*HEADER   HORMONE                                 10-OCT-96   1XGL    
*TITLE    HUMAN INSULIN DISULFIDE ISOMER, NMR, 10 STRUCTURES          
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: INSULIN;                                         
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 OTHER_DETAILS: DISULFIDE ISOMER WITH DISULFIDE BRIDGES AT  
*COMPND  6 A6-B7, A7-A11 AND A20-B19                                  
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI                        
*KEYWDS   HORMONE, GLUCOSE METABOLISM                                 
*EXPDTA   NMR, 10 STRUCTURES                                          
*AUTHOR   Q.X.HUA,S.N.GOZANI,R.E.CHANCE,J.A.HOFFMANN,B.H.FRANK,       
*AUTHOR  2 M.A.WEISS                                                  
*REVDAT  1   01-APR-97 1XGL    0                                      

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assign (resid 32 and name HB2) (resid 33 and name HN) 6.00 3.00 0.00
assign (resid 34 and name HB1) (resid 35 and name HN) 6.00 3.00 0.00
assign (resid 34 and name HB2) (resid 35 and name HN) 6.00 3.00 0.00
assign (resid 35 and name CB) (resid 36 and name HN) 4.40 1.40 0.00
assign (resid 36 and name HB1) (resid 37 and name HN) 6.00 3.00 0.00
assign (resid 36 and name HB2) (resid 37 and name HN) 6.00 3.00 0.00
assign (resid 37 and name HB1) (resid 38 and name HN) 4.40 1.40 0.00
assign (resid 37 and name HB2) (resid 38 and name HN) 4.40 1.40 0.00
assign (resid 38 and name HB1) (resid 39 and name HN) 4.40 1.40 0.00
assign (resid 38 and name HB2) (resid 39 and name HN) 4.40 1.40 0.00
assign (resid 40 and name HB1) (resid 41 and name HN) 6.00 3.00 0.00
assign (resid 40 and name HB2) (resid 41 and name HN) 6.00 3.00 0.00
assign (resid 42 and name HB1) (resid 43 and name HN) 6.00 3.00 0.00
assign (resid 42 and name HB2) (resid 43 and name HN) 6.00 3.00 0.00
assign (resid 43 and name HB1) (resid 44 and name HN) 6.00 3.00 0.00
assign (resid 43 and name HB2) (resid 44 and name HN) 6.00 3.00 0.00
assign (resid 45 and name HB1) (resid 46 and name HN) 5.10 2.10 0.00
assign (resid 45 and name HB2) (resid 46 and name HN) 5.10 2.10 0.00
assign (resid 46 and name HB1) (resid 47 and name HN) 6.00 3.00 0.00
assign (resid 46 and name HB2) (resid 47 and name HN) 6.00 3.00 0.00
assign (resid 47 and name HB1) (resid 48 and name HN) 5.10 2.10 0.00
assign (resid 47 and name HB2) (resid 48 and name HN) 5.10 2.10 0.00
assign (resid 49 and name HB1) (resid 50 and name HN) 6.00 3.00 0.00
assign (resid 49 and name HB2) (resid 50 and name HN) 6.00 3.00 0.00
assign (resid 50 and name HB1) (resid 51 and name HN) 4.40 1.40 0.00
assign (resid 50 and name HB2) (resid 51 and name HN) 4.40 1.40 0.00
assign (resid 25 and name HN) (resid 26 and name HN) 4.30 1.30 0.00
assign (resid 30 and name HN) (resid 31 and name HN) 4.30 1.30 0.00
assign (resid 45 and name HN) (resid 46 and name HN) 4.30 1.30 0.00
assign (resid 46 and name HN) (resid 47 and name HN) 4.30 1.30 0.00
assign (resid 30 and name HA) (resid 33 and name HN) 4.30 1.30 0.00
assign (resid 30 and name HA) (resid 33 and name CG1) 6.10 3.10 0.00
assign (resid 30 and name HA) (resid 33 and name CG2) 6.10 3.10 0.00
assign (resid 30 and name HB1) (resid 33 and name HN) 6.00 3.00 0.00
assign (resid 30 and name HB2) (resid 33 and name HN) 6.00 3.00 0.00
assign (resid 30 and name HB1) (resid 33 and name CG1) 8.70 5.70 0.00
assign (resid 30 and name HB2) (resid 33 and name CG1) 8.70 5.70 0.00
assign (resid 30 and name HB1) (resid 33 and name CG2) 8.70 5.70 0.00
assign (resid 30 and name HB2) (resid 33 and name CG2) 8.70 5.70 0.00
assign (resid 31 and name HA) (resid 34 and name HB1) 6.00 3.00 0.00
assign (resid 31 and name HA) (resid 34 and name HB2) 6.00 3.00 0.00
assign (resid 31 and name HA) (resid 34 and name HG1) 6.00 3.00 0.00
assign (resid 31 and name HA) (resid 34 and name HG2) 6.00 3.00 0.00
assign (resid 31 and name HA) (resid 34 and name HG2) 6.00 3.00 0.00
assign (resid 31 and name HN) (resid 34 and name HN) 4.30 1.30 0.00
assign (resid 32 and name HA) (resid 35 and name HN) 4.30 1.30 0.00
assign (resid 33 and name HA) (resid 36 and name HN) 4.30 1.30 0.00
assign (resid 33 and name HA) (resid 36 and name CD1) 7.00 4.00 0.00
assign (resid 33 and name HA) (resid 36 and name CD2) 7.00 4.00 0.00
assign (resid 33 and name HA) (resid 36 and name HB1) 6.00 3.00 0.00
assign (resid 33 and name HA) (resid 36 and name HB2) 6.00 3.00 0.00
assign (resid 34 and name HA) (resid 37 and name HN) 4.30 1.30 0.00
assign (resid 34 and name HA) (resid 37 and name CG) 4.80 1.80 0.00
assign (resid 34 and name HB1) (resid 37 and name CG) 8.10 5.10 0.00
assign (resid 34 and name HB2) (resid 37 and name CG) 8.10 5.10 0.00
assign (resid 34 and name HG1) (resid 37 and name CG) 8.10 5.10 0.00
assign (resid 34 and name HG2) (resid 37 and name CG) 8.10 5.10 0.00
assign (resid 34 and name HA) (resid 37 and name HB1) 5.10 2.10 0.00
assign (resid 34 and name HA) (resid 37 and name HB2) 5.10 2.10 0.00
assign (resid 35 and name CB) (resid 38 and name HN) 5.30 2.30 0.00
assign (resid 36 and name HA) (resid 39 and name CG1) 7.00 4.00 0.00
assign (resid 36 and name HA) (resid 39 and name CG2) 7.00 4.00 0.00
assign (resid 22 and name CZ) (resid 24 and name HA) 6.40 3.40 0.00
assign (resid 23 and name CG1) (resid 24 and name HN) 7.00 4.00 0.00
assign (resid 23 and name CG2) (resid 24 and name HN) 7.00 4.00 0.00
assign (resid 23 and name CG1) (resid 22 and name HA) 7.00 4.00 0.00
assign (resid 23 and name CG2) (resid 22 and name HA) 7.00 4.00 0.00
assign (resid 25 and name HA) (resid 26 and name HD2) 4.30 1.30 0.00
assign (resid 25 and name HA) (resid 26 and name HN) 4.30 1.30 0.00
assign (resid 27 and name CD1) (resid 28 and name HN) 7.00 4.00 0.00
assign (resid 27 and name CD2) (resid 28 and name HN) 7.00 4.00 0.00
assign (resid 27 and name HA) (resid 31 and name HB1) 6.00 3.00 0.00
assign (resid 27 and name HA) (resid 31 and name HB2) 6.00 3.00 0.00
assign (resid 27 and name HB1) (resid 31 and name HB1) 7.70 4.70 0.00
assign (resid 27 and name HB2) (resid 31 and name HB1) 7.70 4.70 0.00
assign (resid 27 and name HB1) (resid 31 and name HB2) 7.70 4.70 0.00
assign (resid 27 and name HB2) (resid 31 and name HB2) 7.70 4.70 0.00
assign (resid 27 and name HG) (resid 31 and name HB1) 6.00 3.00 0.00
assign (resid 27 and name HG) (resid 31 and name HB2) 6.00 3.00 0.00
assign (resid 27 and name HB2) (resid 32 and name HA) 6.00 3.00 0.00
assign (resid 27 and name CD1) (resid 32 and name HA) 7.00 4.00 0.00
assign (resid 27 and name CD2) (resid 32 and name HA) 7.00 4.00 0.00
assign (resid 27 and name HB1) (resid 32 and name CD1) 8.70 5.70 0.00
assign (resid 27 and name HB2) (resid 32 and name CD1) 8.70 5.70 0.00
assign (resid 27 and name HB1) (resid 32 and name CD2) 8.70 5.70 0.00
assign (resid 27 and name HB2) (resid 32 and name CD2) 8.70 5.70 0.00
assign (resid 28 and name HN) (resid 31 and name HB1) 6.00 3.00 0.00
assign (resid 28 and name HN) (resid 31 and name HB2) 6.00 3.00 0.00
assign (resid 28 and name HA) (resid 32 and name CD1) 7.00 4.00 0.00
assign (resid 28 and name HA) (resid 32 and name CD2) 7.00 4.00 0.00
assign (resid 29 and name HA1) (resid 31 and name HN) 6.00 3.00 0.00
assign (resid 29 and name HA2) (resid 31 and name HN) 6.00 3.00 0.00
assign (resid 30 and name HB1) (resid 31 and name HD2) 6.00 3.00 0.00
assign (resid 30 and name HB2) (resid 31 and name HD2) 6.00 3.00 0.00
assign (resid 32 and name CD1) (resid 33 and name HN) 7.00 4.00 0.00
assign (resid 32 and name CD2) (resid 33 and name HN) 7.00 4.00 0.00
assign (resid 33 and name CG1) (resid 37 and name HN) 7.00 4.00 0.00
assign (resid 33 and name CG2) (resid 37 and name HN) 7.00 4.00 0.00
assign (resid 33 and name CG1) (resid 34 and name HN) 5.40 2.40 0.00
assign (resid 33 and name CG2) (resid 34 and name HN) 5.40 2.40 0.00
