*HEADER    HYDROLASE                               28-SEP-00   1E8R
*TITLE     SOLUTION STRUCTURE OF TYPE X CBD
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ENDO-1,4-BETA-XYLANASE;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: TYPE X CELLULOSE BINDING DOMAIN (CBDX);
*COMPND   5 EC: 3.2.1.8;
*COMPND   6 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS;
*SOURCE   3 PLASMID: BL21;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: BL21
*KEYWDS    HYDROLASE, BETA STRANDS, ANTIPARALLEL SHEETS
*EXPDTA    NMR, 5 STRUCTURES
*AUTHOR    S.RAGHOTHAMA,P.J.SIMPSON,H.J.GILBERT,M.P.WILLIAMSON
*REVDAT   1   03-OCT-00 1E8R    0





assign (resid  21 and name   hn )(resid  21 and name  ha+ )  2.80 0.90 0.00 !     s 7   

assign (resid  21 and name   hn )(resid  20 and name   ha )  5.30 3.40 0.00 !     w 1   

assign (resid  22 and name   hn )(resid  22 and name   ha )  3.20 1.30 0.00 !     m 6   
assign (resid  22 and name   hn )(resid  22 and name  hb+ )  4.00 2.10 0.00 !     w 4 (3 1) 
assign (resid  22 and name   ha )(resid  22 and name  hb+ )  3.20 1.30 0.00 !     s 6 (6 2) 

assign (resid  22 and name   hn )(resid  21 and name  ha+ )  3.60 1.70 0.00 !     m 5   

assign (resid  23 and name   hn )(resid  23 and name   ha )  3.60 1.70 0.00 !     m 5   
assign (resid  23 and name   hn )(resid  23 and name  hb2 )  3.20 1.30 0.00 !     s 6   
assign (resid  23 and name   hn )(resid  23 and name  hb1 )  4.00 2.10 0.00 !     w 4   
assign (resid  23 and name   hn )(resid  23 and name  hg+ )  2.80 0.90 0.00 !     m 7 (6 4) 
assign (resid  23 and name   ha )(resid  23 and name  hb2 )  4.50 2.60 0.00 !     m 3   
assign (resid  23 and name   ha )(resid  23 and name  hb1 )  5.00 3.10 0.00 !     w 2   
assign (resid  23 and name   ha )(resid  23 and name  hg+ )  3.60 1.70 0.00 !     m 5 (3 3) 

assign (resid  23 and name   hn )(resid  22 and name   ha )  2.50 0.60 0.00 !     s 8   
assign (resid  23 and name   hn )(resid  22 and name  hb+ )  3.60 1.70 0.00 !     m 5 (3 4) 

assign (resid  24 and name   hn )(resid  24 and name   ha )  3.60 1.70 0.00 !     m 5   
assign (resid  24 and name   hn )(resid  24 and name  hb+ )  4.00 2.10 0.00 !     w 4 ((4 1)) 
assign (resid  24 and name   hn )(resid  24 and name  hg+ )  4.00 2.10 0.00 !     w 4 ((1 4)) 
assign (resid  24 and name   ha )(resid  24 and name  hb+ )  3.60 1.70 0.00 !     m 5   
assign (resid  24 and name   ha )(resid  24 and name  hg+ )  3.60 1.70 0.00 !     m 5   
assign (resid  24 and name  hg+ )(resid  24 and name he2+ )  4.50 2.60 0.00 !     w 3 (1 1) 

assign (resid  24 and name   hn )(resid  23 and name   ha )  2.40 0.50 0.00 !     s 9   
assign (resid  24 and name   hn )(resid  23 and name  hb2 )  3.60 1.70 0.00 !     m 5   
assign (resid  24 and name   hn )(resid  23 and name  hb1 )  4.50 2.60 0.00 !     w 3   
assign (resid  24 and name   hn )(resid  23 and name  hg+ )  4.00 2.10 0.00 !     w 4 (2 2) 

assign (resid  25 and name   hn )(resid  25 and name   ha )  4.00 2.10 0.00 !     w 4   
assign (resid  25 and name   hn )(resid  25 and name  hb1 )  3.60 1.70 0.00 !     m 5   
assign (resid  25 and name   hn )(resid  25 and name  hb2 )  2.50 0.60 0.00 !     s 8   
assign (resid  25 and name   ha )(resid  25 and name  hb1 )  3.60 1.70 0.00 !     s 5   
assign (resid  25 and name   ha )(resid  25 and name  hb2 )  4.50 2.60 0.00 !     w 3   
assign (resid  25 and name  hb1 )(resid  25 and name  hb2 )  2.40 0.50 0.00 !     s 9 (10)  

assign (resid  25 and name   hn )(resid  24 and name   ha )  2.50 0.60 0.00 !     s 8   
assign (resid  25 and name   hn )(resid  24 and name  hb+ )  4.50 2.60 0.00 !     m 3   
assign (resid  25 and name   hn )(resid  24 and name  hg+ )  2.80 0.90 0.00 !     m 7 (6 4) 

assign (resid  26 and name   hn )(resid  26 and name   ha )  4.00 2.10 0.00 !     w 4   
assign (resid  26 and name   hn )(resid  26 and name  hb2 )  3.60 1.70 0.00 !     m 5   
assign (resid  26 and name   hn )(resid  26 and name  hb1 )  3.20 1.30 0.00 !     m 6   
assign (resid  26 and name   ha )(resid  26 and name  hb2 )  3.60 1.70 0.00 !     s 5   
assign (resid  26 and name   ha )(resid  26 and name  hb1 )  4.50 2.60 0.00 !     m 3   
assign (resid  26 and name  hb1 )(resid  26 and name  hb2 )  2.40 0.50 0.00 !     s 9   
assign (resid  26 and name  hb2 )(resid  26 and name hd2+ )  3.60 1.70 0.00 !     m 5 (3 4) 
assign (resid  26 and name  hb1 )(resid  26 and name hd2+ )  3.60 1.70 0.00 !     m 5 (3 4) 

assign (resid  26 and name   hn )(resid  25 and name   ha )  2.40 0.50 0.00 !     s 9   
assign (resid  26 and name   hn )(resid  25 and name  hb1 )  5.30 3.40 0.00 !     w 1   
assign (resid  26 and name   hn )(resid  25 and name  hb2 )  5.30 3.40 0.00 !     w 1   

assign (resid  27 and name   hn )(resid  27 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  27 and name   hn )(resid  27 and name  hb2 )  3.20 1.30 0.00 !     s 6   
assign (resid  27 and name   hn )(resid  27 and name  hb1 )  3.20 1.30 0.00 !     s 6   
assign (resid  27 and name   ha )(resid  27 and name  hb2 )  3.60 1.70 0.00 !     s 5   
assign (resid  27 and name   ha )(resid  27 and name  hb1 )  4.50 2.60 0.00 !     m 3   
assign (resid  27 and name   ha )(resid  27 and name  he3 )  3.20 1.30 0.00 !     s 6   
assign (resid  27 and name  hb1 )(resid  27 and name  hb2 )  2.40 0.50 0.00 !     s 9   
assign (resid  27 and name  hb2 )(resid  27 and name  hd1 )  3.20 1.30 0.00 !     m 6   
assign (resid  27 and name  hb1 )(resid  27 and name  hd1 )  2.80 0.90 0.00 !     s 7   
assign (resid  27 and name  hb2 )(resid  27 and name  he3 )  3.20 1.30 0.00 !     m 6   
assign (resid  27 and name  hb1 )(resid  27 and name  he3 )  5.00 3.10 0.00 !     w 2   
assign (resid  27 and name  hd1 )(resid  27 and name  he1 )  2.80 0.90 0.00 !     s 7   
assign (resid  27 and name  he1 )(resid  27 and name  hz2 )  3.60 1.70 0.00 !     m 5   
assign (resid  27 and name  he3 )(resid  27 and name  hz3 )  2.80 0.90 0.00 !     s 7   
assign (resid  27 and name  hz3 )(resid  27 and name  hh2 )  2.50 0.60 0.00 !     s 8   

assign (resid  27 and name   hn )(resid  26 and name   ha )  2.40 0.50 0.00 !     s 9   
assign (resid  27 and name   hn )(resid  26 and name  hb2 )  5.30 3.40 0.00 !     w 1   

assign (resid  28 and name   hn )(resid  28 and name   ha )  2.50 0.60 0.00 !     s 8   
assign (resid  28 and name   hn )(resid  28 and name  hb2 )  4.50 2.60 0.00 !     m 3   
assign (resid  28 and name   hn )(resid  28 and name  hb1 )  4.50 2.60 0.00 !     w 3   
assign (resid  28 and name   hn )(resid  28 and name  hd+ )  3.60 1.70 0.00 !     m 5   
assign (resid  28 and name   hn )(resid  28 and name  he+ )  5.30 3.40 0.00 !     w 1   
assign (resid  28 and name   ha )(resid  28 and name  hb2 )  3.60 1.70 0.00 !     m 5   
assign (resid  28 and name   ha )(resid  28 and name  hb1 )  3.20 1.30 0.00 !     s 6   
assign (resid  28 and name   ha )(resid  28 and name  hd+ )  2.80 0.90 0.00 !     s 7   
assign (resid  28 and name   ha )(resid  28 and name  he+ )  5.00 3.10 0.00 !     w 2   
assign (resid  28 and name  hb1 )(resid  28 and name  hb2 )  2.40 0.50 0.00 !     s 9 (10)  
assign (resid  28 and name  hb2 )(resid  28 and name  hd+ )  2.80 0.90 0.00 !     s 7   
assign (resid  28 and name  hb1 )(resid  28 and name  hd+ )  2.50 0.60 0.00 !     s 8   
assign (resid  28 and name  hb2 )(resid  28 and name  he+ )  4.50 2.60 0.00 !     w 3   
assign (resid  28 and name  hb1 )(resid  28 and name  he+ )  5.00 3.10 0.00 !     w 2   

assign (resid  28 and name   hn )(resid  27 and name   ha )  2.40 0.50 0.00 !     s 9   

assign (resid  29 and name   hn )(resid  29 and name  ha+ )  4.50 2.60 0.00 !     w 3   

assign (resid  29 and name   hn )(resid  28 and name   ha )  3.20 1.30 0.00 !     s 6   
assign (resid  29 and name   hn )(resid  28 and name  hb2 )  4.00 2.10 0.00 !     m 4   

assign (resid  29 and name   hn )(resid  30 and name   hn )  2.80 0.90 0.00 !     s 7   

assign (resid  30 and name   hn )(resid  30 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  30 and name   hn )(resid  30 and name   hb )  4.50 2.60 0.00 !     m 3   
assign (resid  30 and name   hn )(resid  30 and name hg2+ )  4.50 2.60 0.00 !     m 3   
assign (resid  30 and name   ha )(resid  30 and name hg2+ )  3.20 1.30 0.00 !     s 6   
assign (resid  30 and name   ha )(resid  30 and name   hb )  5.30 3.40 0.00 !     w 1   
assign (resid  30 and name   hb )(resid  30 and name hg2+ )  3.20 1.30 0.00 !     s 6   

assign (resid  30 and name   hn )(resid  29 and name  ha+ )  4.50 2.60 0.00 !     w 3   

assign (resid  31 and name   hn )(resid  31 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  31 and name   hn )(resid  31 and name  hb+ )  2.40 0.50 0.00 !     s 9 (5 9) 
assign (resid  31 and name   hn )(resid  31 and name hd++ )  3.20 1.30 0.00 !     m 6 (3 5) 
assign (resid  31 and name   ha )(resid  31 and name  hb+ )  2.50 0.60 0.00 !     s 8 (6 6) 
assign (resid  31 and name   ha )(resid  31 and name hd++ )  2.40 0.50 0.00 !     s 9 (7 7) 
assign (resid  31 and name  hb+ )(resid  31 and name hd++ )  2.40 0.50 0.00 !     s 9 (7 7) 

assign (resid  31 and name   hn )(resid  30 and name   ha )  4.50 2.60 0.00 !     m 3   
assign (resid  31 and name   hn )(resid  30 and name   hb )  4.00 2.10 0.00 !     m 4   
assign (resid  31 and name   hn )(resid  30 and name hg2+ )  3.20 1.30 0.00 !     s 6   

assign (resid  32 and name   hn )(resid  32 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  32 and name   hn )(resid  32 and name  hb2 )  3.60 1.70 0.00 !     s 5   
assign (resid  32 and name   hn )(resid  32 and name  hb1 )  5.00 3.10 0.00 !     w 2   
assign (resid  32 and name   ha )(resid  32 and name  hb2 )  5.30 3.40 0.00 !     w 1   
assign (resid  32 and name   ha )(resid  32 and name  hb1 )  4.50 2.60 0.00 !     m 3   
assign (resid  32 and name   ha )(resid  32 and name  hd+ )  3.60 1.70 0.00 !     m 5   
assign (resid  32 and name   ha )(resid  32 and name  he+ )  5.30 3.40 0.00 !     w 1   
assign (resid  32 and name  hb1 )(resid  32 and name  hb2 )  2.40 0.50 0.00 !     s 9   
assign (resid  32 and name  hb2 )(resid  32 and name  hd+ )  2.80 0.90 0.00 !     s 7   
assign (resid  32 and name  hb2 )(resid  32 and name  he+ )  5.00 3.10 0.00 !     w 2   
assign (resid  32 and name  hb1 )(resid  32 and name  hd+ )  2.80 0.90 0.00 !     s 7   
assign (resid  32 and name  hb1 )(resid  32 and name  he+ )  4.50 2.60 0.00 !     w 3   
assign (resid  32 and name  hd+ )(resid  32 and name  he+ )  2.80 0.90 0.00 !     s 7   

assign (resid  32 and name   hn )(resid  31 and name   ha )  2.40 0.50 0.00 !     s 9 (10)  
assign (resid  32 and name   hn )(resid  31 and name  hb+ )  3.60 1.70 0.00 !     m 5 (4 3) 
assign (resid  32 and name   hn )(resid  31 and name hd++ )  3.20 1.30 0.00 !     s 6 (5 2) 

assign (resid  32 and name   ha )(resid  33 and name  hd+ )  2.80 0.90 0.00 !     s 7 (5 5) 
assign (resid  32 and name  hb2 )(resid  33 and name  hd+ )  4.00 2.10 0.00 !     w 4 (2 2) 
assign (resid  32 and name  hb1 )(resid  33 and name  hd+ )  3.60 1.70 0.00 !     m 5 (3 4) 

assign (resid  34 and name   hn )(resid  34 and name   ha )  4.00 2.10 0.00 !     w 4   
assign (resid  34 and name   hn )(resid  34 and name  hb+ )  2.50 0.60 0.00 !     s 8 (4 7) 
assign (resid  34 and name   hn )(resid  34 and name   hg )  3.60 1.70 0.00 !     m 5   
assign (resid  34 and name   hn )(resid  34 and name hd++ )  4.00 2.10 0.00 !     m 4   
assign (resid  34 and name   ha )(resid  34 and name  hb+ )  2.80 0.90 0.00 !     s 7 (5 5) 
assign (resid  34 and name   ha )(resid  34 and name   hg )  4.00 2.10 0.00 !     m 4   
assign (resid  34 and name   ha )(resid  34 and name hd++ )  2.50 0.60 0.00 !     s 8   

assign (resid  34 and name   hn )(resid  33 and name   ha )  3.20 1.30 0.00 !     s 6   
assign (resid  34 and name   hn )(resid  33 and name  hb+ )  3.20 1.30 0.00 !     m 6 (4 4) 
assign (resid  34 and name   hn )(resid  33 and name  hg+ )  5.30 3.40 0.00 !     w 1 (1 0) 

assign (resid  35 and name   hn )(resid  35 and name   ha )  4.50 2.60 0.00 !     w 3   
assign (resid  35 and name   hn )(resid  35 and name  hb+ )  4.00 2.10 0.00 !     m 4 (2 3) 

assign (resid  35 and name   hn )(resid  34 and name   ha )  2.50 0.60 0.00 !     s 8   
assign (resid  35 and name   hn )(resid  34 and name  hb+ )  3.20 1.30 0.00 !     m 6 (3 5) 
assign (resid  35 and name   hn )(resid  34 and name   hg )  5.30 3.40 0.00 !     w 1   
assign (resid  35 and name   hn )(resid  34 and name hd++ )  3.60 1.70 0.00 !     m 5   
assign (resid  35 and name   ha )(resid  34 and name   hg )  4.50 2.60 0.00 !     m 3   

assign (resid  36 and name   hn )(resid  36 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  36 and name   hn )(resid  36 and name   hb )  3.60 1.70 0.00 !     m 5   
assign (resid  36 and name   hn )(resid  36 and name hg1+ )  5.00 3.10 0.00 !     w 2   
assign (resid  36 and name   hn )(resid  36 and name hg2+ )  3.60 1.70 0.00 !     m 5   
assign (resid  36 and name   ha )(resid  36 and name   hb )  5.30 3.40 0.00 !     w 1   
assign (resid  36 and name   ha )(resid  36 and name hg1+ )  2.80 0.90 0.00 !     s 7   
assign (resid  36 and name   ha )(resid  36 and name hg2+ )  2.80 0.90 0.00 !     s 7   
assign (resid  36 and name   hb )(resid  36 and name hg1+ )  2.80 0.90 0.00 !     s 7   
assign (resid  36 and name   hb )(resid  36 and name hg2+ )  2.80 0.90 0.00 !     s 7   

assign (resid  36 and name   hn )(resid  35 and name   ha )  3.60 1.70 0.00 !     m 5   
assign (resid  36 and name   hn )(resid  35 and name  hb+ )  3.60 1.70 0.00 !     m 5 (2 4) 

assign (resid  36 and name   hn )(resid  37 and name   hn )  3.60 1.70 0.00 !     m 5   

assign (resid  37 and name   hn )(resid  37 and name   ha )  3.60 1.70 0.00 !     m 5   
assign (resid  37 and name   hn )(resid  37 and name   hb )  3.60 1.70 0.00 !     m 5   
assign (resid  37 and name   hn )(resid  37 and name hg2+ )  4.00 2.10 0.00 !     m 4   
assign (resid  37 and name   ha )(resid  37 and name   hb )  3.60 1.70 0.00 !     m 5   
assign (resid  37 and name   ha )(resid  37 and name hg2+ )  3.60 1.70 0.00 !     m 5   
assign (resid  37 and name   hb )(resid  37 and name hg2+ )  2.80 0.90 0.00 !     s 7   

assign (resid  37 and name   hn )(resid  36 and name   ha )  5.00 3.10 0.00 !     w 2   
assign (resid  37 and name   hn )(resid  36 and name   hb )  3.60 1.70 0.00 !     m 5   
assign (resid  37 and name   hn )(resid  36 and name hg1+ )  5.00 3.10 0.00 !     w 2   
assign (resid  37 and name   hn )(resid  36 and name hg2+ )  5.30 3.40 0.00 !     w 1   

assign (resid  37 and name   hn )(resid  38 and name   hn )  2.80 0.90 0.00 !     s 7   

assign (resid  38 and name   hn )(resid  38 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  38 and name   hn )(resid  38 and name   hb )  2.80 0.90 0.00 !     s 7   
assign (resid  38 and name   hn )(resid  38 and name hg2+ )  4.50 2.60 0.00 !     m 3   
assign (resid  38 and name   ha )(resid  38 and name   hb )  5.00 3.10 0.00 !     w 2   
assign (resid  38 and name   ha )(resid  38 and name hg2+ )  4.00 2.10 0.00 !     m 4   
assign (resid  38 and name   hb )(resid  38 and name hg2+ )  2.80 0.90 0.00 !     s 7   

assign (resid  38 and name   hn )(resid  37 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  38 and name   hn )(resid  37 and name   hb )  5.00 3.10 0.00 !     w 2   
assign (resid  38 and name   hn )(resid  37 and name hg2+ )  5.00 3.10 0.00 !     w 2   

assign (resid  39 and name   hn )(resid  39 and name   ha )  4.50 2.60 0.00 !     w 3   
assign (resid  39 and name   hn )(resid  39 and name   hb )  4.50 2.60 0.00 !     w 3   
assign (resid  39 and name   hn )(resid  39 and name hg2+ )  3.60 1.70 0.00 !     m 5   
assign (resid  39 and name   ha )(resid  39 and name hg2+ )  3.60 1.70 0.00 !     m 5   
assign (resid  39 and name   hb )(resid  39 and name hg2+ )  3.60 1.70 0.00 !     m 5   

assign (resid  39 and name   hn )(resid  38 and name hg2+ )  3.60 1.70 0.00 !     m 5   

assign (resid  39 and name   hn )(resid  40 and name   hn )  5.00 3.10 0.00 !     w 2   

assign (resid  40 and name   hn )(resid  40 and name   ha )  5.00 3.10 0.00 !     w 2   
assign (resid  40 and name   hn )(resid  40 and name  hb+ )  3.20 1.30 0.00 !     m 6   
assign (resid  40 and name   ha )(resid  40 and name  hb+ )  3.60 1.70 0.00 !     m 5   

assign (resid  40 and name   hn )(resid  39 and name   ha )  4.00 2.10 0.00 !     w 4   
assign (resid  40 and name  hb+ )(resid  39 and name hg2+ )  5.30 3.40 0.00 !     w 1   

assign (resid  40 and name   hn )(resid  41 and name   hn )  5.30 3.40 0.00 !     w 1   
 
assign (resid  41 and name   hn )(resid  41 and name  ha+ )  2.50 0.60 0.00 !     s 8 (7 4) 

assign (resid  41 and name   hn )(resid  40 and name   ha )  3.60 1.70 0.00 !     m 5   
assign (resid  41 and name   hn )(resid  40 and name  hb+ )  3.60 1.70 0.00 !     m 5   
assign (resid  41 and name  ha+ )(resid  40 and name  hb+ )  5.30 3.40 0.00 !     w 1   

assign (resid  42 and name   hn )(resid  42 and name   ha )  3.20 1.30 0.00 !     m 6   
assign (resid  42 and name   hn )(resid  42 and name  hb2 )  3.20 1.30 0.00 !     s 6   
assign (resid  42 and name   hn )(resid  42 and name  hb1 )  4.50 2.60 0.00 !     w 3   
assign (resid  42 and name   hn )(resid  42 and name  hd1 )  3.60 1.70 0.00 !     m 5   
assign (resid  42 and name   ha )(resid  42 and name  hb2 )  5.30 3.40 0.00 !     w 1   
assign (resid  42 and name   ha )(resid  42 and name  hb1 )  4.50 2.60 0.00 !     m 3   
assign (resid  42 and name   ha )(resid  42 and name  hd1 )  5.00 3.10 0.00 !     w 2   
assign (resid  42 and name   ha )(resid  42 and name  he3 )  4.00 2.10 0.00 !     m 4   
assign (resid  42 and name  hb2 )(resid  42 and name  hd1 )  3.20 1.30 0.00 !     s 6   
assign (resid  42 and name  hb1 )(resid  42 and name  hd1 )  4.00 2.10 0.00 !     m 4   
assign (resid  42 and name  hb2 )(resid  42 and name  he3 )  4.00 2.10 0.00 !     m 4   
assign (resid  42 and name  hb1 )(resid  42 and name  he3 )  3.20 1.30 0.00 !     s 6   
assign (resid  42 and name  hd1 )(resid  42 and name  he1 )  2.40 0.50 0.00 !     s 9   
assign (resid  42 and name  he1 )(resid  42 and name  hz2 )  3.60 1.70 0.00 !     m 5   
assign (resid  42 and name  he3 )(resid  42 and name  hz3 )  2.40 0.50 0.00 !     s 9   

assign (resid  42 and name   hn )(resid  41 and name  ha+ )  2.80 0.90 0.00 !     s 7 (5 5) 

assign (resid  43 and name   hn )(resid  43 and name  ha+ )  3.20 1.30 0.00 !     s 6 (6 5) 

assign (resid  43 and name   hn )(resid  42 and name   ha )  2.50 0.60 0.00 !     s 8   
assign (resid  43 and name   hn )(resid  42 and name  hb2 )  4.50 2.60 0.00 !     w 3   
assign (resid  43 and name   hn )(resid  42 and name  hb1 )  3.60 1.70 0.00 !     m 5   

assign (resid  44 and name   hn )(resid  44 and name   ha )  4.00 2.10 0.00 !     w 4   
assign (resid  44 and name   hn )(resid  44 and name  hb2 )  3.20 1.30 0.00 !     s 6   
assign (resid  44 and name   hn )(resid  44 and name  hb1 )  4.00 2.10 0.00 !     m 4   
assign (resid  44 and name   ha )(resid  44 and name  hb2 )  3.20 1.30 0.00 !     s 6   
assign (resid  44 and name   ha )(resid  44 and name  hb1 )  4.00 2.10 0.00 !     m 4   
assign (resid  44 and name   ha )(resid  44 and name  hd1 )  5.00 3.10 0.00 !     w 2   
assign (resid  44 and name   ha )(resid  44 and name  he3 )  3.20 1.30 0.00 !     s 6   
assign (resid  44 and name  hb2 )(resid  44 and name  hd1 )  3.60 1.70 0.00 !     m 5   
assign (resid  44 and name  hb1 )(resid  44 and name  hd1 )  2.80 0.90 0.00 !     s 7   
assign (resid  44 and name  hb2 )(resid  44 and name  he3 )  3.20 1.30 0.00 !     s 6   
assign (resid  44 and name  hb1 )(resid  44 and name  he3 )  4.00 2.10 0.00 !     m 4   
assign (resid  44 and name  hd1 )(resid  44 and name  he1 )  2.40 0.50 0.00 !     s 9   
assign (resid  44 and name  he1 )(resid  44 and name  hz2 )  2.50 0.60 0.00 !     s 8   

assign (resid  44 and name   hn )(resid  43 and name  ha+ )  2.50 0.60 0.00 !     s 8 (6 6) 

assign (resid  45 and name   hn )(resid  45 and name   ha )  5.00 3.10 0.00 !     w 2   
assign (resid  45 and name   hn )(resid  45 and name  hb+ )  4.00 2.10 0.00 !     m 4 (3 2) 
assign (resid  45 and name   hn )(resid  45 and name  hg+ )  5.00 3.10 0.00 !     w 2 (1 1) 
assign (resid  45 and name   ha )(resid  45 and name  hb+ )  4.00 2.10 0.00 !     m 4 (2 2) 
assign (resid  45 and name   ha )(resid  45 and name  hg+ )  5.00 3.10 0.00 !     w 2 (0 2) 
     
assign (resid  45 and name   hn )(resid  44 and name   ha )  2.40 0.50 0.00 !     s 9   
assign (resid  45 and name   hn )(resid  44 and name  hb2 )  5.00 3.10 0.00 !     w 2   

assign (resid  46 and name   hn )(resid  46 and name   ha )  2.40 0.50 0.00 !     s 9   
assign (resid  46 and name   hn )(resid  46 and name  hb+ )  4.00 2.10 0.00 !     m 4 (2 3) 
assign (resid  46 and name   ha )(resid  46 and name  hb+ )  2.50 0.60 0.00 !     s 8 (6 6) 

assign (resid  46 and name   hn )(resid  45 and name   ha )  4.50 2.60 0.00 !     w 3   
assign (resid  46 and name   hn )(resid  45 and name  hb+ )  4.00 2.10 0.00 !     m 4 (2 2) 

assign (resid  46 and name   hn )(resid  47 and name   hn )  3.20 1.30 0.00 !     m 6   

assign (resid  47 and name   hn )(resid  47 and name   ha )  2.40 0.50 0.00 !     s 9 (10)  
assign (resid  47 and name   hn )(resid  47 and name  hb+ )  2.80 0.90 0.00 !     m 7   
assign (resid  47 and name   hn )(resid  47 and name  hg+ )  4.50 2.60 0.00 !     w 3   
assign (resid  47 and name   ha )(resid  47 and name  hb+ )  2.80 0.90 0.00 !     s 7   
assign (resid  47 and name   ha )(resid  47 and name  hg+ )  3.60 1.70 0.00 !     m 5   
assign (resid  47 and name  hg+ )(resid  47 and name he2+ )  3.60 1.70 0.00 !     m 5   
 
assign (resid  47 and name   hn )(resid  46 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  47 and name   hn )(resid  46 and name  hb+ )  3.60 1.70 0.00 !     m 5 (0 5) 

