
   29   HG23  ILE   6          HG23      ILE   5   3.041   5.601   5.814
   30   HD11  ILE   6          HD11      ILE   5  -0.202   5.318   8.067
   31   HD12  ILE   6          HD12      ILE   5  -1.395   6.604   7.888
   32   HD13  ILE   6          HD13      ILE   5   0.324   6.996   7.931
   33    H    TRP   7           H        TRP   6   1.732   2.634   4.720
   34    HA   TRP   7           HA       TRP   6   4.312   3.168   3.406
   35    HB2  TRP   7           HB2      TRP   6   3.604   1.085   5.492
   36    HB3  TRP   7           HB3      TRP   6   5.186   1.279   4.730
   37    HD1  TRP   7           HD1      TRP   6   2.786   3.024   7.116
   38    HE1  TRP   7           HE1      TRP   6   4.072   4.853   8.398
   39    HE3  TRP   7           HE3      TRP   6   7.248   2.874   4.635
   40    HZ2  TRP   7           HZ2      TRP   6   6.651   6.087   8.379
   41    HZ3  TRP   7           HZ3      TRP   6   9.101   4.388   5.288
   42    HH2  TRP   7           HH2      TRP   6   8.808   5.993   7.155
   43    HA   PRO   8           HA       PRO   7   2.514   0.336   0.348
   44    HB2  PRO   8           HB2      PRO   7   4.514   0.573  -1.510
   45    HB3  PRO   8           HB3      PRO   7   3.251   1.798  -1.288
   46    HG2  PRO   8           HG2      PRO   7   6.049   1.761  -0.254
   47    HG3  PRO   8           HG3      PRO   7   5.127   3.098  -0.963
   48    HD2  PRO   8           HD2      PRO   7   5.462   2.827   1.710
   49    HD3  PRO   8           HD3      PRO   7   4.000   3.542   1.000
   50    H    GLU   9           H        GLU   8   5.609   0.118   1.875
   51    HA   GLU   9           HA       GLU   8   6.327  -2.450   0.843
   52    HB2  GLU   9           HB2      GLU   8   8.090  -2.393   2.469
   53    HB3  GLU   9           HB3      GLU   8   7.931  -0.769   1.798
   54    HG2  GLU   9           HG2      GLU   8   6.433  -0.211   3.758
   55    HG3  GLU   9           HG3      GLU   8   6.872  -1.773   4.446
   56    H    LEU  10           H        LEU   9   4.115  -1.359   3.240
   57    HA   LEU  10           HA       LEU   9   4.047  -4.004   4.533
   58    HB2  LEU  10           HB2      LEU   9   2.661  -1.433   5.327
   59    HB3  LEU  10           HB3      LEU   9   2.745  -2.918   6.276
   60    HG   LEU  10           HG       LEU   9   5.130  -1.249   5.427
   61   HD11  LEU  10          HD11      LEU   9   5.269  -0.539   7.715
   62   HD12  LEU  10          HD12      LEU   9   3.983  -1.643   8.199
   63   HD13  LEU  10          HD13      LEU   9   3.613  -0.246   7.186
   64   HD21  LEU  10          HD21      LEU   9   6.303  -2.755   7.100
   65   HD22  LEU  10          HD22      LEU   9   5.777  -3.564   5.624
   66   HD23  LEU  10          HD23      LEU   9   4.849  -3.754   7.110
   67    H    CYS  11           H        CYS  10   2.566  -2.333   2.034
   68    HA   CYS  11           HA       CYS  10   0.147  -4.008   2.267
   69    HB2  CYS  11           HB2      CYS  10   0.378  -1.133   1.366
   70    HB3  CYS  11           HB3      CYS  10  -1.037  -2.134   1.055
   71    HA   PRO  12           HA       PRO  11   2.466  -4.714  -1.727
   72    HB2  PRO  12           HB2      PRO  11   2.613  -7.424  -1.497
   73    HB3  PRO  12           HB3      PRO  11   3.823  -6.324  -0.804
   74    HG2  PRO  12           HG2      PRO  11   1.534  -7.698   0.525
   75    HG3  PRO  12           HG3      PRO  11   3.193  -7.461   1.100
   76    HD2  PRO  12           HD2      PRO  11   1.113  -5.904   1.943
   77    HD3  PRO  12           HD3      PRO  11   2.780  -5.293   1.819
   78    H    TRP  13           H        TRP  12  -0.395  -5.902  -0.237
   79    HA   TRP  13           HA       TRP  12  -1.468  -7.177  -2.599
   80    HB2  TRP  13           HB2      TRP  12  -3.618  -7.164  -1.176
   81    HB3  TRP  13           HB3      TRP  12  -2.263  -8.129  -0.594
   82    HD1  TRP  13           HD1      TRP  12  -4.009  -4.775   0.019
   83    HE1  TRP  13           HE1      TRP  12  -3.433  -3.974   2.396
   84    HE3  TRP  13           HE3      TRP  12  -0.671  -8.386   1.364
   85    HZ2  TRP  13           HZ2      TRP  12  -1.784  -4.777   4.594
   86    HZ3  TRP  13           HZ3      TRP  12   0.386  -8.352   3.607
   87    HH2  TRP  13           HH2      TRP  12  -0.167  -6.552   5.222
   88    H    ILE  14           H        ILE  13  -0.890  -4.024  -1.986
   89    HA   ILE  14           HA       ILE  13  -3.372  -3.086  -3.277
   90    HB   ILE  14           HB       ILE  13  -1.261  -1.500  -1.806
   91   HG12  ILE  14          HG12      ILE  13  -2.469  -3.049  -0.316
   92   HG13  ILE  14          HG13      ILE  13  -2.851  -1.366   0.032
   93   HG21  ILE  14          HG21      ILE  13  -3.958  -0.819  -2.964
   94   HG22  ILE  14          HG22      ILE  13  -2.400  -0.096  -3.351
   95   HG23  ILE  14          HG23      ILE  13  -3.140   0.203  -1.781
   96   HD11  ILE  14          HD11      ILE  13  -4.562  -3.258  -1.628
   97   HD12  ILE  14          HD12      ILE  13  -4.957  -1.573  -1.268
   98   HD13  ILE  14          HD13      ILE  13  -4.897  -2.767   0.032
   99    H    ARG  15           H        ARG  14  -3.151  -2.945  -5.396
  100    HA   ARG  15           HA       ARG  14  -0.750  -2.964  -6.825
  101    HB2  ARG  15           HB2      ARG  14  -2.093  -2.362  -8.757
  102    HB3  ARG  15           HB3      ARG  14  -2.989  -3.512  -7.767
  103    HG2  ARG  15           HG2      ARG  14  -4.137  -1.548  -6.670
  104    HG3  ARG  15           HG3      ARG  14  -3.359  -0.508  -7.862
  105    HD2  ARG  15           HD2      ARG  14  -5.590  -1.065  -8.641
  106    HD3  ARG  15           HD3      ARG  14  -4.403  -1.857  -9.672
  107    HE   ARG  15           HE       ARG  14  -5.175  -3.575  -7.542
  108   HH11  ARG  15          HH11      ARG  14  -6.286  -2.211 -10.558
  109   HH12  ARG  15          HH12      ARG  14  -7.334  -3.542 -10.914
  110   HH21  ARG  15          HH21      ARG  14  -6.557  -5.310  -8.040
  111   HH22  ARG  15          HH22      ARG  14  -7.486  -5.281  -9.503
  112    H    SER  16           H        SER  15  -2.625  -0.310  -5.509
  113    HA   SER  16           HA       SER  15  -1.374   1.801  -6.905
  114    HB2  SER  16           HB2      SER  15  -3.476   2.097  -5.668
  115    HB3  SER  16           HB3      SER  15  -2.631   1.807  -4.150
  116    HG   SER  16           HG       SER  15  -2.872   4.076  -5.518