assign (resid 33 and name CG1) (resid 37 and name CZ) 5.40 2.40 0.00
assign (resid 33 and name CG2) (resid 37 and name CZ) 5.40 2.40 0.00
assign (resid 33 and name CG1) (resid 37 and name CG) 6.10 3.10 0.00
assign (resid 33 and name CG2) (resid 37 and name CG) 6.10 3.10 0.00
assign (resid 33 and name CG1) (resid 34 and name HG1) 8.70 5.70 0.00
assign (resid 33 and name CG2) (resid 34 and name HG1) 8.70 5.70 0.00
assign (resid 33 and name CG1) (resid 34 and name HG2) 8.70 5.70 0.00
assign (resid 33 and name CG2) (resid 34 and name HG2) 8.70 5.70 0.00
assign (resid 33 and name CG1) (resid 37 and name HB1) 8.70 5.70 0.00
assign (resid 33 and name CG2) (resid 37 and name HB1) 8.70 5.70 0.00
assign (resid 33 and name CG1) (resid 45 and name CZ) 7.50 4.50 0.00
assign (resid 33 and name HA) (resid 45 and name CZ) 6.40 3.40 0.00
assign (resid 33 and name CG1) (resid 47 and name CG) 8.20 5.20 0.00
assign (resid 33 and name CG2) (resid 47 and name CG) 8.20 5.20 0.00
assign (resid 33 and name CG1) (resid 47 and name CZ) 8.20 5.20 0.00
assign (resid 33 and name CG2) (resid 47 and name CZ) 8.20 5.20 0.00
assign (resid 34 and name HN) (resid 35 and name CB) 5.30 2.30 0.00
assign (resid 35 and name CB) (resid 39 and name CG1) 8.00 5.00 0.00
assign (resid 35 and name CB) (resid 39 and name CG2) 8.00 5.00 0.00
assign (resid 36 and name CD1) (resid 37 and name HN) 7.00 4.00 0.00
assign (resid 36 and name CD2) (resid 37 and name HN) 7.00 4.00 0.00
assign (resid 36 and name HN) (resid 37 and name HB1) 6.00 3.00 0.00
assign (resid 36 and name HN) (resid 37 and name HB2) 6.00 3.00 0.00
assign (resid 36 and name HA) (resid 40 and name HN) 4.30 1.30 0.00
assign (resid 36 and name HB1) (resid 45 and name CG) 8.10 5.10 0.00
assign (resid 36 and name HB2) (resid 45 and name CG) 8.10 5.10 0.00
assign (resid 36 and name HB1) (resid 45 and name CZ) 8.10 5.10 0.00
assign (resid 36 and name HB2) (resid 45 and name CZ) 8.10 5.10 0.00
assign (resid 36 and name CD1) (resid 47 and name CG) 9.10 6.10 0.00
assign (resid 36 and name CD2) (resid 47 and name CG) 9.10 6.10 0.00
assign (resid 36 and name CD1) (resid 45 and name CZ) 8.20 5.20 0.00
assign (resid 36 and name CD2) (resid 45 and name CZ) 8.20 5.20 0.00
assign (resid 36 and name CD1) (resid 45 and name CG) 8.20 5.20 0.00
assign (resid 36 and name CD2) (resid 45 and name CG) 8.20 5.20 0.00
assign (resid 36 and name CD1) (resid 45 and name HB1) 8.70 5.70 0.00
assign (resid 36 and name CD2) (resid 45 and name HB1) 8.70 5.70 0.00
assign (resid 36 and name CD1) (resid 45 and name HB2) 8.70 5.70 0.00
assign (resid 36 and name CD2) (resid 45 and name HB2) 8.70 5.70 0.00
assign (resid 36 and name CD1) (resid 47 and name CZ) 9.10 6.10 0.00
assign (resid 36 and name CD2) (resid 47 and name CZ) 9.10 6.10 0.00
assign (resid 37 and name HA) (resid 45 and name CZ) 4.80 1.80 0.00
assign (resid 37 and name HA) (resid 45 and name CG) 5.50 2.50 0.00
assign (resid 37 and name CG) (resid 38 and name HN) 6.40 3.40 0.00
assign (resid 37 and name CG) (resid 38 and name HB1) 8.10 5.10 0.00
assign (resid 37 and name CG) (resid 38 and name HB2) 8.10 5.10 0.00
assign (resid 37 and name HB1) (resid 39 and name CG2) 8.70 5.70 0.00
assign (resid 37 and name HB2) (resid 39 and name CG2) 8.70 5.70 0.00
assign (resid 38 and name CD1) (resid 39 and name CG1) 8.80 5.80 0.00
assign (resid 38 and name CD2) (resid 39 and name CG1) 8.80 5.80 0.00
assign (resid 38 and name CD1) (resid 39 and name CG2) 8.80 5.80 0.00
assign (resid 38 and name CD2) (resid 39 and name CG2) 8.80 5.80 0.00
assign (resid 38 and name CD1) (resid 39 and name HN) 6.10 3.10 0.00
assign (resid 38 and name CD2) (resid 39 and name HN) 6.10 3.10 0.00
assign (resid 38 and name HN) (resid 39 and name CG1) 7.00 4.00 0.00
assign (resid 38 and name HN) (resid 39 and name CG2) 7.00 4.00 0.00
assign (resid 39 and name CG1) (resid 40 and name HN) 6.10 3.10 0.00
assign (resid 39 and name CG2) (resid 40 and name HN) 6.10 3.10 0.00
assign (resid 39 and name CG1) (resid 40 and name HA) 7.00 4.00 0.00
assign (resid 39 and name CG2) (resid 40 and name HA) 7.00 4.00 0.00
assign (resid 40 and name HA) (resid 43 and name HB1) 5.10 2.10 0.00
assign (resid 40 and name HA) (resid 43 and name HB2) 5.10 2.10 0.00
assign (resid 41 and name HA1) (resid 43 and name HN) 5.10 2.10 0.00
assign (resid 41 and name HA2) (resid 43 and name HN) 5.10 2.10 0.00
assign (resid 43 and name HD1) (resid 44 and name HN) 6.00 3.00 0.00
assign (resid 43 and name HD2) (resid 44 and name HN) 6.00 3.00 0.00
assign (resid 44 and name HA1) (resid 45 and name CG) 8.10 5.10 0.00
assign (resid 44 and name HA2) (resid 45 and name CG) 8.10 5.10 0.00
assign (resid 45 and name CG) (resid 46 and name HN) 6.40 3.40 0.00
assign (resid 45 and name HB1) (resid 46 and name CG) 6.50 3.50 0.00
assign (resid 45 and name CG) (resid 46 and name HA) 6.40 3.40 0.00
assign (resid 46 and name CG) (resid 47 and name HN) 6.40 3.40 0.00
assign (resid 46 and name CG) (resid 48 and name CG2) 7.40 4.40 0.00
assign (resid 47 and name CG) (resid 49 and name HA) 6.40 3.40 0.00
assign (resid 47 and name CZ) (resid 49 and name HA) 6.40 3.40 0.00
assign (resid 47 and name CG) (resid 49 and name HD1) 8.10 5.10 0.00
assign (resid 47 and name CG) (resid 49 and name HD2) 8.10 5.10 0.00
assign (resid 47 and name CZ) (resid 49 and name HD1) 8.10 5.10 0.00
assign (resid 47 and name CZ) (resid 49 and name HD2) 8.10 5.10 0.00
assign (resid 47 and name CZ) (resid 49 and name HB1) 8.10 5.10 0.00
assign (resid 47 and name CZ) (resid 49 and name HB2) 8.10 5.10 0.00
assign (resid 47 and name CZ) (resid 49 and name HG1) 8.10 5.10 0.00
assign (resid 47 and name CZ) (resid 49 and name HG2) 8.10 5.10 0.00
assign (resid 47 and name CG) (resid 48 and name HA) 6.40 3.40 0.00
assign (resid 48 and name HA) (resid 49 and name HB1) 6.00 3.00 0.00
assign (resid 48 and name HA) (resid 49 and name HB2) 6.00 3.00 0.00
assign (resid 48 and name CG2) (resid 49 and name HD1) 7.00 4.00 0.00
assign (resid 48 and name CG2) (resid 49 and name HD2) 7.00 4.00 0.00
assign (resid 48 and name HA) (resid 49 and name HB1) 6.00 3.00 0.00
assign (resid 48 and name HA) (resid 49 and name HB2) 6.00 3.00 0.00
assign (resid 48 and name HA) (resid 49 and name HD1) 4.40 1.40 0.00
assign (resid 48 and name HA) (resid 49 and name HD2) 4.40 1.40 0.00
assign (resid 48 and name HB) (resid 49 and name HD1) 6.00 3.00 0.00
assign (resid 48 and name HB) (resid 49 and name HD2) 6.00 3.00 0.00
assign (resid 6 and name HA) (resid 32 and name CD1) 6.10 3.10 0.00
assign (resid 6 and name HA) (resid 32 and name CD2) 6.10 3.10 0.00
assign (resid 7 and name HA) (resid 32 and name CD1) 7.00 4.00 0.00
assign (resid 7 and name HA) (resid 32 and name CD2) 7.00 4.00 0.00
assign (resid 7 and name HN) (resid 32 and name CD1) 7.00 4.00 0.00
assign (resid 7 and name HN) (resid 32 and name CD2) 7.00 4.00 0.00
assign (resid 7 and name HB1) (resid 27 and name HA) 6.00 3.00 0.00
assign (resid 11 and name HB1) (resid 27 and name CD1) 7.80 4.80 0.00
assign (resid 11 and name HB2) (resid 27 and name CD1) 7.80 4.80 0.00
assign (resid 11 and name HB1) (resid 27 and name CD2) 7.80 4.80 0.00
assign (resid 11 and name HB2) (resid 27 and name CD2) 7.80 4.80 0.00
assign (resid 13 and name CD1) (resid 22 and name HA) 7.00 4.00 0.00
assign (resid 13 and name CD2) (resid 22 and name HA) 7.00 4.00 0.00
assign (resid 16 and name HA) (resid 36 and name CD1) 7.00 4.00 0.00
assign (resid 16 and name HA) (resid 36 and name CD2) 7.00 4.00 0.00
assign (resid 17 and name HB1) (resid 39 and name CG1) 8.70 5.70 0.00
assign (resid 17 and name HB2) (resid 39 and name CG1) 8.70 5.70 0.00
assign (resid 17 and name HG1) (resid 39 and name CG1) 8.70 5.70 0.00
assign (resid 17 and name HG2) (resid 39 and name CG1) 8.70 5.70 0.00
assign (resid 17 and name HG1) (resid 39 and name CG2) 8.70 5.70 0.00