assign (resid  47 and name   hn )(resid  48 and name   hn )  3.20 1.30 0.00 !     m 6   

assign (resid  48 and name   hn )(resid  48 and name   ha )  3.20 1.30 0.00 !     m 6   
assign (resid  48 and name   hn )(resid  48 and name  hb+ )  4.00 2.10 0.00 !     m 4   
assign (resid  48 and name   hn )(resid  48 and name  hg+ )  4.00 2.10 0.00 !     m 4   
assign (resid  48 and name   hn )(resid  48 and name  hd+ )  5.00 3.10 0.00 !     w 2 (1 1) 
assign (resid  48 and name   ha )(resid  48 and name  hb+ )  2.50 0.60 0.00 !     s 8   
assign (resid  48 and name   ha )(resid  48 and name  hg+ )  3.20 1.30 0.00 !     s 6 (1 6) 
assign (resid  48 and name  hb+ )(resid  48 and name  hd+ )  3.20 1.30 0.00 !     m 6 (4 4) 
assign (resid  48 and name  hb+ )(resid  48 and name   he )  5.00 3.10 0.00 !     w 2   
assign (resid  48 and name  hg+ )(resid  48 and name  hd+ )  2.80 0.90 0.00 !     s 7 (1+4 3+4) 
assign (resid  48 and name  hg+ )(resid  48 and name   he )  4.00 2.10 0.00 !     w 4 (2 2) 
assign (resid  48 and name  hd+ )(resid  48 and name   he )  3.20 1.30 0.00 !     s 6 (5 4) 

assign (resid  48 and name   hn )(resid  47 and name   ha )  3.20 1.30 0.00 !     s 6   

assign (resid  48 and name   hn )(resid  49 and name   hn )  5.00 3.10 0.00 !     w 2   

assign (resid  49 and name   hn )(resid  49 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  49 and name   hn )(resid  49 and name  hb1 )  4.00 2.10 0.00 !     m 4   
assign (resid  49 and name   hn )(resid  49 and name  hb2 )  4.00 2.10 0.00 !     m 4   
assign (resid  49 and name   ha )(resid  49 and name  hb1 )  3.60 1.70 0.00 !     s 5   
assign (resid  49 and name   ha )(resid  49 and name  hb2 )  4.00 2.10 0.00 !     m 4   

assign (resid  49 and name   hn )(resid  48 and name   ha )  2.80 0.90 0.00 !     s 7   
assign (resid  49 and name   hn )(resid  48 and name  hb+ )  2.80 0.90 0.00 !     s 7   
assign (resid  49 and name   hn )(resid  48 and name  hg+ )  4.00 2.10 0.00 !     m 4 (2 3) 

assign (resid  50 and name   hn )(resid  50 and name   ha )  4.50 2.60 0.00 !     w 3   
assign (resid  50 and name   hn )(resid  50 and name  hb1 )  4.00 2.10 0.00 !     m 4   
assign (resid  50 and name   ha )(resid  50 and name  hb1 )  2.80 0.90 0.00 !     s 7   
assign (resid  50 and name   ha )(resid  50 and name  hb2 )  2.80 0.90 0.00 !     s 7   

assign (resid  50 and name   hn )(resid  49 and name   ha )  2.40 0.50 0.00 !     s 9   
assign (resid  50 and name   hn )(resid  49 and name  hb1 )  5.00 3.10 0.00 !     w 2   
assign (resid  50 and name   hn )(resid  49 and name  hb2 )  5.00 3.10 0.00 !     w 2   

assign (resid  51 and name   hn )(resid  51 and name   ha )  4.50 2.60 0.00 !     w 3   
assign (resid  51 and name   hn )(resid  51 and name   hb )  4.00 2.10 0.00 !     m 4   
assign (resid  51 and name   hn )(resid  51 and name hg1+ )  4.50 2.60 0.00 !     w 3   
assign (resid  51 and name   hn )(resid  51 and name hg2+ )  3.60 1.70 0.00 !     m 5   
assign (resid  51 and name   ha )(resid  51 and name   hb )  3.60 1.70 0.00 !     m 5   
assign (resid  51 and name   ha )(resid  51 and name hg1+ )  3.60 1.70 0.00 !     m 5 (3 4) 
assign (resid  51 and name   ha )(resid  51 and name hg2+ )  3.20 1.30 0.00 !     s 6   
assign (resid  51 and name   ha )(resid  51 and name hd1+ )  4.50 2.60 0.00 !     m 3   
assign (resid  51 and name   hb )(resid  51 and name hg1+ )  4.00 2.10 0.00 !     m 4 (1 3) 
assign (resid  51 and name   hb )(resid  51 and name hg2+ )  2.40 0.50 0.00 !     s 9   
assign (resid  51 and name   hb )(resid  51 and name hd1+ )  4.00 2.10 0.00 !     m 4   
assign (resid  51 and name hg1+ )(resid  51 and name hg2+ )  2.80 0.90 0.00 !     s 7 (6 5) 
assign (resid  51 and name hg1+ )(resid  51 and name hd1+ )  2.40 0.50 0.00 !     s 9 (8 8) 
assign (resid  51 and name hg2+ )(resid  51 and name hd1+ )  2.50 0.60 0.00 !     s 8   

assign (resid  51 and name   hn )(resid  50 and name   ha )  2.50 0.60 0.00 !     s 8   
assign (resid  51 and name   hn )(resid  50 and name  hb1 )  4.00 2.10 0.00 !     m 4   
assign (resid  51 and name   hn )(resid  50 and name  hb2 )  3.60 1.70 0.00 !     s 5   


assign (resid  52 and name   hn )(resid  52 and name   ha )  2.80 0.90 0.00 !     s 7   
assign (resid  52 and name   hn )(resid  52 and name  hb+ )  2.40 0.50 0.00 !     s 9   
assign (resid  52 and name   ha )(resid  52 and name  hb+ )  2.80 0.90 0.00 !     s 7   

assign (resid  52 and name   hn )(resid  51 and name   ha )  2.40 0.50 0.00 !     s 9   
assign (resid  52 and name   hn )(resid  51 and name   hb )  5.00 3.10 0.00 !     w 2   
assign (resid  52 and name   hn )(resid  51 and name hg1+ )  3.60 1.70 0.00 !     m 5 (3 3) 
assign (resid  52 and name   hn )(resid  51 and name hg2+ )  3.20 1.30 0.00 !     s 6   
assign (resid  52 and name   hn )(resid  51 and name hd1+ )  5.30 3.40 0.00 !     w 1   
assign (resid  52 and name   ha )(resid  51 and name hg2+ )  5.30 3.40 0.00 !     w 1   
assign (resid  52 and name  hb+ )(resid  51 and name hg2+ )  5.00 3.10 0.00 !     w 2   

assign (resid  52 and name   hn )(resid  53 and name   hn )  5.00 3.10 0.00 !     w 2   

assign (resid  53 and name   hn )(resid  53 and name   ha )  2.80 0.90 0.00 !     s 7   
assign (resid  53 and name   hn )(resid  53 and name  hb+ )  2.40 0.50 0.00 !     s 9   
assign (resid  53 and name   hn )(resid  53 and name  hg+ )  3.20 1.30 0.00 !     m 6 (5 3) 
assign (resid  53 and name   hn )(resid  53 and name  hd+ )  5.30 3.40 0.00 !     w 1   
assign (resid  53 and name   ha )(resid  53 and name  hb+ )  2.80 0.90 0.00 !     s 7   
assign (resid  53 and name   ha )(resid  53 and name  hg+ )  3.20 1.30 0.00 !     s 6 (5 4) 
assign (resid  53 and name  hb+ )(resid  53 and name  hg+ )  2.40 0.50 0.00 !     s 9 (7 8) 
assign (resid  53 and name  hb+ )(resid  53 and name  hd+ )  2.80 0.90 0.00 !     s 7   
assign (resid  53 and name  hg+ )(resid  53 and name  hd+ )  2.40 0.50 0.00 !     s 9 (7 7) 
assign (resid  53 and name  hd+ )(resid  53 and name   he )  3.60 1.70 0.00 !     m 5   

assign (resid  53 and name   hn )(resid  52 and name   ha )  2.40 0.50 0.00 !     s 9   
assign (resid  53 and name   hn )(resid  52 and name  hb+ )  3.20 1.30 0.00 !     s 6   

assign (resid  53 and name   hn )(resid  54 and name   hn )  3.60 1.70 0.00 !     m 5   

assign (resid  54 and name   hn )(resid  54 and name   ha )  2.50 0.60 0.00 !     s 8   
assign (resid  54 and name   hn )(resid  54 and name  hb+ )  2.80 0.90 0.00 !     s 7   

assign (resid  54 and name   hn )(resid  53 and name   ha )  4.00 2.10 0.00 !     w 4   
assign (resid  54 and name   hn )(resid  53 and name  hb+ )  2.50 0.60 0.00 !     s 8   
assign (resid  54 and name   hn )(resid  53 and name  hg+ )  4.50 2.60 0.00 !     w 3 (2 1) 

assign (resid  54 and name   hn )(resid  55 and name   hn )  2.80 0.90 0.00 !     s 7   

assign (resid  55 and name   hn )(resid  55 and name   ha )  3.60 1.70 0.00 !     m 5   
assign (resid  55 and name   hn )(resid  55 and name   hb )  2.50 0.60 0.00 !     s 8   
assign (resid  55 and name   hn )(resid  55 and name hg2+ )  4.00 2.10 0.00 !     m 4   
assign (resid  55 and name   ha )(resid  55 and name   hb )  2.80 0.90 0.00 !     s 7   
assign (resid  55 and name   ha )(resid  55 and name hg2+ )  3.20 1.30 0.00 !     s 6   
assign (resid  55 and name   hb )(resid  55 and name hg2+ )  2.80 0.90 0.00 !     s 7   

assign (resid  55 and name   hn )(resid  54 and name  hb+ )  4.50 2.60 0.00 !     w 3   
 
assign (resid  55 and name   hn )(resid  56 and name   hn )  2.80 0.90 0.00 !     s 7   

assign (resid  56 and name   hn )(resid  56 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  56 and name   hn )(resid  56 and name  hb2 )  3.60 1.70 0.00 !     s 5   
assign (resid  56 and name   hn )(resid  56 and name  hb1 )  3.60 1.70 0.00 !     s 5   
assign (resid  56 and name   ha )(resid  56 and name  hb2 )  3.60 1.70 0.00 !     s 5   
assign (resid  56 and name   ha )(resid  56 and name  hb1 )  4.00 2.10 0.00 !     m 4   

assign (resid  56 and name   hn )(resid  55 and name   ha )  4.50 2.60 0.00 !     w 3   
assign (resid  56 and name   hn )(resid  55 and name   hb )  4.50 2.60 0.00 !     m 3   
assign (resid  56 and name   hn )(resid  55 and name hg2+ )  4.00 2.10 0.00 !     m 4   

assign (resid  56 and name   hn )(resid  57 and name   hn )  5.30 3.40 0.00 !     w 1   

assign (resid  57 and name   hn )(resid  57 and name   ha )  3.60 1.70 0.00 !     s 5   
assign (resid  57 and name   hn )(resid  57 and name  hb+ )  2.50 0.60 0.00 !     s 8   
assign (resid  57 and name   ha )(resid  57 and name  hb+ )  2.50 0.60 0.00 !     s 8   

assign (resid  57 and name   hn )(resid  56 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  57 and name   hn )(resid  56 and name  hb2 )  3.60 1.70 0.00 !     m 5   
assign (resid  57 and name   hn )(resid  56 and name  hb1 )  2.80 0.90 0.00 !     s 7   

assign (resid  57 and name   hn )(resid  58 and name   hn )  2.80 0.90 0.00 !     s 7   

assign (resid  58 and name   hn )(resid  58 and name   ha )  4.50 2.60 0.00 !     m 3   
assign (resid  58 and name   hn )(resid  58 and name  hb+ )  2.40 0.50 0.00 !     s 9   
assign (resid  58 and name   ha )(resid  58 and name  hb+ )  3.20 1.30 0.00 !     s 6   

assign (resid  58 and name   hn )(resid  57 and name   ha )  5.00 3.10 0.00 !     w 2   
assign (resid  58 and name   hn )(resid  57 and name  hb+ )  3.20 1.30 0.00 !     m 6   

assign (resid  59 and name   hn )(resid  59 and name   ha )  3.20 1.30 0.00 !     m 6   
assign (resid  59 and name   hn )(resid  59 and name  hb+ )  3.20 1.30 0.00 !     m 6 (4 5) 
assign (resid  59 and name   hn )(resid  59 and name  hg+ )  2.50 0.60 0.00 !     s 8 (4 7) 
assign (resid  59 and name   ha )(resid  59 and name  hb+ )  2.80 0.90 0.00 !     s 7 (5 5) 
assign (resid  59 and name   ha )(resid  59 and name  hg+ )  3.20 1.30 0.00 !     m 6 (4 4) 
assign (resid  59 and name   ha )(resid  59 and name he2+ )  5.00 3.10 0.00 !     w 2 (0 2) 
assign (resid  59 and name  hb+ )(resid  59 and name  hg+ )  2.40 0.50 0.00 !     s 9 (6 9) 
assign (resid  59 and name  hb+ )(resid  59 and name he2+ )  3.60 1.70 0.00 !     m 5 (3 4) 
assign (resid  59 and name  hg+ )(resid  59 and name he2+ )  3.60 1.70 0.00 !     m 5 (3 4) 

assign (resid  59 and name   hn )(resid  58 and name   ha )  5.00 3.10 0.00 !     m 2   
assign (resid  59 and name   hn )(resid  58 and name  hb+ )  3.60 1.70 0.00 !     m 5   

assign (resid  60 and name   ha )(resid  60 and name  hb+ )  4.00 2.10 0.00 !     m 4 (3 2) 

assign (resid  60 and name  hd+ )(resid  59 and name   ha )  3.60 1.70 0.00 !     m 5 (3 4) 
assign (resid  60 and name  hd+ )(resid  59 and name  hb+ )  2.80 0.90 0.00 !     s 7 (6 3) 
assign (resid  60 and name  hd+ )(resid  59 and name  hg+ )  4.00 2.10 0.00 !     m 4 (3 2) 

assign (resid  61 and name   hn )(resid  61 and name   ha )  3.20 1.30 0.00 !     s 6   
assign (resid  61 and name   hn )(resid  61 and name  hb+ )  2.40 0.50 0.00 !     s 9 (10)  
assign (resid  61 and name   ha )(resid  61 and name  hb+ )  2.40 0.50 0.00 !     s 9   

assign (resid  61 and name   hn )(resid  60 and name   ha )  2.80 0.90 0.00 !     s 7   
assign (resid  61 and name   hn )(resid  60 and name  hb+ )  3.20 1.30 0.00 !     m 6 (5 3) 

assign (resid  61 and name   ha )(resid  62 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  61 and name  hb+ )(resid  62 and name   ha )  2.50 0.60 0.00 !     s 8   

assign (resid  61 and name   ha )(resid  63 and name   hn )  2.50 0.60 0.00 !     s 8   
assign (resid  61 and name  hb+ )(resid  63 and name   hn )  5.00 3.10 0.00 !     w 2   

assign (resid  62 and name   ha )(resid  62 and name  hb+ )  2.80 0.90 0.00 !     s 7 (5 5) 

assign (resid  63 and name   hn )(resid  63 and name   ha )  5.00 3.10 0.00 !     w 2   
assign (resid  63 and name   hn )(resid  63 and name  hb+ )  3.20 1.30 0.00 !     s 6 (5 3) 
assign (resid  63 and name   hn )(resid  63 and name  hd+ )  3.60 1.70 0.00 !     m 5   
assign (resid  63 and name   ha )(resid  63 and name  hb+ )  4.50 2.60 0.00 !     m 3   
assign (resid  63 and name  hb+ )(resid  63 and name  hd+ )  2.80 0.90 0.00 !     s 7 (5 5) 

assign (resid  63 and name   hn )(resid  62 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  63 and name   hn )(resid  62 and name  hb+ )  4.50 2.60 0.00 !     w 3   
assign (resid  63 and name   hn )(resid  62 and name  hd+ )  5.30 3.40 0.00 !     w 1   
assign (resid  63 and name   hn )(resid  62 and name  hg+ )  5.30 3.40 0.00 !     w 1   
assign (resid  63 and name  hd+ )(resid  62 and name  hg+ )  4.50 2.60 0.00 !     w 3 (1 2) 
assign (resid  63 and name  he+ )(resid  62 and name  hg+ )  5.00 3.10 0.00 !     w 2   

assign (resid  64 and name   hn )(resid  64 and name  ha+ )  2.50 0.60 0.00 !     s 8 (6 5) 

assign (resid  64 and name   hn )(resid  63 and name   ha )  4.50 2.60 0.00 !     m 3   
assign (resid  64 and name   hn )(resid  63 and name  hb+ )  2.80 0.90 0.00 !     s 7 (3 7) 

assign (resid  65 and name   hn )(resid  65 and name   ha )  3.60 1.70 0.00 !     m 5   
assign (resid  65 and name   hn )(resid  65 and name   hb )  2.40 0.50 0.00 !     s 9   
assign (resid  65 and name   hn )(resid  65 and name hg1+ )  3.60 1.70 0.00 !     m 5 (4 3) 
assign (resid  65 and name   hn )(resid  65 and name hg2+ )  4.00 2.10 0.00 !     m 4   
assign (resid  65 and name   hn )(resid  65 and name hd1+ )  2.80 0.90 0.00 !     m 7   
assign (resid  65 and name   ha )(resid  65 and name   hb )  5.00 3.10 0.00 !     w 2   
assign (resid  65 and name   ha )(resid  65 and name hg1+ )  5.00 3.10 0.00 !     w 2 (2 0) 
assign (resid  65 and name   ha )(resid  65 and name hd1+ )  3.60 1.70 0.00 !     m 5   
assign (resid  65 and name   hb )(resid  65 and name hg1+ )  2.80 0.90 0.00 !     s 7 (6 5) 
assign (resid  65 and name   hb )(resid  65 and name hg2+ )  2.50 0.60 0.00 !     s 8   
assign (resid  65 and name   hb )(resid  65 and name hd1+ )  2.50 0.60 0.00 !     s 8   
assign (resid  65 and name hg2+ )(resid  65 and name hd1+ )  3.60 1.70 0.00 !     m 5   

assign (resid  65 and name   hn )(resid  64 and name  ha+ )  2.50 0.60 0.00 !     s 8 (6 7) 

assign (resid  66 and name   hn )(resid  66 and name   hb )  4.00 2.10 0.00 !     m 4   
assign (resid  66 and name   hn )(resid  66 and name hg2+ )  2.80 0.90 0.00 !     s 7   
assign (resid  66 and name   hn )(resid  66 and name hg1+ )  4.50 2.60 0.00 !     w 3   
assign (resid  66 and name   ha )(resid  66 and name   hb )  5.00 3.10 0.00 !     w 2   
assign (resid  66 and name   ha )(resid  66 and name hg2+ )  4.00 2.10 0.00 !     m 4   
assign (resid  66 and name   ha )(resid  66 and name hg1+ )  4.00 2.10 0.00 !     m 4   
assign (resid  66 and name   hb )(resid  66 and name hg2+ )  2.80 0.90 0.00 !     s 7   
assign (resid  66 and name   hb )(resid  66 and name hg1+ )  2.80 0.90 0.00 !     s 7   

assign (resid  66 and name   hn )(resid  65 and name   ha )  2.40 0.50 0.00 !     s 9   
assign (resid  66 and name   hn )(resid  65 and name   hb )  5.30 3.40 0.00 !     w 1   
assign (resid  66 and name   hn )(resid  65 and name hg2+ )  2.80 0.90 0.00 !     s 7   

assign (resid  67 and name   hn )(resid  67 and name  ha+ )  2.50 0.60 0.00 !     s 8   

assign (resid  67 and name   hn )(resid  66 and name   ha )  3.60 1.70 0.00 !     m 5   
assign (resid  67 and name   hn )(resid  66 and name   hb )  3.20 1.30 0.00 !     s 6   
assign (resid  67 and name   hn )(resid  66 and name hg2+ )  4.50 2.60 0.00 !     m 3   
assign (resid  67 and name   hn )(resid  66 and name hg1+ )  5.00 3.10 0.00 !     w 2   
 
assign (resid  68 and name   hn )(resid  68 and name   ha )  5.30 3.40 0.00 !     w 1   
assign (resid  68 and name   hn )(resid  68 and name  hb+ )  4.00 2.10 0.00 !     m 4   


! Long-range NOEs below...

assign (resid  23 and name  hb2 )(resid  34 and name hd++ )  4.00 2.10 0.00 !     m 4   
assign (resid  23 and name  hb1 )(resid  34 and name hd++ )  3.60 1.70 0.00 !     m 5   

assign (resid  23 and name  hb2 )(resid  65 and name hg2+ )  4.50 2.60 0.00 !     w 3   
assign (resid  23 and name  hb1 )(resid  65 and name hg2+ )  3.60 1.70 0.00 !     m 5   
assign (resid  23 and name  hg+ )(resid  65 and name hg2+ )  4.00 2.10 0.00 !     w 4 (2 2) 
assign (resid  23 and name he2+ )(resid  65 and name hg2+ )  4.00 2.10 0.00 !     w 4 (2 2) 

assign (resid  23 and name   ha )(resid  67 and name  ha+ )  4.50 2.60 0.00 !     m 3   

assign (resid  24 and name  hb+ )(resid  31 and name hd++ )  4.50 2.60 0.00 !     m 3   
assign (resid  24 and name  hg+ )(resid  31 and name hd++ )  4.50 2.60 0.00 !     m 3   
assign (resid  24 and name he2+ )(resid  31 and name hd++ )  4.00 2.10 0.00 !     m 4 (1 3) 

assign (resid  24 and name  hg+ )(resid  33 and name   ha )  5.00 3.10 0.00 !     w 2   

assign (resid  24 and name   ha )(resid  57 and name  hb+ )  4.50 2.60 0.00 !     m 3   

assign (resid  24 and name   hn )(resid  66 and name   hn )  4.00 2.10 0.00 !     m 4   

assign (resid  24 and name   hn )(resid  67 and name  ha+ )  5.30 3.40 0.00 !     w 1   

assign (resid  25 and name   hn )(resid  31 and name hd++ )  4.50 2.60 0.00 !     m 3   
assign (resid  25 and name   ha )(resid  31 and name hd++ )  5.00 3.10 0.00 !     w 2   
assign (resid  25 and name  hb1 )(resid  31 and name   ha )  5.30 3.40 0.00 !     w 1   
assign (resid  25 and name  hb2 )(resid  31 and name   ha )  5.30 3.40 0.00 !     w 1   

assign (resid  25 and name   hn )(resid  32 and name   hn )  4.00 2.10 0.00 !     m 4   

assign (resid  25 and name  hb1 )(resid  32 and name   hn )  4.50 2.60 0.00 !     m 3   
assign (resid  25 and name  hb2 )(resid  32 and name   hn )  5.30 3.40 0.00 !     w 1   

assign (resid  25 and name  hb1 )(resid  51 and name   hb )  4.00 2.10 0.00 !     m 4   
assign (resid  25 and name  hb1 )(resid  51 and name hg2+ )  2.80 0.90 0.00 !     s 7   
assign (resid  25 and name  hb2 )(resid  51 and name hg2+ )  4.50 2.60 0.00 !     m 3   
assign (resid  25 and name  hb1 )(resid  51 and name hd1+ )  3.20 1.30 0.00 !     s 6   
assign (resid  25 and name  hb2 )(resid  51 and name hd1+ )  4.50 2.60 0.00 !     m 3   

assign (resid  25 and name   hn )(resid  57 and name  hb+ )  5.30 3.40 0.00 !     w 1   

assign (resid  25 and name   ha )(resid  65 and name   ha )  3.60 1.70 0.00 !     m 5   

assign (resid  25 and name   ha )(resid  66 and name   hn )  4.00 2.10 0.00 !     m 4   

assign (resid  26 and name hd2+ )(resid  29 and name   hn )  4.00 2.10 0.00 !     m 4 (2 2) 

assign (resid  26 and name   hn )(resid  31 and name hd++ )  5.00 3.10 0.00 !     w 2   
assign (resid  26 and name   ha )(resid  31 and name   ha )  3.60 1.70 0.00 !     m 5   
assign (resid  26 and name   ha )(resid  31 and name hd++ )  2.50 0.60 0.00 !     s 8   
assign (resid  26 and name  hb2 )(resid  31 and name   ha )  5.30 3.40 0.00 !     w 1   
assign (resid  26 and name  hb2 )(resid  31 and name hd++ )  3.20 1.30 0.00 !     s 6   
assign (resid  26 and name  hb1 )(resid  31 and name hd++ )  5.00 3.10 0.00 !     w 2   
assign (resid  26 and name hd2+ )(resid  31 and name hd++ )  4.50 2.60 0.00 !     w 3 (1 1) 

assign (resid  26 and name   hn )(resid  64 and name   hn )  4.50 2.60 0.00 !     m 3   
assign (resid  26 and name  hb2 )(resid  64 and name   hn )  4.50 2.60 0.00 !     m 3   
assign (resid  26 and name  hb1 )(resid  64 and name   hn )  3.60 1.70 0.00 !     s 5   

assign (resid  26 and name   hn )(resid  65 and name   ha )  4.00 2.10 0.00 !     m 4   

assign (resid  26 and name   hn )(resid  66 and name   hn )  4.50 2.60 0.00 !     w 3   
assign (resid  26 and name   hn )(resid  66 and name hg2+ )  3.60 1.70 0.00 !     m 5   
assign (resid  26 and name  hb2 )(resid  66 and name hg2+ )  3.20 1.30 0.00 !     s 6   
assign (resid  26 and name  hb2 )(resid  66 and name hg1+ )  4.00 2.10 0.00 !     m 4   
assign (resid  26 and name  hb1 )(resid  66 and name hg2+ )  4.50 2.60 0.00 !     m 3   
assign (resid  26 and name  hb1 )(resid  66 and name hg1+ )  5.00 3.10 0.00 !     w 2   

assign (resid  27 and name  hd1 )(resid  28 and name  hd+ )  3.20 1.30 0.00 !     m 6   
assign (resid  27 and name  he1 )(resid  28 and name  hd+ )  4.00 2.10 0.00 !     m 4   
assign (resid  27 and name  he1 )(resid  28 and name  he+ )  5.30 3.40 0.00 !     w 1   
assign (resid  27 and name  hz2 )(resid  28 and name  hd+ )  5.00 3.10 0.00 !     w 2   
assign (resid  27 and name  hz2 )(resid  28 and name  he+ )  4.00 2.10 0.00 !     m 4   
assign (resid  27 and name  hz3 )(resid  28 and name  he+ )  5.00 3.10 0.00 !     w 2   
assign (resid  27 and name  hh2 )(resid  28 and name  he+ )  4.00 2.10 0.00 !     m 4   

assign (resid  27 and name   ha )(resid  29 and name   hn )  5.30 3.40 0.00 !     w 1   

assign (resid  27 and name   hn )(resid  30 and name   hn )  4.00 2.10 0.00 !     m 4   

assign (resid  27 and name  hb2 )(resid  32 and name  hd+ )  4.50 2.60 0.00 !     w 3   
assign (resid  27 and name  hb2 )(resid  32 and name  he+ )  4.00 2.10 0.00 !     m 4   
assign (resid  27 and name  hb1 )(resid  32 and name  hd+ )  4.50 2.60 0.00 !     w 3   
assign (resid  27 and name  hb1 )(resid  32 and name  he+ )  3.20 1.30 0.00 !     s 6   

assign (resid  27 and name  hz2 )(resid  42 and name  he1 )  4.50 2.60 0.00 !     w 3   

assign (resid  27 and name  he3 )(resid  51 and name hg2+ )  4.00 2.10 0.00 !     m 4   
assign (resid  27 and name  he3 )(resid  51 and name hd1+ )  3.20 1.30 0.00 !     s 6   
assign (resid  27 and name  hz3 )(resid  51 and name hg2+ )  4.50 2.60 0.00 !     w 3   
assign (resid  27 and name  hz3 )(resid  51 and name hd1+ )  5.00 3.10 0.00 !     w 2   