  117    H    CYS  17           H        CYS  16  -0.587   0.170  -3.860
  118    HA   CYS  17           HA       CYS  16   1.637   1.932  -3.290
  119    HB2  CYS  17           HB2      CYS  16   0.350  -0.412  -2.008
  120    HB3  CYS  17           HB3      CYS  16   2.036  -0.122  -1.618
  121    HN1  NH2  18           HN1      NH2 102   1.205  -0.992  -5.142
  122    HN2  NH2  18           HN2      NH2 102   2.858  -1.300  -5.399
  Start of MODEL   16
    1    H1   ACE   1           H1       ACE   0  -6.850   9.895  -3.686
    2    H2   ACE   1           H2       ACE   0  -7.108   8.594  -4.848
    3    H3   ACE   1           H3       ACE   0  -6.281  10.070  -5.346
    4    H    GLY   2           H1       GLY   1  -5.122   7.573  -5.751
    5    HA2  GLY   2           HA2      GLY   1  -2.926   6.793  -5.603
    6    HA3  GLY   2           HA3      GLY   1  -2.663   7.862  -4.224
    7    H    CYS   3           H        CYS   2  -1.588   5.602  -3.720
    8    HA   CYS   3           HA       CYS   2  -3.203   3.452  -2.890
    9    HB2  CYS   3           HB2      CYS   2  -0.742   3.324  -3.311
   10    HB3  CYS   3           HB3      CYS   2  -0.491   4.198  -1.797
   11    HA   PRO   4           HA       PRO   3  -4.778   5.337   0.880
   12    HB2  PRO   4           HB2      PRO   3  -5.955   3.148   1.998
   13    HB3  PRO   4           HB3      PRO   3  -6.664   4.032   0.629
   14    HG2  PRO   4           HG2      PRO   3  -5.094   1.496   0.637
   15    HG3  PRO   4           HG3      PRO   3  -6.546   1.926  -0.288
   16    HD2  PRO   4           HD2      PRO   3  -4.038   1.992  -1.368
   17    HD3  PRO   4           HD3      PRO   3  -5.343   3.074  -1.902
   18    H    CYS   5           H        CYS   4  -2.638   2.586   0.802
   19    HA   CYS   5           HA       CYS   4  -2.128   2.511   3.639
   20    HB2  CYS   5           HB2      CYS   4  -1.052   1.135   1.227
   21    HB3  CYS   5           HB3      CYS   4  -0.042   1.175   2.673
   22    H    ILE   6           H        ILE   5  -0.738   3.702   4.769
   23    HA   ILE   6           HA       ILE   5   0.670   5.877   3.643
   24    HB   ILE   6           HB       ILE   5   0.929   4.494   6.319
   25   HG12  ILE   6          HG12      ILE   5  -0.321   7.151   5.567
   26   HG13  ILE   6          HG13      ILE   5  -1.238   5.648   5.687
   27   HG21  ILE   6          HG21      ILE   5   2.077   6.642   6.982
   28   HG22  ILE   6          HG22      ILE   5   2.165   7.055   5.269
   29   HG23  ILE   6          HG23      ILE   5   3.016   5.636   5.879
   30   HD11  ILE   6          HD11      ILE   5  -1.454   6.762   7.807
   31   HD12  ILE   6          HD12      ILE   5   0.283   7.056   7.895
   32   HD13  ILE   6          HD13      ILE   5  -0.341   5.414   8.050
   33    H    TRP   7           H        TRP   6   1.736   2.677   4.759
   34    HA   TRP   7           HA       TRP   6   4.372   3.153   3.521
   35    HB2  TRP   7           HB2      TRP   6   3.500   1.092   5.558
   36    HB3  TRP   7           HB3      TRP   6   5.128   1.234   4.890
   37    HD1  TRP   7           HD1      TRP   6   2.674   2.985   7.227
   38    HE1  TRP   7           HE1      TRP   6   3.945   4.778   8.577
   39    HE3  TRP   7           HE3      TRP   6   7.202   2.812   4.876
   40    HZ2  TRP   7           HZ2      TRP   6   6.545   5.978   8.651
   41    HZ3  TRP   7           HZ3      TRP   6   9.057   4.288   5.603
   42    HH2  TRP   7           HH2      TRP   6   8.734   5.869   7.486
   43    HA   PRO   8           HA       PRO   7   2.486   0.367   0.446
   44    HB2  PRO   8           HB2      PRO   7   4.461   0.578  -1.436
   45    HB3  PRO   8           HB3      PRO   7   3.186   1.791  -1.229
   46    HG2  PRO   8           HG2      PRO   7   5.998   1.816  -0.244
   47    HG3  PRO   8           HG3      PRO   7   5.034   3.125  -0.955
   48    HD2  PRO   8           HD2      PRO   7   5.424   2.904   1.730
   49    HD3  PRO   8           HD3      PRO   7   3.933   3.582   1.037
   50    H    GLU   9           H        GLU   8   5.619   0.142   1.934
   51    HA   GLU   9           HA       GLU   8   6.334  -2.408   0.870
   52    HB2  GLU   9           HB2      GLU   8   8.086  -2.407   2.500
   53    HB3  GLU   9           HB3      GLU   8   7.924  -0.751   1.920
   54    HG2  GLU   9           HG2      GLU   8   6.411  -0.311   3.901
   55    HG3  GLU   9           HG3      GLU   8   6.867  -1.903   4.507
   56    H    LEU  10           H        LEU   9   4.163  -1.361   3.345
   57    HA   LEU  10           HA       LEU   9   4.029  -4.044   4.538
   58    HB2  LEU  10           HB2      LEU   9   2.685  -1.460   5.376
   59    HB3  LEU  10           HB3      LEU   9   2.647  -2.984   6.267
   60    HG   LEU  10           HG       LEU   9   5.168  -1.443   5.588
   61   HD11  LEU  10          HD11      LEU   9   3.509  -1.619   8.110
   62   HD12  LEU  10          HD12      LEU   9   3.969  -0.169   7.217
   63   HD13  LEU  10          HD13      LEU   9   5.188  -1.079   8.108
   64   HD21  LEU  10          HD21      LEU   9   5.682  -3.775   5.808
   65   HD22  LEU  10          HD22      LEU   9   4.604  -3.949   7.193
   66   HD23  LEU  10          HD23      LEU   9   6.105  -3.038   7.354
   67    H    CYS  11           H        CYS  10   2.620  -2.412   2.005
   68    HA   CYS  11           HA       CYS  10   0.171  -4.045   2.216
   69    HB2  CYS  11           HB2      CYS  10   0.398  -1.199   1.220
   70    HB3  CYS  11           HB3      CYS  10  -1.030  -2.209   1.039
   71    HA   PRO  12           HA       PRO  11   2.536  -4.817  -1.725
   72    HB2  PRO  12           HB2      PRO  11   2.602  -7.537  -1.459
   73    HB3  PRO  12           HB3      PRO  11   3.836  -6.463  -0.766
   74    HG2  PRO  12           HG2      PRO  11   1.499  -7.760   0.555
   75    HG3  PRO  12           HG3      PRO  11   3.158  -7.545   1.148
   76    HD2  PRO  12           HD2      PRO  11   1.093  -5.931   1.933
   77    HD3  PRO  12           HD3      PRO  11   2.776  -5.362   1.828
   78    H    TRP  13           H        TRP  12  -0.363  -6.005  -0.255
   79    HA   TRP  13           HA       TRP  12  -1.439  -7.252  -2.615
   80    HB2  TRP  13           HB2      TRP  12  -3.577  -7.265  -1.226
   81    HB3  TRP  13           HB3      TRP  12  -2.211  -8.177  -0.586
   82    HD1  TRP  13           HD1      TRP  12  -4.061  -4.849  -0.101