assign (resid 17 and name HG2) (resid 39 and name CG2) 8.70 5.70 0.00
assign (resid 19 and name HB1) (resid 36 and name CD1) 8.70 5.70 0.00
assign (resid 19 and name HB2) (resid 36 and name CD1) 8.70 5.70 0.00
assign (resid 19 and name HB1) (resid 36 and name CD2) 8.70 5.70 0.00
assign (resid 19 and name HB2) (resid 36 and name CD2) 8.70 5.70 0.00
assign (resid 19 and name CZ) (resid 36 and name HB1) 6.20 3.20 0.00
assign (resid 19 and name CZ) (resid 36 and name HB2) 6.20 3.20 0.00
assign (resid 19 and name CZ) (resid 36 and name CD1) 8.20 5.20 0.00
assign (resid 19 and name CZ) (resid 36 and name CD2) 8.20 5.20 0.00
assign (resid 19 and name CG) (resid 36 and name HB1) 6.50 3.50 0.00
assign (resid 19 and name CG) (resid 36 and name HB2) 6.50 3.50 0.00
assign (resid 19 and name CG) (resid 36 and name CD1) 7.50 4.50 0.00
assign (resid 19 and name CG) (resid 36 and name CD2) 7.50 4.50 0.00
assign (resid 19 and name HN) (resid 36 and name CD2) 7.00 4.00 0.00
assign (resid 19 and name HB1) (resid 45 and name CG) 8.10 5.10 0.00
assign (resid 19 and name HB2) (resid 45 and name CG) 8.10 5.10 0.00
assign (resid 19 and name CG) (resid 45 and name HB1) 7.20 4.20 0.00
assign (resid 19 and name CG) (resid 45 and name HB2) 7.20 4.20 0.00
assign (resid 20 and name HB1) (resid 43 and name HB1) 7.70 4.70 0.00
assign (resid 20 and name HB2) (resid 43 and name HB1) 7.70 4.70 0.00
assign (resid 20 and name HB1) (resid 43 and name HB2) 7.70 4.70 0.00
assign (resid 20 and name HB2) (resid 43 and name HB2) 7.70 4.70 0.00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  -9.423  -6.561   1.639
    2   2H    GLY   1          3H        GLY   1  -9.173  -7.435   0.207
    3   3H    GLY   1          2H        GLY   1  -8.325  -7.857   1.618
    4   1HA   GLY   1          2HA       GLY   1  -6.691  -6.520   1.092
    5   2HA   GLY   1          1HA       GLY   1  -7.549  -6.065  -0.373
    6    H    ILE   2           H        ILE   2  -6.183  -4.102   0.387
    7    HA   ILE   2           HA       ILE   2  -7.878  -2.305   2.072
    8    HB   ILE   2           HB       ILE   2  -6.182  -2.091   3.340
    9   1HG1  ILE   2          2HG1      ILE   2  -3.838  -1.011   2.304
   10   2HG1  ILE   2          1HG1      ILE   2  -5.094  -0.295   1.357
   11   1HG2  ILE   2          1HG2      ILE   2  -4.346  -3.483   1.315
   12   2HG2  ILE   2          3HG2      ILE   2  -3.836  -3.124   2.955
   13   3HG2  ILE   2          2HG2      ILE   2  -5.150  -4.253   2.675
   14   1HD1  ILE   2          1HD       ILE   2  -4.934  -0.402   4.425
   15   2HD1  ILE   2          3HD       ILE   2  -4.621   1.028   3.427
   16   3HD1  ILE   2          2HD       ILE   2  -6.237   0.362   3.524
   17    H    VAL   3           H        VAL   3  -7.468  -0.099   1.733
   18    HA   VAL   3           HA       VAL   3  -7.556   0.628  -1.193
   19    HB   VAL   3           HB       VAL   3  -8.928   2.627  -0.523
   20   1HG1  VAL   3          2HG1      VAL   3 -10.106   0.583  -1.199
   21   2HG1  VAL   3          1HG1      VAL   3 -10.087  -0.002   0.466
   22   3HG1  VAL   3          3HG1      VAL   3 -10.994   1.455   0.041
   23   1HG2  VAL   3          2HG2      VAL   3  -8.871   1.353   2.256
   24   2HG2  VAL   3          1HG2      VAL   3  -8.099   2.866   1.838
   25   3HG2  VAL   3          3HG2      VAL   3  -9.841   2.737   1.815
   26    H    GLU   4           H        GLU   4  -7.227   2.957  -1.552
   27    HA   GLU   4           HA       GLU   4  -5.897   4.956  -0.552
   28   1HB   GLU   4          1HB       GLU   4  -4.137   3.979   0.597
   29   2HB   GLU   4          2HB       GLU   4  -3.729   2.745  -0.517
   30   1HG   GLU   4          2HG       GLU   4  -1.957   4.384  -0.567
   31   2HG   GLU   4          1HG       GLU   4  -2.813   4.781  -2.023
   32    H    GLN   5           H        GLN   5  -4.752   2.859  -3.184
   33    HA   GLN   5           HA       GLN   5  -4.030   3.395  -5.328
   34   1HB   GLN   5          1HB       GLN   5  -6.375   2.982  -5.439
   35   2HB   GLN   5          2HB       GLN   5  -6.796   4.601  -4.940
   36   1HG   GLN   5          2HG       GLN   5  -7.311   4.226  -7.301
   37   2HG   GLN   5          1HG       GLN   5  -6.058   5.428  -7.226
   38   1HE2  GLN   5          1HE2      GLN   5  -5.434   1.934  -9.170
   39   2HE2  GLN   5          2HE2      GLN   5  -6.944   2.352  -8.506
   40    H    CYS   6           H        CYS   6  -4.318   5.357  -7.035
   41    HA   CYS   6           HA       CYS   6  -2.477   6.905  -7.434
   42   1HB   CYS   6          1HB       CYS   6  -5.320   7.682  -7.612
   43   2HB   CYS   6          2HB       CYS   6  -4.122   8.857  -8.086
   44    H    CYS   7           H        CYS   7  -4.267   7.992  -4.699
   45    HA   CYS   7           HA       CYS   7  -2.985   9.241  -2.975
   46   1HB   CYS   7          1HB       CYS   7  -1.315  10.273  -4.738
   47   2HB   CYS   7          2HB       CYS   7  -2.629  11.250  -5.355
   48    H    THR   8           H        THR   8  -4.974   8.589  -2.744
   49    HA   THR   8           HA       THR   8  -7.103  10.581  -3.293
   50    HB   THR   8           HB       THR   8  -7.325   7.504  -2.971
   51    HG1  THR   8           HG1      THR   8  -6.219   8.250  -4.813
   52   1HG2  THR   8          1HG2      THR   8  -9.224   9.607  -4.068
   53   2HG2  THR   8          3HG2      THR   8  -9.536   7.885  -3.889
   54   3HG2  THR   8          2HG2      THR   8  -9.423   8.915  -2.467
   55    H    SER   9           H        SER   9  -5.499   8.571  -0.893
   56    HA   SER   9           HA       SER   9  -7.110   9.942   1.213
   57   1HB   SER   9          2HB       SER   9  -6.760   7.846   2.588
   58   2HB   SER   9          1HB       SER   9  -7.671   7.555   1.110
   59    HG   SER   9           HG       SER   9  -5.212   6.657   1.796
   60    H    ILE  10           H        ILE  10  -4.149   8.108   1.220
   61    HA   ILE  10           HA       ILE  10  -2.674  10.425   2.382
   62    HB   ILE  10           HB       ILE  10  -2.655   7.606   3.617
   63   1HG1  ILE  10          2HG1      ILE  10  -4.111  10.145   4.574
   64   2HG1  ILE  10          1HG1      ILE  10  -4.906   8.744   3.892
   65   1HG2  ILE  10          1HG2      ILE  10  -1.587  10.265   4.673
   66   2HG2  ILE  10          3HG2      ILE  10  -1.579   8.746   5.550
   67   3HG2  ILE  10          2HG2      ILE  10  -0.582   8.924   4.145
   68   1HD1  ILE  10          2HD       ILE  10  -4.193   7.344   5.743
   69   2HD1  ILE  10          1HD       ILE  10  -3.390   8.708   6.509
   70   3HD1  ILE  10          3HD       ILE  10  -5.126   8.728   6.286
   71    H    CYS  11           H        CYS  11  -2.640   9.062  -0.207
   72    HA   CYS  11           HA       CYS  11  -1.104   7.621  -1.517
   73   1HB   CYS  11          1HB       CYS  11   0.519  10.035  -1.701
   74   2HB   CYS  11          2HB       CYS  11  -0.567   9.334  -2.850
   75    H    SER  12           H        SER  12  -0.288   6.289   0.238
   76    HA   SER  12           HA       SER  12   2.497   6.900   1.019
   77   1HB   SER  12          2HB       SER  12   1.732   5.224   2.994
   78   2HB   SER  12          1HB       SER  12   1.192   6.898   2.985
   79    HG   SER  12           HG       SER  12  -0.731   6.243   2.105
   80    H    LEU  13           H        LEU  13   3.949   5.472   1.076
   81    HA   LEU  13           HA       LEU  13   3.909   3.193  -0.810
   82   1HB   LEU  13          1HB       LEU  13   6.216   4.716   0.454
   83   2HB   LEU  13          2HB       LEU  13   6.431   3.262  -0.479
   84    HG   LEU  13           HG       LEU  13   5.624   4.272  -2.494
   85   1HD1  LEU  13          1HD1      LEU  13   4.853   6.694  -0.791
   86   2HD1  LEU  13          3HD1      LEU  13   4.809   6.640  -2.548