assign (resid  27 and name  he3 )(resid  55 and name hg2+ )  5.00 3.10 0.00 !     w 2   
assign (resid  27 and name  hz2 )(resid  55 and name hg2+ )  5.00 3.10 0.00 !     w 2   
assign (resid  27 and name  hz3 )(resid  55 and name hg2+ )  2.80 0.90 0.00 !     s 7   
assign (resid  27 and name  hh2 )(resid  55 and name hg2+ )  2.80 0.90 0.00 !     s 7   

assign (resid  27 and name  he3 )(resid  56 and name   ha )  3.60 1.70 0.00 !     m 5   
assign (resid  27 and name  hz3 )(resid  56 and name   ha )  2.80 0.90 0.00 !     s 7   

assign (resid  27 and name   ha )(resid  59 and name he2+ )  3.20 1.30 0.00 !     s 6 (2 6) 
assign (resid  27 and name  he3 )(resid  59 and name  hb+ )  5.30 3.40 0.00 !     w 1   
assign (resid  27 and name  he3 )(resid  59 and name  hg+ )  5.00 3.10 0.00 !     w 2   
assign (resid  27 and name  hz3 )(resid  59 and name  hb+ )  5.00 3.10 0.00 !     w 2   
assign (resid  27 and name  hz3 )(resid  59 and name  hg+ )  4.00 2.10 0.00 !     m 4   
assign (resid  27 and name  hh2 )(resid  59 and name  hg+ )  4.50 2.60 0.00 !     m 3   

assign (resid  27 and name   ha )(resid  64 and name   hn )  4.00 2.10 0.00 !     m 4   
assign (resid  27 and name  he3 )(resid  64 and name   hn )  4.00 2.10 0.00 !     m 4   
assign (resid  27 and name  hz3 )(resid  64 and name   hn )  5.00 3.10 0.00 !     w 2   

assign (resid  28 and name  he+ )(resid  59 and name  hb+ )  4.50 2.60 0.00 !     m 3 (3 1) 
assign (resid  28 and name  he+ )(resid  59 and name  hg+ )  4.50 2.60 0.00 !     w 3 (1 2) 

assign (resid  28 and name  he+ )(resid  60 and name  hd+ )  3.60 1.70 0.00 !     m 5 (4 2) 

assign (resid  28 and name   hn )(resid  63 and name   ha )  4.50 2.60 0.00 !     m 3   
assign (resid  28 and name   hn )(resid  63 and name  hb+ )  4.00 2.10 0.00 !     m 4 (1 4) 
assign (resid  28 and name   hn )(resid  63 and name  hd+ )  4.50 2.60 0.00 !     m 3   
assign (resid  28 and name   hn )(resid  63 and name  he+ )  3.60 1.70 0.00 !     m 5   
assign (resid  28 and name   ha )(resid  63 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  28 and name   ha )(resid  63 and name  hd+ )  5.00 3.10 0.00 !     w 2   
assign (resid  28 and name   ha )(resid  63 and name  he+ )  5.00 3.10 0.00 !     w 2   
assign (resid  28 and name  hb2 )(resid  63 and name  he+ )  4.00 2.10 0.00 !     m 4   
assign (resid  28 and name  hd+ )(resid  63 and name  hd+ )  4.50 2.60 0.00 !     w 3   
assign (resid  28 and name  hd+ )(resid  63 and name  he+ )  3.60 1.70 0.00 !     m 5   
assign (resid  28 and name  hd+ )(resid  63 and name   hz )  4.50 2.60 0.00 !     m 3   
assign (resid  28 and name  he+ )(resid  63 and name  hd+ )  5.00 3.10 0.00 !     w 2   

assign (resid  29 and name   hn )(resid  27 and name   ha )  5.30 3.40 0.00 !     w 1   

assign (resid  29 and name   hn )(resid  63 and name  hd+ )  3.60 1.70 0.00 !     m 5   

assign (resid  30 and name   hn )(resid  32 and name  he+ )  5.00 3.10 0.00 !     w 2   
assign (resid  30 and name   hb )(resid  32 and name  he+ )  3.20 1.30 0.00 !     m 6   

assign (resid  30 and name hg2+ )(resid  32 and name  hd+ )  4.00 2.10 0.00 !     w 4   
assign (resid  30 and name hg2+ )(resid  32 and name  he+ )  3.20 1.30 0.00 !     m 6   

assign (resid  31 and name hd++ )(resid  66 and name   hn )  5.30 3.40 0.00 !     w 1   

assign (resid  32 and name  he+ )(resid  42 and name  hz3 )  4.00 2.10 0.00 !     m 4   

assign (resid  32 and name  he+ )(resid  49 and name  hb1 )  4.50 2.60 0.00 !     w 3   
assign (resid  32 and name  he+ )(resid  49 and name  hb2 )  4.00 2.10 0.00 !     m 4   

assign (resid  32 and name  hb2 )(resid  50 and name   ha )  5.30 3.40 0.00 !     w 1   
assign (resid  32 and name  hb1 )(resid  50 and name   ha )  5.00 3.10 0.00 !     w 2   

assign (resid  32 and name  hb1 )(resid  51 and name hg1+ )  5.30 3.40 0.00 !     w 1   
assign (resid  32 and name  hb2 )(resid  51 and name hg2+ )  5.00 3.10 0.00 !     w 2   
assign (resid  32 and name  hb1 )(resid  51 and name hg2+ )  5.00 3.10 0.00 !     w 2   
assign (resid  32 and name  hb2 )(resid  51 and name hd1+ )  4.00 2.10 0.00 !     m 4   
assign (resid  32 and name  hb1 )(resid  51 and name hd1+ )  5.00 3.10 0.00 !     w 2   
assign (resid  32 and name  hd+ )(resid  51 and name hg1+ )  4.50 2.60 0.00 !     m 3   
assign (resid  32 and name  hd+ )(resid  51 and name hd1+ )  3.60 1.70 0.00 !     m 5   
assign (resid  32 and name  he+ )(resid  51 and name hd1+ )  5.00 3.10 0.00 !     w 2   

assign (resid  33 and name  hb+ )(resid  50 and name   ha )  5.00 3.10 0.00 !     w 2   
assign (resid  33 and name  hb+ )(resid  50 and name  hb1 )  5.00 3.10 0.00 !     w 2   
assign (resid  33 and name  hb+ )(resid  50 and name  hb2 )  5.00 3.10 0.00 !     w 2   
assign (resid  33 and name  hg+ )(resid  50 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  33 and name  hg+ )(resid  50 and name  hb1 )  4.50 2.60 0.00 !     w 3 (1 1) 
assign (resid  33 and name  hd+ )(resid  50 and name   ha )  4.50 2.60 0.00 !     m 3 (1 2) 

assign (resid  34 and name hd++ )(resid  40 and name   hn )  5.30 3.40 0.00 !     w 1   

assign (resid  34 and name   ha )(resid  51 and name   hb )  5.00 3.10 0.00 !     m 2   
assign (resid  34 and name   ha )(resid  51 and name hg2+ )  5.00 3.10 0.00 !     m 2   
assign (resid  34 and name hd++ )(resid  51 and name hg2+ )  3.20 1.30 0.00 !     s 6   

assign (resid  34 and name   hg )(resid  53 and name   ha )  5.00 3.10 0.00 !     w 2   
assign (resid  34 and name hd++ )(resid  53 and name   hn )  4.00 2.10 0.00 !     m 4   
assign (resid  34 and name hd++ )(resid  53 and name   ha )  2.40 0.50 0.00 !     s 9   
assign (resid  34 and name hd++ )(resid  53 and name  hb+ )  5.00 3.10 0.00 !     w 2   
assign (resid  34 and name hd++ )(resid  53 and name  hg+ )  5.00 3.10 0.00 !     w 2   
assign (resid  34 and name hd++ )(resid  53 and name  hd+ )  4.50 2.60 0.00 !     w 3   

assign (resid  34 and name   ha )(resid  56 and name  hb2 )  5.30 3.40 0.00 !     w 1   
assign (resid  34 and name   hg )(resid  56 and name  hb2 )  5.00 3.10 0.00 !     w 2   
assign (resid  34 and name   hg )(resid  56 and name  hb1 )  5.00 3.10 0.00 !     w 2   
assign (resid  34 and name hd++ )(resid  56 and name  hb2 )  2.40 0.50 0.00 !     s 9   
assign (resid  34 and name hd++ )(resid  56 and name  hb1 )  4.00 2.10 0.00 !     m 4   

assign (resid  35 and name  hb+ )(resid  38 and name   hn )  2.80 0.90 0.00 !     s 7 (3 6) 

assign (resid  35 and name   ha )(resid  50 and name  hb1 )  4.00 2.10 0.00 !     m 4   
assign (resid  35 and name   ha )(resid  50 and name  hb2 )  4.00 2.10 0.00 !     m 4   

assign (resid  35 and name  hb+ )(resid  51 and name   ha )  3.60 1.70 0.00 !     m 5   

assign (resid  35 and name   hn )(resid  52 and name  hb+ )  5.30 3.40 0.00 !     w 1   
assign (resid  35 and name  hb+ )(resid  52 and name   ha )  3.60 1.70 0.00 !     m 5 (3 3) 
assign (resid  35 and name  hb+ )(resid  52 and name  hb+ )  3.60 1.70 0.00 !     m 5 (2 4) 

assign (resid  35 and name   hn )(resid  53 and name   hn )  5.00 3.10 0.00 !     w 2   

assign (resid  36 and name   hn )(resid  38 and name   hn )  4.50 2.60 0.00 !     w 3   

assign (resid  36 and name hg2+ )(resid  53 and name   ha )  3.20 1.30 0.00 !     s 6   
assign (resid  36 and name hg2+ )(resid  53 and name  hb+ )  5.00 3.10 0.00 !     w 2   

assign (resid  36 and name hg2+ )(resid  53 and name  hd+ )  5.00 3.10 0.00 !     w 2   

assign (resid  37 and name   ha )(resid  40 and name   hn )  5.30 3.40 0.00 !     w 1   
assign (resid  37 and name   ha )(resid  40 and name  hb+ )  5.30 3.40 0.00 !     w 1   

assign (resid  38 and name hg2+ )(resid  40 and name   hn )  3.20 1.30 0.00 !     s 6   
assign (resid  38 and name hg2+ )(resid  40 and name  hb+ )  5.00 3.10 0.00 !     w 2   

assign (resid  38 and name hg2+ )(resid  43 and name  ha+ )  4.00 2.10 0.00 !     m 4   

assign (resid  39 and name   hn )(resid  52 and name  hb+ )  4.50 2.60 0.00 !     w 3   
assign (resid  39 and name   ha )(resid  52 and name   ha )  5.00 3.10 0.00 !     w 2   
assign (resid  39 and name   ha )(resid  52 and name  hb+ )  4.00 2.10 0.00 !     m 4   

assign (resid  40 and name   hn )(resid  52 and name  hb+ )  4.00 2.10 0.00 !     m 4   
assign (resid  40 and name  hb+ )(resid  52 and name  hb+ )  5.00 3.10 0.00 !     w 2   

assign (resid  41 and name   hn )(resid  52 and name  hb+ )  3.20 1.30 0.00 !     s 6   
assign (resid  41 and name  ha+ )(resid  52 and name  hb+ )  5.30 3.40 0.00 !     w 1   

assign (resid  41 and name   hn )(resid  55 and name   hb )  4.50 2.60 0.00 !     w 3   
assign (resid  41 and name  ha+ )(resid  55 and name hg2+ )  4.00 2.10 0.00 !     m 4   

assign (resid  42 and name  he3 )(resid  43 and name   hn )  4.50 2.60 0.00 !     w 3   

assign (resid  42 and name  hz3 )(resid  49 and name  hb1 )  5.00 3.10 0.00 !     w 2   
assign (resid  42 and name  hz3 )(resid  49 and name  hb2 )  4.50 2.60 0.00 !     m 3   

assign (resid  42 and name   ha )(resid  51 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  42 and name   ha )(resid  51 and name hg2+ )  5.30 3.40 0.00 !     w 1   
assign (resid  42 and name  he3 )(resid  51 and name hg2+ )  5.00 3.10 0.00 !     w 2   
assign (resid  42 and name  hz3 )(resid  51 and name hd1+ )  5.30 3.40 0.00 !     w 1   
assign (resid  42 and name  hz3 )(resid  51 and name hg2+ )  5.30 3.40 0.00 !     w 1   
assign (resid  42 and name  hd1 )(resid  51 and name hg2+ )  4.50 2.60 0.00 !     w 3   

assign (resid  42 and name   ha )(resid  52 and name   hn )  4.50 2.60 0.00 !     w 3   

assign (resid  43 and name   hn )(resid  50 and name   hn )  4.00 2.10 0.00 !     m 4   

assign (resid  43 and name   hn )(resid  52 and name   ha )  5.00 3.10 0.00 !     w 2   

assign (resid  44 and name  he3 )(resid  45 and name   hn )  5.00 3.10 0.00 !     w 2   

assign (resid  44 and name  hd1 )(resid  47 and name   ha )  4.50 2.60 0.00 !     w 3   
assign (resid  44 and name  he1 )(resid  47 and name   hn )  5.00 3.10 0.00 !     w 2   
assign (resid  44 and name  he1 )(resid  47 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  44 and name  he1 )(resid  47 and name  hg+ )  4.50 2.60 0.00 !     m 3   

assign (resid  44 and name   ha )(resid  49 and name   ha )  3.60 1.70 0.00 !     m 5   
assign (resid  44 and name  hd1 )(resid  49 and name   ha )  5.00 3.10 0.00 !     w 2   
assign (resid  44 and name  he3 )(resid  49 and name   hn )  4.50 2.60 0.00 !     w 3   
assign (resid  44 and name  he3 )(resid  49 and name   ha )  2.80 0.90 0.00 !     s 7   
assign (resid  44 and name  he3 )(resid  49 and name  hb1 )  4.50 2.60 0.00 !     m 3   
assign (resid  44 and name  he3 )(resid  49 and name  hb2 )  5.00 3.10 0.00 !     w 2   
assign (resid  44 and name  hz3 )(resid  49 and name   ha )  5.30 3.40 0.00 !     w 1   

assign (resid  44 and name   ha )(resid  50 and name   hn )  5.00 3.10 0.00 !     w 2   

assign (resid  45 and name   hn )(resid  48 and name   hn )  3.60 1.70 0.00 !     m 5   

assign (resid  45 and name   hn )(resid  49 and name   ha )  4.50 2.60 0.00 !     m 3   

assign (resid  46 and name   hn )(resid  48 and name   hn )  5.30 3.40 0.00 !     w 1   

assign (resid  51 and name hg1+ )(resid  55 and name   hb )  4.50 2.60 0.00 !     w 3 (1 1) 

assign (resid  51 and name hg2+ )(resid  55 and name hg2+ )  3.60 1.70 0.00 !     s 5   
assign (resid  51 and name hg2+ )(resid  55 and name   hb )  3.60 1.70 0.00 !     s 5   
assign (resid  51 and name hd1+ )(resid  55 and name   hb )  5.00 3.10 0.00 !     w 2   
assign (resid  51 and name hd1+ )(resid  55 and name hg2+ )  3.60 1.70 0.00 !     m 5   

assign (resid  51 and name   hb )(resid  56 and name  hb2 )  4.00 2.10 0.00 !     m 4   
assign (resid  51 and name hg2+ )(resid  56 and name   hn )  5.00 3.10 0.00 !     w 2   
assign (resid  51 and name hg2+ )(resid  56 and name   ha )  4.00 2.10 0.00 !     m 4   
assign (resid  51 and name hg2+ )(resid  56 and name  hb2 )  4.50 2.60 0.00 !     m 3   
assign (resid  51 and name hg2+ )(resid  56 and name  hb1 )  4.50 2.60 0.00 !     m 3   

assign (resid  52 and name  hb+ )(resid  54 and name   hn )  3.60 1.70 0.00 !     m 5   

assign (resid  52 and name   hn )(resid  55 and name   hb )  5.00 3.10 0.00 !     w 2   
assign (resid  52 and name  hb+ )(resid  55 and name   hn )  3.60 1.70 0.00 !     m 5   
assign (resid  52 and name  hb+ )(resid  55 and name   hb )  3.60 1.70 0.00 !     s 5   
 
assign (resid  53 and name   ha )(resid  56 and name  hb2 )  3.20 1.30 0.00 !     s 6   
assign (resid  53 and name   ha )(resid  56 and name  hb1 )  3.60 1.70 0.00 !     m 5   

assign (resid  54 and name   ha )(resid  57 and name   hn )  5.00 3.10 0.00 !     w 2   
assign (resid  54 and name   ha )(resid  57 and name  hb+ )  3.20 1.30 0.00 !     m 6   

assign (resid  55 and name   hn )(resid  57 and name   hn )  5.00 3.10 0.00 !     w 2   

assign (resid  56 and name  hb2 )(resid  65 and name hg1+ )  5.30 3.40 0.00 !     w 1 (0 1) 
assign (resid  56 and name  hb1 )(resid  65 and name hg1+ )  4.50 2.60 0.00 !     w 3 (2 2) 

assign (resid  57 and name   hn )(resid  59 and name   hn )  5.30 3.40 0.00 !     w 1   

assign (resid  57 and name  hb+ )(resid  65 and name   hn )  5.30 3.40 0.00 !     w 1   
assign (resid  57 and name   ha )(resid  65 and name   hn )  5.00 3.10 0.00 !     w 2   

assign (resid  59 and name   hn )(resid  64 and name   hn )  5.00 3.10 0.00 !     w 2   

assign (resid  60 and name  hd+ )(resid  63 and name  hb+ )  5.30 3.40 0.00 !     w 1   
assign (resid  60 and name  hd+ )(resid  63 and name  hd+ )  4.00 2.10 0.00 !     m 4 (2 2) 

assign (resid  63 and name  hd+ )(resid  64 and name   hn )  5.00 3.10 0.00 !     w 2   
!
!H-bonds added manually below
!
assign (resid   24  and name HN   )(resid   66  and name O    )   2.3 0.5 0.2
assign (resid   24  and name N    )(resid   66  and name O    )   3.3 0.8 0.2

assign (resid   25  and name HN   )(resid   32  and name O    )   2.3 0.5 0.2
assign (resid   25  and name N    )(resid   32  and name O    )   3.3 0.8 0.2

assign (resid   26  and name HN   )(resid   64  and name O    )   2.3 0.5 0.2
assign (resid   26  and name N    )(resid   64  and name O    )   3.3 0.8 0.2

assign (resid   27  and name HN   )(resid   30  and name O    )   2.3 0.5 0.2
assign (resid   27  and name N    )(resid   30  and name O    )   3.3 0.8 0.2

assign (resid   30  and name HN   )(resid   27  and name O    )   2.3 0.5 0.2
assign (resid   30  and name N    )(resid   27  and name O    )   3.3 0.8 0.2

assign (resid   32  and name HN   )(resid   25  and name O    )   2.3 0.5 0.2
assign (resid   32  and name N    )(resid   25  and name O    )   3.3 0.8 0.2

assign (resid   34  and name HN   )(resid   23  and name O    )   2.3 0.5 0.2
assign (resid   34  and name N    )(resid   23  and name O    )   3.3 0.8 0.2

assign (resid   35  and name HN   )(resid   51  and name O    )   2.3 0.5 0.2
assign (resid   35  and name N    )(resid   51  and name O    )   3.3 0.8 0.2

assign (resid   43  and name HN   )(resid   50  and name O    )   2.3 0.5 0.2
assign (resid   43  and name N    )(resid   50  and name O    )   3.3 0.8 0.2

assign (resid   45  and name HN   )(resid   48  and name O    )   2.3 0.5 0.2
assign (resid   45  and name N    )(resid   48  and name O    )   3.3 0.8 0.2

assign (resid   48  and name HN   )(resid   45  and name O    )   2.3 0.5 0.2
assign (resid   48  and name N    )(resid   45  and name O    )   3.3 0.8 0.2

assign (resid   50  and name HN   )(resid   43  and name O    )   2.3 0.5 0.2
assign (resid   50  and name N    )(resid   43  and name O    )   3.3 0.8 0.2

assign (resid   51  and name HN   )(resid   33  and name O    )   2.3 0.5 0.2
assign (resid   51  and name N    )(resid   33  and name O    )   3.3 0.8 0.2

assign (resid   52  and name HN   )(resid   41  and name O    )   2.3 0.5 0.2
assign (resid   52  and name N    )(resid   41  and name O    )   3.3 0.8 0.2

assign (resid   56  and name HN   )(resid   52  and name O    )   2.3 0.5 0.2
assign (resid   56  and name N    )(resid   52  and name O    )   3.3 0.8 0.2

assign (resid   57  and name HN   )(resid   53  and name O    )   2.3 0.5 0.2
assign (resid   57  and name N    )(resid   53  and name O    )   3.3 0.8 0.2

assign (resid   64  and name HN   )(resid   26  and name O    )   2.3 0.5 0.2
assign (resid   64  and name N    )(resid   26  and name O    )   3.3 0.8 0.2