   83    HE1  TRP  13           HE1      TRP  12  -3.608  -3.998   2.286
   84    HE3  TRP  13           HE3      TRP  12  -0.670  -8.333   1.435
   85    HZ2  TRP  13           HZ2      TRP  12  -2.019  -4.709   4.556
   86    HZ3  TRP  13           HZ3      TRP  12   0.295  -8.229   3.714
   87    HH2  TRP  13           HH2      TRP  12  -0.375  -6.424   5.276
   88    H    ILE  14           H        ILE  13  -0.916  -4.067  -1.939
   89    HA   ILE  14           HA       ILE  13  -3.399  -3.158  -3.259
   90    HB   ILE  14           HB       ILE  13  -1.277  -1.539  -1.854
   91   HG12  ILE  14          HG12      ILE  13  -2.449  -3.054  -0.298
   92   HG13  ILE  14          HG13      ILE  13  -2.836  -1.366   0.013
   93   HG21  ILE  14          HG21      ILE  13  -3.191   0.150  -1.841
   94   HG22  ILE  14          HG22      ILE  13  -3.989  -0.900  -3.011
   95   HG23  ILE  14          HG23      ILE  13  -2.439  -0.160  -3.405
   96   HD11  ILE  14          HD11      ILE  13  -4.957  -1.614  -1.231
   97   HD12  ILE  14          HD12      ILE  13  -4.862  -2.794   0.075
   98   HD13  ILE  14          HD13      ILE  13  -4.560  -3.296  -1.584
   99    H    ARG  15           H        ARG  14  -3.274  -2.760  -5.366
  100    HA   ARG  15           HA       ARG  14  -0.877  -2.873  -6.854
  101    HB2  ARG  15           HB2      ARG  14  -2.243  -2.223  -8.754
  102    HB3  ARG  15           HB3      ARG  14  -3.148  -3.364  -7.757
  103    HG2  ARG  15           HG2      ARG  14  -4.217  -1.379  -6.614
  104    HG3  ARG  15           HG3      ARG  14  -3.458  -0.352  -7.828
  105    HD2  ARG  15           HD2      ARG  14  -5.724  -0.868  -8.544
  106    HD3  ARG  15           HD3      ARG  14  -4.587  -1.696  -9.606
  107    HE   ARG  15           HE       ARG  14  -5.341  -3.355  -7.414
  108   HH11  ARG  15          HH11      ARG  14  -6.450  -2.097 -10.468
  109   HH12  ARG  15          HH12      ARG  14  -7.505  -3.432 -10.769
  110   HH21  ARG  15          HH21      ARG  14  -6.727  -5.083  -7.827
  111   HH22  ARG  15          HH22      ARG  14  -7.664  -5.116  -9.283
  112    H    SER  16           H        SER  15  -2.663  -0.202  -5.453
  113    HA   SER  16           HA       SER  15  -1.408   1.910  -6.858
  114    HB2  SER  16           HB2      SER  15  -2.703   1.821  -4.131
  115    HB3  SER  16           HB3      SER  15  -2.196   3.303  -4.939
  116    HG   SER  16           HG       SER  15  -4.137   1.407  -5.759
  117    H    CYS  17           H        CYS  16  -0.611   0.233  -3.856
  118    HA   CYS  17           HA       CYS  16   1.648   1.934  -3.262
  119    HB2  CYS  17           HB2      CYS  16   0.372  -0.468  -2.058
  120    HB3  CYS  17           HB3      CYS  16   2.041  -0.140  -1.640
  121    HN1  NH2  18           HN1      NH2 102   1.143  -1.009  -5.107
  122    HN2  NH2  18           HN2      NH2 102   2.787  -1.311  -5.428
  Start of MODEL   17
    1    H1   ACE   1           H1       ACE   0  -7.343   8.181  -4.958
    2    H2   ACE   1           H2       ACE   0  -6.994   8.404  -6.673
    3    H3   ACE   1           H3       ACE   0  -6.388   9.565  -5.492
    4    H    GLY   2           H1       GLY   1  -4.717   8.878  -4.020
    5    HA2  GLY   2           HA2      GLY   1  -2.807   7.104  -5.281
    6    HA3  GLY   2           HA3      GLY   1  -2.547   8.065  -3.827
    7    H    CYS   3           H        CYS   2  -1.489   5.749  -3.505
    8    HA   CYS   3           HA       CYS   2  -3.115   3.564  -2.861
    9    HB2  CYS   3           HB2      CYS   2  -0.657   3.459  -3.231
   10    HB3  CYS   3           HB3      CYS   2  -0.431   4.215  -1.652
   11    HA   PRO   4           HA       PRO   3  -4.929   5.112   0.944
   12    HB2  PRO   4           HB2      PRO   3  -5.874   2.719   1.932
   13    HB3  PRO   4           HB3      PRO   3  -6.703   3.681   0.691
   14    HG2  PRO   4           HG2      PRO   3  -4.984   1.271   0.386
   15    HG3  PRO   4           HG3      PRO   3  -6.465   1.725  -0.479
   16    HD2  PRO   4           HD2      PRO   3  -3.992   2.031  -1.577
   17    HD3  PRO   4           HD3      PRO   3  -5.341   3.125  -1.951
   18    H    CYS   5           H        CYS   4  -2.566   2.548   0.822
   19    HA   CYS   5           HA       CYS   4  -2.080   2.556   3.686
   20    HB2  CYS   5           HB2      CYS   4  -0.900   1.119   1.331
   21    HB3  CYS   5           HB3      CYS   4  -0.062   1.119   2.881
   22    H    ILE   6           H        ILE   5  -0.687   3.818   4.727
   23    HA   ILE   6           HA       ILE   5   0.700   5.936   3.470
   24    HB   ILE   6           HB       ILE   5   1.020   4.682   6.209
   25   HG12  ILE   6          HG12      ILE   5  -0.249   7.302   5.362
   26   HG13  ILE   6          HG13      ILE   5  -1.166   5.808   5.567
   27   HG21  ILE   6          HG21      ILE   5   2.167   6.882   6.723
   28   HG22  ILE   6          HG22      ILE   5   2.228   7.179   4.986
   29   HG23  ILE   6          HG23      ILE   5   3.089   5.804   5.676
   30   HD11  ILE   6          HD11      ILE   5   0.455   7.242   7.687
   31   HD12  ILE   6          HD12      ILE   5  -0.283   5.655   7.908
   32   HD13  ILE   6          HD13      ILE   5  -1.299   7.069   7.634
   33    H    TRP   7           H        TRP   6   1.773   2.776   4.707
   34    HA   TRP   7           HA       TRP   6   4.382   3.225   3.418
   35    HB2  TRP   7           HB2      TRP   6   3.563   1.237   5.543
   36    HB3  TRP   7           HB3      TRP   6   5.178   1.365   4.839
   37    HD1  TRP   7           HD1      TRP   6   2.702   3.282   7.034
   38    HE1  TRP   7           HE1      TRP   6   3.979   5.116   8.320
   39    HE3  TRP   7           HE3      TRP   6   7.307   2.835   4.869
   40    HZ2  TRP   7           HZ2      TRP   6   6.603   6.242   8.418
   41    HZ3  TRP   7           HZ3      TRP   6   9.177   4.301   5.578
   42    HH2  TRP   7           HH2      TRP   6   8.831   6.002   7.351
   43    HA   PRO   8           HA       PRO   7   2.514   0.358   0.418
   44    HB2  PRO   8           HB2      PRO   7   4.505   0.521  -1.455
   45    HB3  PRO   8           HB3      PRO   7   3.224   1.736  -1.286
   46    HG2  PRO   8           HG2      PRO   7   6.033   1.795  -0.281
   47    HG3  PRO   8           HG3      PRO   7   5.074   3.082  -1.035
   48    HD2  PRO   8           HD2      PRO   7   5.438   2.940   1.655