   87   3HD1  LEU  13          2HD1      LEU  13   3.746   5.619  -1.633
   88   1HD2  LEU  13          1HD2      LEU  13   7.956   4.834  -1.850
   89   2HD2  LEU  13          3HD2      LEU  13   7.224   6.168  -2.733
   90   3HD2  LEU  13          2HD2      LEU  13   7.380   6.264  -0.987
   91    H    TYR  14           H        TYR  14   4.235   4.047   2.510
   92    HA   TYR  14           HA       TYR  14   5.308   1.555   3.517
   93   1HB   TYR  14          1HB       TYR  14   5.550   3.770   4.680
   94   2HB   TYR  14          2HB       TYR  14   3.830   3.838   4.996
   95    HD1  TYR  14           HD1      TYR  14   2.817   1.745   6.265
   96    HD2  TYR  14           HD2      TYR  14   6.969   2.685   6.199
   97    HE1  TYR  14           HE1      TYR  14   3.157   0.336   8.204
   98    HE2  TYR  14           HE2      TYR  14   7.312   1.256   8.184
   99    HH   TYR  14           HH       TYR  14   6.338  -0.099   9.693
  100    H    GLN  15           H        GLN  15   2.341   2.927   2.612
  101    HA   GLN  15           HA       GLN  15   0.551   1.031   3.883
  102   1HB   GLN  15          1HB       GLN  15  -0.027   3.340   3.575
  103   2HB   GLN  15          2HB       GLN  15   0.364   3.310   1.878
  104   1HG   GLN  15          2HG       GLN  15  -1.980   1.860   3.137
  105   2HG   GLN  15          1HG       GLN  15  -2.064   3.424   2.348
  106   1HE2  GLN  15          1HE2      GLN  15  -2.783   0.479  -0.021
  107   2HE2  GLN  15          2HE2      GLN  15  -3.271   0.735   1.582
  108    H    LEU  16           H        LEU  16   2.338   1.355   0.868
  109    HA   LEU  16           HA       LEU  16   0.773  -0.648  -0.534
  110   1HB   LEU  16          1HB       LEU  16   3.618   0.239  -1.182
  111   2HB   LEU  16          2HB       LEU  16   2.524  -0.635  -2.235
  112    HG   LEU  16           HG       LEU  16   2.002   2.180  -1.238
  113   1HD1  LEU  16          2HD1      LEU  16   3.977   2.051  -2.781
  114   2HD1  LEU  16          1HD1      LEU  16   2.995   1.161  -3.935
  115   3HD1  LEU  16          3HD1      LEU  16   2.633   2.835  -3.584
  116   1HD2  LEU  16          1HD2      LEU  16  -0.090   0.947  -1.891
  117   2HD2  LEU  16          3HD2      LEU  16   0.270   2.254  -3.011
  118   3HD2  LEU  16          2HD2      LEU  16   0.629   0.594  -3.445
  119    H    GLU  17           H        GLU  17   3.398  -0.498   1.713
  120    HA   GLU  17           HA       GLU  17   4.524  -3.093   1.221
  121   1HB   GLU  17          1HB       GLU  17   4.665  -1.121   3.605
  122   2HB   GLU  17          2HB       GLU  17   5.546  -2.626   3.639
  123   1HG   GLU  17          2HG       GLU  17   6.912  -1.936   1.824
  124   2HG   GLU  17          1HG       GLU  17   5.766  -0.743   1.250
  125    H    ASN  18           H        ASN  18   1.889  -1.925   3.082
  126    HA   ASN  18           HA       ASN  18   1.319  -4.046   4.815
  127   1HB   ASN  18          1HB       ASN  18   0.166  -1.842   4.858
  128   2HB   ASN  18          2HB       ASN  18  -0.593  -2.210   3.319
  129   1HD2  ASN  18          1HD2      ASN  18  -2.401  -3.415   6.667
  130   2HD2  ASN  18          2HD2      ASN  18  -1.091  -2.338   6.675
  131    H    TYR  19           H        TYR  19   0.996  -3.917   1.436
  132    HA   TYR  19           HA       TYR  19  -1.005  -5.828   0.904
  133   1HB   TYR  19          1HB       TYR  19   1.416  -4.903  -0.727
  134   2HB   TYR  19          2HB       TYR  19   0.239  -6.032  -1.341
  135    HD1  TYR  19           HD1      TYR  19   0.042  -2.751   0.661
  136    HD2  TYR  19           HD2      TYR  19  -1.342  -5.055  -2.658
  137    HE1  TYR  19           HE1      TYR  19  -1.412  -0.959   0.027
  138    HE2  TYR  19           HE2      TYR  19  -2.816  -3.212  -3.279
  139    HH   TYR  19           HH       TYR  19  -2.467  -0.105  -1.990
  140    H    CYS  20           H        CYS  20   2.431  -6.461   1.547
  141    HA   CYS  20           HA       CYS  20   1.823  -9.390   1.551
  142   1HB   CYS  20          1HB       CYS  20   3.936  -7.912   0.212
  143   2HB   CYS  20          2HB       CYS  20   4.241  -9.562   0.757
  144    H    ASN  21           H        ASN  21   3.530  -6.680   2.944
  145    HA   ASN  21           HA       ASN  21   4.454  -8.363   5.219
  146   1HB   ASN  21          1HB       ASN  21   5.669  -5.865   3.978
  147   2HB   ASN  21          2HB       ASN  21   6.300  -6.664   5.420
  148   1HD2  ASN  21          1HD2      ASN  21   6.965  -8.212   1.688
  149   2HD2  ASN  21          2HD2      ASN  21   5.891  -6.923   1.921
  150   1H    PHE   1          1H        PHE  22   4.936   8.708   3.491
  151   2H    PHE   1          3H        PHE  22   3.619   8.641   4.569
  152   3H    PHE   1          2H        PHE  22   3.651   7.622   3.218
  153    HA   PHE   1           HA       PHE  22   2.602   9.087   2.022
  154   1HB   PHE   1          2HB       PHE  22   1.767   9.826   4.349
  155   2HB   PHE   1          1HB       PHE  22   2.947  11.117   4.261
  156    HD1  PHE   1           HD2      PHE  22   1.706  10.590   0.915
  157    HD2  PHE   1           HD1      PHE  22   0.603  12.308   4.679
  158    HE1  PHE   1           HE2      PHE  22   0.049  11.943  -0.180
  159    HE2  PHE   1           HE1      PHE  22  -1.072  13.667   3.524
  160    HZ   PHE   1           HZ       PHE  22  -1.347  13.493   1.100
  161    H    VAL   2           H        VAL  23   3.342  10.164   0.349
  162    HA   VAL   2           HA       VAL  23   5.767  11.895   0.604
  163    HB   VAL   2           HB       VAL  23   6.285  11.089  -1.766
  164   1HG1  VAL   2          1HG1      VAL  23   6.078   8.974   0.448
  165   2HG1  VAL   2          3HG1      VAL  23   7.138   8.877  -0.956
  166   3HG1  VAL   2          2HG1      VAL  23   7.405  10.102   0.271
  167   1HG2  VAL   2          1HG2      VAL  23   3.949  10.253  -2.305
  168   2HG2  VAL   2          3HG2      VAL  23   5.158   9.000  -2.475
  169   3HG2  VAL   2          2HG2      VAL  23   4.129   9.029  -1.058
  170    H    ASN   3           H        ASN  24   6.034  13.320  -1.371
  171    HA   ASN   3           HA       ASN  24   3.431  14.579  -2.158
  172   1HB   ASN   3          1HB       ASN  24   4.736  16.773  -2.058
  173   2HB   ASN   3          2HB       ASN  24   4.585  15.998  -0.489
  174   1HD2  ASN   3          1HD2      ASN  24   8.054  15.319  -0.166
  175   2HD2  ASN   3          2HD2      ASN  24   6.489  14.989   0.418
  176    H    GLN   4           H        GLN  25   4.006  12.798  -3.898
  177    HA   GLN   4           HA       GLN  25   5.508  14.161  -6.036
  178   1HB   GLN   4          1HB       GLN  25   6.720  12.248  -4.944
  179   2HB   GLN   4          2HB       GLN  25   5.389  11.190  -5.318
  180   1HG   GLN   4          2HG       GLN  25   5.902  11.161  -7.680
  181   2HG   GLN   4          1HG       GLN  25   6.946  12.581  -7.515
  182   1HE2  GLN   4          1HE2      GLN  25   9.615  10.288  -7.426
  183   2HE2  GLN   4          2HE2      GLN  25   8.834  11.557  -8.237
  184    H    HIS   5           H        HIS  26   4.799  12.386  -8.165
  185    HA   HIS   5           HA       HIS  26   1.864  12.746  -8.436
  186   1HB   HIS   5          1HB       HIS  26   4.134  12.627 -10.488
  187   2HB   HIS   5          2HB       HIS  26   2.442  12.834 -10.903
  188    HD1  HIS   5           HD1      HIS  26   1.406  15.153  -9.952
  189    HD2  HIS   5           HD2      HIS  26   5.487  14.948  -9.809
  190    HE1  HIS   5           HE1      HIS  26   2.204  17.454  -9.622
  191    H    LEU   6           H        LEU  27   2.195  10.632  -7.012
  192    HA   LEU   6           HA       LEU  27   2.869   8.233  -8.600
  193   1HB   LEU   6          1HB       LEU  27   1.931   8.471  -5.732