assign (resid   66  and name HN   )(resid   24  and name O    )   2.3 0.5 0.2
assign (resid   66  and name N    )(resid   24  and name O    )   3.3 0.8 0.2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET  20           H1       MET  20  -3.665 -12.737  -7.427
    2    H2   MET  20           H2       MET  20  -4.381 -13.407  -6.043
    3    H3   MET  20           H3       MET  20  -5.328 -12.530  -7.148
    4    HA   MET  20           HA       MET  20  -4.863 -10.607  -6.178
    5   1HB   MET  20          1HB       MET  20  -3.272 -12.231  -4.176
    6   2HB   MET  20          2HB       MET  20  -4.115 -10.708  -3.893
    7   1HG   MET  20          1HG       MET  20  -6.251 -11.960  -4.601
    8   2HG   MET  20          2HG       MET  20  -5.307 -13.436  -4.397
    9   1HE   MET  20          1HE       MET  20  -3.839 -13.809  -2.710
   10   2HE   MET  20          2HE       MET  20  -3.679 -12.978  -1.157
   11   3HE   MET  20          3HE       MET  20  -4.792 -14.333  -1.324
   12    H    GLY  21           H        GLY  21  -3.457  -9.006  -6.728
   13   1HA   GLY  21          1HA       GLY  21  -1.071  -9.337  -8.090
   14   2HA   GLY  21          2HA       GLY  21  -0.580  -9.299  -6.396
   15    H    ASN  22           H        ASN  22  -1.434  -7.368  -5.133
   16    HA   ASN  22           HA       ASN  22  -1.777  -4.981  -6.897
   17   1HB   ASN  22          1HB       ASN  22  -2.991  -5.817  -4.381
   18   2HB   ASN  22          2HB       ASN  22  -2.285  -4.205  -4.259
   19   2HD2  ASN  22          2HD2      ASN  22  -3.909  -2.698  -4.665
   20   1HD2  ASN  22          1HD2      ASN  22  -5.066  -2.821  -5.901
   21    H    GLN  23           H        GLN  23  -0.754  -2.936  -5.901
   22    HA   GLN  23           HA       GLN  23   2.020  -3.633  -5.087
   23   1HB   GLN  23          1HB       GLN  23   0.858  -0.982  -5.966
   24   2HB   GLN  23          2HB       GLN  23   2.558  -1.325  -5.697
   25   1HG   GLN  23          1HG       GLN  23   2.664  -2.819  -7.546
   26   2HG   GLN  23          2HG       GLN  23   0.907  -2.906  -7.671
   27   2HE2  GLN  23          2HE2      GLN  23   2.407   0.213  -7.063
   28   1HE2  GLN  23          1HE2      GLN  23   2.139   0.856  -8.610
   29    H    GLN  24           H        GLN  24   3.030  -2.430  -3.319
   30    HA   GLN  24           HA       GLN  24   1.002  -1.391  -1.440
   31   1HB   GLN  24          1HB       GLN  24   3.037  -3.455  -1.024
   32   2HB   GLN  24          2HB       GLN  24   2.994  -2.225   0.239
   33   1HG   GLN  24          1HG       GLN  24   0.717  -2.663   0.741
   34   2HG   GLN  24          2HG       GLN  24   0.482  -3.578  -0.750
   35   2HE2  GLN  24          2HE2      GLN  24  -0.046  -5.626   0.164
   36   1HE2  GLN  24          1HE2      GLN  24   1.019  -6.507   1.151
   37    H    CYS  25           H        CYS  25   2.021  -0.127   0.392
   38    HA   CYS  25           HA       CYS  25   3.841   1.843  -0.864
   39   1HB   CYS  25          1HB       CYS  25   1.841   2.317   1.353
   40   2HB   CYS  25          2HB       CYS  25   2.597   3.530   0.298
   41    H    ASN  26           H        ASN  26   5.756   0.750   0.143
   42    HA   ASN  26           HA       ASN  26   5.979   0.472   3.001
   43   1HB   ASN  26          1HB       ASN  26   7.657  -0.555   1.469
   44   2HB   ASN  26          2HB       ASN  26   8.133   1.066   0.919
   45   2HD2  ASN  26          2HD2      ASN  26   8.423  -1.259   3.549
   46   1HD2  ASN  26          1HD2      ASN  26   9.526  -0.358   4.472
   47    H    TRP  27           H        TRP  27   5.011   2.349   3.836
   48    HA   TRP  27           HA       TRP  27   5.730   4.956   2.804
   49   1HB   TRP  27          1HB       TRP  27   3.520   4.030   4.045
   50   2HB   TRP  27          2HB       TRP  27   4.378   4.653   5.462
   51    HD1  TRP  27           HD1      TRP  27   3.284   6.859   5.938
   52    HE1  TRP  27           HE1      TRP  27   2.799   9.007   4.585
   53    HE3  TRP  27           HE3      TRP  27   4.581   5.234   1.291
   54    HZ2  TRP  27           HZ2      TRP  27   2.950   9.898   1.861
   55    HZ3  TRP  27           HZ3      TRP  27   4.414   6.726  -0.628
   56    HH2  TRP  27           HH2      TRP  27   3.596   9.056  -0.383
   57    H    TYR  28           H        TYR  28   7.933   5.319   3.212
   58    HA   TYR  28           HA       TYR  28   9.882   5.530   4.535
   59   1HB   TYR  28          1HB       TYR  28   8.057   6.957   6.435
   60   2HB   TYR  28          2HB       TYR  28   9.727   7.357   6.012
   61    HD1  TYR  28           HD1      TYR  28  10.251   8.346   3.813
   62    HD2  TYR  28           HD2      TYR  28   6.202   7.660   5.038
   63    HE1  TYR  28           HE1      TYR  28   9.462   9.847   1.998
   64    HE2  TYR  28           HE2      TYR  28   5.407   9.182   3.243
   65    HH   TYR  28           HH       TYR  28   6.190  10.952   1.864
   66    H    GLY  29           H        GLY  29   8.227   3.099   5.264
   67   1HA   GLY  29          1HA       GLY  29   8.989   2.905   8.140
   68   2HA   GLY  29          2HA       GLY  29   9.515   1.667   7.001
   69    H    THR  30           H        THR  30   6.383   3.340   7.465
   70    HA   THR  30           HA       THR  30   5.093   0.949   8.483
   71    HB   THR  30           HB       THR  30   3.511   3.193   7.297
   72    HG1  THR  30           HG1      THR  30   4.585   4.582   8.418
   73   1HG2  THR  30          1HG2      THR  30   3.227   1.089   9.295
   74   2HG2  THR  30          2HG2      THR  30   2.749   2.666   9.923
   75   3HG2  THR  30          3HG2      THR  30   1.981   2.025   8.471
   76    H    LEU  31           H        LEU  31   2.813   0.498   7.230
   77    HA   LEU  31           HA       LEU  31   3.461   0.071   4.347
   78   1HB   LEU  31          1HB       LEU  31   3.232  -1.890   6.384
   79   2HB   LEU  31          2HB       LEU  31   1.786  -2.024   5.386
   80    HG   LEU  31           HG       LEU  31   3.081  -2.331   3.393
   81   1HD1  LEU  31          1HD1      LEU  31   5.106  -0.990   4.999
   82   2HD1  LEU  31          2HD1      LEU  31   5.756  -2.417   4.188
   83   3HD1  LEU  31          3HD1      LEU  31   4.986  -1.140   3.245
   84   1HD2  LEU  31          1HD2      LEU  31   3.712  -3.943   5.794
   85   2HD2  LEU  31          2HD2      LEU  31   3.121  -4.461   4.215
   86   3HD2  LEU  31          3HD2      LEU  31   4.838  -4.137   4.452
   87    H    TYR  32           H        TYR  32   1.794   0.485   2.966
   88    HA   TYR  32           HA       TYR  32  -0.961   0.750   4.069
   89   1HB   TYR  32          1HB       TYR  32   0.642   2.897   2.672
   90   2HB   TYR  32          2HB       TYR  32  -1.130   2.877   2.574
   91    HD1  TYR  32           HD1      TYR  32  -2.456   2.823   4.768
   92    HD2  TYR  32           HD2      TYR  32   1.731   3.755   4.576
   93    HE1  TYR  32           HE1      TYR  32  -2.590   3.888   7.004
   94    HE2  TYR  32           HE2      TYR  32   1.601   4.815   6.813
   95    HH   TYR  32           HH       TYR  32  -0.535   4.316   8.960
   96    HA   PRO  33           HA       PRO  33  -1.776  -1.312   0.241
   97   1HB   PRO  33          1HB       PRO  33  -4.501  -0.922   0.199
   98   2HB   PRO  33          2HB       PRO  33  -3.705  -2.141   1.210
   99   1HG   PRO  33          1HG       PRO  33  -4.873   0.492   2.010
  100   2HG   PRO  33          2HG       PRO  33  -4.699  -0.993   2.961
  101   1HD   PRO  33          1HD       PRO  33  -3.034   1.266   3.167
  102   2HD   PRO  33          2HD       PRO  33  -2.639  -0.360   3.768
  103    H    LEU  34           H        LEU  34  -1.813  -0.540  -1.926
  104    HA   LEU  34           HA       LEU  34  -1.939   2.339  -2.206
  105   1HB   LEU  34          1HB       LEU  34  -0.355   1.635  -3.618
  106   2HB   LEU  34          2HB       LEU  34  -1.079   0.048  -3.834
  107    HG   LEU  34           HG       LEU  34  -2.801   1.137  -5.273
  108   1HD1  LEU  34          1HD1      LEU  34  -1.092   3.521  -4.675
  109   2HD1  LEU  34          2HD1      LEU  34  -1.857   3.405  -6.261
  110   3HD1  LEU  34          3HD1      LEU  34  -2.842   3.429  -4.821
  111   1HD2  LEU  34          1HD2      LEU  34  -0.847  -0.046  -6.192
  112   2HD2  LEU  34          2HD2      LEU  34  -1.321   1.297  -7.225
  113   3HD2  LEU  34          3HD2      LEU  34   0.072   1.456  -6.155
  114    H    CYS  35           H        CYS  35  -3.399   3.539  -3.011
  115    HA   CYS  35           HA       CYS  35  -6.064   2.461  -3.748
  116   1HB   CYS  35          1HB       CYS  35  -5.132   4.731  -2.305
  117   2HB   CYS  35          2HB       CYS  35  -5.858   5.318  -3.798
  118    H    VAL  36           H        VAL  36  -5.595   1.837  -5.926
  119    HA   VAL  36           HA       VAL  36  -4.142   3.583  -7.711
  120    HB   VAL  36           HB       VAL  36  -5.706   1.046  -8.061
  121   1HG1  VAL  36          1HG1      VAL  36  -4.731   2.917 -10.236
  122   2HG1  VAL  36          2HG1      VAL  36  -4.991   1.195 -10.513
  123   3HG1  VAL  36          3HG1      VAL  36  -6.344   2.226 -10.049
  124   1HG2  VAL  36          1HG2      VAL  36  -2.940   1.943  -7.819
  125   2HG2  VAL  36          2HG2      VAL  36  -3.597   0.306  -7.704
  126   3HG2  VAL  36          3HG2      VAL  36  -3.178   0.978  -9.280
  127    H    THR  37           H        THR  37  -7.605   3.091  -7.050
  128    HA   THR  37           HA       THR  37  -8.449   4.829  -9.236
  129    HB   THR  37           HB       THR  37 -10.578   5.006  -7.770
  130    HG1  THR  37           HG1      THR  37 -10.432   4.191  -5.860
  131   1HG2  THR  37          1HG2      THR  37 -10.294   3.415  -9.666
  132   2HG2  THR  37          2HG2      THR  37  -9.622   2.235  -8.540
  133   3HG2  THR  37          3HG2      THR  37 -11.299   2.756  -8.376
  134    H    THR  38           H        THR  38  -7.488   5.219  -5.889
  135    HA   THR  38           HA       THR  38  -7.856   8.146  -6.213
  136    HB   THR  38           HB       THR  38  -7.149   6.536  -3.744
  137    HG1  THR  38           HG1      THR  38  -9.195   7.028  -3.132
  138   1HG2  THR  38          1HG2      THR  38  -6.751   9.283  -4.502
  139   2HG2  THR  38          2HG2      THR  38  -7.862   9.181  -3.129
  140   3HG2  THR  38          3HG2      THR  38  -6.253   8.461  -3.022
  141    H    THR  39           H        THR  39  -5.922   6.482  -7.597
  142    HA   THR  39           HA       THR  39  -3.266   6.759  -6.611
  143    HB   THR  39           HB       THR  39  -3.692   5.357  -8.562
  144    HG1  THR  39           HG1      THR  39  -2.327   7.601  -9.573
  145   1HG2  THR  39          1HG2      THR  39  -5.475   7.312  -9.280
  146   2HG2  THR  39          2HG2      THR  39  -4.153   7.609 -10.409
  147   3HG2  THR  39          3HG2      THR  39  -4.924   6.025 -10.353
  148    H    ASN  40           H        ASN  40  -5.571   8.934  -7.652
  149    HA   ASN  40           HA       ASN  40  -3.828  11.080  -8.557
  150   1HB   ASN  40          1HB       ASN  40  -6.368  10.403  -9.066
  151   2HB   ASN  40          2HB       ASN  40  -6.649  11.483  -7.698
  152   2HD2  ASN  40          2HD2      ASN  40  -5.944  11.406 -11.080
  153   1HD2  ASN  40          1HD2      ASN  40  -5.678  13.069 -11.287
  154    H    GLY  41           H        GLY  41  -3.147  10.157  -5.946
  155   1HA   GLY  41          1HA       GLY  41  -4.026  12.419  -4.208
  156   2HA   GLY  41          2HA       GLY  41  -2.344  11.882  -4.266
  157    H    TRP  42           H        TRP  42  -3.835  11.897  -1.847
  158    HA   TRP  42           HA       TRP  42  -3.558   9.082  -1.090
  159   1HB   TRP  42          1HB       TRP  42  -4.078  11.657   0.335
  160   2HB   TRP  42          2HB       TRP  42  -4.579  10.167   1.128
  161    HD1  TRP  42           HD1      TRP  42  -1.412  11.759  -0.416
  162    HE1  TRP  42           HE1      TRP  42   0.626  10.826   0.806
  163    HE3  TRP  42           HE3      TRP  42  -3.691   8.327   2.585
  164    HZ2  TRP  42           HZ2      TRP  42   1.233   8.870   2.816
  165    HZ3  TRP  42           HZ3      TRP  42  -2.369   6.942   4.143
  166    HH2  TRP  42           HH2      TRP  42   0.098   7.200   4.264
  167    H    GLY  43           H        GLY  43  -5.239   7.666  -0.593
  168   1HA   GLY  43          1HA       GLY  43  -7.547   7.314  -1.772
  169   2HA   GLY  43          2HA       GLY  43  -8.024   8.707  -0.801
  170    H    TRP  44           H        TRP  44  -9.433   6.424  -0.394
  171    HA   TRP  44           HA       TRP  44  -8.233   5.077   1.977
  172   1HB   TRP  44          1HB       TRP  44  -9.637   7.003   2.750
  173   2HB   TRP  44          2HB       TRP  44 -11.017   6.273   1.954
  174    HD1  TRP  44           HD1      TRP  44 -11.952   4.011   2.959
  175    HE1  TRP  44           HE1      TRP  44 -11.732   2.952   5.288
  176    HE3  TRP  44           HE3      TRP  44  -8.061   6.710   4.774
  177    HZ2  TRP  44           HZ2      TRP  44 -10.163   3.196   7.580
  178    HZ3  TRP  44           HZ3      TRP  44  -7.201   6.279   7.072
  179    HH2  TRP  44           HH2      TRP  44  -8.247   4.520   8.484
  180    H    GLU  45           H        GLU  45  -8.746   2.904   2.026
  181    HA   GLU  45           HA       GLU  45 -11.173   1.830   0.873
  182   1HB   GLU  45          1HB       GLU  45 -10.262   0.686  -1.035
  183   2HB   GLU  45          2HB       GLU  45  -9.778   2.377  -1.179
  184   1HG   GLU  45          1HG       GLU  45  -7.678   1.552  -1.435
  185   2HG   GLU  45          2HG       GLU  45  -7.722   1.320   0.314
  186    H    ASP  46           H        ASP  46 -11.123  -0.621   0.974
  187    HA   ASP  46           HA       ASP  46 -10.600  -2.609   2.122
  188   1HB   ASP  46          1HB       ASP  46  -8.048  -1.234   1.752
  189   2HB   ASP  46          2HB       ASP  46  -8.076  -2.250   3.192
  190    H    GLN  47           H        GLN  47 -11.778  -0.271   3.444
  191    HA   GLN  47           HA       GLN  47 -12.390   0.394   5.606
  192   1HB   GLN  47          1HB       GLN  47 -12.452  -2.225   5.683
  193   2HB   GLN  47          2HB       GLN  47 -11.007  -2.045   6.678
  194   1HG   GLN  47          1HG       GLN  47 -12.167  -0.756   8.315
  195   2HG   GLN  47          2HG       GLN  47 -13.553  -0.517   7.248
  196   2HE2  GLN  47          2HE2      GLN  47 -13.242  -1.925   9.996
  197   1HE2  GLN  47          1HE2      GLN  47 -13.972  -3.438   9.752
  198    H    ARG  48           H        ARG  48  -9.517   0.703   4.434
  199    HA   ARG  48           HA       ARG  48  -8.392   1.864   6.923
  200   1HB   ARG  48          1HB       ARG  48  -7.171  -0.290   5.244
  201   2HB   ARG  48          2HB       ARG  48  -6.102   0.956   5.888
  202   1HG   ARG  48          1HG       ARG  48  -7.284   0.501   8.153
  203   2HG   ARG  48          2HG       ARG  48  -7.832  -0.996   7.397
  204   1HD   ARG  48          1HD       ARG  48  -5.848  -1.821   8.156
  205   2HD   ARG  48          2HD       ARG  48  -5.187  -1.026   6.728
  206    HE   ARG  48           HE       ARG  48  -4.558   0.876   8.182
  207   1HH1  ARG  48          1HH1      ARG  48  -6.497  -1.026  10.103
  208   2HH1  ARG  48          2HH1      ARG  48  -5.404  -1.122  11.442
  209   1HH2  ARG  48          1HH2      ARG  48  -2.759   0.326   9.730
  210   2HH2  ARG  48          2HH2      ARG  48  -3.287  -0.358  11.231
  211    H    SER  49           H        SER  49  -6.036   2.857   5.909
  212    HA   SER  49           HA       SER  49  -7.060   4.773   3.885
  213   1HB   SER  49          1HB       SER  49  -4.651   5.773   4.481
  214   2HB   SER  49          2HB       SER  49  -6.047   6.055   5.515
  215    HG   SER  49           HG       SER  49  -4.889   5.110   6.988
  216    H    CYS  50           H        CYS  50  -6.288   4.802   1.810
  217    HA   CYS  50           HA       CYS  50  -4.063   2.907   1.169
  218   1HB   CYS  50          1HB       CYS  50  -5.139   3.056  -1.203
  219   2HB   CYS  50          2HB       CYS  50  -5.935   2.064   0.018
  220    H    ILE  51           H        ILE  51  -2.432   3.670  -0.274
  221    HA   ILE  51           HA       ILE  51  -2.426   6.634  -0.589
  222    HB   ILE  51           HB       ILE  51  -0.275   4.602  -0.101
  223   1HG1  ILE  51          1HG1      ILE  51  -0.622   7.448   0.844
  224   2HG1  ILE  51          2HG1      ILE  51  -1.345   6.066   1.675
  225   1HG2  ILE  51          1HG2      ILE  51   0.133   7.319  -1.380
  226   2HG2  ILE  51          2HG2      ILE  51   1.414   6.265  -0.773
  227   3HG2  ILE  51          3HG2      ILE  51   0.433   5.759  -2.158
  228   1HD1  ILE  51          1HD1      ILE  51   1.340   5.348   1.215
  229   2HD1  ILE  51          2HD1      ILE  51   1.392   7.018   1.774
  230   3HD1  ILE  51          3HD1      ILE  51   0.615   5.781   2.762
  231    H    ALA  52           H        ALA  52  -2.392   7.464  -2.592
  232    HA   ALA  52           HA       ALA  52  -3.120   6.168  -4.887
  233   1HB   ALA  52          1HB       ALA  52  -3.070   8.376  -5.323
  234   2HB   ALA  52          2HB       ALA  52  -1.465   8.026  -5.973
  235   3HB   ALA  52          3HB       ALA  52  -1.640   8.651  -4.330
  236    H    ARG  53           H        ARG  53  -1.807   5.763  -6.926
  237    HA   ARG  53           HA       ARG  53  -0.053   3.604  -6.557
  238   1HB   ARG  53          1HB       ARG  53  -1.114   5.105  -8.750
  239   2HB   ARG  53          2HB       ARG  53   0.610   4.869  -9.025
  240   1HG   ARG  53          1HG       ARG  53   0.130   2.404  -8.335
  241   2HG   ARG  53          2HG       ARG  53  -1.550   2.813  -8.692
  242   1HD   ARG  53          1HD       ARG  53  -0.942   3.492 -10.956
  243   2HD   ARG  53          2HD       ARG  53   0.763   3.201 -10.612
  244    HE   ARG  53           HE       ARG  53  -0.508   0.773 -10.073
  245   1HH1  ARG  53          1HH1      ARG  53  -2.395   1.456 -12.249
  246   2HH1  ARG  53          2HH1      ARG  53  -1.570   0.893 -13.663
  247   1HH2  ARG  53          1HH2      ARG  53   1.520   0.688 -12.103
  248   2HH2  ARG  53          2HH2      ARG  53   0.646   0.459 -13.581
  249    H    SER  54           H        SER  54   1.218   6.499  -8.208
  250    HA   SER  54           HA       SER  54   3.838   5.819  -7.500
  251   1HB   SER  54          1HB       SER  54   4.056   7.406  -9.127
  252   2HB   SER  54          2HB       SER  54   2.488   8.110  -8.751
  253    HG   SER  54           HG       SER  54   3.435   9.541  -7.527
  254    H    THR  55           H        THR  55   1.628   8.214  -5.954
  255    HA   THR  55           HA       THR  55   3.384   9.090  -3.944
  256    HB   THR  55           HB       THR  55   0.448   8.470  -3.682
  257    HG1  THR  55           HG1      THR  55   1.013  10.095  -5.191
  258   1HG2  THR  55          1HG2      THR  55   2.118   8.730  -1.574
  259   2HG2  THR  55          2HG2      THR  55   1.804  10.437  -1.917
  260   3HG2  THR  55          3HG2      THR  55   0.460   9.352  -1.563
  261    H    CYS  56           H        CYS  56   1.766   6.068  -4.394
  262    HA   CYS  56           HA       CYS  56   2.291   4.988  -1.742
  263   1HB   CYS  56          1HB       CYS  56   0.506   3.990  -3.177
  264   2HB   CYS  56          2HB       CYS  56   1.658   3.612  -4.409
  265    H    ALA  57           H        ALA  57   3.455   3.707  -4.749
  266    HA   ALA  57           HA       ALA  57   5.920   2.939  -3.426
  267   1HB   ALA  57          1HB       ALA  57   4.682   2.327  -6.089
  268   2HB   ALA  57          2HB       ALA  57   4.526   1.355  -4.594
  269   3HB   ALA  57          3HB       ALA  57   6.102   1.503  -5.414
  270    H    ALA  58           H        ALA  58   4.974   4.920  -6.267
  271    HA   ALA  58           HA       ALA  58   7.401   5.325  -7.508
  272   1HB   ALA  58          1HB       ALA  58   6.691   7.639  -8.021
  273   2HB   ALA  58          2HB       ALA  58   5.425   7.507  -6.806
  274   3HB   ALA  58          3HB       ALA  58   5.382   6.483  -8.241
  275    H    GLN  59           H        GLN  59   6.571   6.385  -4.283
  276    HA   GLN  59           HA       GLN  59   8.461   8.419  -3.850
  277   1HB   GLN  59          1HB       GLN  59   7.373   6.241  -2.066
  278   2HB   GLN  59          2HB       GLN  59   8.518   7.436  -1.458
  279   1HG   GLN  59          1HG       GLN  59   6.906   9.175  -2.543
  280   2HG   GLN  59          2HG       GLN  59   5.731   7.862  -2.507
  281   2HE2  GLN  59          2HE2      GLN  59   7.174   6.825   0.035
  282   1HE2  GLN  59          1HE2      GLN  59   6.566   7.820   1.266
  283    HA   PRO  60           HA       PRO  60  12.386   6.513  -4.110
  284   1HB   PRO  60          1HB       PRO  60  13.757   7.826  -2.115
  285   2HB   PRO  60          2HB       PRO  60  13.344   8.552  -3.678
  286   1HG   PRO  60          1HG       PRO  60  12.094   9.007  -1.004
  287   2HG   PRO  60          2HG       PRO  60  12.212  10.104  -2.388
  288   1HD   PRO  60          1HD       PRO  60   9.912   8.666  -1.648
  289   2HD   PRO  60          2HD       PRO  60  10.190   9.422  -3.233
  290    H    ALA  61           H        ALA  61  14.162   5.412  -2.667
  291    HA   ALA  61           HA       ALA  61  12.793   3.438  -0.993
  292   1HB   ALA  61          1HB       ALA  61  15.031   3.368  -2.599
  293   2HB   ALA  61          2HB       ALA  61  14.603   2.134  -1.412
  294   3HB   ALA  61          3HB       ALA  61  15.735   3.417  -0.982
  295    HA   PRO  62           HA       PRO  62  13.693   1.949   0.416
  296   1HB   PRO  62          1HB       PRO  62  12.669   1.231   2.863
  297   2HB   PRO  62          2HB       PRO  62  14.403   1.269   2.498
  298   1HG   PRO  62          1HG       PRO  62  12.784   3.177   4.120
  299   2HG   PRO  62          2HG       PRO  62  14.511   2.800   4.226
  300   1HD   PRO  62          1HD       PRO  62  13.383   5.093   3.002
  301   2HD   PRO  62          2HD       PRO  62  15.064   4.540   2.841
  302    H    PHE  63           H        PHE  63  11.753   4.475   0.490
  303    HA   PHE  63           HA       PHE  63   9.146   3.359   1.123
  304   1HB   PHE  63          1HB       PHE  63   9.387   5.609  -0.832
  305   2HB   PHE  63          2HB       PHE  63   8.323   5.448   0.564
  306    HD1  PHE  63           HD1      PHE  63   9.950   4.951   2.785
  307    HD2  PHE  63           HD2      PHE  63  10.822   7.456  -0.568
  308    HE1  PHE  63           HE1      PHE  63  11.512   6.264   4.181
  309    HE2  PHE  63           HE2      PHE  63  12.412   8.768   0.813
  310    HZ   PHE  63           HZ       PHE  63  12.763   8.169   3.193
  311    H    GLY  64           H        GLY  64   7.432   2.991  -0.682
  312   1HA   GLY  64          1HA       GLY  64   8.932   1.757  -2.992
  313   2HA   GLY  64          2HA       GLY  64   7.685   2.922  -3.351
  314    H    ILE  65           H        ILE  65   7.471   0.496  -4.507
  315    HA   ILE  65           HA       ILE  65   4.908  -0.445  -3.583
  316    HB   ILE  65           HB       ILE  65   6.797  -1.168  -5.785
  317   1HG1  ILE  65          1HG1      ILE  65   4.107  -1.383  -6.585
  318   2HG1  ILE  65          2HG1      ILE  65   4.144   0.003  -5.498
  319   1HG2  ILE  65          1HG2      ILE  65   4.770  -3.076  -4.621
  320   2HG2  ILE  65          2HG2      ILE  65   5.218  -3.142  -6.325
  321   3HG2  ILE  65          3HG2      ILE  65   6.441  -3.395  -5.081
  322   1HD1  ILE  65          1HD1      ILE  65   6.380   0.498  -6.946
  323   2HD1  ILE  65          2HD1      ILE  65   5.458  -0.402  -8.148
  324   3HD1  ILE  65          3HD1      ILE  65   4.787   1.068  -7.444
  325    H    VAL  66           H        VAL  66   4.515  -1.955  -2.033
  326    HA   VAL  66           HA       VAL  66   6.795  -3.712  -1.213
  327    HB   VAL  66           HB       VAL  66   4.377  -3.424   0.516
  328   1HG1  VAL  66          1HG1      VAL  66   7.127  -4.318   0.691
  329   2HG1  VAL  66          2HG1      VAL  66   6.784  -3.116   1.935
  330   3HG1  VAL  66          3HG1      VAL  66   5.800  -4.575   1.824
  331   1HG2  VAL  66          1HG2      VAL  66   6.346  -1.241  -0.102
  332   2HG2  VAL  66          2HG2      VAL  66   4.609  -1.123   0.176
  333   3HG2  VAL  66          3HG2      VAL  66   5.704  -1.388   1.534
  334    H    GLY  67           H        GLY  67   5.885  -5.900  -0.301
  335   1HA   GLY  67          1HA       GLY  67   3.742  -6.825  -2.176
  336   2HA   GLY  67          2HA       GLY  67   3.865  -7.424  -0.519
  337    H    SER  68           H        SER  68   3.965  -9.529  -1.859
  338    HA   SER  68           HA       SER  68   6.832 -10.100  -2.488
  339   1HB   SER  68          1HB       SER  68   5.574 -11.283  -0.517
  340   2HB   SER  68          2HB       SER  68   4.819 -12.227  -1.798
  341    HG   SER  68           HG       SER  68   7.536 -12.029  -1.068
  342    H    GLY  69           H        GLY  69   3.488 -10.975  -3.398
  343   1HA   GLY  69          1HA       GLY  69   4.527 -11.515  -6.151
  344   2HA   GLY  69          2HA       GLY  69   2.932 -10.833  -5.830