   49    HD3  PRO   8           HD3      PRO   7   3.947   3.585   0.934
   50    H    GLU   9           H        GLU   8   5.625   0.138   1.938
   51    HA   GLU   9           HA       GLU   8   6.330  -2.444   0.937
   52    HB2  GLU   9           HB2      GLU   8   8.051  -2.402   2.613
   53    HB3  GLU   9           HB3      GLU   8   7.914  -0.777   1.942
   54    HG2  GLU   9           HG2      GLU   8   6.356  -0.224   3.858
   55    HG3  GLU   9           HG3      GLU   8   6.795  -1.778   4.567
   56    H    LEU  10           H        LEU   9   4.072  -1.343   3.302
   57    HA   LEU  10           HA       LEU   9   3.954  -3.989   4.586
   58    HB2  LEU  10           HB2      LEU   9   2.557  -1.408   5.334
   59    HB3  LEU  10           HB3      LEU   9   2.575  -2.898   6.280
   60    HG   LEU  10           HG       LEU   9   5.024  -1.276   5.529
   61   HD11  LEU  10          HD11      LEU   9   3.821  -1.642   8.278
   62   HD12  LEU  10          HD12      LEU   9   3.411  -0.274   7.242
   63   HD13  LEU  10          HD13      LEU   9   5.075  -0.505   7.780
   64   HD21  LEU  10          HD21      LEU   9   4.617  -3.789   7.171
   65   HD22  LEU  10          HD22      LEU   9   6.076  -2.805   7.288
   66   HD23  LEU  10          HD23      LEU   9   5.653  -3.579   5.760
   67    H    CYS  11           H        CYS  10   2.531  -2.375   2.025
   68    HA   CYS  11           HA       CYS  10   0.115  -4.059   2.224
   69    HB2  CYS  11           HB2      CYS  10   0.320  -1.193   1.284
   70    HB3  CYS  11           HB3      CYS  10  -1.079  -2.219   0.983
   71    HA   PRO  12           HA       PRO  11   2.527  -4.789  -1.705
   72    HB2  PRO  12           HB2      PRO  11   2.619  -7.519  -1.420
   73    HB3  PRO  12           HB3      PRO  11   3.859  -6.418  -0.783
   74    HG2  PRO  12           HG2      PRO  11   1.610  -7.759   0.630
   75    HG3  PRO  12           HG3      PRO  11   3.264  -7.436   1.179
   76    HD2  PRO  12           HD2      PRO  11   1.111  -5.919   1.953
   77    HD3  PRO  12           HD3      PRO  11   2.771  -5.281   1.844
   78    H    TRP  13           H        TRP  12  -0.378  -5.990  -0.281
   79    HA   TRP  13           HA       TRP  12  -1.393  -7.247  -2.680
   80    HB2  TRP  13           HB2      TRP  12  -3.566  -7.289  -1.310
   81    HB3  TRP  13           HB3      TRP  12  -2.211  -8.249  -0.723
   82    HD1  TRP  13           HD1      TRP  12  -4.053  -4.956  -0.036
   83    HE1  TRP  13           HE1      TRP  12  -3.535  -4.214   2.376
   84    HE3  TRP  13           HE3      TRP  12  -0.611  -8.494   1.239
   85    HZ2  TRP  13           HZ2      TRP  12  -1.871  -5.019   4.561
   86    HZ3  TRP  13           HZ3      TRP  12   0.422  -8.491   3.491
   87    HH2  TRP  13           HH2      TRP  12  -0.203  -6.760   5.153
   88    H    ILE  14           H        ILE  13  -0.882  -4.097  -2.049
   89    HA   ILE  14           HA       ILE  13  -3.387  -3.201  -3.332
   90    HB   ILE  14           HB       ILE  13  -1.307  -1.574  -1.858
   91   HG12  ILE  14          HG12      ILE  13  -2.582  -3.177  -0.409
   92   HG13  ILE  14          HG13      ILE  13  -2.832  -1.479  -0.002
   93   HG21  ILE  14          HG21      ILE  13  -3.228   0.110  -1.855
   94   HG22  ILE  14          HG22      ILE  13  -3.995  -0.916  -3.067
   95   HG23  ILE  14          HG23      ILE  13  -2.436  -0.165  -3.404
   96   HD11  ILE  14          HD11      ILE  13  -4.938  -2.915  -0.075
   97   HD12  ILE  14          HD12      ILE  13  -4.710  -3.020  -1.822
   98   HD13  ILE  14          HD13      ILE  13  -4.984  -1.453  -1.064
   99    H    ARG  15           H        ARG  14  -3.258  -2.776  -5.436
  100    HA   ARG  15           HA       ARG  14  -0.852  -2.830  -6.908
  101    HB2  ARG  15           HB2      ARG  14  -2.218  -2.174  -8.802
  102    HB3  ARG  15           HB3      ARG  14  -3.124  -3.326  -7.820
  103    HG2  ARG  15           HG2      ARG  14  -4.301  -1.441  -6.718
  104    HG3  ARG  15           HG3      ARG  14  -3.423  -0.307  -7.741
  105    HD2  ARG  15           HD2      ARG  14  -5.226  -2.508  -8.777
  106    HD3  ARG  15           HD3      ARG  14  -5.703  -0.820  -8.605
  107    HE   ARG  15           HE       ARG  14  -3.368  -0.848 -10.122
  108   HH11  ARG  15          HH11      ARG  14  -6.627  -2.065 -10.343
  109   HH12  ARG  15          HH12      ARG  14  -6.670  -1.977 -12.071
  110   HH21  ARG  15          HH21      ARG  14  -3.456  -0.737 -12.381
  111   HH22  ARG  15          HH22      ARG  14  -4.890  -1.230 -13.218
  112    H    SER  16           H        SER  15  -2.662  -0.226  -5.428
  113    HA   SER  16           HA       SER  15  -1.430   1.925  -6.785
  114    HB2  SER  16           HB2      SER  15  -2.715   1.786  -4.056
  115    HB3  SER  16           HB3      SER  15  -2.210   3.281  -4.839
  116    HG   SER  16           HG       SER  15  -3.593   2.675  -6.596
  117    H    CYS  17           H        CYS  16  -0.599   0.172  -3.836
  118    HA   CYS  17           HA       CYS  16   1.669   1.869  -3.244
  119    HB2  CYS  17           HB2      CYS  16   0.379  -0.519  -2.020
  120    HB3  CYS  17           HB3      CYS  16   2.056  -0.183  -1.605
  121    HN1  NH2  18           HN1      NH2 102   1.120  -1.056  -5.096
  122    HN2  NH2  18           HN2      NH2 102   2.757  -1.387  -5.418
  Start of MODEL   18
    1    H1   ACE   1           H1       ACE   0  -6.558   9.867  -2.692
    2    H2   ACE   1           H2       ACE   0  -6.595   9.447  -4.404
    3    H3   ACE   1           H3       ACE   0  -5.743  10.896  -3.869
    4    H    GLY   2           H1       GLY   1  -4.974   8.222  -5.242
    5    HA2  GLY   2           HA2      GLY   1  -2.944   7.124  -5.410
    6    HA3  GLY   2           HA3      GLY   1  -2.384   8.012  -3.994
    7    H    CYS   3           H        CYS   2  -1.461   5.800  -3.545
    8    HA   CYS   3           HA       CYS   2  -3.095   3.611  -2.902
    9    HB2  CYS   3           HB2      CYS   2  -0.641   3.493  -3.259
   10    HB3  CYS   3           HB3      CYS   2  -0.405   4.280  -1.695
   11    HA   PRO   4           HA       PRO   3  -4.872   5.243   0.894
   12    HB2  PRO   4           HB2      PRO   3  -5.968   2.925   1.863
   13    HB3  PRO   4           HB3      PRO   3  -6.697   3.884   0.560
   14    HG2  PRO   4           HG2      PRO   3  -5.045   1.410   0.395