  194   2HB   LEU   6          2HB       LEU  27   2.504   7.006  -6.481
  195    HG   LEU   6           HG       LEU  27   4.122   9.529  -5.931
  196   1HD1  LEU   6          2HD1      LEU  27   3.665   8.086  -3.970
  197   2HD1  LEU   6          1HD1      LEU  27   4.282   6.693  -4.849
  198   3HD1  LEU   6          3HD1      LEU  27   5.371   7.982  -4.415
  199   1HD2  LEU   6          2HD2      LEU  27   5.028   6.927  -7.236
  200   2HD2  LEU   6          1HD2      LEU  27   4.911   8.472  -8.062
  201   3HD2  LEU   6          3HD2      LEU  27   6.084   8.252  -6.778
  202    H    CYS   7           H        CYS  28   1.105   8.253 -10.143
  203    HA   CYS   7           HA       CYS  28  -1.442   7.324  -8.883
  204   1HB   CYS   7          1HB       CYS  28  -1.627   9.551  -9.794
  205   2HB   CYS   7          2HB       CYS  28  -1.186   8.971 -11.378
  206    H    GLY   8           H        GLY  29  -0.225   5.260  -9.140
  207   1HA   GLY   8          1HA       GLY  29  -0.948   3.155  -9.950
  208   2HA   GLY   8          2HA       GLY  29  -1.352   3.786 -11.483
  209    H    SER   9           H        SER  30   1.101   4.676 -12.625
  210    HA   SER   9           HA       SER  30   2.629   2.586 -13.239
  211   1HB   SER   9          2HB       SER  30   4.376   4.225 -13.848
  212   2HB   SER   9          1HB       SER  30   2.735   4.829 -14.168
  213    HG   SER   9           HG       SER  30   4.568   5.775 -12.414
  214    H    HIS  10           H        HIS  31   3.156   4.472 -10.448
  215    HA   HIS  10           HA       HIS  31   5.579   3.023  -9.640
  216   1HB   HIS  10          1HB       HIS  31   4.242   5.580  -8.681
  217   2HB   HIS  10          2HB       HIS  31   5.719   4.975  -7.987
  218    HD1  HIS  10           HD1      HIS  31   6.034   7.564  -9.346
  219    HD2  HIS  10           HD2      HIS  31   6.325   4.116 -11.520
  220    HE1  HIS  10           HE1      HIS  31   7.270   8.128 -11.406
  221    H    LEU  11           H        LEU  32   2.232   3.395  -8.660
  222    HA   LEU  11           HA       LEU  32   2.720   2.207  -6.043
  223   1HB   LEU  11          1HB       LEU  32   0.054   2.312  -7.595
  224   2HB   LEU  11          2HB       LEU  32   0.278   2.111  -5.879
  225    HG   LEU  11           HG       LEU  32   1.215   4.630  -7.327
  226   1HD1  LEU  11          1HD1      LEU  32  -1.395   4.099  -5.867
  227   2HD1  LEU  11          3HD1      LEU  32  -0.856   5.651  -6.495
  228   3HD1  LEU  11          2HD1      LEU  32  -1.211   4.330  -7.593
  229   1HD2  LEU  11          2HD2      LEU  32   0.642   4.051  -4.398
  230   2HD2  LEU  11          1HD2      LEU  32   2.245   4.216  -5.099
  231   3HD2  LEU  11          3HD2      LEU  32   1.154   5.591  -5.048
  232    H    VAL  12           H        VAL  33   2.209   1.232  -9.305
  233    HA   VAL  12           HA       VAL  33   1.619  -1.567  -8.766
  234    HB   VAL  12           HB       VAL  33   2.262   0.095 -11.251
  235   1HG1  VAL  12          2HG1      VAL  33   3.141  -2.259 -11.581
  236   2HG1  VAL  12          1HG1      VAL  33   1.565  -2.892 -11.135
  237   3HG1  VAL  12          3HG1      VAL  33   1.752  -1.943 -12.602
  238   1HG2  VAL  12          2HG2      VAL  33  -0.217  -1.405 -10.311
  239   2HG2  VAL  12          1HG2      VAL  33  -0.001   0.333 -10.227
  240   3HG2  VAL  12          3HG2      VAL  33  -0.097  -0.454 -11.786
  241    H    GLU  13           H        GLU  34   4.418   0.234 -10.203
  242    HA   GLU  13           HA       GLU  34   6.123  -2.071 -10.191
  243   1HB   GLU  13          1HB       GLU  34   6.470   0.331 -11.232
  244   2HB   GLU  13          2HB       GLU  34   7.357   0.638  -9.740
  245   1HG   GLU  13          2HG       GLU  34   7.915  -1.724 -11.541
  246   2HG   GLU  13          1HG       GLU  34   8.841  -0.233 -11.568
  247    H    ALA  14           H        ALA  35   5.311   0.184  -7.632
  248    HA   ALA  14           HA       ALA  35   7.410  -0.698  -5.809
  249   1HB   ALA  14          1HB       ALA  35   4.895   0.928  -5.263
  250   2HB   ALA  14          3HB       ALA  35   6.223   0.698  -4.132
  251   3HB   ALA  14          2HB       ALA  35   6.494   1.580  -5.617
  252    H    LEU  15           H        LEU  36   3.852  -1.276  -5.888
  253    HA   LEU  15           HA       LEU  36   3.885  -2.924  -3.580
  254   1HB   LEU  15          1HB       LEU  36   1.859  -1.888  -4.340
  255   2HB   LEU  15          2HB       LEU  36   1.894  -2.517  -5.940
  256    HG   LEU  15           HG       LEU  36   1.201  -3.922  -3.330
  257   1HD1  LEU  15          1HD1      LEU  36  -0.303  -3.280  -5.911
  258   2HD1  LEU  15          3HD1      LEU  36  -0.998  -4.177  -4.590
  259   3HD1  LEU  15          2HD1      LEU  36  -0.554  -2.491  -4.366
  260   1HD2  LEU  15          2HD2      LEU  36   1.206  -5.223  -6.105
  261   2HD2  LEU  15          1HD2      LEU  36   2.293  -5.698  -4.801
  262   3HD2  LEU  15          3HD2      LEU  36   0.591  -5.892  -4.610
  263    H    TYR  16           H        TYR  37   4.358  -3.617  -6.969
  264    HA   TYR  16           HA       TYR  37   4.421  -6.443  -6.640
  265   1HB   TYR  16          1HB       TYR  37   5.438  -4.583  -8.828
  266   2HB   TYR  16          2HB       TYR  37   5.481  -6.297  -8.927
  267    HD1  TYR  16           HD2      TYR  37   2.554  -4.231  -7.583
  268    HD2  TYR  16           HD1      TYR  37   4.085  -6.732 -10.687
  269    HE1  TYR  16           HE2      TYR  37   0.356  -4.317  -8.599
  270    HE2  TYR  16           HE1      TYR  37   1.846  -6.796 -11.705
  271    HH   TYR  16           HH       TYR  37  -0.963  -5.312 -10.169
  272    H    LEU  17           H        LEU  38   6.922  -3.901  -6.383
  273    HA   LEU  17           HA       LEU  38   9.181  -5.706  -6.358
  274   1HB   LEU  17          1HB       LEU  38   9.431  -3.343  -7.038
  275   2HB   LEU  17          2HB       LEU  38   8.827  -2.763  -5.519
  276    HG   LEU  17           HG       LEU  38  11.350  -2.561  -5.941
  277   1HD1  LEU  17          1HD1      LEU  38  10.497  -3.942  -3.369
  278   2HD1  LEU  17          3HD1      LEU  38  11.997  -3.081  -3.622
  279   3HD1  LEU  17          2HD1      LEU  38  10.469  -2.231  -3.712
  280   1HD2  LEU  17          2HD2      LEU  38  11.335  -5.560  -5.424
  281   2HD2  LEU  17          1HD2      LEU  38  11.833  -4.753  -6.904
  282   3HD2  LEU  17          3HD2      LEU  38  12.758  -4.541  -5.449
  283    H    VAL  18           H        VAL  39   6.905  -4.550  -3.992
  284    HA   VAL  18           HA       VAL  39   8.547  -5.465  -1.727
  285    HB   VAL  18           HB       VAL  39   5.734  -4.299  -1.825
  286   1HG1  VAL  18          1HG1      VAL  39   7.696  -4.719   0.480
  287   2HG1  VAL  18          3HG1      VAL  39   6.149  -3.907   0.589
  288   3HG1  VAL  18          2HG1      VAL  39   6.200  -5.617   0.244
  289   1HG2  VAL  18          1HG2      VAL  39   7.558  -2.761  -2.642
  290   2HG2  VAL  18          3HG2      VAL  39   6.862  -2.207  -1.135
  291   3HG2  VAL  18          2HG2      VAL  39   8.427  -3.015  -1.153
  292    H    CYS  19           H        CYS  40   5.529  -6.483  -3.320
  293    HA   CYS  19           HA       CYS  40   4.941  -8.624  -1.483
  294   1HB   CYS  19          1HB       CYS  40   3.787  -7.518  -3.969
  295   2HB   CYS  19          2HB       CYS  40   3.519  -9.220  -3.703
  296    H    GLY  20           H        GLY  41   6.375  -8.641  -4.791
  297   1HA   GLY  20          1HA       GLY  41   7.862 -10.284  -5.661
  298   2HA   GLY  20          2HA       GLY  41   7.633 -11.233  -4.186
  299    H    GLU  21           H        GLU  42   4.894  -9.893  -5.685
  300    HA   GLU  21           HA       GLU  42   3.003 -10.717  -6.686