  No H/Q in entry =         344
  Start of MODEL    2
    1    H1   MET  20           H1       MET  20  -0.398  -9.575  -7.151
    2    H2   MET  20           H2       MET  20  -1.491 -10.696  -6.500
    3    H3   MET  20           H3       MET  20   0.045 -11.209  -7.012
    4    HA   MET  20           HA       MET  20  -0.587 -11.431  -9.120
    5   1HB   MET  20          1HB       MET  20  -3.306 -10.952  -7.863
    6   2HB   MET  20          2HB       MET  20  -3.037 -11.703  -9.436
    7   1HG   MET  20          1HG       MET  20  -1.443 -13.294  -8.048
    8   2HG   MET  20          2HG       MET  20  -2.457 -12.779  -6.700
    9   1HE   MET  20          1HE       MET  20  -3.249 -14.799  -6.072
   10   2HE   MET  20          2HE       MET  20  -4.799 -13.968  -6.175
   11   3HE   MET  20          3HE       MET  20  -4.641 -15.629  -6.762
   12    H    GLY  21           H        GLY  21  -2.273  -8.636  -7.690
   13   1HA   GLY  21          1HA       GLY  21  -3.128  -7.241  -9.904
   14   2HA   GLY  21          2HA       GLY  21  -1.390  -6.943  -9.899
   15    H    ASN  22           H        ASN  22  -1.369  -7.131  -6.890
   16    HA   ASN  22           HA       ASN  22  -2.499  -4.410  -6.374
   17   1HB   ASN  22          1HB       ASN  22  -2.590  -6.874  -4.622
   18   2HB   ASN  22          2HB       ASN  22  -2.836  -5.250  -3.980
   19   2HD2  ASN  22          2HD2      ASN  22  -5.073  -6.483  -3.558
   20   1HD2  ASN  22          1HD2      ASN  22  -6.244  -6.272  -4.770
   21    H    GLN  23           H        GLN  23  -0.820  -3.056  -5.984
   22    HA   GLN  23           HA       GLN  23   1.675  -4.195  -4.804
   23   1HB   GLN  23          1HB       GLN  23   1.176  -1.584  -6.257
   24   2HB   GLN  23          2HB       GLN  23   2.730  -2.087  -5.610
   25   1HG   GLN  23          1HG       GLN  23   2.118  -4.290  -7.051
   26   2HG   GLN  23          2HG       GLN  23   1.276  -3.069  -8.006
   27   2HE2  GLN  23          2HE2      GLN  23   2.756  -0.967  -8.339
   28   1HE2  GLN  23          1HE2      GLN  23   4.366  -1.290  -8.770
   29    H    GLN  24           H        GLN  24   2.776  -2.845  -3.156
   30    HA   GLN  24           HA       GLN  24   0.791  -1.255  -1.634
   31   1HB   GLN  24          1HB       GLN  24   2.071  -3.624  -0.823
   32   2HB   GLN  24          2HB       GLN  24   2.852  -2.328   0.082
   33   1HG   GLN  24          1HG       GLN  24   0.080  -1.754   0.091
   34   2HG   GLN  24          2HG       GLN  24   0.238  -3.469   0.472
   35   2HE2  GLN  24          2HE2      GLN  24  -0.489  -2.756   2.720
   36   1HE2  GLN  24          1HE2      GLN  24   0.684  -2.153   3.788
   37    H    CYS  25           H        CYS  25   2.088  -0.102   0.232
   38    HA   CYS  25           HA       CYS  25   4.074   1.641  -1.114
   39   1HB   CYS  25          1HB       CYS  25   2.319   2.394   1.204
   40   2HB   CYS  25          2HB       CYS  25   3.017   3.455  -0.037
   41    H    ASN  26           H        ASN  26   6.109   1.281  -0.184
   42    HA   ASN  26           HA       ASN  26   6.314   0.543   2.673
   43   1HB   ASN  26          1HB       ASN  26   8.096  -0.362   1.326
   44   2HB   ASN  26          2HB       ASN  26   8.351   1.191   0.503
   45   2HD2  ASN  26          2HD2      ASN  26   9.476  -0.763   3.063
   46   1HD2  ASN  26          1HD2      ASN  26  10.360   0.421   3.899
   47    H    TRP  27           H        TRP  27   5.097   2.382   3.428
   48    HA   TRP  27           HA       TRP  27   5.771   5.053   2.640
   49   1HB   TRP  27          1HB       TRP  27   3.559   3.991   3.715
   50   2HB   TRP  27          2HB       TRP  27   4.323   4.566   5.207
   51    HD1  TRP  27           HD1      TRP  27   3.192   6.751   5.721
   52    HE1  TRP  27           HE1      TRP  27   2.762   8.948   4.424
   53    HE3  TRP  27           HE3      TRP  27   4.702   5.292   1.098
   54    HZ2  TRP  27           HZ2      TRP  27   3.037   9.931   1.742
   55    HZ3  TRP  27           HZ3      TRP  27   4.613   6.840  -0.789
   56    HH2  TRP  27           HH2      TRP  27   3.788   9.168  -0.496
   57    H    TYR  28           H        TYR  28   7.988   5.420   3.145
   58    HA   TYR  28           HA       TYR  28   9.826   5.731   4.604
   59   1HB   TYR  28          1HB       TYR  28   7.964   7.176   6.417
   60   2HB   TYR  28          2HB       TYR  28   9.519   7.700   5.749
   61    HD1  TYR  28           HD1      TYR  28   9.522   7.867   3.077
   62    HD2  TYR  28           HD2      TYR  28   6.047   8.218   5.561
   63    HE1  TYR  28           HE1      TYR  28   8.361   9.099   1.262
   64    HE2  TYR  28           HE2      TYR  28   4.889   9.468   3.756
   65    HH   TYR  28           HH       TYR  28   5.239  10.616   1.799
   66    H    GLY  29           H        GLY  29   8.221   3.278   5.309
   67   1HA   GLY  29          1HA       GLY  29   8.823   3.244   8.240
   68   2HA   GLY  29          2HA       GLY  29   9.346   1.935   7.186
   69    H    THR  30           H        THR  30   6.195   3.626   7.266
   70    HA   THR  30           HA       THR  30   4.915   1.200   8.357
   71    HB   THR  30           HB       THR  30   3.452   3.697   7.519
   72    HG1  THR  30           HG1      THR  30   4.149   4.731   9.251
   73   1HG2  THR  30          1HG2      THR  30   3.015   1.344   9.278
   74   2HG2  THR  30          2HG2      THR  30   2.384   2.884   9.859
   75   3HG2  THR  30          3HG2      THR  30   1.860   2.248   8.300
   76    H    LEU  31           H        LEU  31   3.541  -0.109   7.147
   77    HA   LEU  31           HA       LEU  31   3.696   0.263   4.222
   78   1HB   LEU  31          1HB       LEU  31   2.506  -2.009   5.833
   79   2HB   LEU  31          2HB       LEU  31   2.890  -2.031   4.110
   80    HG   LEU  31           HG       LEU  31   4.798  -1.923   6.452
   81   1HD1  LEU  31          1HD1      LEU  31   4.090  -3.827   4.272
   82   2HD1  LEU  31          2HD1      LEU  31   5.784  -3.749   4.751
   83   3HD1  LEU  31          3HD1      LEU  31   4.549  -4.153   5.943
   84   1HD2  LEU  31          1HD2      LEU  31   5.103  -0.880   3.690
   85   2HD2  LEU  31          2HD2      LEU  31   5.965  -0.432   5.161
   86   3HD2  LEU  31          3HD2      LEU  31   6.427  -1.887   4.278
   87    H    TYR  32           H        TYR  32   1.859   0.241   2.885
   88    HA   TYR  32           HA       TYR  32  -0.818   0.514   4.117
   89   1HB   TYR  32          1HB       TYR  32   0.661   2.731   2.698
   90   2HB   TYR  32          2HB       TYR  32  -1.111   2.650   2.641
   91    HD1  TYR  32           HD1      TYR  32  -2.423   2.698   4.780
   92    HD2  TYR  32           HD2      TYR  32   1.807   3.437   4.665
   93    HE1  TYR  32           HE1      TYR  32  -2.544   3.740   7.026
   94    HE2  TYR  32           HE2      TYR  32   1.687   4.473   6.916
   95    HH   TYR  32           HH       TYR  32  -1.385   5.115   8.479
   96    HA   PRO  33           HA       PRO  33  -1.802  -1.450   0.281
   97   1HB   PRO  33          1HB       PRO  33  -4.514  -0.985   0.301
   98   2HB   PRO  33          2HB       PRO  33  -3.731  -2.225   1.295
   99   1HG   PRO  33          1HG       PRO  33  -4.814   0.435   2.118
  100   2HG   PRO  33          2HG       PRO  33  -4.649  -1.051   3.068
  101   1HD   PRO  33          1HD       PRO  33  -2.927   1.176   3.213
  102   2HD   PRO  33          2HD       PRO  33  -2.566  -0.450   3.833
  103    H    LEU  34           H        LEU  34  -1.917  -0.674  -1.900
  104    HA   LEU  34           HA       LEU  34  -1.950   2.214  -2.148
  105   1HB   LEU  34          1HB       LEU  34  -0.430   1.472  -3.609
  106   2HB   LEU  34          2HB       LEU  34  -1.207  -0.088  -3.818
  107    HG   LEU  34           HG       LEU  34  -2.931   1.061  -5.202
  108   1HD1  LEU  34          1HD1      LEU  34  -1.127   3.400  -4.641
  109   2HD1  LEU  34          2HD1      LEU  34  -1.982   3.316  -6.184
  110   3HD1  LEU  34          3HD1      LEU  34  -2.884   3.350  -4.695
  111   1HD2  LEU  34          1HD2      LEU  34  -0.609  -0.016  -5.935
  112   2HD2  LEU  34          2HD2      LEU  34  -1.678   0.739  -7.116
  113   3HD2  LEU  34          3HD2      LEU  34  -0.295   1.628  -6.480
  114    H    CYS  35           H        CYS  35  -3.419   3.457  -2.870
  115    HA   CYS  35           HA       CYS  35  -6.123   2.435  -3.542
  116   1HB   CYS  35          1HB       CYS  35  -5.103   4.697  -2.130
  117   2HB   CYS  35          2HB       CYS  35  -5.885   5.287  -3.595
  118    H    VAL  36           H        VAL  36  -5.757   1.805  -5.724
  119    HA   VAL  36           HA       VAL  36  -4.319   3.521  -7.555
  120    HB   VAL  36           HB       VAL  36  -5.907   0.993  -7.863
  121   1HG1  VAL  36          1HG1      VAL  36  -5.121   2.960  -9.983
  122   2HG1  VAL  36          2HG1      VAL  36  -4.955   1.240 -10.334
  123   3HG1  VAL  36          3HG1      VAL  36  -6.531   1.904  -9.907
  124   1HG2  VAL  36          1HG2      VAL  36  -3.146   1.816  -7.549
  125   2HG2  VAL  36          2HG2      VAL  36  -3.820   0.182  -7.561
  126   3HG2  VAL  36          3HG2      VAL  36  -3.346   0.950  -9.077
  127    H    THR  37           H        THR  37  -7.765   3.043  -6.818
  128    HA   THR  37           HA       THR  37  -8.653   4.763  -9.005
  129    HB   THR  37           HB       THR  37 -10.236   4.526  -6.465
  130    HG1  THR  37           HG1      THR  37 -10.215   2.416  -8.317
  131   1HG2  THR  37          1HG2      THR  37 -10.665   5.033  -9.306
  132   2HG2  THR  37          2HG2      THR  37 -11.769   3.812  -8.673
  133   3HG2  THR  37          3HG2      THR  37 -11.704   5.411  -7.932
  134    H    THR  38           H        THR  38  -7.647   5.158  -5.673
  135    HA   THR  38           HA       THR  38  -7.986   8.090  -5.996
  136    HB   THR  38           HB       THR  38  -7.255   6.459  -3.545
  137    HG1  THR  38           HG1      THR  38  -9.312   6.555  -3.182
  138   1HG2  THR  38          1HG2      THR  38  -6.837   9.214  -4.305
  139   2HG2  THR  38          2HG2      THR  38  -7.874   9.104  -2.876
  140   3HG2  THR  38          3HG2      THR  38  -6.271   8.360  -2.869
  141    H    THR  39           H        THR  39  -6.093   6.361  -7.391
  142    HA   THR  39           HA       THR  39  -3.429   6.621  -6.450
  143    HB   THR  39           HB       THR  39  -4.022   5.171  -8.362
  144    HG1  THR  39           HG1      THR  39  -2.416   6.403  -9.870
  145   1HG2  THR  39          1HG2      THR  39  -5.594   7.204  -9.183
  146   2HG2  THR  39          2HG2      THR  39  -4.185   7.494 -10.205
  147   3HG2  THR  39          3HG2      THR  39  -5.020   5.941 -10.272
  148    H    ASN  40           H        ASN  40  -5.697   8.827  -7.473
  149    HA   ASN  40           HA       ASN  40  -3.902  10.906  -8.452
  150   1HB   ASN  40          1HB       ASN  40  -6.468  10.293  -8.928
  151   2HB   ASN  40          2HB       ASN  40  -6.702  11.404  -7.577
  152   2HD2  ASN  40          2HD2      ASN  40  -6.640  11.426 -10.877
  153   1HD2  ASN  40          1HD2      ASN  40  -6.072  13.001 -11.153
  154    H    GLY  41           H        GLY  41  -3.179  10.022  -5.874
  155   1HA   GLY  41          1HA       GLY  41  -3.997  12.297  -4.119
  156   2HA   GLY  41          2HA       GLY  41  -2.328  11.721  -4.201
  157    H    TRP  42           H        TRP  42  -3.782  11.773  -1.756
  158    HA   TRP  42           HA       TRP  42  -3.547   8.956  -0.995
  159   1HB   TRP  42          1HB       TRP  42  -4.001  11.541   0.426
  160   2HB   TRP  42          2HB       TRP  42  -4.533  10.069   1.227
  161    HD1  TRP  42           HD1      TRP  42  -1.339  11.660  -0.239
  162    HE1  TRP  42           HE1      TRP  42   0.674  10.653   0.962
  163    HE3  TRP  42           HE3      TRP  42  -3.681   8.093   2.534
  164    HZ2  TRP  42           HZ2      TRP  42   1.236   8.587   2.871
  165    HZ3  TRP  42           HZ3      TRP  42  -2.393   6.613   4.034
  166    HH2  TRP  42           HH2      TRP  42   0.072   6.847   4.205
  167    H    GLY  43           H        GLY  43  -5.248   7.582  -0.400
  168   1HA   GLY  43          1HA       GLY  43  -7.585   7.281  -1.581
  169   2HA   GLY  43          2HA       GLY  43  -8.017   8.660  -0.570
  170    H    TRP  44           H        TRP  44  -9.421   6.337  -0.223
  171    HA   TRP  44           HA       TRP  44  -8.212   4.939   2.108
  172   1HB   TRP  44          1HB       TRP  44  -9.577   6.873   2.942
  173   2HB   TRP  44          2HB       TRP  44 -10.980   6.169   2.166
  174    HD1  TRP  44           HD1      TRP  44 -11.921   3.908   3.158
  175    HE1  TRP  44           HE1      TRP  44 -11.658   2.807   5.463
  176    HE3  TRP  44           HE3      TRP  44  -7.952   6.525   4.922
  177    HZ2  TRP  44           HZ2      TRP  44 -10.030   2.990   7.719
  178    HZ3  TRP  44           HZ3      TRP  44  -7.042   6.044   7.191
  179    HH2  TRP  44           HH2      TRP  44  -8.076   4.275   8.598
  180    H    GLU  45           H        GLU  45  -8.701   2.770   2.043
  181    HA   GLU  45           HA       GLU  45 -11.190   1.765   0.938
  182   1HB   GLU  45          1HB       GLU  45 -10.338   0.671  -1.026
  183   2HB   GLU  45          2HB       GLU  45  -9.827   2.356  -1.125
  184   1HG   GLU  45          1HG       GLU  45  -7.741   1.527  -1.430
  185   2HG   GLU  45          2HG       GLU  45  -7.769   1.187   0.302
  186    H    ASP  46           H        ASP  46 -11.129  -0.709   0.909
  187    HA   ASP  46           HA       ASP  46 -10.597  -2.740   1.975
  188   1HB   ASP  46          1HB       ASP  46  -8.174  -1.661   1.263
  189   2HB   ASP  46          2HB       ASP  46  -7.995  -1.851   3.006
  190    H    GLN  47           H        GLN  47 -11.773  -0.414   3.377
  191    HA   GLN  47           HA       GLN  47 -12.433   0.134   5.557
  192   1HB   GLN  47          1HB       GLN  47 -12.404  -2.514   5.504
  193   2HB   GLN  47          2HB       GLN  47 -11.044  -2.297   6.606
  194   1HG   GLN  47          1HG       GLN  47 -12.961  -2.427   8.014
  195   2HG   GLN  47          2HG       GLN  47 -12.570  -0.709   7.926
  196   2HE2  GLN  47          2HE2      GLN  47 -14.712   0.131   8.140
  197   1HE2  GLN  47          1HE2      GLN  47 -15.939  -0.167   7.007
  198    H    ARG  48           H        ARG  48  -9.564   0.544   4.428
  199    HA   ARG  48           HA       ARG  48  -8.487   1.653   6.952
  200   1HB   ARG  48          1HB       ARG  48  -7.119  -0.414   5.231
  201   2HB   ARG  48          2HB       ARG  48  -6.180   0.725   6.196
  202   1HG   ARG  48          1HG       ARG  48  -7.945  -0.077   8.071
  203   2HG   ARG  48          2HG       ARG  48  -7.901  -1.534   7.077
  204   1HD   ARG  48          1HD       ARG  48  -5.430  -1.562   7.245
  205   2HD   ARG  48          2HD       ARG  48  -5.492  -0.129   8.271
  206    HE   ARG  48           HE       ARG  48  -6.923  -2.598   9.130
  207   1HH1  ARG  48          1HH1      ARG  48  -5.668   0.299  10.158
  208   2HH1  ARG  48          2HH1      ARG  48  -4.783  -0.339  11.504
  209   1HH2  ARG  48          1HH2      ARG  48  -5.278  -3.649  10.599
  210   2HH2  ARG  48          2HH2      ARG  48  -4.564  -2.575  11.754
  211    H    SER  49           H        SER  49  -6.084   2.615   6.020
  212    HA   SER  49           HA       SER  49  -7.008   4.577   4.008
  213   1HB   SER  49          1HB       SER  49  -4.537   5.430   4.576
  214   2HB   SER  49          2HB       SER  49  -5.897   5.772   5.639
  215    HG   SER  49           HG       SER  49  -4.793   4.724   7.080
  216    H    CYS  50           H        CYS  50  -5.907   4.915   2.022
  217    HA   CYS  50           HA       CYS  50  -3.910   2.825   1.276
  218   1HB   CYS  50          1HB       CYS  50  -5.072   3.011  -1.068
  219   2HB   CYS  50          2HB       CYS  50  -5.803   1.992   0.172
  220    H    ILE  51           H        ILE  51  -2.275   3.574  -0.151
  221    HA   ILE  51           HA       ILE  51  -2.254   6.529  -0.497
  222    HB   ILE  51           HB       ILE  51  -0.105   4.460  -0.152
  223   1HG1  ILE  51          1HG1      ILE  51  -0.388   7.282   0.868
  224   2HG1  ILE  51          2HG1      ILE  51  -1.080   5.890   1.703
  225   1HG2  ILE  51          1HG2      ILE  51   0.429   5.744  -2.246
  226   2HG2  ILE  51          2HG2      ILE  51   0.340   7.232  -1.293
  227   3HG2  ILE  51          3HG2      ILE  51   1.578   6.023  -0.932
  228   1HD1  ILE  51          1HD1      ILE  51   1.587   5.185   1.105
  229   2HD1  ILE  51          2HD1      ILE  51   1.654   6.837   1.718
  230   3HD1  ILE  51          3HD1      ILE  51   0.922   5.561   2.693
  231    H    ALA  52           H        ALA  52  -2.327   7.377  -2.487
  232    HA   ALA  52           HA       ALA  52  -3.190   6.080  -4.736
  233   1HB   ALA  52          1HB       ALA  52  -3.176   8.268  -5.221
  234   2HB   ALA  52          2HB       ALA  52  -1.578   7.951  -5.899
  235   3HB   ALA  52          3HB       ALA  52  -1.736   8.581  -4.256
  236    H    ARG  53           H        ARG  53  -1.993   5.683  -6.850
  237    HA   ARG  53           HA       ARG  53  -0.184   3.559  -6.528
  238   1HB   ARG  53          1HB       ARG  53  -0.618   5.355  -8.931
  239   2HB   ARG  53          2HB       ARG  53   0.236   3.813  -8.978
  240   1HG   ARG  53          1HG       ARG  53  -1.733   2.594  -8.447
  241   2HG   ARG  53          2HG       ARG  53  -2.594   4.052  -7.953
  242   1HD   ARG  53          1HD       ARG  53  -3.459   3.947 -10.060
  243   2HD   ARG  53          2HD       ARG  53  -1.933   4.708 -10.508
  244    HE   ARG  53           HE       ARG  53  -2.519   1.794 -10.767
  245   1HH1  ARG  53          1HH1      ARG  53   0.393   2.593 -10.391
  246   2HH1  ARG  53          2HH1      ARG  53   0.921   2.725 -12.035
  247   1HH2  ARG  53          1HH2      ARG  53  -2.291   2.830 -13.337
  248   2HH2  ARG  53          2HH2      ARG  53  -0.598   2.860 -13.703
  249    H    SER  54           H        SER  54   0.885   6.444  -8.346
  250    HA   SER  54           HA       SER  54   3.561   5.836  -7.868
  251   1HB   SER  54          1HB       SER  54   2.278   8.504  -8.523
  252   2HB   SER  54          2HB       SER  54   4.018   8.240  -8.523
  253    HG   SER  54           HG       SER  54   2.326   7.755 -10.465
  254    H    THR  55           H        THR  55   1.379   7.977  -6.011
  255    HA   THR  55           HA       THR  55   3.376   8.968  -4.232
  256    HB   THR  55           HB       THR  55   0.478   8.341  -3.682
  257    HG1  THR  55           HG1      THR  55   0.410  10.696  -3.878
  258   1HG2  THR  55          1HG2      THR  55   2.343   8.675  -1.758
  259   2HG2  THR  55          2HG2      THR  55   1.963  10.367  -2.104
  260   3HG2  THR  55          3HG2      THR  55   0.684   9.264  -1.598
  261    H    CYS  56           H        CYS  56   1.804   5.937  -4.577
  262    HA   CYS  56           HA       CYS  56   2.612   4.855  -1.967
  263   1HB   CYS  56          1HB       CYS  56   0.530   4.041  -3.064
  264   2HB   CYS  56          2HB       CYS  56   1.411   3.567  -4.474
  265    H    ALA  57           H        ALA  57   3.044   3.473  -5.118
  266    HA   ALA  57           HA       ALA  57   5.421   2.092  -4.342
  267   1HB   ALA  57          1HB       ALA  57   3.682   2.251  -6.801
  268   2HB   ALA  57          2HB       ALA  57   3.599   1.025  -5.496
  269   3HB   ALA  57          3HB       ALA  57   4.991   1.077  -6.607
  270    H    ALA  58           H        ALA  58   4.847   5.066  -5.999
  271    HA   ALA  58           HA       ALA  58   7.385   4.878  -7.500
  272   1HB   ALA  58          1HB       ALA  58   6.780   6.958  -8.515
  273   2HB   ALA  58          2HB       ALA  58   5.575   7.288  -7.273
  274   3HB   ALA  58          3HB       ALA  58   5.309   5.992  -8.439
  275    H    GLN  59           H        GLN  59   7.468   4.887  -4.528
  276    HA   GLN  59           HA       GLN  59   8.586   7.560  -3.903
  277   1HB   GLN  59          1HB       GLN  59   8.777   5.240  -2.016
  278   2HB   GLN  59          2HB       GLN  59   8.557   6.949  -1.660
  279   1HG   GLN  59          1HG       GLN  59   6.256   6.870  -2.401
  280   2HG   GLN  59          2HG       GLN  59   6.454   5.210  -2.967
  281   2HE2  GLN  59          2HE2      GLN  59   7.260   6.965   0.086
  282   1HE2  GLN  59          1HE2      GLN  59   6.595   5.788   1.111
  283    HA   PRO  60           HA       PRO  60  12.776   6.294  -4.436
  284   1HB   PRO  60          1HB       PRO  60  13.972   8.020  -2.663
  285   2HB   PRO  60          2HB       PRO  60  13.319   8.534  -4.229
  286   1HG   PRO  60          1HG       PRO  60  12.218   8.990  -1.503
  287   2HG   PRO  60          2HG       PRO  60  11.959   9.922  -2.985
  288   1HD   PRO  60          1HD       PRO  60  10.158   8.033  -1.841
  289   2HD   PRO  60          2HD       PRO  60  10.023   8.789  -3.444
  290    H    ALA  61           H        ALA  61  14.141   4.738  -3.488
  291    HA   ALA  61           HA       ALA  61  13.347   3.248  -1.245
  292   1HB   ALA  61          1HB       ALA  61  15.710   3.417  -2.936
  293   2HB   ALA  61          2HB       ALA  61  15.009   2.009  -2.138
  294   3HB   ALA  61          3HB       ALA  61  16.139   3.044  -1.266
  295    HA   PRO  62           HA       PRO  62  14.281   2.057   0.315
  296   1HB   PRO  62          1HB       PRO  62  13.336   1.798   2.886
  297   2HB   PRO  62          2HB       PRO  62  15.054   1.725   2.460
  298   1HG   PRO  62          1HG       PRO  62  13.536   3.936   3.770
  299   2HG   PRO  62          2HG       PRO  62  15.254   3.524   3.899
  300   1HD   PRO  62          1HD       PRO  62  14.178   5.611   2.331
  301   2HD   PRO  62          2HD       PRO  62  15.822   4.953   2.195
  302    H    PHE  63           H        PHE  63  12.358   4.766   0.543
  303    HA   PHE  63           HA       PHE  63   9.772   3.674   1.169
  304   1HB   PHE  63          1HB       PHE  63  10.184   5.918  -0.798
  305   2HB   PHE  63          2HB       PHE  63   8.917   5.727   0.414
  306    HD1  PHE  63           HD1      PHE  63  10.184   5.168   2.859
  307    HD2  PHE  63           HD2      PHE  63  11.542   7.751  -0.285
  308    HE1  PHE  63           HE1      PHE  63  11.495   6.468   4.496
  309    HE2  PHE  63           HE2      PHE  63  12.876   9.052   1.355
  310    HZ   PHE  63           HZ       PHE  63  12.856   8.410   3.751
  311    H    GLY  64           H        GLY  64   7.984   3.482  -0.588
  312   1HA   GLY  64          1HA       GLY  64   9.239   1.984  -2.854
  313   2HA   GLY  64          2HA       GLY  64   8.114   3.279  -3.236
  314    H    ILE  65           H        ILE  65   8.365  -0.019  -2.767
  315    HA   ILE  65           HA       ILE  65   5.440  -0.192  -2.233
  316    HB   ILE  65           HB       ILE  65   7.160  -1.672  -4.212
  317   1HG1  ILE  65          1HG1      ILE  65   5.209  -0.679  -5.667
  318   2HG1  ILE  65          2HG1      ILE  65   5.026   0.432  -4.302
  319   1HG2  ILE  65          1HG2      ILE  65   5.337  -3.064  -2.995
  320   2HG2  ILE  65          2HG2      ILE  65   4.192  -2.042  -3.857
  321   3HG2  ILE  65          3HG2      ILE  65   5.316  -3.054  -4.756
  322   1HD1  ILE  65          1HD1      ILE  65   7.809  -0.046  -5.273
  323   2HD1  ILE  65          2HD1      ILE  65   6.767   0.887  -6.342
  324   3HD1  ILE  65          3HD1      ILE  65   7.069   1.444  -4.697
  325    H    VAL  66           H        VAL  66   4.662  -2.028  -1.222
  326    HA   VAL  66           HA       VAL  66   6.673  -3.878  -0.035
  327    HB   VAL  66           HB       VAL  66   4.270  -3.026   1.559
  328   1HG1  VAL  66          1HG1      VAL  66   6.660  -4.620   1.905
  329   2HG1  VAL  66          2HG1      VAL  66   6.603  -3.337   3.113
  330   3HG1  VAL  66          3HG1      VAL  66   5.263  -4.475   2.970
  331   1HG2  VAL  66          1HG2      VAL  66   6.374  -1.246   0.724
  332   2HG2  VAL  66          2HG2      VAL  66   5.022  -0.914   1.802
  333   3HG2  VAL  66          3HG2      VAL  66   6.532  -1.551   2.450
  334    H    GLY  67           H        GLY  67   5.242  -5.788   1.018
  335   1HA   GLY  67          1HA       GLY  67   3.089  -6.419  -0.967
  336   2HA   GLY  67          2HA       GLY  67   3.040  -6.966   0.711
  337    H    SER  68           H        SER  68   3.175  -9.188   0.414
  338    HA   SER  68           HA       SER  68   5.634 -10.169  -0.980
  339   1HB   SER  68          1HB       SER  68   4.815 -10.580   1.668
  340   2HB   SER  68          2HB       SER  68   4.416 -12.083   0.841
  341    HG   SER  68           HG       SER  68   6.723 -11.480   1.717
  342    H    GLY  69           H        GLY  69   3.061  -9.654  -2.263
  343   1HA   GLY  69          1HA       GLY  69   2.116 -12.432  -2.812
  344   2HA   GLY  69          2HA       GLY  69   2.585 -11.379  -4.149