   15    HG3  PRO   4           HG3      PRO   3  -6.491   1.868  -0.527
   16    HD2  PRO   4           HD2      PRO   3  -3.982   2.087  -1.556
   17    HD3  PRO   4           HD3      PRO   3  -5.298   3.192  -2.007
   18    H    CYS   5           H        CYS   4  -2.604   2.609   0.765
   19    HA   CYS   5           HA       CYS   4  -2.174   2.506   3.632
   20    HB2  CYS   5           HB2      CYS   4  -1.154   1.063   1.249
   21    HB3  CYS   5           HB3      CYS   4  -0.078   1.151   2.647
   22    H    ILE   6           H        ILE   5  -0.763   3.687   4.765
   23    HA   ILE   6           HA       ILE   5   0.648   5.851   3.634
   24    HB   ILE   6           HB       ILE   5   0.945   4.456   6.305
   25   HG12  ILE   6          HG12      ILE   5  -0.322   7.113   5.580
   26   HG13  ILE   6          HG13      ILE   5  -1.235   5.609   5.712
   27   HG21  ILE   6          HG21      ILE   5   2.144   7.031   5.242
   28   HG22  ILE   6          HG22      ILE   5   3.020   5.615   5.824
   29   HG23  ILE   6          HG23      ILE   5   2.098   6.608   6.953
   30   HD11  ILE   6          HD11      ILE   5  -0.501   5.349   8.043
   31   HD12  ILE   6          HD12      ILE   5  -1.318   6.897   7.823
   32   HD13  ILE   6          HD13      ILE   5   0.443   6.833   7.921
   33    H    TRP   7           H        TRP   6   1.710   2.632   4.725
   34    HA   TRP   7           HA       TRP   6   4.319   3.134   3.456
   35    HB2  TRP   7           HB2      TRP   6   3.514   1.088   5.535
   36    HB3  TRP   7           HB3      TRP   6   5.127   1.241   4.829
   37    HD1  TRP   7           HD1      TRP   6   2.682   3.028   7.147
   38    HE1  TRP   7           HE1      TRP   6   3.945   4.869   8.437
   39    HE3  TRP   7           HE3      TRP   6   7.201   2.823   4.781
   40    HZ2  TRP   7           HZ2      TRP   6   6.528   6.094   8.461
   41    HZ3  TRP   7           HZ3      TRP   6   9.045   4.334   5.458
   42    HH2  TRP   7           HH2      TRP   6   8.713   5.968   7.295
   43    HA   PRO   8           HA       PRO   7   2.488   0.321   0.390
   44    HB2  PRO   8           HB2      PRO   7   4.489   0.527  -1.467
   45    HB3  PRO   8           HB3      PRO   7   3.218   1.744  -1.278
   46    HG2  PRO   8           HG2      PRO   7   6.010   1.756  -0.237
   47    HG3  PRO   8           HG3      PRO   7   5.075   3.067  -0.982
   48    HD2  PRO   8           HD2      PRO   7   5.397   2.883   1.699
   49    HD3  PRO   8           HD3      PRO   7   3.912   3.536   0.970
   50    H    GLU   9           H        GLU   8   5.631   0.111   1.878
   51    HA   GLU   9           HA       GLU   8   6.332  -2.461   0.855
   52    HB2  GLU   9           HB2      GLU   8   8.087  -2.426   2.493
   53    HB3  GLU   9           HB3      GLU   8   7.928  -0.790   1.858
   54    HG2  GLU   9           HG2      GLU   8   6.434  -0.258   3.811
   55    HG3  GLU   9           HG3      GLU   8   6.827  -1.845   4.471
   56    H    LEU  10           H        LEU   9   4.168  -1.358   3.318
   57    HA   LEU  10           HA       LEU   9   4.036  -4.016   4.568
   58    HB2  LEU  10           HB2      LEU   9   2.665  -1.430   5.351
   59    HB3  LEU  10           HB3      LEU   9   2.685  -2.927   6.288
   60    HG   LEU  10           HG       LEU   9   5.132  -1.305   5.529
   61   HD11  LEU  10          HD11      LEU   9   3.797  -0.152   7.210
   62   HD12  LEU  10          HD12      LEU   9   5.235  -0.831   7.969
   63   HD13  LEU  10          HD13      LEU   9   3.673  -1.629   8.165
   64   HD21  LEU  10          HD21      LEU   9   6.200  -2.860   7.251
   65   HD22  LEU  10          HD22      LEU   9   5.755  -3.615   5.722
   66   HD23  LEU  10          HD23      LEU   9   4.737  -3.837   7.142
   67    H    CYS  11           H        CYS  10   2.587  -2.342   2.052
   68    HA   CYS  11           HA       CYS  10   0.163  -4.018   2.241
   69    HB2  CYS  11           HB2      CYS  10   0.367  -1.149   1.306
   70    HB3  CYS  11           HB3      CYS  10  -1.055  -2.164   1.097
   71    HA   PRO  12           HA       PRO  11   2.535  -4.668  -1.725
   72    HB2  PRO  12           HB2      PRO  11   2.691  -7.388  -1.502
   73    HB3  PRO  12           HB3      PRO  11   3.896  -6.283  -0.805
   74    HG2  PRO  12           HG2      PRO  11   1.620  -7.680   0.519
   75    HG3  PRO  12           HG3      PRO  11   3.273  -7.408   1.100
   76    HD2  PRO  12           HD2      PRO  11   1.150  -5.886   1.918
   77    HD3  PRO  12           HD3      PRO  11   2.814  -5.256   1.819
   78    H    TRP  13           H        TRP  12  -0.329  -5.921  -0.260
   79    HA   TRP  13           HA       TRP  12  -1.381  -7.176  -2.637
   80    HB2  TRP  13           HB2      TRP  12  -3.521  -7.247  -1.243
   81    HB3  TRP  13           HB3      TRP  12  -2.140  -8.147  -0.620
   82    HD1  TRP  13           HD1      TRP  12  -4.031  -4.851  -0.085
   83    HE1  TRP  13           HE1      TRP  12  -3.565  -4.013   2.305
   84    HE3  TRP  13           HE3      TRP  12  -0.601  -8.319   1.399
   85    HZ2  TRP  13           HZ2      TRP  12  -1.948  -4.725   4.555
   86    HZ3  TRP  13           HZ3      TRP  12   0.385  -8.222   3.672
   87    HH2  TRP  13           HH2      TRP  12  -0.286  -6.430   5.250
   88    H    ILE  14           H        ILE  13  -0.906  -4.001  -1.929
   89    HA   ILE  14           HA       ILE  13  -3.401  -3.109  -3.228
   90    HB   ILE  14           HB       ILE  13  -1.290  -1.491  -1.795
   91   HG12  ILE  14          HG12      ILE  13  -2.504  -3.035  -0.286
   92   HG13  ILE  14          HG13      ILE  13  -2.839  -1.346   0.067
   93   HG21  ILE  14          HG21      ILE  13  -3.994  -0.808  -2.950
   94   HG22  ILE  14          HG22      ILE  13  -2.435  -0.098  -3.356
   95   HG23  ILE  14          HG23      ILE  13  -3.164   0.221  -1.786
   96   HD11  ILE  14          HD11      ILE  13  -4.900  -2.750   0.083
   97   HD12  ILE  14          HD12      ILE  13  -4.621  -3.150  -1.607
   98   HD13  ILE  14          HD13      ILE  13  -4.969  -1.484  -1.140
   99    H    ARG  15           H        ARG  14  -3.226  -2.929  -5.363
  100    HA   ARG  15           HA       ARG  14  -0.857  -2.935  -6.842
  101    HB2  ARG  15           HB2      ARG  14  -2.240  -2.339  -8.741
  102    HB3  ARG  15           HB3      ARG  14  -3.140  -3.455  -7.716