  301   1HB   GLU  21          1HB       GLU  42   5.106 -12.505  -8.019
  302   2HB   GLU  21          2HB       GLU  42   3.424 -12.484  -8.503
  303   1HG   GLU  21          2HG       GLU  42   4.831 -10.965  -9.913
  304   2HG   GLU  21          1HG       GLU  42   3.545 -10.102  -9.105
  305    H    ARG  22           H        ARG  43   3.039 -11.328  -4.326
  306    HA   ARG  22           HA       ARG  43   2.179 -14.178  -3.991
  307   1HB   ARG  22          1HB       ARG  43   4.188 -13.546  -2.521
  308   2HB   ARG  22          2HB       ARG  43   3.239 -12.208  -1.889
  309   1HG   ARG  22          2HG       ARG  43   1.520 -13.880  -1.053
  310   2HG   ARG  22          1HG       ARG  43   2.613 -15.166  -1.516
  311   1HD   ARG  22          2HD       ARG  43   4.261 -14.473   0.149
  312   2HD   ARG  22          1HD       ARG  43   3.459 -12.921   0.380
  313    HE   ARG  22           HE       ARG  43   1.519 -14.220   1.338
  314   1HH1  ARG  22          1HH1      ARG  43   1.931 -16.945   1.208
  315   2HH1  ARG  22          2HH1      ARG  43   2.888 -17.364   2.592
  316   1HH2  ARG  22          2HH2      ARG  43   3.934 -14.055   3.094
  317   2HH2  ARG  22          1HH2      ARG  43   4.055 -15.668   3.712
  318    H    GLY  23           H        GLY  44   0.159 -14.373  -3.365
  319   1HA   GLY  23          1HA       GLY  44  -2.132 -13.512  -3.663
  320   2HA   GLY  23          2HA       GLY  44  -1.723 -13.594  -1.999
  321    H    PHE  24           H        PHE  45  -1.382 -10.809  -4.485
  322    HA   PHE  24           HA       PHE  45  -2.403  -9.167  -2.264
  323   1HB   PHE  24          1HB       PHE  45  -0.697  -7.450  -3.015
  324   2HB   PHE  24          2HB       PHE  45   0.021  -8.996  -3.054
  325    HD1  PHE  24           HD1      PHE  45  -2.041  -7.229  -5.694
  326    HD2  PHE  24           HD2      PHE  45   1.642  -9.090  -4.664
  327    HE1  PHE  24           HE1      PHE  45  -1.240  -6.878  -7.966
  328    HE2  PHE  24           HE2      PHE  45   2.443  -8.735  -6.946
  329    HZ   PHE  24           HZ       PHE  45   1.023  -7.643  -8.605
  330    H    PHE  25           H        PHE  46  -3.412  -6.947  -3.840
  331    HA   PHE  25           HA       PHE  46  -5.221  -8.168  -5.828
  332   1HB   PHE  25          1HB       PHE  46  -7.093  -6.959  -4.693
  333   2HB   PHE  25          2HB       PHE  46  -6.125  -7.700  -3.452
  334    HD1  PHE  25           HD2      PHE  46  -6.722  -4.467  -5.196
  335    HD2  PHE  25           HD1      PHE  46  -4.844  -6.388  -1.865
  336    HE1  PHE  25           HE2      PHE  46  -6.204  -2.289  -4.226
  337    HE2  PHE  25           HE1      PHE  46  -4.338  -4.189  -0.913
  338    HZ   PHE  25           HZ       PHE  46  -5.028  -2.145  -2.090
  339    H    TYR  26           H        TYR  47  -5.954  -6.634  -7.361
  340    HA   TYR  26           HA       TYR  47  -6.000  -4.405  -8.391
  341   1HB   TYR  26          1HB       TYR  47  -4.047  -3.499  -6.907
  342   2HB   TYR  26          2HB       TYR  47  -2.949  -4.405  -7.931
  343    HD1  TYR  26           HD1      TYR  47  -5.705  -1.850  -8.146
  344    HD2  TYR  26           HD2      TYR  47  -2.103  -3.357  -9.870
  345    HE1  TYR  26           HE1      TYR  47  -5.669   0.014  -9.713
  346    HE2  TYR  26           HE2      TYR  47  -2.097  -1.488 -11.450
  347    HH   TYR  26           HH       TYR  47  -4.740   0.633 -11.857
  348    H    THR  27           H        THR  48  -6.501  -6.460  -9.570
  349    HA   THR  27           HA       THR  48  -4.457  -7.090 -11.684
  350    HB   THR  27           HB       THR  48  -5.409  -9.368 -11.757
  351    HG1  THR  27           HG1      THR  48  -7.407  -9.359 -11.088
  352   1HG2  THR  27          2HG2      THR  48  -3.694  -8.780  -9.901
  353   2HG2  THR  27          1HG2      THR  48  -5.058  -8.458  -8.839
  354   3HG2  THR  27          3HG2      THR  48  -4.805 -10.071  -9.468
  355    HA   PRO  28           HA       PRO  49  -8.495  -4.504 -12.714
  356   1HB   PRO  28          1HB       PRO  49  -6.729  -4.239 -15.155
  357   2HB   PRO  28          2HB       PRO  49  -7.997  -3.162 -14.566
  358   1HG   PRO  28          2HG       PRO  49  -5.467  -2.703 -13.829
  359   2HG   PRO  28          1HG       PRO  49  -6.764  -2.481 -12.651
  360   1HD   PRO  28          1HD       PRO  49  -4.716  -4.532 -12.906
  361   2HD   PRO  28          2HD       PRO  49  -5.634  -4.145 -11.404
  362    H    LYS  29           H        LYS  50 -10.054  -5.982 -12.776
  363    HA   LYS  29           HA       LYS  50 -10.325  -7.863 -15.073
  364   1HB   LYS  29          1HB       LYS  50 -10.743  -8.866 -12.873
  365   2HB   LYS  29          2HB       LYS  50 -11.794  -7.542 -12.388
  366   1HG   LYS  29          2HG       LYS  50 -13.426  -8.254 -14.168
  367   2HG   LYS  29          1HG       LYS  50 -12.336  -9.556 -14.617
  368   1HD   LYS  29          2HD       LYS  50 -12.645 -10.630 -12.359
  369   2HD   LYS  29          1HD       LYS  50 -13.729  -9.327 -11.888
  370   1HE   LYS  29          2HE       LYS  50 -15.379  -9.944 -13.518
  371   2HE   LYS  29          1HE       LYS  50 -14.265 -11.004 -14.367
  372   1HZ   LYS  29          1HZ       LYS  50 -14.504 -11.899 -11.708
  373   2HZ   LYS  29          3HZ       LYS  50 -16.057 -11.651 -12.351
  374   3HZ   LYS  29          2HZ       LYS  50 -14.972 -12.660 -13.149
  375    H    THR  30           H        THR  51 -11.237  -7.002 -16.740
  376    HA   THR  30           HA       THR  51 -13.367  -4.925 -16.431
  377    HB   THR  30           HB       THR  51 -11.282  -5.195 -18.683
  378    HG1  THR  30           HG1      THR  51 -11.197  -3.023 -17.073
  379   1HG2  THR  30          1HG2      THR  51 -13.108  -2.836 -17.929
  380   2HG2  THR  30          3HG2      THR  51 -11.960  -2.897 -19.248
  381   3HG2  THR  30          2HG2      THR  51 -13.409  -3.880 -19.320
   
  No H/Q in entry =         381
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  -7.234   4.861   0.965
    2   2H    GLY   1          3H        GLY   1  -8.856   4.813   1.447
    3   3H    GLY   1          2H        GLY   1  -7.715   5.748   2.291
    4   1HA   GLY   1          2HA       GLY   1  -7.361   4.103   3.682
    5   2HA   GLY   1          1HA       GLY   1  -8.478   3.091   2.770
    6    H    ILE   2           H        ILE   2  -7.533   2.320   0.641
    7    HA   ILE   2           HA       ILE   2  -4.770   1.210   1.026
    8    HB   ILE   2           HB       ILE   2  -6.876   0.077  -0.880
    9   1HG1  ILE   2          2HG1      ILE   2  -7.236  -1.699   1.133
   10   2HG1  ILE   2          1HG1      ILE   2  -6.596  -0.436   2.143
   11   1HG2  ILE   2          2HG2      ILE   2  -4.577  -0.878  -1.029
   12   2HG2  ILE   2          1HG2      ILE   2  -4.659  -1.264   0.678
   13   3HG2  ILE   2          3HG2      ILE   2  -5.744  -2.039  -0.453
   14   1HD1  ILE   2          2HD       ILE   2  -8.572   1.028   1.553
   15   2HD1  ILE   2          1HD       ILE   2  -9.152  -0.234   0.495
   16   3HD1  ILE   2          3HD       ILE   2  -9.049  -0.507   2.220
   17    H    VAL   3           H        VAL   3  -4.284   0.646  -1.599
   18    HA   VAL   3           HA       VAL   3  -4.255   3.363  -2.864
   19    HB   VAL   3           HB       VAL   3  -2.278   2.449  -4.211
   20   1HG1  VAL   3          1HG1      VAL   3  -2.027   2.490  -1.225
   21   2HG1  VAL   3          3HG1      VAL   3  -0.734   2.672  -2.383
   22   3HG1  VAL   3          2HG1      VAL   3  -1.990   3.882  -2.308
   23   1HG2  VAL   3          2HG2      VAL   3  -2.449   0.126  -2.250
   24   2HG2  VAL   3          1HG2      VAL   3  -2.754   0.028  -3.960
   25   3HG2  VAL   3          3HG2      VAL   3  -1.149   0.443  -3.393