  No H/Q in entry =         344
  Start of MODEL    3
    1    H1   MET  20           H1       MET  20  -1.444  -7.531 -10.672
    2    H2   MET  20           H2       MET  20   0.202  -7.933 -10.543
    3    H3   MET  20           H3       MET  20  -0.691  -8.443 -11.891
    4    HA   MET  20           HA       MET  20  -1.909 -10.001 -10.668
    5   1HB   MET  20          1HB       MET  20   0.980  -9.912  -9.761
    6   2HB   MET  20          2HB       MET  20  -0.088 -11.282  -9.459
    7   1HG   MET  20          1HG       MET  20   0.436 -10.155 -12.221
    8   2HG   MET  20          2HG       MET  20   1.335 -11.509 -11.536
    9   1HE   MET  20          1HE       MET  20   0.730 -13.388 -10.859
   10   2HE   MET  20          2HE       MET  20  -0.872 -14.099 -10.682
   11   3HE   MET  20          3HE       MET  20   0.014 -14.305 -12.191
   12    H    GLY  21           H        GLY  21  -3.391  -8.824  -9.283
   13   1HA   GLY  21          1HA       GLY  21  -2.614  -9.001  -6.426
   14   2HA   GLY  21          2HA       GLY  21  -4.262  -8.855  -7.036
   15    H    ASN  22           H        ASN  22  -2.146  -7.197  -5.266
   16    HA   ASN  22           HA       ASN  22  -2.602  -4.561  -6.562
   17   1HB   ASN  22          1HB       ASN  22  -3.463  -3.621  -4.448
   18   2HB   ASN  22          2HB       ASN  22  -4.508  -4.916  -5.032
   19   2HD2  ASN  22          2HD2      ASN  22  -4.211  -4.053  -2.212
   20   1HD2  ASN  22          1HD2      ASN  22  -3.635  -5.404  -1.359
   21    H    GLN  23           H        GLN  23  -0.929  -3.119  -6.160
   22    HA   GLN  23           HA       GLN  23   1.442  -4.216  -4.810
   23   1HB   GLN  23          1HB       GLN  23   1.039  -1.508  -6.108
   24   2HB   GLN  23          2HB       GLN  23   2.580  -2.226  -5.652
   25   1HG   GLN  23          1HG       GLN  23   2.509  -3.807  -7.360
   26   2HG   GLN  23          2HG       GLN  23   0.752  -3.738  -7.487
   27   2HE2  GLN  23          2HE2      GLN  23   3.719  -1.855  -8.207
   28   1HE2  GLN  23          1HE2      GLN  23   3.019  -0.932  -9.448
   29    H    GLN  24           H        GLN  24   2.570  -2.993  -3.115
   30    HA   GLN  24           HA       GLN  24   0.662  -1.350  -1.550
   31   1HB   GLN  24          1HB       GLN  24   1.812  -3.788  -0.800
   32   2HB   GLN  24          2HB       GLN  24   2.704  -2.567   0.108
   33   1HG   GLN  24          1HG       GLN  24   0.867  -1.933   1.326
   34   2HG   GLN  24          2HG       GLN  24  -0.249  -2.241  -0.005
   35   2HE2  GLN  24          2HE2      GLN  24   1.299  -3.672   2.802
   36   1HE2  GLN  24          1HE2      GLN  24   0.507  -5.171   2.713
   37    H    CYS  25           H        CYS  25   1.969  -0.252   0.324
   38    HA   CYS  25           HA       CYS  25   4.043   1.418  -0.982
   39   1HB   CYS  25          1HB       CYS  25   2.309   2.215   1.337
   40   2HB   CYS  25          2HB       CYS  25   3.051   3.264   0.111
   41    H    ASN  26           H        ASN  26   6.059   1.093  -0.048
   42    HA   ASN  26           HA       ASN  26   6.247   0.246   2.787
   43   1HB   ASN  26          1HB       ASN  26   7.985  -0.760   1.529
   44   2HB   ASN  26          2HB       ASN  26   8.242   0.699   0.552
   45   2HD2  ASN  26          2HD2      ASN  26   7.896   0.842   4.080
   46   1HD2  ASN  26          1HD2      ASN  26   9.506   1.274   4.398
   47    H    TRP  27           H        TRP  27   5.063   2.133   3.441
   48    HA   TRP  27           HA       TRP  27   5.794   4.792   2.775
   49   1HB   TRP  27          1HB       TRP  27   3.632   3.669   3.898
   50   2HB   TRP  27          2HB       TRP  27   4.431   4.248   5.367
   51    HD1  TRP  27           HD1      TRP  27   3.245   6.373   5.956
   52    HE1  TRP  27           HE1      TRP  27   2.673   8.569   4.716
   53    HE3  TRP  27           HE3      TRP  27   4.654   5.067   1.239
   54    HZ2  TRP  27           HZ2      TRP  27   2.807   9.616   2.049
   55    HZ3  TRP  27           HZ3      TRP  27   4.425   6.657  -0.606
   56    HH2  TRP  27           HH2      TRP  27   3.507   8.932  -0.230
   57    H    TYR  28           H        TYR  28   7.860   5.497   3.259
   58    HA   TYR  28           HA       TYR  28   9.813   5.772   4.610
   59   1HB   TYR  28          1HB       TYR  28   7.975   7.085   6.528
   60   2HB   TYR  28          2HB       TYR  28   9.459   7.706   5.786
   61    HD1  TYR  28           HD1      TYR  28   9.282   7.873   3.099
   62    HD2  TYR  28           HD2      TYR  28   5.973   8.066   5.810
   63    HE1  TYR  28           HE1      TYR  28   7.963   9.063   1.372
   64    HE2  TYR  28           HE2      TYR  28   4.646   9.270   4.090
   65    HH   TYR  28           HH       TYR  28   6.080  10.454   1.153
   66    H    GLY  29           H        GLY  29   8.742   3.207   5.284
   67   1HA   GLY  29          1HA       GLY  29   9.610   3.125   8.129
   68   2HA   GLY  29          2HA       GLY  29   9.655   1.756   7.017
   69    H    THR  30           H        THR  30   6.962   2.246   5.991
   70    HA   THR  30           HA       THR  30   5.474   0.945   8.173
   71    HB   THR  30           HB       THR  30   4.060   3.233   6.874
   72    HG1  THR  30           HG1      THR  30   4.887   4.583   8.563
   73   1HG2  THR  30          1HG2      THR  30   3.958   1.659   9.415
   74   2HG2  THR  30          2HG2      THR  30   3.315   3.300   9.417
   75   3HG2  THR  30          3HG2      THR  30   2.650   2.094   8.315
   76    H    LEU  31           H        LEU  31   3.124   0.457   7.194
   77    HA   LEU  31           HA       LEU  31   3.484  -0.124   4.287
   78   1HB   LEU  31          1HB       LEU  31   3.095  -1.963   6.530
   79   2HB   LEU  31          2HB       LEU  31   1.920  -2.198   5.236
   80    HG   LEU  31           HG       LEU  31   3.589  -2.644   3.632
   81   1HD1  LEU  31          1HD1      LEU  31   5.412  -1.245   5.582
   82   2HD1  LEU  31          2HD1      LEU  31   6.076  -2.307   4.340
   83   3HD1  LEU  31          3HD1      LEU  31   5.136  -0.888   3.877
   84   1HD2  LEU  31          1HD2      LEU  31   4.085  -3.840   6.321
   85   2HD2  LEU  31          2HD2      LEU  31   3.610  -4.624   4.814
   86   3HD2  LEU  31          3HD2      LEU  31   5.287  -4.142   5.067
   87    H    TYR  32           H        TYR  32   1.735   0.101   3.026
   88    HA   TYR  32           HA       TYR  32  -0.941   0.527   4.223
   89   1HB   TYR  32          1HB       TYR  32   0.593   2.636   2.673
   90   2HB   TYR  32          2HB       TYR  32  -1.173   2.669   2.841
   91    HD1  TYR  32           HD1      TYR  32   1.982   2.486   4.855
   92    HD2  TYR  32           HD2      TYR  32  -2.155   3.628   4.745
   93    HE1  TYR  32           HE1      TYR  32   2.217   3.550   7.082
   94    HE2  TYR  32           HE2      TYR  32  -1.922   4.690   6.973
   95    HH   TYR  32           HH       TYR  32  -0.317   5.520   8.453
   96    HA   PRO  33           HA       PRO  33  -1.967  -1.461   0.412
   97   1HB   PRO  33          1HB       PRO  33  -4.667  -0.937   0.444
   98   2HB   PRO  33          2HB       PRO  33  -3.906  -2.186   1.444
   99   1HG   PRO  33          1HG       PRO  33  -4.929   0.501   2.254
  100   2HG   PRO  33          2HG       PRO  33  -4.785  -0.981   3.215
  101   1HD   PRO  33          1HD       PRO  33  -3.019   1.216   3.325
  102   2HD   PRO  33          2HD       PRO  33  -2.687  -0.410   3.963
  103    H    LEU  34           H        LEU  34  -2.038  -0.696  -1.755
  104    HA   LEU  34           HA       LEU  34  -2.047   2.190  -2.049
  105   1HB   LEU  34          1HB       LEU  34  -0.514   1.418  -3.474
  106   2HB   LEU  34          2HB       LEU  34  -1.287  -0.150  -3.645
  107    HG   LEU  34           HG       LEU  34  -2.994   0.957  -5.094
  108   1HD1  LEU  34          1HD1      LEU  34  -1.177   3.301  -4.602
  109   2HD1  LEU  34          2HD1      LEU  34  -2.018   3.168  -6.148
  110   3HD1  LEU  34          3HD1      LEU  34  -2.932   3.266  -4.665
  111   1HD2  LEU  34          1HD2      LEU  34  -0.944  -0.293  -5.887
  112   2HD2  LEU  34          2HD2      LEU  34  -1.594   0.863  -7.045
  113   3HD2  LEU  34          3HD2      LEU  34  -0.163   1.272  -6.101
  114    H    CYS  35           H        CYS  35  -3.469   3.438  -2.852
  115    HA   CYS  35           HA       CYS  35  -6.181   2.452  -3.548
  116   1HB   CYS  35          1HB       CYS  35  -5.151   4.718  -2.163
  117   2HB   CYS  35          2HB       CYS  35  -5.861   5.299  -3.667
  118    H    VAL  36           H        VAL  36  -5.832   1.779  -5.716
  119    HA   VAL  36           HA       VAL  36  -4.293   3.412  -7.553
  120    HB   VAL  36           HB       VAL  36  -5.947   0.922  -7.837
  121   1HG1  VAL  36          1HG1      VAL  36  -5.317   2.899  -9.931
  122   2HG1  VAL  36          2HG1      VAL  36  -4.757   1.268 -10.301
  123   3HG1  VAL  36          3HG1      VAL  36  -6.463   1.558  -9.962
  124   1HG2  VAL  36          1HG2      VAL  36  -3.171   1.692  -7.507
  125   2HG2  VAL  36          2HG2      VAL  36  -3.885   0.074  -7.472
  126   3HG2  VAL  36          3HG2      VAL  36  -3.373   0.776  -9.006
  127    H    THR  37           H        THR  37  -7.771   3.044  -6.881
  128    HA   THR  37           HA       THR  37  -8.548   4.752  -9.121
  129    HB   THR  37           HB       THR  37 -10.663   5.048  -7.600
  130    HG1  THR  37           HG1      THR  37  -9.344   4.229  -5.766
  131   1HG2  THR  37          1HG2      THR  37  -9.769   2.365  -8.681
  132   2HG2  THR  37          2HG2      THR  37 -11.423   2.721  -8.183
  133   3HG2  THR  37          3HG2      THR  37 -10.701   3.598  -9.532
  134    H    THR  38           H        THR  38  -7.571   5.173  -5.792
  135    HA   THR  38           HA       THR  38  -7.858   8.105  -6.151
  136    HB   THR  38           HB       THR  38  -7.199   6.491  -3.671
  137    HG1  THR  38           HG1      THR  38  -9.271   6.559  -3.440
  138   1HG2  THR  38          1HG2      THR  38  -6.712   9.227  -4.449
  139   2HG2  THR  38          2HG2      THR  38  -7.783   9.154  -3.043
  140   3HG2  THR  38          3HG2      THR  38  -6.196   8.380  -2.991
  141    H    THR  39           H        THR  39  -5.970   6.348  -7.512
  142    HA   THR  39           HA       THR  39  -3.311   6.579  -6.524
  143    HB   THR  39           HB       THR  39  -3.761   5.136  -8.440
  144    HG1  THR  39           HG1      THR  39  -1.801   6.693  -8.279
  145   1HG2  THR  39          1HG2      THR  39  -5.496   7.112  -9.217
  146   2HG2  THR  39          2HG2      THR  39  -4.164   7.346 -10.349
  147   3HG2  THR  39          3HG2      THR  39  -4.973   5.783 -10.251
  148    H    ASN  40           H        ASN  40  -5.544   8.799  -7.599
  149    HA   ASN  40           HA       ASN  40  -3.731  10.863  -8.563
  150   1HB   ASN  40          1HB       ASN  40  -6.298  10.265  -9.048
  151   2HB   ASN  40          2HB       ASN  40  -6.532  11.384  -7.702
  152   2HD2  ASN  40          2HD2      ASN  40  -4.755  11.190 -10.837
  153   1HD2  ASN  40          1HD2      ASN  40  -4.890  12.845 -11.186
  154    H    GLY  41           H        GLY  41  -3.047   9.978  -5.958
  155   1HA   GLY  41          1HA       GLY  41  -3.841  12.288  -4.243
  156   2HA   GLY  41          2HA       GLY  41  -2.183  11.680  -4.299
  157    H    TRP  42           H        TRP  42  -3.682  11.786  -1.881
  158    HA   TRP  42           HA       TRP  42  -3.509   8.976  -1.083
  159   1HB   TRP  42          1HB       TRP  42  -3.922  11.587   0.292
  160   2HB   TRP  42          2HB       TRP  42  -4.520  10.147   1.103
  161    HD1  TRP  42           HD1      TRP  42  -1.234  11.607  -0.307
  162    HE1  TRP  42           HE1      TRP  42   0.710  10.556   0.969
  163    HE3  TRP  42           HE3      TRP  42  -3.772   8.169   2.447
  164    HZ2  TRP  42           HZ2      TRP  42   1.145   8.500   2.931
  165    HZ3  TRP  42           HZ3      TRP  42  -2.584   6.673   4.006
  166    HH2  TRP  42           HH2      TRP  42  -0.122   6.823   4.254
  167    H    GLY  43           H        GLY  43  -5.239   7.642  -0.496
  168   1HA   GLY  43          1HA       GLY  43  -7.559   7.338  -1.700
  169   2HA   GLY  43          2HA       GLY  43  -7.989   8.757  -0.742
  170    H    TRP  44           H        TRP  44  -9.438   6.465  -0.334
  171    HA   TRP  44           HA       TRP  44  -8.275   5.152   2.071
  172   1HB   TRP  44          1HB       TRP  44  -9.672   7.119   2.784
  173   2HB   TRP  44          2HB       TRP  44 -11.052   6.354   2.025
  174    HD1  TRP  44           HD1      TRP  44 -11.972   4.128   3.120
  175    HE1  TRP  44           HE1      TRP  44 -11.720   3.150   5.481
  176    HE3  TRP  44           HE3      TRP  44  -8.065   6.895   4.795
  177    HZ2  TRP  44           HZ2      TRP  44 -10.123   3.473   7.743
  178    HZ3  TRP  44           HZ3      TRP  44  -7.176   6.544   7.095
  179    HH2  TRP  44           HH2      TRP  44  -8.200   4.832   8.578
  180    H    GLU  45           H        GLU  45  -8.508   2.987   1.766
  181    HA   GLU  45           HA       GLU  45 -11.058   1.898   0.797
  182   1HB   GLU  45          1HB       GLU  45  -9.468   2.506  -1.215
  183   2HB   GLU  45          2HB       GLU  45  -8.620   1.037  -0.729
  184   1HG   GLU  45          1HG       GLU  45 -10.513  -0.326  -1.120
  185   2HG   GLU  45          2HG       GLU  45 -11.610   1.056  -1.136
  186    H    ASP  46           H        ASP  46 -10.867  -0.606   0.755
  187    HA   ASP  46           HA       ASP  46 -10.287  -2.592   1.880
  188   1HB   ASP  46          1HB       ASP  46  -7.807  -1.057   1.684
  189   2HB   ASP  46          2HB       ASP  46  -7.847  -2.118   3.090
  190    H    GLN  47           H        GLN  47 -11.648  -0.335   3.200
  191    HA   GLN  47           HA       GLN  47 -12.404   0.231   5.343
  192   1HB   GLN  47          1HB       GLN  47 -12.390  -2.369   5.359
  193   2HB   GLN  47          2HB       GLN  47 -10.954  -2.199   6.368
  194   1HG   GLN  47          1HG       GLN  47 -13.048  -0.402   7.260
  195   2HG   GLN  47          2HG       GLN  47 -13.630  -2.067   7.222
  196   2HE2  GLN  47          2HE2      GLN  47 -12.342   0.025   9.361
  197   1HE2  GLN  47          1HE2      GLN  47 -11.402  -1.027  10.305
  198    H    ARG  48           H        ARG  48  -9.548   0.804   4.330
  199    HA   ARG  48           HA       ARG  48  -8.615   1.980   6.869
  200   1HB   ARG  48          1HB       ARG  48  -7.141  -0.146   5.335
  201   2HB   ARG  48          2HB       ARG  48  -6.235   1.095   6.201
  202   1HG   ARG  48          1HG       ARG  48  -7.281   0.496   8.295
  203   2HG   ARG  48          2HG       ARG  48  -8.391  -0.604   7.479
  204   1HD   ARG  48          1HD       ARG  48  -6.741  -2.197   7.084
  205   2HD   ARG  48          2HD       ARG  48  -5.438  -1.009   7.146
  206    HE   ARG  48           HE       ARG  48  -6.561  -1.071   9.724
  207   1HH1  ARG  48          1HH1      ARG  48  -3.755  -1.942   8.529
  208   2HH1  ARG  48          2HH1      ARG  48  -3.599  -3.483   9.302
  209   1HH2  ARG  48          1HH2      ARG  48  -6.919  -3.617  10.295
  210   2HH2  ARG  48          2HH2      ARG  48  -5.391  -4.431  10.302
  211    H    SER  49           H        SER  49  -6.210   2.999   6.060
  212    HA   SER  49           HA       SER  49  -7.061   4.884   3.957
  213   1HB   SER  49          1HB       SER  49  -4.602   5.747   4.565
  214   2HB   SER  49          2HB       SER  49  -5.983   6.109   5.593
  215    HG   SER  49           HG       SER  49  -4.023   5.154   6.601
  216    H    CYS  50           H        CYS  50  -6.210   4.923   1.897
  217    HA   CYS  50           HA       CYS  50  -4.101   2.890   1.285
  218   1HB   CYS  50          1HB       CYS  50  -5.193   3.071  -1.096
  219   2HB   CYS  50          2HB       CYS  50  -5.974   2.081   0.135
  220    H    ILE  51           H        ILE  51  -2.432   3.562  -0.149
  221    HA   ILE  51           HA       ILE  51  -2.303   6.512  -0.519
  222    HB   ILE  51           HB       ILE  51  -0.240   4.382  -0.057
  223   1HG1  ILE  51          1HG1      ILE  51  -0.472   7.244   0.862
  224   2HG1  ILE  51          2HG1      ILE  51  -1.197   5.888   1.732
  225   1HG2  ILE  51          1HG2      ILE  51   0.394   5.606  -2.177
  226   2HG2  ILE  51          2HG2      ILE  51   0.377   7.104  -1.232
  227   3HG2  ILE  51          3HG2      ILE  51   1.529   5.821  -0.837
  228   1HD1  ILE  51          1HD1      ILE  51   1.429   5.067   1.247
  229   2HD1  ILE  51          2HD1      ILE  51   1.585   6.770   1.676
  230   3HD1  ILE  51          3HD1      ILE  51   0.794   5.650   2.785
  231    H    ALA  52           H        ALA  52  -2.348   7.316  -2.522
  232    HA   ALA  52           HA       ALA  52  -3.167   6.025  -4.782
  233   1HB   ALA  52          1HB       ALA  52  -3.062   8.211  -5.285
  234   2HB   ALA  52          2HB       ALA  52  -1.457   7.834  -5.909
  235   3HB   ALA  52          3HB       ALA  52  -1.642   8.482  -4.277
  236    H    ARG  53           H        ARG  53  -1.961   5.485  -6.831
  237    HA   ARG  53           HA       ARG  53  -0.189   3.348  -6.434
  238   1HB   ARG  53          1HB       ARG  53  -1.413   4.684  -8.637
  239   2HB   ARG  53          2HB       ARG  53   0.297   4.498  -9.014
  240   1HG   ARG  53          1HG       ARG  53  -0.072   2.056  -8.133
  241   2HG   ARG  53          2HG       ARG  53  -1.768   2.401  -8.474
  242   1HD   ARG  53          1HD       ARG  53  -0.721   1.368 -10.435
  243   2HD   ARG  53          2HD       ARG  53  -1.151   3.041 -10.792
  244    HE   ARG  53           HE       ARG  53   1.310   3.559 -10.281
  245   1HH1  ARG  53          1HH1      ARG  53   2.267   0.913  -9.484
  246   2HH1  ARG  53          2HH1      ARG  53   2.864   0.237 -10.962
  247   1HH2  ARG  53          1HH2      ARG  53   1.182   2.498 -12.985
  248   2HH2  ARG  53          2HH2      ARG  53   2.249   1.134 -12.944
  249    H    SER  54           H        SER  54   0.952   6.186  -8.296
  250    HA   SER  54           HA       SER  54   3.608   5.539  -7.790
  251   1HB   SER  54          1HB       SER  54   2.236   8.072  -8.637
  252   2HB   SER  54          2HB       SER  54   3.950   8.126  -8.236
  253    HG   SER  54           HG       SER  54   2.932   6.131  -9.943
  254    H    THR  55           H        THR  55   1.531   7.897  -6.055
  255    HA   THR  55           HA       THR  55   3.439   8.786  -4.185
  256    HB   THR  55           HB       THR  55   0.523   8.177  -3.718
  257    HG1  THR  55           HG1      THR  55   1.256   9.803  -5.323
  258   1HG2  THR  55          1HG2      THR  55   2.283   8.471  -1.724
  259   2HG2  THR  55          2HG2      THR  55   2.030  10.178  -2.108
  260   3HG2  THR  55          3HG2      THR  55   0.661   9.168  -1.646
  261    H    CYS  56           H        CYS  56   1.811   5.771  -4.521
  262    HA   CYS  56           HA       CYS  56   2.589   4.712  -1.890
  263   1HB   CYS  56          1HB       CYS  56   0.502   3.905  -2.984
  264   2HB   CYS  56          2HB       CYS  56   1.384   3.397  -4.381
  265    H    ALA  57           H        ALA  57   3.023   3.250  -5.003
  266    HA   ALA  57           HA       ALA  57   5.452   1.960  -4.223
  267   1HB   ALA  57          1HB       ALA  57   3.723   1.997  -6.699
  268   2HB   ALA  57          2HB       ALA  57   3.615   0.833  -5.343
  269   3HB   ALA  57          3HB       ALA  57   5.034   0.842  -6.419
  270    H    ALA  58           H        ALA  58   4.611   4.641  -6.407
  271    HA   ALA  58           HA       ALA  58   7.132   4.605  -7.815
  272   1HB   ALA  58          1HB       ALA  58   6.535   6.899  -8.526
  273   2HB   ALA  58          2HB       ALA  58   5.208   6.905  -7.368
  274   3HB   ALA  58          3HB       ALA  58   5.183   5.787  -8.731
  275    H    GLN  59           H        GLN  59   6.436   5.326  -4.610
  276    HA   GLN  59           HA       GLN  59   7.980   7.585  -3.991
  277   1HB   GLN  59          1HB       GLN  59   7.392   5.036  -2.511
  278   2HB   GLN  59          2HB       GLN  59   8.444   6.262  -1.804
  279   1HG   GLN  59          1HG       GLN  59   6.290   7.723  -2.777
  280   2HG   GLN  59          2HG       GLN  59   5.550   6.268  -2.106
  281   2HE2  GLN  59          2HE2      GLN  59   6.685   5.631   0.145
  282   1HE2  GLN  59          1HE2      GLN  59   6.883   6.922   1.226
  283    HA   PRO  60           HA       PRO  60  12.161   6.365  -4.641
  284   1HB   PRO  60          1HB       PRO  60  13.375   8.027  -2.822
  285   2HB   PRO  60          2HB       PRO  60  12.685   8.595  -4.352
  286   1HG   PRO  60          1HG       PRO  60  11.640   8.938  -1.589
  287   2HG   PRO  60          2HG       PRO  60  11.331   9.915  -3.032
  288   1HD   PRO  60          1HD       PRO  60   9.592   7.952  -1.903
  289   2HD   PRO  60          2HD       PRO  60   9.392   8.780  -3.464
  290    H    ALA  61           H        ALA  61  14.248   5.939  -3.067
  291    HA   ALA  61           HA       ALA  61  13.347   3.826  -1.201
  292   1HB   ALA  61          1HB       ALA  61  15.538   4.109  -2.951
  293   2HB   ALA  61          2HB       ALA  61  15.254   2.789  -1.817
  294   3HB   ALA  61          3HB       ALA  61  16.221   4.180  -1.326
  295    HA   PRO  62           HA       PRO  62  14.465   2.675   0.300
  296   1HB   PRO  62          1HB       PRO  62  13.617   2.141   2.860
  297   2HB   PRO  62          2HB       PRO  62  15.320   2.338   2.414
  298   1HG   PRO  62          1HG       PRO  62  13.530   4.229   3.870
  299   2HG   PRO  62          2HG       PRO  62  15.292   4.065   3.951
  300   1HD   PRO  62          1HD       PRO  62  13.883   6.055   2.518
  301   2HD   PRO  62          2HD       PRO  62  15.606   5.661   2.334
  302    H    PHE  63           H        PHE  63  12.194   5.074   0.685
  303    HA   PHE  63           HA       PHE  63   9.788   3.698   1.348
  304   1HB   PHE  63          1HB       PHE  63   9.894   5.864  -0.746
  305   2HB   PHE  63          2HB       PHE  63   8.663   5.577   0.483
  306    HD1  PHE  63           HD1      PHE  63  10.313   5.134   2.858
  307    HD2  PHE  63           HD2      PHE  63  10.700   8.050  -0.258
  308    HE1  PHE  63           HE1      PHE  63  11.456   6.644   4.428
  309    HE2  PHE  63           HE2      PHE  63  11.879   9.571   1.310
  310    HZ   PHE  63           HZ       PHE  63  12.265   8.867   3.660
  311    H    GLY  64           H        GLY  64   7.999   3.230  -0.409
  312   1HA   GLY  64          1HA       GLY  64   9.367   1.530  -2.419
  313   2HA   GLY  64          2HA       GLY  64   8.393   2.837  -3.077
  314    H    ILE  65           H        ILE  65   8.322  -0.375  -2.389
  315    HA   ILE  65           HA       ILE  65   5.375  -0.325  -1.953
  316    HB   ILE  65           HB       ILE  65   7.029  -1.914  -3.905
  317   1HG1  ILE  65          1HG1      ILE  65   5.147  -0.838  -5.392
  318   2HG1  ILE  65          2HG1      ILE  65   5.007   0.300  -4.046
  319   1HG2  ILE  65          1HG2      ILE  65   4.116  -2.184  -3.140
  320   2HG2  ILE  65          2HG2      ILE  65   4.825  -2.923  -4.571
  321   3HG2  ILE  65          3HG2      ILE  65   5.364  -3.415  -2.964
  322   1HD1  ILE  65          1HD1      ILE  65   7.777  -0.323  -4.950
  323   2HD1  ILE  65          2HD1      ILE  65   6.801   0.609  -6.080
  324   3HD1  ILE  65          3HD1      ILE  65   7.086   1.217  -4.452
  325    H    VAL  66           H        VAL  66   4.468  -2.334  -1.202
  326    HA   VAL  66           HA       VAL  66   6.368  -4.186   0.137
  327    HB   VAL  66           HB       VAL  66   3.843  -3.439   1.572
  328   1HG1  VAL  66          1HG1      VAL  66   6.113  -5.060   2.019
  329   2HG1  VAL  66          2HG1      VAL  66   6.246  -3.712   3.145
  330   3HG1  VAL  66          3HG1      VAL  66   4.801  -4.723   3.149
  331   1HG2  VAL  66          1HG2      VAL  66   5.649  -1.426   0.876
  332   2HG2  VAL  66          2HG2      VAL  66   4.512  -1.373   2.213
  333   3HG2  VAL  66          3HG2      VAL  66   6.167  -1.912   2.484
  334    H    GLY  67           H        GLY  67   5.026  -6.199   0.880
  335   1HA   GLY  67          1HA       GLY  67   2.959  -6.738  -1.218
  336   2HA   GLY  67          2HA       GLY  67   2.806  -7.356   0.430
  337    H    SER  68           H        SER  68   4.452  -7.732  -2.636
  338    HA   SER  68           HA       SER  68   5.729 -10.224  -1.581
  339   1HB   SER  68          1HB       SER  68   5.207 -11.338  -3.666
  340   2HB   SER  68          2HB       SER  68   3.716 -10.638  -3.040
  341    HG   SER  68           HG       SER  68   4.064  -8.867  -4.446
  342    H    GLY  69           H        GLY  69   6.898 -10.720  -4.253
  343   1HA   GLY  69          1HA       GLY  69   8.917  -8.509  -4.266
  344   2HA   GLY  69          2HA       GLY  69   8.429  -9.365  -5.730