  103    HG2  ARG  15           HG2      ARG  14  -4.298  -1.532  -6.662
  104    HG3  ARG  15           HG3      ARG  14  -3.433  -0.436  -7.736
  105    HD2  ARG  15           HD2      ARG  14  -5.262  -2.663  -8.661
  106    HD3  ARG  15           HD3      ARG  14  -5.717  -0.963  -8.556
  107    HE   ARG  15           HE       ARG  14  -3.394  -1.087 -10.090
  108   HH11  ARG  15          HH11      ARG  14  -6.680  -2.245 -10.232
  109   HH12  ARG  15          HH12      ARG  14  -6.734  -2.235 -11.960
  110   HH21  ARG  15          HH21      ARG  14  -3.490  -1.088 -12.350
  111   HH22  ARG  15          HH22      ARG  14  -4.941  -1.584 -13.155
  112    H    SER  16           H        SER  15  -2.668  -0.282  -5.445
  113    HA   SER  16           HA       SER  15  -1.428   1.816  -6.875
  114    HB2  SER  16           HB2      SER  15  -3.505   2.129  -5.594
  115    HB3  SER  16           HB3      SER  15  -2.620   1.859  -4.094
  116    HG   SER  16           HG       SER  15  -2.907   4.114  -5.427
  117    H    CYS  17           H        CYS  16  -0.611   0.168  -3.859
  118    HA   CYS  17           HA       CYS  16   1.653   1.885  -3.302
  119    HB2  CYS  17           HB2      CYS  16   0.357  -0.467  -2.035
  120    HB3  CYS  17           HB3      CYS  16   2.033  -0.166  -1.638
  121    HN1  NH2  18           HN1      NH2 102   1.141  -1.232  -4.905
  122    HN2  NH2  18           HN2      NH2 102   2.775  -1.484  -5.310
  Start of MODEL   19
    1    H1   ACE   1           H1       ACE   0  -6.683   9.230  -5.997
    2    H2   ACE   1           H2       ACE   0  -5.845  10.781  -5.941
    3    H3   ACE   1           H3       ACE   0  -6.326   9.984  -4.443
    4    H    GLY   2           H1       GLY   1  -5.371   7.726  -4.152
    5    HA2  GLY   2           HA2      GLY   1  -3.054   6.887  -5.508
    6    HA3  GLY   2           HA3      GLY   1  -2.561   7.880  -4.138
    7    H    CYS   3           H        CYS   2  -1.560   5.674  -3.645
    8    HA   CYS   3           HA       CYS   2  -3.154   3.513  -2.858
    9    HB2  CYS   3           HB2      CYS   2  -0.707   3.384  -3.278
   10    HB3  CYS   3           HB3      CYS   2  -0.445   4.232  -1.751
   11    HA   PRO   4           HA       PRO   3  -4.816   5.272   0.932
   12    HB2  PRO   4           HB2      PRO   3  -5.955   3.012   1.966
   13    HB3  PRO   4           HB3      PRO   3  -6.672   3.944   0.636
   14    HG2  PRO   4           HG2      PRO   3  -5.082   1.427   0.544
   15    HG3  PRO   4           HG3      PRO   3  -6.517   1.896  -0.389
   16    HD2  PRO   4           HD2      PRO   3  -3.982   2.014  -1.407
   17    HD3  PRO   4           HD3      PRO   3  -5.287   3.104  -1.929
   18    H    CYS   5           H        CYS   4  -2.575   2.630   0.801
   19    HA   CYS   5           HA       CYS   4  -2.102   2.537   3.660
   20    HB2  CYS   5           HB2      CYS   4  -0.964   1.157   1.262
   21    HB3  CYS   5           HB3      CYS   4  -0.076   1.125   2.785
   22    H    ILE   6           H        ILE   5  -0.709   3.738   4.763
   23    HA   ILE   6           HA       ILE   5   0.694   5.897   3.610
   24    HB   ILE   6           HB       ILE   5   1.000   4.527   6.291
   25   HG12  ILE   6          HG12      ILE   5  -0.263   7.180   5.557
   26   HG13  ILE   6          HG13      ILE   5  -1.180   5.680   5.697
   27   HG21  ILE   6          HG21      ILE   5   2.191   7.107   5.223
   28   HG22  ILE   6          HG22      ILE   5   3.077   5.687   5.778
   29   HG23  ILE   6          HG23      ILE   5   2.166   6.663   6.930
   30   HD11  ILE   6          HD11      ILE   5  -0.447   5.428   8.029
   31   HD12  ILE   6          HD12      ILE   5  -1.246   6.984   7.805
   32   HD13  ILE   6          HD13      ILE   5   0.514   6.901   7.899
   33    H    TRP   7           H        TRP   6   1.764   2.699   4.733
   34    HA   TRP   7           HA       TRP   6   4.354   3.198   3.434
   35    HB2  TRP   7           HB2      TRP   6   3.605   1.162   5.523
   36    HB3  TRP   7           HB3      TRP   6   5.207   1.331   4.799
   37    HD1  TRP   7           HD1      TRP   6   2.747   3.117   7.108
   38    HE1  TRP   7           HE1      TRP   6   4.001   4.965   8.393
   39    HE3  TRP   7           HE3      TRP   6   7.279   2.899   4.768
   40    HZ2  TRP   7           HZ2      TRP   6   6.585   6.191   8.426
   41    HZ3  TRP   7           HZ3      TRP   6   9.120   4.420   5.444
   42    HH2  TRP   7           HH2      TRP   6   8.777   6.063   7.269
   43    HA   PRO   8           HA       PRO   7   2.495   0.351   0.406
   44    HB2  PRO   8           HB2      PRO   7   4.487   0.542  -1.465
   45    HB3  PRO   8           HB3      PRO   7   3.213   1.758  -1.275
   46    HG2  PRO   8           HG2      PRO   7   6.016   1.786  -0.261
   47    HG3  PRO   8           HG3      PRO   7   5.067   3.088  -1.002
   48    HD2  PRO   8           HD2      PRO   7   5.422   2.910   1.679
   49    HD3  PRO   8           HD3      PRO   7   3.934   3.568   0.962
   50    H    GLU   9           H        GLU   8   5.604   0.120   1.920
   51    HA   GLU   9           HA       GLU   8   6.303  -2.456   0.902
   52    HB2  GLU   9           HB2      GLU   8   8.050  -2.417   2.530
   53    HB3  GLU   9           HB3      GLU   8   7.877  -0.767   1.933
   54    HG2  GLU   9           HG2      GLU   8   6.357  -0.307   3.893
   55    HG3  GLU   9           HG3      GLU   8   6.794  -1.895   4.522
   56    H    LEU  10           H        LEU   9   4.089  -1.345   3.306
   57    HA   LEU  10           HA       LEU   9   3.957  -3.993   4.575
   58    HB2  LEU  10           HB2      LEU   9   2.590  -1.396   5.334
   59    HB3  LEU  10           HB3      LEU   9   2.594  -2.888   6.279
   60    HG   LEU  10           HG       LEU   9   5.062  -1.297   5.524
   61   HD11  LEU  10          HD11      LEU   9   3.475  -1.507   8.090
   62   HD12  LEU  10          HD12      LEU   9   3.860  -0.050   7.174
   63   HD13  LEU  10          HD13      LEU   9   5.133  -0.910   8.038
   64   HD21  LEU  10          HD21      LEU   9   6.090  -2.843   7.289
   65   HD22  LEU  10          HD22      LEU   9   5.676  -3.597   5.748
   66   HD23  LEU  10          HD23      LEU   9   4.623  -3.814   7.147
   67    H    CYS  11           H        CYS  10   2.548  -2.372   2.019
   68    HA   CYS  11           HA       CYS  10   0.115  -4.031   2.222