   26    H    GLU   4           H        GLU   4  -3.594   2.953  -5.212
   27    HA   GLU   4           HA       GLU   4  -3.942   2.126  -7.321
   28   1HB   GLU   4          1HB       GLU   4  -6.150   0.450  -6.021
   29   2HB   GLU   4          2HB       GLU   4  -6.445   1.120  -7.556
   30   1HG   GLU   4          2HG       GLU   4  -5.424  -1.146  -7.719
   31   2HG   GLU   4          1HG       GLU   4  -4.371   0.045  -8.454
   32    H    GLN   5           H        GLN   5  -6.519   3.479  -5.433
   33    HA   GLN   5           HA       GLN   5  -7.488   5.089  -7.756
   34   1HB   GLN   5          1HB       GLN   5  -9.198   4.030  -6.256
   35   2HB   GLN   5          2HB       GLN   5  -8.556   4.906  -4.896
   36   1HG   GLN   5          2HG       GLN   5  -9.044   7.091  -6.328
   37   2HG   GLN   5          1HG       GLN   5  -9.959   6.033  -7.373
   38   1HE2  GLN   5          1HE2      GLN   5 -12.764   6.001  -5.277
   39   2HE2  GLN   5          2HE2      GLN   5 -12.082   5.550  -6.766
   40    H    CYS   6           H        CYS   6  -5.684   6.231  -7.958
   41    HA   CYS   6           HA       CYS   6  -3.894   7.628  -7.286
   42   1HB   CYS   6          1HB       CYS   6  -6.396   9.246  -7.525
   43   2HB   CYS   6          2HB       CYS   6  -4.797   9.893  -7.562
   44    H    CYS   7           H        CYS   7  -3.531   6.942  -5.074
   45    HA   CYS   7           HA       CYS   7  -3.191   7.289  -2.803
   46   1HB   CYS   7          1HB       CYS   7  -1.654   8.922  -4.025
   47   2HB   CYS   7          2HB       CYS   7  -2.860  10.151  -3.739
   48    H    THR   8           H        THR   8  -5.523   7.013  -3.145
   49    HA   THR   8           HA       THR   8  -7.733   8.335  -2.773
   50    HB   THR   8           HB       THR   8  -8.448   6.693  -0.921
   51    HG1  THR   8           HG1      THR   8  -6.196   5.297  -0.796
   52   1HG2  THR   8          2HG2      THR   8  -8.249   5.981  -3.324
   53   2HG2  THR   8          1HG2      THR   8  -6.589   5.466  -3.041
   54   3HG2  THR   8          3HG2      THR   8  -7.912   4.669  -2.216
   55    H    SER   9           H        SER   9  -5.721   7.952   0.026
   56    HA   SER   9           HA       SER   9  -6.743  10.495   1.174
   57   1HB   SER   9          2HB       SER   9  -6.546   9.294   3.448
   58   2HB   SER   9          1HB       SER   9  -7.693   8.564   2.337
   59    HG   SER   9           HG       SER   9  -6.051   7.166   1.616
   60    H    ILE  10           H        ILE  10  -4.089   8.389   2.047
   61    HA   ILE  10           HA       ILE  10  -2.190  10.678   1.622
   62    HB   ILE  10           HB       ILE  10  -2.264   9.031   4.202
   63   1HG1  ILE  10          2HG1      ILE  10  -3.269  11.876   3.673
   64   2HG1  ILE  10          1HG1      ILE  10  -4.286  10.489   3.976
   65   1HG2  ILE  10          1HG2      ILE  10  -0.709  11.595   3.538
   66   2HG2  ILE  10          3HG2      ILE  10  -0.752  10.824   5.103
   67   3HG2  ILE  10          2HG2      ILE  10   0.019  10.014   3.778
   68   1HD1  ILE  10          2HD       ILE  10  -3.354  10.258   6.258
   69   2HD1  ILE  10          1HD       ILE  10  -2.354  11.680   5.995
   70   3HD1  ILE  10          3HD       ILE  10  -4.088  11.830   5.972
   71    H    CYS  11           H        CYS  11  -2.627   7.506   0.862
   72    HA   CYS  11           HA       CYS  11  -1.118   5.656   0.607
   73   1HB   CYS  11          1HB       CYS  11   0.008   6.066  -1.538
   74   2HB   CYS  11          2HB       CYS  11  -1.614   6.668  -1.518
   75    H    SER  12           H        SER  12   0.151   5.682   2.646
   76    HA   SER  12           HA       SER  12   2.854   6.832   2.530
   77   1HB   SER  12          2HB       SER  12   2.850   6.319   5.018
   78   2HB   SER  12          1HB       SER  12   1.345   7.123   4.563
   79    HG   SER  12           HG       SER  12   1.056   4.540   4.057
   80    H    LEU  13           H        LEU  13   4.569   5.684   2.709
   81    HA   LEU  13           HA       LEU  13   5.022   3.355   1.346
   82   1HB   LEU  13          1HB       LEU  13   6.921   3.600   3.634
   83   2HB   LEU  13          2HB       LEU  13   7.198   3.471   1.940
   84    HG   LEU  13           HG       LEU  13   6.342   5.976   1.816
   85   1HD1  LEU  13          1HD1      LEU  13   7.180   5.743   4.743
   86   2HD1  LEU  13          3HD1      LEU  13   6.890   7.248   3.887
   87   3HD1  LEU  13          2HD1      LEU  13   5.565   6.139   4.204
   88   1HD2  LEU  13          2HD2      LEU  13   9.036   5.270   3.064
   89   2HD2  LEU  13          1HD2      LEU  13   8.704   5.277   1.342
   90   3HD2  LEU  13          3HD2      LEU  13   8.675   6.776   2.235
   91    H    TYR  14           H        TYR  14   4.222   3.335   4.751
   92    HA   TYR  14           HA       TYR  14   4.867   0.473   4.979
   93   1HB   TYR  14          1HB       TYR  14   4.782   2.194   6.964
   94   2HB   TYR  14          2HB       TYR  14   3.050   1.966   6.962
   95    HD1  TYR  14           HD1      TYR  14   6.278   0.317   7.553
   96    HD2  TYR  14           HD2      TYR  14   2.043  -0.199   7.606
   97    HE1  TYR  14           HE1      TYR  14   6.534  -1.744   8.839
   98    HE2  TYR  14           HE2      TYR  14   2.295  -2.242   8.877
   99    HH   TYR  14           HH       TYR  14   3.867  -3.449  10.234
  100    H    GLN  15           H        GLN  15   2.087   2.486   4.219
  101    HA   GLN  15           HA       GLN  15   0.066   0.487   4.473
  102   1HB   GLN  15          1HB       GLN  15  -0.214   3.069   4.060
  103   2HB   GLN  15          2HB       GLN  15   0.085   2.735   2.360
  104   1HG   GLN  15          2HG       GLN  15  -1.829   1.161   2.330
  105   2HG   GLN  15          1HG       GLN  15  -2.245   1.708   3.952
  106   1HE2  GLN  15          1HE2      GLN  15  -3.286   3.948   0.809
  107   2HE2  GLN  15          2HE2      GLN  15  -2.783   2.318   0.723
  108    H    LEU  16           H        LEU  16   2.581   1.240   2.096
  109    HA   LEU  16           HA       LEU  16   1.521  -0.557   0.050
  110   1HB   LEU  16          1HB       LEU  16   2.994   1.558  -0.274
  111   2HB   LEU  16          2HB       LEU  16   4.387   0.652   0.219
  112    HG   LEU  16           HG       LEU  16   3.911  -1.000  -1.594
  113   1HD1  LEU  16          1HD1      LEU  16   1.948   1.200  -2.493
  114   2HD1  LEU  16          3HD1      LEU  16   2.417  -0.164  -3.488
  115   3HD1  LEU  16          2HD1      LEU  16   1.486  -0.428  -2.043
  116   1HD2  LEU  16          1HD2      LEU  16   5.592   0.873  -1.809
  117   2HD2  LEU  16          3HD2      LEU  16   4.846   0.515  -3.352
  118   3HD2  LEU  16          2HD2      LEU  16   4.323   1.915  -2.438
  119    H    GLU  17           H        GLU  17   3.796  -0.718   2.727
  120    HA   GLU  17           HA       GLU  17   4.746  -3.378   2.051
  121   1HB   GLU  17          1HB       GLU  17   4.867  -1.865   4.689
  122   2HB   GLU  17          2HB       GLU  17   5.775  -3.321   4.313
  123   1HG   GLU  17          2HG       GLU  17   7.056  -2.165   2.578
  124   2HG   GLU  17          1HG       GLU  17   6.077  -0.723   2.749
  125    H    ASN  18           H        ASN  18   1.874  -2.176   3.499
  126    HA   ASN  18           HA       ASN  18   1.527  -4.595   5.145
  127   1HB   ASN  18          1HB       ASN  18   0.519  -2.215   5.662
  128   2HB   ASN  18          2HB       ASN  18  -0.753  -2.688   4.543
  129   1HD2  ASN  18          1HD2      ASN  18  -2.342  -4.625   7.007
  130   2HD2  ASN  18          2HD2      ASN  18  -2.477  -3.703   5.588
  131    H    TYR  19           H        TYR  19   1.707  -4.368   2.076
  132    HA   TYR  19           HA       TYR  19  -0.694  -6.011   1.349