  No H/Q in entry =         344
  Start of MODEL    4
    1    H1   MET  20           H1       MET  20  -2.361 -12.448  -7.289
    2    H2   MET  20           H2       MET  20  -3.023 -13.438  -6.082
    3    H3   MET  20           H3       MET  20  -3.811 -13.285  -7.580
    4    HA   MET  20           HA       MET  20  -4.301 -10.981  -7.155
    5   1HB   MET  20          1HB       MET  20  -5.028 -12.463  -4.634
    6   2HB   MET  20          2HB       MET  20  -6.007 -11.336  -5.575
    7   1HG   MET  20          1HG       MET  20  -5.684 -13.158  -7.475
    8   2HG   MET  20          2HG       MET  20  -5.416 -14.225  -6.096
    9   1HE   MET  20          1HE       MET  20  -7.158 -15.471  -5.075
   10   2HE   MET  20          2HE       MET  20  -7.042 -14.126  -3.942
   11   3HE   MET  20          3HE       MET  20  -8.626 -14.749  -4.422
   12    H    GLY  21           H        GLY  21  -2.641  -9.513  -6.718
   13   1HA   GLY  21          1HA       GLY  21  -0.739  -9.475  -4.728
   14   2HA   GLY  21          2HA       GLY  21  -2.184  -8.890  -3.902
   15    H    ASN  22           H        ASN  22  -2.677  -6.743  -4.133
   16    HA   ASN  22           HA       ASN  22  -1.890  -5.240  -6.512
   17   1HB   ASN  22          1HB       ASN  22  -2.936  -4.110  -3.906
   18   2HB   ASN  22          2HB       ASN  22  -3.047  -3.396  -5.516
   19   2HD2  ASN  22          2HD2      ASN  22  -5.273  -4.202  -3.627
   20   1HD2  ASN  22          1HD2      ASN  22  -6.236  -5.280  -4.517
   21    H    GLN  23           H        GLN  23  -0.672  -3.095  -6.166
   22    HA   GLN  23           HA       GLN  23   1.908  -3.688  -4.999
   23   1HB   GLN  23          1HB       GLN  23   0.776  -1.040  -5.928
   24   2HB   GLN  23          2HB       GLN  23   2.470  -1.378  -5.614
   25   1HG   GLN  23          1HG       GLN  23   2.596  -2.939  -7.426
   26   2HG   GLN  23          2HG       GLN  23   0.842  -2.950  -7.619
   27   2HE2  GLN  23          2HE2      GLN  23   3.230  -2.019  -9.431
   28   1HE2  GLN  23          1HE2      GLN  23   2.725  -0.489  -9.965
   29    H    GLN  24           H        GLN  24   2.923  -2.442  -3.246
   30    HA   GLN  24           HA       GLN  24   0.895  -1.358  -1.390
   31   1HB   GLN  24          1HB       GLN  24   2.855  -3.484  -0.936
   32   2HB   GLN  24          2HB       GLN  24   2.853  -2.242   0.314
   33   1HG   GLN  24          1HG       GLN  24   0.541  -2.578   0.786
   34   2HG   GLN  24          2HG       GLN  24   0.309  -3.539  -0.675
   35   2HE2  GLN  24          2HE2      GLN  24  -0.160  -4.357   2.183
   36   1HE2  GLN  24          1HE2      GLN  24   0.815  -5.724   2.426
   37    H    CYS  25           H        CYS  25   1.950  -0.100   0.451
   38    HA   CYS  25           HA       CYS  25   3.831   1.791  -0.837
   39   1HB   CYS  25          1HB       CYS  25   1.886   2.377   1.396
   40   2HB   CYS  25          2HB       CYS  25   2.638   3.534   0.276
   41    H    ASN  26           H        ASN  26   5.715   0.631   0.180
   42    HA   ASN  26           HA       ASN  26   5.956   0.367   3.030
   43   1HB   ASN  26          1HB       ASN  26   7.606  -0.640   1.411
   44   2HB   ASN  26          2HB       ASN  26   8.145   1.001   0.998
   45   2HD2  ASN  26          2HD2      ASN  26   9.208   2.266   2.750
   46   1HD2  ASN  26          1HD2      ASN  26   9.929   1.463   4.060
   47    H    TRP  27           H        TRP  27   5.048   2.249   3.915
   48    HA   TRP  27           HA       TRP  27   5.771   4.854   2.874
   49   1HB   TRP  27          1HB       TRP  27   3.573   3.935   4.140
   50   2HB   TRP  27          2HB       TRP  27   4.450   4.552   5.547
   51    HD1  TRP  27           HD1      TRP  27   3.386   6.758   6.048
   52    HE1  TRP  27           HE1      TRP  27   2.879   8.913   4.714
   53    HE3  TRP  27           HE3      TRP  27   4.571   5.146   1.359
   54    HZ2  TRP  27           HZ2      TRP  27   2.974   9.814   1.993
   55    HZ3  TRP  27           HZ3      TRP  27   4.368   6.650  -0.545
   56    HH2  TRP  27           HH2      TRP  27   3.566   8.983  -0.268
   57    H    TYR  28           H        TYR  28   7.958   5.262   3.255
   58    HA   TYR  28           HA       TYR  28   9.941   5.438   4.541
   59   1HB   TYR  28          1HB       TYR  28   8.180   6.906   6.462
   60   2HB   TYR  28          2HB       TYR  28   9.830   7.299   5.967
   61    HD1  TYR  28           HD1      TYR  28  10.262   8.222   3.708
   62    HD2  TYR  28           HD2      TYR  28   6.273   7.621   5.155
   63    HE1  TYR  28           HE1      TYR  28   9.402   9.703   1.911
   64    HE2  TYR  28           HE2      TYR  28   5.408   9.118   3.370
   65    HH   TYR  28           HH       TYR  28   7.603  10.578   0.974
   66    H    GLY  29           H        GLY  29   8.384   3.020   5.277
   67   1HA   GLY  29          1HA       GLY  29   9.312   2.819   8.116
   68   2HA   GLY  29          2HA       GLY  29   9.461   1.495   6.963
   69    H    THR  30           H        THR  30   6.649   2.403   5.950
   70    HA   THR  30           HA       THR  30   5.169   0.846   8.023
   71    HB   THR  30           HB       THR  30   3.829   3.120   6.572
   72    HG1  THR  30           HG1      THR  30   5.767   3.845   7.708
   73   1HG2  THR  30          1HG2      THR  30   3.231   1.241   8.726
   74   2HG2  THR  30          2HG2      THR  30   2.923   2.913   9.192
   75   3HG2  THR  30          3HG2      THR  30   2.132   2.235   7.770
   76    H    LEU  31           H        LEU  31   2.780   0.469   6.844
   77    HA   LEU  31           HA       LEU  31   3.301  -0.278   4.014
   78   1HB   LEU  31          1HB       LEU  31   3.032  -2.059   6.299
   79   2HB   LEU  31          2HB       LEU  31   1.825  -2.399   5.059
   80    HG   LEU  31           HG       LEU  31   3.851  -3.699   4.609
   81   1HD1  LEU  31          1HD1      LEU  31   2.512  -2.132   2.802
   82   2HD1  LEU  31          2HD1      LEU  31   4.180  -1.624   2.537
   83   3HD1  LEU  31          3HD1      LEU  31   3.739  -3.323   2.370
   84   1HD2  LEU  31          1HD2      LEU  31   5.172  -1.507   5.661
   85   2HD2  LEU  31          2HD2      LEU  31   5.945  -2.857   4.832
   86   3HD2  LEU  31          3HD2      LEU  31   5.540  -1.392   3.940
   87    H    TYR  32           H        TYR  32   1.700   0.708   2.909
   88    HA   TYR  32           HA       TYR  32  -1.070   0.614   4.050
   89   1HB   TYR  32          1HB       TYR  32   0.313   2.828   2.496
   90   2HB   TYR  32          2HB       TYR  32  -1.446   2.759   2.721
   91    HD1  TYR  32           HD1      TYR  32  -2.438   3.031   4.956
   92    HD2  TYR  32           HD2      TYR  32   1.796   3.353   4.336
   93    HE1  TYR  32           HE1      TYR  32  -2.193   4.090   7.184
   94    HE2  TYR  32           HE2      TYR  32   2.049   4.406   6.565
   95    HH   TYR  32           HH       TYR  32   0.527   5.746   8.142
   96    HA   PRO  33           HA       PRO  33  -1.998  -1.363   0.210
   97   1HB   PRO  33          1HB       PRO  33  -4.707  -0.877   0.160
   98   2HB   PRO  33          2HB       PRO  33  -3.959  -2.118   1.181
   99   1HG   PRO  33          1HG       PRO  33  -5.038   0.558   1.963
  100   2HG   PRO  33          2HG       PRO  33  -4.913  -0.925   2.924
  101   1HD   PRO  33          1HD       PRO  33  -3.172   1.282   3.110
  102   2HD   PRO  33          2HD       PRO  33  -2.838  -0.348   3.734
  103    H    LEU  34           H        LEU  34  -1.980  -0.576  -1.953
  104    HA   LEU  34           HA       LEU  34  -2.036   2.307  -2.213
  105   1HB   LEU  34          1HB       LEU  34  -0.445   1.583  -3.606
  106   2HB   LEU  34          2HB       LEU  34  -1.198   0.012  -3.847
  107    HG   LEU  34           HG       LEU  34  -2.875   1.144  -5.302
  108   1HD1  LEU  34          1HD1      LEU  34  -1.125   3.493  -4.674
  109   2HD1  LEU  34          2HD1      LEU  34  -1.910   3.405  -6.255
  110   3HD1  LEU  34          3HD1      LEU  34  -2.876   3.431  -4.802
  111   1HD2  LEU  34          1HD2      LEU  34  -0.900  -0.058  -6.182
  112   2HD2  LEU  34          2HD2      LEU  34  -1.384   1.271  -7.231
  113   3HD2  LEU  34          3HD2      LEU  34   0.005   1.453  -6.160
  114    H    CYS  35           H        CYS  35  -3.472   3.540  -2.995
  115    HA   CYS  35           HA       CYS  35  -6.148   2.528  -3.771
  116   1HB   CYS  35          1HB       CYS  35  -5.170   4.771  -2.315
  117   2HB   CYS  35          2HB       CYS  35  -5.874   5.379  -3.808
  118    H    VAL  36           H        VAL  36  -5.622   1.885  -5.942
  119    HA   VAL  36           HA       VAL  36  -4.161   3.623  -7.720
  120    HB   VAL  36           HB       VAL  36  -5.760   1.109  -8.081
  121   1HG1  VAL  36          1HG1      VAL  36  -5.218   3.169 -10.122
  122   2HG1  VAL  36          2HG1      VAL  36  -4.637   1.561 -10.554
  123   3HG1  VAL  36          3HG1      VAL  36  -6.341   1.809 -10.170
  124   1HG2  VAL  36          1HG2      VAL  36  -2.976   1.973  -7.853
  125   2HG2  VAL  36          2HG2      VAL  36  -3.658   0.348  -7.718
  126   3HG2  VAL  36          3HG2      VAL  36  -3.241   0.997  -9.303
  127    H    THR  37           H        THR  37  -7.629   3.173  -7.062
  128    HA   THR  37           HA       THR  37  -8.457   4.931  -9.237
  129    HB   THR  37           HB       THR  37 -10.175   4.847  -6.829
  130    HG1  THR  37           HG1      THR  37 -10.452   2.725  -6.769
  131   1HG2  THR  37          1HG2      THR  37 -10.403   5.068  -9.658
  132   2HG2  THR  37          2HG2      THR  37 -11.300   3.631  -9.164
  133   3HG2  THR  37          3HG2      THR  37 -11.685   5.199  -8.453
  134    H    THR  38           H        THR  38  -7.504   5.301  -5.881
  135    HA   THR  38           HA       THR  38  -7.824   8.233  -6.208
  136    HB   THR  38           HB       THR  38  -7.142   6.621  -3.732
  137    HG1  THR  38           HG1      THR  38  -9.208   6.677  -3.424
  138   1HG2  THR  38          1HG2      THR  38  -6.711   9.356  -4.498
  139   2HG2  THR  38          2HG2      THR  38  -7.845   9.282  -3.145
  140   3HG2  THR  38          3HG2      THR  38  -6.245   8.544  -3.003
  141    H    THR  39           H        THR  39  -5.909   6.549  -7.589
  142    HA   THR  39           HA       THR  39  -3.256   6.778  -6.590
  143    HB   THR  39           HB       THR  39  -3.696   5.394  -8.549
  144    HG1  THR  39           HG1      THR  39  -2.240   7.692  -9.345
  145   1HG2  THR  39          1HG2      THR  39  -5.443   7.378  -9.266
  146   2HG2  THR  39          2HG2      THR  39  -4.111   7.666 -10.384
  147   3HG2  THR  39          3HG2      THR  39  -4.905   6.092 -10.346
  148    H    ASN  40           H        ASN  40  -5.519   8.993  -7.631
  149    HA   ASN  40           HA       ASN  40  -3.741  11.116  -8.516
  150   1HB   ASN  40          1HB       ASN  40  -6.291  10.479  -9.032
  151   2HB   ASN  40          2HB       ASN  40  -6.557  11.559  -7.662
  152   2HD2  ASN  40          2HD2      ASN  40  -4.363  13.384  -8.131
  153   1HD2  ASN  40          1HD2      ASN  40  -4.693  14.244  -9.557
  154    H    GLY  41           H        GLY  41  -3.088  10.167  -5.900
  155   1HA   GLY  41          1HA       GLY  41  -3.925  12.444  -4.161
  156   2HA   GLY  41          2HA       GLY  41  -2.256  11.869  -4.213
  157    H    TRP  42           H        TRP  42  -3.732  11.916  -1.794
  158    HA   TRP  42           HA       TRP  42  -3.547   9.092  -1.039
  159   1HB   TRP  42          1HB       TRP  42  -3.962  11.680   0.393
  160   2HB   TRP  42          2HB       TRP  42  -4.528  10.214   1.182
  161    HD1  TRP  42           HD1      TRP  42  -1.294  11.732  -0.280
  162    HE1  TRP  42           HE1      TRP  42   0.697  10.679   0.922
  163    HE3  TRP  42           HE3      TRP  42  -3.725   8.258   2.546
  164    HZ2  TRP  42           HZ2      TRP  42   1.214   8.615   2.853
  165    HZ3  TRP  42           HZ3      TRP  42  -2.469   6.759   4.055
  166    HH2  TRP  42           HH2      TRP  42   0.003   6.923   4.215
  167    H    GLY  43           H        GLY  43  -5.272   7.723  -0.589
  168   1HA   GLY  43          1HA       GLY  43  -7.609   7.511  -1.763
  169   2HA   GLY  43          2HA       GLY  43  -8.020   8.871  -0.718
  170    H    TRP  44           H        TRP  44  -9.550   6.723  -0.332
  171    HA   TRP  44           HA       TRP  44  -8.361   5.224   1.964
  172   1HB   TRP  44          1HB       TRP  44  -9.856   7.165   2.676
  173   2HB   TRP  44          2HB       TRP  44 -11.188   6.291   1.949
  174    HD1  TRP  44           HD1      TRP  44 -11.917   4.014   3.077
  175    HE1  TRP  44           HE1      TRP  44 -11.541   3.070   5.435
  176    HE3  TRP  44           HE3      TRP  44  -8.184   7.064   4.644
  177    HZ2  TRP  44           HZ2      TRP  44  -9.919   3.523   7.658
  178    HZ3  TRP  44           HZ3      TRP  44  -7.218   6.794   6.924
  179    HH2  TRP  44           HH2      TRP  44  -8.081   5.022   8.440
  180    H    GLU  45           H        GLU  45  -8.658   3.052   1.686
  181    HA   GLU  45           HA       GLU  45 -11.125   1.957   0.618
  182   1HB   GLU  45          1HB       GLU  45 -10.101   2.676  -1.496
  183   2HB   GLU  45          2HB       GLU  45  -8.624   1.801  -1.093
  184   1HG   GLU  45          1HG       GLU  45  -9.632  -0.294  -1.363
  185   2HG   GLU  45          2HG       GLU  45 -11.257   0.352  -1.130
  186    H    ASP  46           H        ASP  46 -10.997  -0.470   0.539
  187    HA   ASP  46           HA       ASP  46 -10.262  -2.536   1.407
  188   1HB   ASP  46          1HB       ASP  46  -7.924  -1.205   0.719
  189   2HB   ASP  46          2HB       ASP  46  -7.679  -1.632   2.411
  190    H    GLN  47           H        GLN  47 -11.499  -0.357   2.998
  191    HA   GLN  47           HA       GLN  47 -12.060   0.059   5.234
  192   1HB   GLN  47          1HB       GLN  47 -12.014  -2.584   4.996
  193   2HB   GLN  47          2HB       GLN  47 -10.621  -2.428   6.068
  194   1HG   GLN  47          1HG       GLN  47 -12.139  -0.923   7.517
  195   2HG   GLN  47          2HG       GLN  47 -13.475  -1.584   6.575
  196   2HE2  GLN  47          2HE2      GLN  47 -12.507  -4.265   6.244
  197   1HE2  GLN  47          1HE2      GLN  47 -12.479  -5.013   7.767
  198    H    ARG  48           H        ARG  48  -9.236   0.561   4.033
  199    HA   ARG  48           HA       ARG  48  -8.091   1.574   6.555
  200   1HB   ARG  48          1HB       ARG  48  -6.885  -0.616   4.906
  201   2HB   ARG  48          2HB       ARG  48  -5.804   0.583   5.617
  202   1HG   ARG  48          1HG       ARG  48  -6.821   0.145   7.844
  203   2HG   ARG  48          2HG       ARG  48  -7.827  -1.108   7.115
  204   1HD   ARG  48          1HD       ARG  48  -5.395  -1.896   6.224
  205   2HD   ARG  48          2HD       ARG  48  -4.927  -1.142   7.748
  206    HE   ARG  48           HE       ARG  48  -6.717  -3.498   7.469
  207   1HH1  ARG  48          1HH1      ARG  48  -6.529  -1.018   9.635
  208   2HH1  ARG  48          2HH1      ARG  48  -6.031  -1.969  10.994
  209   1HH2  ARG  48          1HH2      ARG  48  -5.424  -4.818   9.113
  210   2HH2  ARG  48          2HH2      ARG  48  -5.405  -4.121  10.699
  211    H    SER  49           H        SER  49  -6.405   3.196   6.117
  212    HA   SER  49           HA       SER  49  -7.013   4.882   3.907
  213   1HB   SER  49          1HB       SER  49  -4.554   5.747   4.515
  214   2HB   SER  49          2HB       SER  49  -5.928   6.070   5.565
  215    HG   SER  49           HG       SER  49  -5.245   4.562   6.944
  216    H    CYS  50           H        CYS  50  -6.343   4.819   1.810
  217    HA   CYS  50           HA       CYS  50  -4.155   2.898   1.131
  218   1HB   CYS  50          1HB       CYS  50  -5.255   3.048  -1.216
  219   2HB   CYS  50          2HB       CYS  50  -6.090   2.115   0.026
  220    H    ILE  51           H        ILE  51  -2.471   3.645  -0.219
  221    HA   ILE  51           HA       ILE  51  -2.418   6.599  -0.570
  222    HB   ILE  51           HB       ILE  51  -0.297   4.511  -0.164
  223   1HG1  ILE  51          1HG1      ILE  51  -0.583   7.318   0.894
  224   2HG1  ILE  51          2HG1      ILE  51  -1.338   5.926   1.676
  225   1HG2  ILE  51          1HG2      ILE  51   0.095   7.264  -1.369
  226   2HG2  ILE  51          2HG2      ILE  51   1.393   6.220  -0.780
  227   3HG2  ILE  51          3HG2      ILE  51   0.417   5.722  -2.172
  228   1HD1  ILE  51          1HD1      ILE  51   1.329   5.164   1.168
  229   2HD1  ILE  51          2HD1      ILE  51   1.419   6.804   1.806
  230   3HD1  ILE  51          3HD1      ILE  51   0.618   5.538   2.737
  231    H    ALA  52           H        ALA  52  -2.365   7.450  -2.563
  232    HA   ALA  52           HA       ALA  52  -3.135   6.182  -4.868
  233   1HB   ALA  52          1HB       ALA  52  -3.044   8.393  -5.288
  234   2HB   ALA  52          2HB       ALA  52  -1.446   8.018  -5.940
  235   3HB   ALA  52          3HB       ALA  52  -1.610   8.635  -4.293
  236    H    ARG  53           H        ARG  53  -1.820   5.762  -6.910
  237    HA   ARG  53           HA       ARG  53  -0.095   3.580  -6.537
  238   1HB   ARG  53          1HB       ARG  53  -1.142   5.080  -8.729
  239   2HB   ARG  53          2HB       ARG  53   0.584   4.857  -9.000
  240   1HG   ARG  53          1HG       ARG  53   0.059   2.384  -8.256
  241   2HG   ARG  53          2HG       ARG  53  -1.580   2.812  -8.753
  242   1HD   ARG  53          1HD       ARG  53  -0.156   3.796 -10.850
  243   2HD   ARG  53          2HD       ARG  53   0.852   2.421 -10.397
  244    HE   ARG  53           HE       ARG  53  -1.822   1.500 -10.471
  245   1HH1  ARG  53          1HH1      ARG  53  -0.913   3.591 -12.807
  246   2HH1  ARG  53          2HH1      ARG  53  -0.829   2.449 -14.107
  247   1HH2  ARG  53          1HH2      ARG  53  -1.073  -0.324 -12.039
  248   2HH2  ARG  53          2HH2      ARG  53  -0.921   0.233 -13.672
  249    H    SER  54           H        SER  54   1.219   6.465  -8.176
  250    HA   SER  54           HA       SER  54   3.827   5.750  -7.455
  251   1HB   SER  54          1HB       SER  54   2.550   8.285  -8.448
  252   2HB   SER  54          2HB       SER  54   4.215   8.351  -7.877
  253    HG   SER  54           HG       SER  54   4.534   7.733  -9.893
  254    H    THR  55           H        THR  55   1.631   8.156  -5.903
  255    HA   THR  55           HA       THR  55   3.396   9.015  -3.892
  256    HB   THR  55           HB       THR  55   0.459   8.406  -3.624
  257    HG1  THR  55           HG1      THR  55   1.964  10.707  -4.253
  258   1HG2  THR  55          1HG2      THR  55   2.133   8.656  -1.522
  259   2HG2  THR  55          2HG2      THR  55   1.830  10.366  -1.861
  260   3HG2  THR  55          3HG2      THR  55   0.481   9.290  -1.504
  261    H    CYS  56           H        CYS  56   1.741   6.012  -4.343
  262    HA   CYS  56           HA       CYS  56   2.271   4.912  -1.700
  263   1HB   CYS  56          1HB       CYS  56   0.465   3.959  -3.155
  264   2HB   CYS  56          2HB       CYS  56   1.619   3.547  -4.373
  265    H    ALA  57           H        ALA  57   3.408   3.633  -4.724
  266    HA   ALA  57           HA       ALA  57   5.870   2.839  -3.414
  267   1HB   ALA  57          1HB       ALA  57   4.632   2.241  -6.079
  268   2HB   ALA  57          2HB       ALA  57   4.439   1.281  -4.581
  269   3HB   ALA  57          3HB       ALA  57   6.026   1.391  -5.383
  270    H    ALA  58           H        ALA  58   4.934   4.819  -6.260
  271    HA   ALA  58           HA       ALA  58   7.362   5.202  -7.503
  272   1HB   ALA  58          1HB       ALA  58   6.678   7.531  -8.010
  273   2HB   ALA  58          2HB       ALA  58   5.401   7.399  -6.806
  274   3HB   ALA  58          3HB       ALA  58   5.363   6.383  -8.246
  275    H    GLN  59           H        GLN  59   6.544   6.279  -4.281
  276    HA   GLN  59           HA       GLN  59   8.451   8.292  -3.847
  277   1HB   GLN  59          1HB       GLN  59   7.388   6.100  -2.058
  278   2HB   GLN  59          2HB       GLN  59   8.509   7.324  -1.460
  279   1HG   GLN  59          1HG       GLN  59   6.849   9.017  -2.561
  280   2HG   GLN  59          2HG       GLN  59   5.706   7.676  -2.490
  281   2HE2  GLN  59          2HE2      GLN  59   7.160   6.694   0.050
  282   1HE2  GLN  59          1HE2      GLN  59   6.562   7.707   1.273
  283    HA   PRO  60           HA       PRO  60  12.359   6.358  -4.169
  284   1HB   PRO  60          1HB       PRO  60  13.762   7.641  -2.175
  285   2HB   PRO  60          2HB       PRO  60  13.340   8.385  -3.728
  286   1HG   PRO  60          1HG       PRO  60  12.116   8.824  -1.038
  287   2HG   PRO  60          2HG       PRO  60  12.238   9.937  -2.411
  288   1HD   PRO  60          1HD       PRO  60   9.925   8.521  -1.677
  289   2HD   PRO  60          2HD       PRO  60  10.207   9.279  -3.259
  290    H    ALA  61           H        ALA  61  14.089   5.141  -2.839
  291    HA   ALA  61           HA       ALA  61  12.726   3.215  -1.122
  292   1HB   ALA  61          1HB       ALA  61  14.777   2.931  -2.809
  293   2HB   ALA  61          2HB       ALA  61  14.601   1.893  -1.394
  294   3HB   ALA  61          3HB       ALA  61  15.705   3.267  -1.347
  295    HA   PRO  62           HA       PRO  62  13.648   1.692   0.267
  296   1HB   PRO  62          1HB       PRO  62  12.617   0.997   2.720
  297   2HB   PRO  62          2HB       PRO  62  14.349   0.992   2.346
  298   1HG   PRO  62          1HG       PRO  62  12.784   2.946   3.969
  299   2HG   PRO  62          2HG       PRO  62  14.499   2.516   4.078
  300   1HD   PRO  62          1HD       PRO  62  13.456   4.843   2.859
  301   2HD   PRO  62          2HD       PRO  62  15.111   4.224   2.674
  302    H    PHE  63           H        PHE  63  11.746   4.313   0.612
  303    HA   PHE  63           HA       PHE  63   9.126   3.253   1.144
  304   1HB   PHE  63          1HB       PHE  63   9.409   5.485  -0.827
  305   2HB   PHE  63          2HB       PHE  63   8.346   5.355   0.573
  306    HD1  PHE  63           HD1      PHE  63   9.999   4.829   2.790
  307    HD2  PHE  63           HD2      PHE  63  10.844   7.331  -0.576
  308    HE1  PHE  63           HE1      PHE  63  11.584   6.132   4.167
  309    HE2  PHE  63           HE2      PHE  63  12.457   8.634   0.787
  310    HZ   PHE  63           HZ       PHE  63  12.834   8.030   3.164
  311    H    GLY  64           H        GLY  64   7.396   2.899  -0.652
  312   1HA   GLY  64          1HA       GLY  64   8.866   1.634  -2.965
  313   2HA   GLY  64          2HA       GLY  64   7.632   2.816  -3.321
  314    H    ILE  65           H        ILE  65   7.398   0.374  -4.462
  315    HA   ILE  65           HA       ILE  65   4.815  -0.523  -3.547
  316    HB   ILE  65           HB       ILE  65   6.701  -1.280  -5.736
  317   1HG1  ILE  65          1HG1      ILE  65   4.009  -1.472  -6.539
  318   2HG1  ILE  65          2HG1      ILE  65   4.062  -0.080  -5.463
  319   1HG2  ILE  65          1HG2      ILE  65   4.624  -3.158  -4.601
  320   2HG2  ILE  65          2HG2      ILE  65   5.148  -3.249  -6.283
  321   3HG2  ILE  65          3HG2      ILE  65   6.313  -3.498  -4.982
  322   1HD1  ILE  65          1HD1      ILE  65   6.303   0.381  -6.912
  323   2HD1  ILE  65          2HD1      ILE  65   5.374  -0.521  -8.108
  324   3HD1  ILE  65          3HD1      ILE  65   4.717   0.963  -7.418
  325    H    VAL  66           H        VAL  66   4.372  -2.042  -2.019
  326    HA   VAL  66           HA       VAL  66   6.610  -3.848  -1.185
  327    HB   VAL  66           HB       VAL  66   4.222  -3.463   0.566
  328   1HG1  VAL  66          1HG1      VAL  66   7.178  -3.960   0.873
  329   2HG1  VAL  66          2HG1      VAL  66   6.204  -3.435   2.246
  330   3HG1  VAL  66          3HG1      VAL  66   5.828  -4.952   1.428
  331   1HG2  VAL  66          1HG2      VAL  66   6.185  -1.340  -0.174
  332   2HG2  VAL  66          2HG2      VAL  66   4.498  -1.186   0.321
  333   3HG2  VAL  66          3HG2      VAL  66   5.749  -1.483   1.530
  334    H    GLY  67           H        GLY  67   5.624  -5.994  -0.235
  335   1HA   GLY  67          1HA       GLY  67   3.235  -6.797  -1.831
  336   2HA   GLY  67          2HA       GLY  67   3.805  -7.630  -0.382
  337    H    SER  68           H        SER  68   5.527  -6.565  -3.331
  338    HA   SER  68           HA       SER  68   6.795  -9.230  -3.483
  339   1HB   SER  68          1HB       SER  68   6.183  -9.192  -6.027
  340   2HB   SER  68          2HB       SER  68   4.988  -9.771  -4.871
  341    HG   SER  68           HG       SER  68   3.784  -8.104  -5.321
  342    H    GLY  69           H        GLY  69   8.842  -9.098  -4.392
  343   1HA   GLY  69          1HA       GLY  69  10.785  -8.073  -5.217
  344   2HA   GLY  69          2HA       GLY  69  10.110  -6.561  -4.609