   69    HB2  CYS  11           HB2      CYS  10   0.366  -1.168   1.289
   70    HB3  CYS  11           HB3      CYS  10  -1.042  -2.170   0.959
   71    HA   PRO  12           HA       PRO  11   2.552  -4.777  -1.702
   72    HB2  PRO  12           HB2      PRO  11   2.678  -7.495  -1.412
   73    HB3  PRO  12           HB3      PRO  11   3.887  -6.383  -0.737
   74    HG2  PRO  12           HG2      PRO  11   1.589  -7.727   0.607
   75    HG3  PRO  12           HG3      PRO  11   3.239  -7.450   1.196
   76    HD2  PRO  12           HD2      PRO  11   1.126  -5.895   1.961
   77    HD3  PRO  12           HD3      PRO  11   2.791  -5.274   1.849
   78    H    TRP  13           H        TRP  12  -0.343  -5.966  -0.264
   79    HA   TRP  13           HA       TRP  12  -1.352  -7.244  -2.648
   80    HB2  TRP  13           HB2      TRP  12  -3.505  -7.334  -1.266
   81    HB3  TRP  13           HB3      TRP  12  -2.123  -8.240  -0.654
   82    HD1  TRP  13           HD1      TRP  12  -4.043  -4.975  -0.071
   83    HE1  TRP  13           HE1      TRP  12  -3.569  -4.158   2.325
   84    HE3  TRP  13           HE3      TRP  12  -0.567  -8.425   1.350
   85    HZ2  TRP  13           HZ2      TRP  12  -1.934  -4.884   4.557
   86    HZ3  TRP  13           HZ3      TRP  12   0.428  -8.347   3.620
   87    HH2  TRP  13           HH2      TRP  12  -0.252  -6.583   5.223
   88    H    ILE  14           H        ILE  13  -0.825  -4.105  -2.080
   89    HA   ILE  14           HA       ILE  13  -3.357  -3.217  -3.325
   90    HB   ILE  14           HB       ILE  13  -1.284  -1.586  -1.855
   91   HG12  ILE  14          HG12      ILE  13  -2.534  -3.174  -0.395
   92   HG13  ILE  14          HG13      ILE  13  -2.830  -1.481  -0.008
   93   HG21  ILE  14          HG21      ILE  13  -3.171   0.109  -1.856
   94   HG22  ILE  14          HG22      ILE  13  -3.981  -0.923  -3.035
   95   HG23  ILE  14          HG23      ILE  13  -2.424  -0.196  -3.421
   96   HD11  ILE  14          HD11      ILE  13  -4.660  -3.143  -1.777
   97   HD12  ILE  14          HD12      ILE  13  -4.976  -1.535  -1.132
   98   HD13  ILE  14          HD13      ILE  13  -4.905  -2.921  -0.046
   99    H    ARG  15           H        ARG  14  -3.248  -2.787  -5.414
  100    HA   ARG  15           HA       ARG  14  -0.856  -2.838  -6.908
  101    HB2  ARG  15           HB2      ARG  14  -2.236  -2.204  -8.790
  102    HB3  ARG  15           HB3      ARG  14  -3.142  -3.342  -7.792
  103    HG2  ARG  15           HG2      ARG  14  -4.303  -1.440  -6.704
  104    HG3  ARG  15           HG3      ARG  14  -3.430  -0.320  -7.746
  105    HD2  ARG  15           HD2      ARG  14  -5.255  -2.523  -8.730
  106    HD3  ARG  15           HD3      ARG  14  -5.703  -0.825  -8.600
  107    HE   ARG  15           HE       ARG  14  -3.380  -0.912 -10.121
  108   HH11  ARG  15          HH11      ARG  14  -6.642  -2.140 -10.295
  109   HH12  ARG  15          HH12      ARG  14  -6.683  -2.119 -12.024
  110   HH21  ARG  15          HH21      ARG  14  -3.468  -0.898 -12.384
  111   HH22  ARG  15          HH22      ARG  14  -4.904  -1.422 -13.198
  112    H    SER  16           H        SER  15  -2.680  -0.237  -5.431
  113    HA   SER  16           HA       SER  15  -1.467   1.917  -6.797
  114    HB2  SER  16           HB2      SER  15  -2.735   1.770  -4.061
  115    HB3  SER  16           HB3      SER  15  -2.243   3.268  -4.844
  116    HG   SER  16           HG       SER  15  -4.205   3.126  -5.630
  117    H    CYS  17           H        CYS  16  -0.610   0.182  -3.848
  118    HA   CYS  17           HA       CYS  16   1.659   1.889  -3.285
  119    HB2  CYS  17           HB2      CYS  16   0.369  -0.479  -2.023
  120    HB3  CYS  17           HB3      CYS  16   2.049  -0.153  -1.630
  121    HN1  NH2  18           HN1      NH2 102   1.104  -0.818  -5.336
  122    HN2  NH2  18           HN2      NH2 102   2.733  -1.256  -5.567
  Start of MODEL   20
    1    H1   ACE   1           H1       ACE   0  -6.619   8.517  -6.809
    2    H2   ACE   1           H2       ACE   0  -5.945  10.141  -6.946
    3    H3   ACE   1           H3       ACE   0  -6.523   9.554  -5.387
    4    H    GLY   2           H1       GLY   1  -5.418   7.385  -4.729
    5    HA2  GLY   2           HA2      GLY   1  -2.828   6.741  -5.647
    6    HA3  GLY   2           HA3      GLY   1  -2.689   7.864  -4.294
    7    H    CYS   3           H        CYS   2  -1.556   5.609  -3.733
    8    HA   CYS   3           HA       CYS   2  -3.162   3.490  -2.873
    9    HB2  CYS   3           HB2      CYS   2  -0.742   3.296  -3.296
   10    HB3  CYS   3           HB3      CYS   2  -0.442   4.243  -1.841
   11    HA   PRO   4           HA       PRO   3  -4.764   5.388   0.847
   12    HB2  PRO   4           HB2      PRO   3  -6.028   3.196   1.847
   13    HB3  PRO   4           HB3      PRO   3  -6.653   4.118   0.463
   14    HG2  PRO   4           HG2      PRO   3  -5.147   1.547   0.503
   15    HG3  PRO   4           HG3      PRO   3  -6.516   2.043  -0.512
   16    HD2  PRO   4           HD2      PRO   3  -3.919   2.060  -1.366
   17    HD3  PRO   4           HD3      PRO   3  -5.172   3.131  -2.022
   18    H    CYS   5           H        CYS   4  -2.630   2.659   0.755
   19    HA   CYS   5           HA       CYS   4  -2.241   2.532   3.623
   20    HB2  CYS   5           HB2      CYS   4  -1.308   1.032   1.253
   21    HB3  CYS   5           HB3      CYS   4  -0.162   1.127   2.595
   22    H    ILE   6           H        ILE   5  -0.744   3.606   4.784
   23    HA   ILE   6           HA       ILE   5   0.690   5.772   3.662
   24    HB   ILE   6           HB       ILE   5   0.982   4.355   6.318
   25   HG12  ILE   6          HG12      ILE   5  -0.224   7.046   5.613
   26   HG13  ILE   6          HG13      ILE   5  -1.173   5.564   5.764
   27   HG21  ILE   6          HG21      ILE   5   3.082   5.441   5.868
   28   HG22  ILE   6          HG22      ILE   5   2.186   6.506   6.947
   29   HG23  ILE   6          HG23      ILE   5   2.272   6.869   5.225
   30   HD11  ILE   6          HD11      ILE   5  -0.379   5.294   8.088
   31   HD12  ILE   6          HD12      ILE   5  -1.207   6.836   7.877
   32   HD13  ILE   6          HD13      ILE   5   0.555   6.782   7.940
   33    H    TRP   7           H        TRP   6   1.686   2.518   4.663
   34    HA   TRP   7           HA       TRP   6   4.294   2.985   3.420