  No H/Q in entry =         344
  Start of MODEL    5
    1    H1   MET  20           H1       MET  20  -4.171 -11.162 -10.677
    2    H2   MET  20           H2       MET  20  -4.876 -11.062  -9.136
    3    H3   MET  20           H3       MET  20  -5.811 -11.550 -10.463
    4    HA   MET  20           HA       MET  20  -5.826  -9.421 -11.407
    5   1HB   MET  20          1HB       MET  20  -7.331  -9.660  -9.472
    6   2HB   MET  20          2HB       MET  20  -6.031  -9.154  -8.392
    7   1HG   MET  20          1HG       MET  20  -6.111  -6.949  -9.100
    8   2HG   MET  20          2HG       MET  20  -6.739  -7.375 -10.693
    9   1HE   MET  20          1HE       MET  20  -8.830  -6.881 -11.394
   10   2HE   MET  20          2HE       MET  20 -10.117  -6.170 -10.425
   11   3HE   MET  20          3HE       MET  20  -8.539  -5.377 -10.524
   12    H    GLY  21           H        GLY  21  -3.791  -9.243  -8.458
   13   1HA   GLY  21          1HA       GLY  21  -2.063  -7.306  -9.948
   14   2HA   GLY  21          2HA       GLY  21  -1.427  -8.468  -8.782
   15    H    ASN  22           H        ASN  22  -0.667  -7.125  -7.168
   16    HA   ASN  22           HA       ASN  22  -2.298  -4.841  -6.264
   17   1HB   ASN  22          1HB       ASN  22  -2.923  -7.152  -5.080
   18   2HB   ASN  22          2HB       ASN  22  -1.498  -6.758  -4.116
   19   2HD2  ASN  22          2HD2      ASN  22  -2.724  -6.221  -2.190
   20   1HD2  ASN  22          1HD2      ASN  22  -3.708  -4.841  -2.110
   21    H    GLN  23           H        GLN  23  -1.009  -3.260  -5.334
   22    HA   GLN  23           HA       GLN  23   1.851  -3.997  -4.840
   23   1HB   GLN  23          1HB       GLN  23   0.798  -1.399  -5.980
   24   2HB   GLN  23          2HB       GLN  23   2.484  -1.794  -5.694
   25   1HG   GLN  23          1HG       GLN  23   2.479  -3.497  -7.367
   26   2HG   GLN  23          2HG       GLN  23   0.720  -3.465  -7.488
   27   2HE2  GLN  23          2HE2      GLN  23   3.324  -2.569  -9.241
   28   1HE2  GLN  23          1HE2      GLN  23   2.730  -1.164  -9.987
   29    H    GLN  24           H        GLN  24   2.929  -2.613  -3.213
   30    HA   GLN  24           HA       GLN  24   0.953  -1.262  -1.477
   31   1HB   GLN  24          1HB       GLN  24   2.449  -3.616  -0.857
   32   2HB   GLN  24          2HB       GLN  24   2.989  -2.310   0.197
   33   1HG   GLN  24          1HG       GLN  24   1.038  -2.286   1.347
   34   2HG   GLN  24          2HG       GLN  24   0.076  -2.386  -0.129
   35   2HE2  GLN  24          2HE2      GLN  24  -1.157  -3.975   1.438
   36   1HE2  GLN  24          1HE2      GLN  24  -0.664  -5.599   1.389
   37    H    CYS  25           H        CYS  25   2.192  -0.120   0.392
   38    HA   CYS  25           HA       CYS  25   4.121   1.679  -0.948
   39   1HB   CYS  25          1HB       CYS  25   2.400   2.301   1.454
   40   2HB   CYS  25          2HB       CYS  25   3.121   3.450   0.302
   41    H    ASN  26           H        ASN  26   6.114   1.708  -0.104
   42    HA   ASN  26           HA       ASN  26   6.613   0.581   2.592
   43   1HB   ASN  26          1HB       ASN  26   8.268  -0.121   0.935
   44   2HB   ASN  26          2HB       ASN  26   8.471   1.550   0.370
   45   2HD2  ASN  26          2HD2      ASN  26   9.891  -0.766   2.345
   46   1HD2  ASN  26          1HD2      ASN  26  10.764   0.262   3.377
   47    H    TRP  27           H        TRP  27   5.226   2.333   3.313
   48    HA   TRP  27           HA       TRP  27   5.806   5.045   2.761
   49   1HB   TRP  27          1HB       TRP  27   3.697   3.789   3.879
   50   2HB   TRP  27          2HB       TRP  27   4.493   4.352   5.359
   51    HD1  TRP  27           HD1      TRP  27   3.220   6.422   6.010
   52    HE1  TRP  27           HE1      TRP  27   2.584   8.635   4.830
   53    HE3  TRP  27           HE3      TRP  27   4.676   5.282   1.270
   54    HZ2  TRP  27           HZ2      TRP  27   2.699   9.755   2.190
   55    HZ3  TRP  27           HZ3      TRP  27   4.409   6.910  -0.534
   56    HH2  TRP  27           HH2      TRP  27   3.426   9.152  -0.102
   57    H    TYR  28           H        TYR  28   7.948   5.576   3.184
   58    HA   TYR  28           HA       TYR  28   9.914   5.795   4.492
   59   1HB   TYR  28          1HB       TYR  28   8.129   7.097   6.492
   60   2HB   TYR  28          2HB       TYR  28   9.677   7.662   5.845
   61    HD1  TYR  28           HD1      TYR  28   9.752   8.425   3.402
   62    HD2  TYR  28           HD2      TYR  28   6.073   7.834   5.537
   63    HE1  TYR  28           HE1      TYR  28   8.569   9.830   1.739
   64    HE2  TYR  28           HE2      TYR  28   4.893   9.252   3.874
   65    HH   TYR  28           HH       TYR  28   5.931  11.308   2.150
   66    H    GLY  29           H        GLY  29   8.592   3.266   5.127
   67   1HA   GLY  29          1HA       GLY  29   9.597   3.011   7.925
   68   2HA   GLY  29          2HA       GLY  29   9.556   1.695   6.753
   69    H    THR  30           H        THR  30   6.819   2.408   5.853
   70    HA   THR  30           HA       THR  30   5.376   0.967   7.973
   71    HB   THR  30           HB       THR  30   4.014   3.453   7.054
   72    HG1  THR  30           HG1      THR  30   5.049   4.616   8.715
   73   1HG2  THR  30          1HG2      THR  30   2.944   1.731   8.511
   74   2HG2  THR  30          2HG2      THR  30   4.173   2.050   9.734
   75   3HG2  THR  30          3HG2      THR  30   3.033   3.316   9.279
   76    H    LEU  31           H        LEU  31   4.416  -0.589   6.788
   77    HA   LEU  31           HA       LEU  31   3.961  -0.354   3.956
   78   1HB   LEU  31          1HB       LEU  31   3.798  -2.407   5.979
   79   2HB   LEU  31          2HB       LEU  31   2.388  -2.474   4.921
   80    HG   LEU  31           HG       LEU  31   4.361  -3.821   4.102
   81   1HD1  LEU  31          1HD1      LEU  31   2.617  -2.079   2.710
   82   2HD1  LEU  31          2HD1      LEU  31   4.197  -1.921   1.940
   83   3HD1  LEU  31          3HD1      LEU  31   3.435  -3.507   2.076
   84   1HD2  LEU  31          1HD2      LEU  31   5.795  -1.564   4.815
   85   2HD2  LEU  31          2HD2      LEU  31   6.400  -2.866   3.794
   86   3HD2  LEU  31          3HD2      LEU  31   5.705  -1.422   3.059
   87    H    TYR  32           H        TYR  32   2.055  -0.136   2.811
   88    HA   TYR  32           HA       TYR  32  -0.500   0.309   4.237
   89   1HB   TYR  32          1HB       TYR  32   1.049   2.423   2.744
   90   2HB   TYR  32          2HB       TYR  32  -0.724   2.451   2.711
   91    HD1  TYR  32           HD1      TYR  32   2.170   2.242   5.086
   92    HD2  TYR  32           HD2      TYR  32  -1.905   3.447   4.470
   93    HE1  TYR  32           HE1      TYR  32   2.147   3.315   7.319
   94    HE2  TYR  32           HE2      TYR  32  -1.929   4.517   6.706
   95    HH   TYR  32           HH       TYR  32  -0.241   3.941   9.034
   96    HA   PRO  33           HA       PRO  33  -1.852  -1.563   0.457
   97   1HB   PRO  33          1HB       PRO  33  -4.514  -0.897   0.606
   98   2HB   PRO  33          2HB       PRO  33  -3.778  -2.188   1.572
   99   1HG   PRO  33          1HG       PRO  33  -4.627   0.545   2.428
  100   2HG   PRO  33          2HG       PRO  33  -4.510  -0.942   3.383
  101   1HD   PRO  33          1HD       PRO  33  -2.635   1.170   3.400
  102   2HD   PRO  33          2HD       PRO  33  -2.362  -0.463   4.042
  103    H    LEU  34           H        LEU  34  -1.907  -0.758  -1.698
  104    HA   LEU  34           HA       LEU  34  -1.933   2.150  -1.937
  105   1HB   LEU  34          1HB       LEU  34  -0.322   1.456  -3.320
  106   2HB   LEU  34          2HB       LEU  34  -1.039  -0.130  -3.559
  107    HG   LEU  34           HG       LEU  34  -2.737   0.979  -5.034
  108   1HD1  LEU  34          1HD1      LEU  34  -0.931   3.334  -4.527
  109   2HD1  LEU  34          2HD1      LEU  34  -1.864   3.217  -6.021
  110   3HD1  LEU  34          3HD1      LEU  34  -2.681   3.282  -4.475
  111   1HD2  LEU  34          1HD2      LEU  34  -0.745  -0.233  -5.879
  112   2HD2  LEU  34          2HD2      LEU  34  -1.243   1.068  -6.954
  113   3HD2  LEU  34          3HD2      LEU  34   0.145   1.288  -5.890
  114    H    CYS  35           H        CYS  35  -3.379   3.365  -2.739
  115    HA   CYS  35           HA       CYS  35  -6.031   2.306  -3.537
  116   1HB   CYS  35          1HB       CYS  35  -5.093   4.616  -2.156
  117   2HB   CYS  35          2HB       CYS  35  -5.786   5.158  -3.682
  118    H    VAL  36           H        VAL  36  -5.670   1.644  -5.699
  119    HA   VAL  36           HA       VAL  36  -4.099   3.292  -7.508
  120    HB   VAL  36           HB       VAL  36  -5.684   0.760  -7.801
  121   1HG1  VAL  36          1HG1      VAL  36  -5.073   2.736  -9.915
  122   2HG1  VAL  36          2HG1      VAL  36  -4.532   1.094 -10.268
  123   3HG1  VAL  36          3HG1      VAL  36  -6.233   1.407  -9.920
  124   1HG2  VAL  36          1HG2      VAL  36  -2.912   1.632  -7.535
  125   2HG2  VAL  36          2HG2      VAL  36  -3.592   0.007  -7.381
  126   3HG2  VAL  36          3HG2      VAL  36  -3.134   0.622  -8.969
  127    H    THR  37           H        THR  37  -7.581   2.828  -6.919
  128    HA   THR  37           HA       THR  37  -8.362   4.523  -9.163
  129    HB   THR  37           HB       THR  37 -10.469   4.770  -7.509
  130    HG1  THR  37           HG1      THR  37  -9.160   3.671  -5.861
  131   1HG2  THR  37          1HG2      THR  37  -9.616   2.403  -9.170
  132   2HG2  THR  37          2HG2      THR  37 -11.196   2.450  -8.388
  133   3HG2  THR  37          3HG2      THR  37 -10.765   3.675  -9.581
  134    H    THR  38           H        THR  38  -7.459   4.977  -5.814
  135    HA   THR  38           HA       THR  38  -7.852   7.896  -6.181
  136    HB   THR  38           HB       THR  38  -7.140   6.326  -3.688
  137    HG1  THR  38           HG1      THR  38  -9.234   6.189  -3.651
  138   1HG2  THR  38          1HG2      THR  38  -6.781   9.071  -4.481
  139   2HG2  THR  38          2HG2      THR  38  -7.885   8.967  -3.105
  140   3HG2  THR  38          3HG2      THR  38  -6.265   8.272  -2.995
  141    H    THR  39           H        THR  39  -5.882   6.227  -7.524
  142    HA   THR  39           HA       THR  39  -3.244   6.563  -6.511
  143    HB   THR  39           HB       THR  39  -3.597   5.114  -8.435
  144    HG1  THR  39           HG1      THR  39  -2.046   6.028  -9.830
  145   1HG2  THR  39          1HG2      THR  39  -5.433   7.008  -9.213
  146   2HG2  THR  39          2HG2      THR  39  -4.116   7.288 -10.352
  147   3HG2  THR  39          3HG2      THR  39  -4.855   5.692 -10.236
  148    H    ASN  40           H        ASN  40  -5.559   8.687  -7.602
  149    HA   ASN  40           HA       ASN  40  -3.840  10.839  -8.538
  150   1HB   ASN  40          1HB       ASN  40  -6.373  10.126  -9.038
  151   2HB   ASN  40          2HB       ASN  40  -6.666  11.224  -7.687
  152   2HD2  ASN  40          2HD2      ASN  40  -6.140  11.136 -11.059
  153   1HD2  ASN  40          1HD2      ASN  40  -5.816  12.787 -11.294
  154    H    GLY  41           H        GLY  41  -3.154   9.956  -5.917
  155   1HA   GLY  41          1HA       GLY  41  -4.050  12.228  -4.204
  156   2HA   GLY  41          2HA       GLY  41  -2.367  11.695  -4.251
  157    H    TRP  42           H        TRP  42  -3.868  11.723  -1.837
  158    HA   TRP  42           HA       TRP  42  -3.602   8.913  -1.055
  159   1HB   TRP  42          1HB       TRP  42  -4.099  11.501   0.340
  160   2HB   TRP  42          2HB       TRP  42  -4.661  10.039   1.137
  161    HD1  TRP  42           HD1      TRP  42  -1.407  11.597  -0.245
  162    HE1  TRP  42           HE1      TRP  42   0.558  10.590   1.036
  163    HE3  TRP  42           HE3      TRP  42  -3.872   8.090   2.494
  164    HZ2  TRP  42           HZ2      TRP  42   1.041   8.539   2.998
  165    HZ3  TRP  42           HZ3      TRP  42  -2.655   6.622   4.057
  166    HH2  TRP  42           HH2      TRP  42  -0.197   6.830   4.315
  167    H    GLY  43           H        GLY  43  -5.310   7.517  -0.503
  168   1HA   GLY  43          1HA       GLY  43  -7.612   7.199  -1.741
  169   2HA   GLY  43          2HA       GLY  43  -8.079   8.583  -0.754
  170    H    TRP  44           H        TRP  44  -9.511   6.304  -0.409
  171    HA   TRP  44           HA       TRP  44  -8.373   4.946   1.990
  172   1HB   TRP  44          1HB       TRP  44  -9.918   6.882   2.608
  173   2HB   TRP  44          2HB       TRP  44 -11.219   5.959   1.884
  174    HD1  TRP  44           HD1      TRP  44 -11.926   3.706   3.071
  175    HE1  TRP  44           HE1      TRP  44 -11.579   2.847   5.467
  176    HE3  TRP  44           HE3      TRP  44  -8.287   6.882   4.610
  177    HZ2  TRP  44           HZ2      TRP  44 -10.012   3.404   7.705
  178    HZ3  TRP  44           HZ3      TRP  44  -7.362   6.705   6.916
  179    HH2  TRP  44           HH2      TRP  44  -8.220   4.965   8.473
  180    H    GLU  45           H        GLU  45  -8.941   2.765   2.090
  181    HA   GLU  45           HA       GLU  45 -11.245   1.599   0.890
  182   1HB   GLU  45          1HB       GLU  45  -9.466   2.384  -1.061
  183   2HB   GLU  45          2HB       GLU  45  -9.003   0.703  -0.794
  184   1HG   GLU  45          1HG       GLU  45 -11.722   0.484  -0.815
  185   2HG   GLU  45          2HG       GLU  45 -11.488   1.812  -1.952
  186    H    ASP  46           H        ASP  46 -11.063  -0.836   0.869
  187    HA   ASP  46           HA       ASP  46 -10.349  -2.850   1.860
  188   1HB   ASP  46          1HB       ASP  46  -8.053  -1.686   0.956
  189   2HB   ASP  46          2HB       ASP  46  -7.720  -1.792   2.683
  190    H    GLN  47           H        GLN  47 -11.500  -0.557   3.374
  191    HA   GLN  47           HA       GLN  47 -11.993  -0.025   5.600
  192   1HB   GLN  47          1HB       GLN  47 -12.007  -2.671   5.497
  193   2HB   GLN  47          2HB       GLN  47 -10.572  -2.496   6.507
  194   1HG   GLN  47          1HG       GLN  47 -11.888  -1.041   8.055
  195   2HG   GLN  47          2HG       GLN  47 -13.323  -1.354   7.078
  196   2HE2  GLN  47          2HE2      GLN  47 -10.901  -2.949   9.169
  197   1HE2  GLN  47          1HE2      GLN  47 -11.856  -4.309   9.511
  198    H    ARG  48           H        ARG  48  -9.191   0.354   4.298
  199    HA   ARG  48           HA       ARG  48  -7.952   1.448   6.748
  200   1HB   ARG  48          1HB       ARG  48  -6.804  -0.761   5.074
  201   2HB   ARG  48          2HB       ARG  48  -5.708   0.437   5.766
  202   1HG   ARG  48          1HG       ARG  48  -6.784  -0.003   8.008
  203   2HG   ARG  48          2HG       ARG  48  -7.650  -1.345   7.259
  204   1HD   ARG  48          1HD       ARG  48  -5.702  -2.317   8.228
  205   2HD   ARG  48          2HD       ARG  48  -5.361  -2.205   6.500
  206    HE   ARG  48           HE       ARG  48  -4.097  -0.061   7.092
  207   1HH1  ARG  48          1HH1      ARG  48  -3.745  -3.028   8.581
  208   2HH1  ARG  48          2HH1      ARG  48  -2.814  -2.452   9.923
  209   1HH2  ARG  48          1HH2      ARG  48  -3.305   0.897   9.170
  210   2HH2  ARG  48          2HH2      ARG  48  -2.565  -0.230  10.256
  211    H    SER  49           H        SER  49  -6.402   3.130   6.236
  212    HA   SER  49           HA       SER  49  -7.060   4.696   3.956
  213   1HB   SER  49          1HB       SER  49  -4.647   5.690   4.547
  214   2HB   SER  49          2HB       SER  49  -6.044   5.995   5.571
  215    HG   SER  49           HG       SER  49  -4.212   5.224   6.739
  216    H    CYS  50           H        CYS  50  -6.237   4.737   1.891
  217    HA   CYS  50           HA       CYS  50  -4.035   2.802   1.286
  218   1HB   CYS  50          1HB       CYS  50  -5.105   2.960  -1.103
  219   2HB   CYS  50          2HB       CYS  50  -5.871   1.940   0.115
  220    H    ILE  51           H        ILE  51  -2.393   3.530  -0.152
  221    HA   ILE  51           HA       ILE  51  -2.339   6.488  -0.487
  222    HB   ILE  51           HB       ILE  51  -0.224   4.411  -0.016
  223   1HG1  ILE  51          1HG1      ILE  51  -0.585   7.241   0.951
  224   2HG1  ILE  51          2HG1      ILE  51  -1.247   5.834   1.789
  225   1HG2  ILE  51          1HG2      ILE  51   0.231   7.144  -1.244
  226   2HG2  ILE  51          2HG2      ILE  51   1.492   6.051  -0.652
  227   3HG2  ILE  51          3HG2      ILE  51   0.509   5.595  -2.054
  228   1HD1  ILE  51          1HD1      ILE  51   1.412   5.144   1.313
  229   2HD1  ILE  51          2HD1      ILE  51   1.494   6.848   1.759
  230   3HD1  ILE  51          3HD1      ILE  51   0.749   5.685   2.855
  231    H    ALA  52           H        ALA  52  -2.370   7.305  -2.486
  232    HA   ALA  52           HA       ALA  52  -3.118   6.005  -4.768
  233   1HB   ALA  52          1HB       ALA  52  -3.073   8.194  -5.257
  234   2HB   ALA  52          2HB       ALA  52  -1.443   7.873  -5.854
  235   3HB   ALA  52          3HB       ALA  52  -1.680   8.503  -4.221
  236    H    ARG  53           H        ARG  53  -1.855   5.531  -6.811
  237    HA   ARG  53           HA       ARG  53  -0.054   3.418  -6.420
  238   1HB   ARG  53          1HB       ARG  53  -1.209   4.814  -8.631
  239   2HB   ARG  53          2HB       ARG  53   0.513   4.616  -8.946
  240   1HG   ARG  53          1HG       ARG  53   0.120   2.165  -8.158
  241   2HG   ARG  53          2HG       ARG  53  -1.578   2.516  -8.479
  242   1HD   ARG  53          1HD       ARG  53  -1.138   1.978 -10.630
  243   2HD   ARG  53          2HD       ARG  53  -0.281   3.517 -10.720
  244    HE   ARG  53           HE       ARG  53   1.792   2.204 -10.061
  245   1HH1  ARG  53          1HH1      ARG  53  -0.569  -0.076 -10.059
  246   2HH1  ARG  53          2HH1      ARG  53   0.118  -1.095 -11.279
  247   1HH2  ARG  53          1HH2      ARG  53   2.520   1.218 -12.233
  248   2HH2  ARG  53          2HH2      ARG  53   1.867  -0.363 -12.510
  249    H    SER  54           H        SER  54   1.106   6.319  -8.167
  250    HA   SER  54           HA       SER  54   3.758   5.707  -7.519
  251   1HB   SER  54          1HB       SER  54   4.030   8.324  -7.971
  252   2HB   SER  54          2HB       SER  54   3.650   7.213  -9.284
  253    HG   SER  54           HG       SER  54   1.848   8.795  -7.762
  254    H    THR  55           H        THR  55   1.538   8.067  -5.940
  255    HA   THR  55           HA       THR  55   3.318   9.015  -3.985
  256    HB   THR  55           HB       THR  55   0.416   8.297  -3.619
  257    HG1  THR  55           HG1      THR  55   0.916   9.896  -5.212
  258   1HG2  THR  55          1HG2      THR  55   2.209   8.765  -1.612
  259   2HG2  THR  55          2HG2      THR  55   1.652  10.406  -1.968
  260   3HG2  THR  55          3HG2      THR  55   0.489   9.161  -1.515
  261    H    CYS  56           H        CYS  56   1.810   5.940  -4.378
  262    HA   CYS  56           HA       CYS  56   2.439   4.924  -1.714
  263   1HB   CYS  56          1HB       CYS  56   0.584   3.910  -3.061
  264   2HB   CYS  56          2HB       CYS  56   1.691   3.483  -4.316
  265    H    ALA  57           H        ALA  57   3.443   3.608  -4.762
  266    HA   ALA  57           HA       ALA  57   5.955   2.765  -3.595
  267   1HB   ALA  57          1HB       ALA  57   4.782   2.285  -6.313
  268   2HB   ALA  57          2HB       ALA  57   4.284   1.394  -4.852
  269   3HB   ALA  57          3HB       ALA  57   5.960   1.278  -5.441
  270    H    ALA  58           H        ALA  58   4.896   4.839  -6.332
  271    HA   ALA  58           HA       ALA  58   7.328   5.262  -7.608
  272   1HB   ALA  58          1HB       ALA  58   6.557   7.547  -8.151
  273   2HB   ALA  58          2HB       ALA  58   5.302   7.411  -6.922
  274   3HB   ALA  58          3HB       ALA  58   5.260   6.370  -8.345
  275    H    GLN  59           H        GLN  59   6.434   6.251  -4.395
  276    HA   GLN  59           HA       GLN  59   8.122   8.362  -3.801
  277   1HB   GLN  59          1HB       GLN  59   7.454   5.875  -2.223
  278   2HB   GLN  59          2HB       GLN  59   8.446   7.165  -1.543
  279   1HG   GLN  59          1HG       GLN  59   6.342   8.569  -2.625
  280   2HG   GLN  59          2HG       GLN  59   5.554   7.100  -2.048
  281   2HE2  GLN  59          2HE2      GLN  59   6.876   6.456   0.257
  282   1HE2  GLN  59          1HE2      GLN  59   6.807   7.725   1.380
  283    HA   PRO  60           HA       PRO  60  12.248   6.970  -4.363
  284   1HB   PRO  60          1HB       PRO  60  13.519   8.370  -2.365
  285   2HB   PRO  60          2HB       PRO  60  12.936   9.112  -3.865
  286   1HG   PRO  60          1HG       PRO  60  11.776   9.267  -1.119
  287   2HG   PRO  60          2HG       PRO  60  11.665  10.429  -2.452
  288   1HD   PRO  60          1HD       PRO  60   9.640   8.622  -1.674
  289   2HD   PRO  60          2HD       PRO  60   9.701   9.515  -3.210
  290    H    ALA  61           H        ALA  61  14.122   5.889  -3.151
  291    HA   ALA  61           HA       ALA  61  13.065   3.801  -1.419
  292   1HB   ALA  61          1HB       ALA  61  15.261   4.044  -3.108
  293   2HB   ALA  61          2HB       ALA  61  14.947   2.696  -2.014
  294   3HB   ALA  61          3HB       ALA  61  15.980   4.028  -1.497
  295    HA   PRO  62           HA       PRO  62  14.100   2.396  -0.078
  296   1HB   PRO  62          1HB       PRO  62  13.252   1.567   2.402
  297   2HB   PRO  62          2HB       PRO  62  14.960   1.743   1.960
  298   1HG   PRO  62          1HG       PRO  62  13.280   3.495   3.692
  299   2HG   PRO  62          2HG       PRO  62  15.034   3.253   3.706
  300   1HD   PRO  62          1HD       PRO  62  13.668   5.466   2.578
  301   2HD   PRO  62          2HD       PRO  62  15.379   5.055   2.334
  302    H    PHE  63           H        PHE  63  11.977   4.821   0.384
  303    HA   PHE  63           HA       PHE  63   9.508   3.519   1.050
  304   1HB   PHE  63          1HB       PHE  63   9.522   5.787  -0.903
  305   2HB   PHE  63          2HB       PHE  63   8.481   5.525   0.494
  306    HD1  PHE  63           HD1      PHE  63  10.047   5.219   2.743
  307    HD2  PHE  63           HD2      PHE  63  10.910   7.655  -0.669
  308    HE1  PHE  63           HE1      PHE  63  11.492   6.658   4.144
  309    HE2  PHE  63           HE2      PHE  63  12.376   9.095   0.719
  310    HZ   PHE  63           HZ       PHE  63  12.672   8.595   3.132
  311    H    GLY  64           H        GLY  64   7.670   3.126  -0.651
  312   1HA   GLY  64          1HA       GLY  64   9.066   1.978  -3.086
  313   2HA   GLY  64          2HA       GLY  64   7.692   3.033  -3.309
  314    H    ILE  65           H        ILE  65   7.646   0.533  -4.455
  315    HA   ILE  65           HA       ILE  65   5.221  -0.541  -3.373
  316    HB   ILE  65           HB       ILE  65   6.990  -1.198  -5.658
  317   1HG1  ILE  65          1HG1      ILE  65   4.218  -1.707  -6.100
  318   2HG1  ILE  65          2HG1      ILE  65   4.336  -0.206  -5.191
  319   1HG2  ILE  65          1HG2      ILE  65   5.117  -3.262  -4.458
  320   2HG2  ILE  65          2HG2      ILE  65   5.831  -3.367  -6.068
  321   3HG2  ILE  65          3HG2      ILE  65   6.865  -3.415  -4.640
  322   1HD1  ILE  65          1HD1      ILE  65   6.298   0.241  -6.972
  323   2HD1  ILE  65          2HD1      ILE  65   5.336  -0.883  -7.933
  324   3HD1  ILE  65          3HD1      ILE  65   4.616   0.616  -7.344
  325    H    VAL  66           H        VAL  66   4.831  -2.158  -2.024
  326    HA   VAL  66           HA       VAL  66   7.103  -3.884  -1.144
  327    HB   VAL  66           HB       VAL  66   4.936  -3.214   0.797
  328   1HG1  VAL  66          1HG1      VAL  66   7.690  -4.238   0.765
  329   2HG1  VAL  66          2HG1      VAL  66   7.394  -3.053   2.038
  330   3HG1  VAL  66          3HG1      VAL  66   6.403  -4.508   1.941
  331   1HG2  VAL  66          1HG2      VAL  66   6.934  -1.276  -0.285
  332   2HG2  VAL  66          2HG2      VAL  66   5.312  -0.982   0.340
  333   3HG2  VAL  66          3HG2      VAL  66   6.648  -1.266   1.456
  334    H    GLY  67           H        GLY  67   6.236  -5.972  -0.184
  335   1HA   GLY  67          1HA       GLY  67   4.983  -7.774  -1.477
  336   2HA   GLY  67          2HA       GLY  67   3.601  -6.679  -1.418
  337    H    SER  68           H        SER  68   4.209  -9.455  -0.211
  338    HA   SER  68           HA       SER  68   3.164  -8.778   2.495
  339   1HB   SER  68          1HB       SER  68   2.445 -10.732   0.557
  340   2HB   SER  68          2HB       SER  68   3.112 -11.596   1.939
  341    HG   SER  68           HG       SER  68   0.734 -10.808   1.819
  342    H    GLY  69           H        GLY  69   4.838  -8.616   3.929
  343   1HA   GLY  69          1HA       GLY  69   6.722 -10.916   4.079
  344   2HA   GLY  69          2HA       GLY  69   6.376  -9.796   5.398

  No H/Q in entry =         344