   35    HB2  TRP   7           HB2      TRP   6   3.512   0.915   5.445
   36    HB3  TRP   7           HB3      TRP   6   5.119   1.092   4.737
   37    HD1  TRP   7           HD1      TRP   6   2.752   2.658   7.247
   38    HE1  TRP   7           HE1      TRP   6   3.994   4.502   8.552
   39    HE3  TRP   7           HE3      TRP   6   7.085   2.887   4.550
   40    HZ2  TRP   7           HZ2      TRP   6   6.492   5.892   8.465
   41    HZ3  TRP   7           HZ3      TRP   6   8.877   4.479   5.183
   42    HH2  TRP   7           HH2      TRP   6   8.586   5.979   7.134
   43    HA   PRO   8           HA       PRO   7   2.485   0.223   0.321
   44    HB2  PRO   8           HB2      PRO   7   4.487   0.460  -1.509
   45    HB3  PRO   8           HB3      PRO   7   3.269   1.726  -1.268
   46    HG2  PRO   8           HG2      PRO   7   6.053   1.555  -0.193
   47    HG3  PRO   8           HG3      PRO   7   5.201   2.940  -0.903
   48    HD2  PRO   8           HD2      PRO   7   5.463   2.618   1.769
   49    HD3  PRO   8           HD3      PRO   7   4.039   3.402   1.043
   50    H    GLU   9           H        GLU   8   5.558  -0.001   1.884
   51    HA   GLU   9           HA       GLU   8   6.304  -2.576   0.867
   52    HB2  GLU   9           HB2      GLU   8   8.056  -2.496   2.509
   53    HB3  GLU   9           HB3      GLU   8   7.891  -0.871   1.852
   54    HG2  GLU   9           HG2      GLU   8   6.368  -0.335   3.793
   55    HG3  GLU   9           HG3      GLU   8   6.796  -1.902   4.478
   56    H    LEU  10           H        LEU   9   4.184  -1.386   3.313
   57    HA   LEU  10           HA       LEU   9   4.009  -3.986   4.650
   58    HB2  LEU  10           HB2      LEU   9   2.646  -1.355   5.280
   59    HB3  LEU  10           HB3      LEU   9   2.626  -2.808   6.287
   60    HG   LEU  10           HG       LEU   9   5.111  -1.256   5.515
   61   HD11  LEU  10          HD11      LEU   9   3.441  -0.208   7.189
   62   HD12  LEU  10          HD12      LEU   9   5.117  -0.362   7.706
   63   HD13  LEU  10          HD13      LEU   9   3.908  -1.515   8.274
   64   HD21  LEU  10          HD21      LEU   9   4.622  -3.696   7.238
   65   HD22  LEU  10          HD22      LEU   9   6.102  -2.744   7.336
   66   HD23  LEU  10          HD23      LEU   9   5.681  -3.566   5.835
   67    H    CYS  11           H        CYS  10   2.510  -2.156   2.201
   68    HA   CYS  11           HA       CYS  10   0.152  -3.940   2.300
   69    HB2  CYS  11           HB2      CYS  10   0.338  -1.050   1.414
   70    HB3  CYS  11           HB3      CYS  10  -1.067  -2.075   1.145
   71    HA   PRO  12           HA       PRO  11   2.590  -4.470  -1.657
   72    HB2  PRO  12           HB2      PRO  11   2.936  -7.161  -1.443
   73    HB3  PRO  12           HB3      PRO  11   4.039  -5.984  -0.698
   74    HG2  PRO  12           HG2      PRO  11   1.805  -7.527   0.549
   75    HG3  PRO  12           HG3      PRO  11   3.443  -7.207   1.164
   76    HD2  PRO  12           HD2      PRO  11   1.280  -5.771   1.994
   77    HD3  PRO  12           HD3      PRO  11   2.910  -5.072   1.878
   78    H    TRP  13           H        TRP  12  -0.254  -5.721  -0.260
   79    HA   TRP  13           HA       TRP  12  -1.186  -7.113  -2.630
   80    HB2  TRP  13           HB2      TRP  12  -3.329  -7.272  -1.230
   81    HB3  TRP  13           HB3      TRP  12  -1.908  -8.143  -0.647
   82    HD1  TRP  13           HD1      TRP  12  -3.848  -4.880  -0.039
   83    HE1  TRP  13           HE1      TRP  12  -3.373  -4.084   2.364
   84    HE3  TRP  13           HE3      TRP  12  -0.344  -8.320   1.340
   85    HZ2  TRP  13           HZ2      TRP  12  -1.724  -4.816   4.585
   86    HZ3  TRP  13           HZ3      TRP  12   0.660  -8.252   3.606
   87    HH2  TRP  13           HH2      TRP  12  -0.025  -6.506   5.227
   88    H    ILE  14           H        ILE  13  -0.803  -3.969  -1.983
   89    HA   ILE  14           HA       ILE  13  -3.348  -3.128  -3.210
   90    HB   ILE  14           HB       ILE  13  -1.256  -1.496  -1.784
   91   HG12  ILE  14          HG12      ILE  13  -2.426  -3.077  -0.308
   92   HG13  ILE  14          HG13      ILE  13  -2.825  -1.410   0.076
   93   HG21  ILE  14          HG21      ILE  13  -3.150   0.186  -1.753
   94   HG22  ILE  14          HG22      ILE  13  -3.985  -0.858  -2.899
   95   HG23  ILE  14          HG23      ILE  13  -2.455  -0.110  -3.342
   96   HD11  ILE  14          HD11      ILE  13  -4.520  -3.288  -1.611
   97   HD12  ILE  14          HD12      ILE  13  -4.914  -1.609  -1.248
   98   HD13  ILE  14          HD13      ILE  13  -4.860  -2.802   0.037
   99    H    ARG  15           H        ARG  14  -3.259  -2.885  -5.327
  100    HA   ARG  15           HA       ARG  14  -0.922  -2.885  -6.868
  101    HB2  ARG  15           HB2      ARG  14  -2.341  -2.289  -8.734
  102    HB3  ARG  15           HB3      ARG  14  -3.219  -3.416  -7.701
  103    HG2  ARG  15           HG2      ARG  14  -4.380  -1.521  -6.627
  104    HG3  ARG  15           HG3      ARG  14  -3.521  -0.398  -7.675
  105    HD2  ARG  15           HD2      ARG  14  -5.289  -2.619  -8.687
  106    HD3  ARG  15           HD3      ARG  14  -5.816  -0.952  -8.477
  107    HE   ARG  15           HE       ARG  14  -3.493  -0.929 -10.045
  108   HH11  ARG  15          HH11      ARG  14  -6.775  -2.065 -10.154
  109   HH12  ARG  15          HH12      ARG  14  -6.906  -1.921 -11.867
  110   HH21  ARG  15          HH21      ARG  14  -3.680  -0.737 -12.310
  111   HH22  ARG  15          HH22      ARG  14  -5.164  -1.172 -13.089
  112    H    SER  16           H        SER  15  -2.706  -0.244  -5.407
  113    HA   SER  16           HA       SER  15  -1.484   1.868  -6.847
  114    HB2  SER  16           HB2      SER  15  -2.760   1.822  -4.109
  115    HB3  SER  16           HB3      SER  15  -2.263   3.287  -4.949
  116    HG   SER  16           HG       SER  15  -4.322   3.040  -5.565
  117    H    CYS  17           H        CYS  16  -0.642   0.159  -3.871
  118    HA   CYS  17           HA       CYS  16   1.610   1.900  -3.311
  119    HB2  CYS  17           HB2      CYS  16   0.329  -0.427  -2.009
  120    HB3  CYS  17           HB3      CYS  16   2.010  -0.159  -1.655
  121    HN1  NH2  18           HN1      NH2 102   1.108  -0.810  -5.354
  122    HN2  NH2  18           HN2      NH2 102   2.748  -1.228  -5.564