  133   1HB   TYR  19          1HB       TYR  19   1.335  -4.606  -0.444
  134   2HB   TYR  19          2HB       TYR  19  -0.145  -5.392  -0.973
  135    HD1  TYR  19           HD2      TYR  19  -1.824  -4.131   1.499
  136    HD2  TYR  19           HD1      TYR  19   0.717  -2.532  -1.529
  137    HE1  TYR  19           HE2      TYR  19  -2.985  -2.007   1.634
  138    HE2  TYR  19           HE1      TYR  19  -0.478  -0.399  -1.385
  139    HH   TYR  19           HH       TYR  19  -1.894   0.769  -0.346
  140    H    CYS  20           H        CYS  20   2.329  -6.365   2.466
  141    HA   CYS  20           HA       CYS  20   2.993  -8.735   0.788
  142   1HB   CYS  20          1HB       CYS  20   4.936  -7.305   2.640
  143   2HB   CYS  20          2HB       CYS  20   5.235  -8.255   1.232
  144    H    ASN  21           H        ASN  21   2.376  -7.545   4.058
  145    HA   ASN  21           HA       ASN  21   2.270 -10.358   5.032
  146   1HB   ASN  21          1HB       ASN  21   3.161  -9.587   7.213
  147   2HB   ASN  21          2HB       ASN  21   4.333  -9.282   5.943
  148   1HD2  ASN  21          1HD2      ASN  21   2.763  -5.684   6.520
  149   2HD2  ASN  21          2HD2      ASN  21   2.018  -6.855   5.544
  150   1H    PHE   1          1H        PHE  22   6.460   9.351   3.716
  151   2H    PHE   1          3H        PHE  22   6.432   9.410   5.411
  152   3H    PHE   1          2H        PHE  22   5.359   8.387   4.583
  153    HA   PHE   1           HA       PHE  22   3.870   9.963   4.455
  154   1HB   PHE   1          2HB       PHE  22   4.635  10.723   6.618
  155   2HB   PHE   1          1HB       PHE  22   6.006  11.586   5.931
  156    HD1  PHE   1           HD2      PHE  22   2.262  11.466   5.361
  157    HD2  PHE   1           HD1      PHE  22   5.735  13.888   5.876
  158    HE1  PHE   1           HE2      PHE  22   0.891  13.486   5.128
  159    HE2  PHE   1           HE1      PHE  22   4.361  15.904   5.639
  160    HZ   PHE   1           HZ       PHE  22   1.928  15.712   5.269
  161    H    VAL   2           H        VAL  23   3.741  10.153   2.237
  162    HA   VAL   2           HA       VAL  23   5.134  12.505   0.994
  163    HB   VAL   2           HB       VAL  23   4.976  11.274  -1.173
  164   1HG1  VAL   2          1HG1      VAL  23   6.408   9.738   1.046
  165   2HG1  VAL   2          3HG1      VAL  23   6.764   9.613  -0.673
  166   3HG1  VAL   2          2HG1      VAL  23   7.035  11.127   0.171
  167   1HG2  VAL   2          2HG2      VAL  23   3.977   8.935   0.526
  168   2HG2  VAL   2          1HG2      VAL  23   3.029   9.808  -0.664
  169   3HG2  VAL   2          3HG2      VAL  23   4.388   8.843  -1.177
  170    H    ASN   3           H        ASN  24   3.917  13.605  -0.632
  171    HA   ASN   3           HA       ASN  24   0.943  13.243  -0.562
  172   1HB   ASN   3          1HB       ASN  24   1.833  14.895   1.176
  173   2HB   ASN   3          2HB       ASN  24   2.416  15.893  -0.137
  174   1HD2  ASN   3          1HD2      ASN  24  -1.545  15.893  -0.672
  175   2HD2  ASN   3          2HD2      ASN  24  -0.543  14.643  -1.225
  176    H    GLN   4           H        GLN  25   2.691  12.406  -2.446
  177    HA   GLN   4           HA       GLN  25   2.617  14.283  -4.792
  178   1HB   GLN   4          1HB       GLN  25   4.773  13.504  -4.267
  179   2HB   GLN   4          2HB       GLN  25   4.272  11.840  -4.066
  180   1HG   GLN   4          2HG       GLN  25   3.949  11.680  -6.575
  181   2HG   GLN   4          1HG       GLN  25   4.380  13.365  -6.731
  182   1HE2  GLN   4          1HE2      GLN  25   7.755  12.353  -7.005
  183   2HE2  GLN   4          2HE2      GLN  25   6.516  13.368  -7.558
  184    H    HIS   5           H        HIS  26   0.039  13.200  -4.093
  185    HA   HIS   5           HA       HIS  26  -1.199  11.089  -4.594
  186   1HB   HIS   5          1HB       HIS  26  -1.771  13.631  -6.192
  187   2HB   HIS   5          2HB       HIS  26  -2.879  12.278  -6.081
  188    HD1  HIS   5           HD1      HIS  26  -4.523  13.767  -4.808
  189    HD2  HIS   5           HD2      HIS  26  -1.042  13.300  -2.727
  190    HE1  HIS   5           HE1      HIS  26  -4.953  14.574  -2.497
  191    H    LEU   6           H        LEU  27   0.159   9.836  -5.364
  192    HA   LEU   6           HA       LEU  27   0.832   9.499  -8.225
  193   1HB   LEU   6          1HB       LEU  27   0.911   7.294  -6.082
  194   2HB   LEU   6          2HB       LEU  27   1.739   7.284  -7.613
  195    HG   LEU   6           HG       LEU  27   2.829   9.524  -6.579
  196   1HD1  LEU   6          2HD1      LEU  27   1.513   9.337  -4.396
  197   2HD1  LEU   6          1HD1      LEU  27   2.203   7.747  -4.162
  198   3HD1  LEU   6          3HD1      LEU  27   3.234   9.166  -4.130
  199   1HD2  LEU   6          1HD2      LEU  27   4.083   7.514  -7.353
  200   2HD2  LEU   6          3HD2      LEU  27   4.730   8.137  -5.847
  201   3HD2  LEU   6          2HD2      LEU  27   3.710   6.700  -5.836
  202    H    CYS   7           H        CYS  28  -0.227   8.097  -9.717
  203    HA   CYS   7           HA       CYS  28  -2.910   7.153  -8.813
  204   1HB   CYS   7          1HB       CYS  28  -1.940   8.238 -11.435
  205   2HB   CYS   7          2HB       CYS  28  -3.455   7.392 -11.325
  206    H    GLY   8           H        GLY  29  -3.644   5.341  -9.151
  207   1HA   GLY   8          1HA       GLY  29  -2.978   3.032  -8.848
  208   2HA   GLY   8          2HA       GLY  29  -3.954   3.186 -10.253
  209    H    SER   9           H        SER  30  -1.988   3.731 -12.298
  210    HA   SER   9           HA       SER  30  -0.758   1.289 -12.714
  211   1HB   SER   9          2HB       SER  30  -0.121   4.063 -13.809
  212   2HB   SER   9          1HB       SER  30   0.594   2.582 -14.471
  213    HG   SER   9           HG       SER  30  -1.910   3.543 -14.733
  214    H    HIS  10           H        HIS  31   0.619   3.865 -10.896
  215    HA   HIS  10           HA       HIS  31   3.279   2.571 -10.804
  216   1HB   HIS  10          1HB       HIS  31   2.353   5.257  -9.702
  217   2HB   HIS  10          2HB       HIS  31   4.027   4.697  -9.851
  218    HD1  HIS  10           HD1      HIS  31   1.061   5.175 -12.080
  219    HD2  HIS  10           HD2      HIS  31   5.133   5.239 -12.413
  220    HE1  HIS  10           HE1      HIS  31   1.563   5.824 -14.430
  221    H    LEU  11           H        LEU  32   0.389   3.017  -8.945
  222    HA   LEU  11           HA       LEU  32   1.671   2.273  -6.393
  223   1HB   LEU  11          1HB       LEU  32  -1.308   2.304  -7.197
  224   2HB   LEU  11          2HB       LEU  32  -0.709   1.875  -5.620
  225    HG   LEU  11           HG       LEU  32  -1.547   4.204  -5.683
  226   1HD1  LEU  11          2HD1      LEU  32   0.278   3.745  -4.089
  227   2HD1  LEU  11          1HD1      LEU  32   1.487   4.145  -5.305
  228   3HD1  LEU  11          3HD1      LEU  32   0.384   5.375  -4.717
  229   1HD2  LEU  11          1HD2      LEU  32  -1.094   4.652  -8.020
  230   2HD2  LEU  11          3HD2      LEU  32  -0.444   5.907  -6.978
  231   3HD2  LEU  11          2HD2      LEU  32   0.630   4.756  -7.722
  232    H    VAL  12           H        VAL  33   0.272   0.817  -9.236
  233    HA   VAL  12           HA       VAL  33   0.034  -1.834  -8.042
  234    HB   VAL  12           HB       VAL  33  -1.138  -0.574 -10.205
  235   1HG1  VAL  12          1HG1      VAL  33   0.637  -2.743 -11.395
  236   2HG1  VAL  12          3HG1      VAL  33  -0.708  -1.972 -12.207
  237   3HG1  VAL  12          2HG1      VAL  33   0.718  -1.036 -11.792
  238   1HG2  VAL  12          2HG2      VAL  33  -0.963  -3.533  -9.529
  239   2HG2  VAL  12          1HG2      VAL  33  -2.085  -2.376  -8.827
  240   3HG2  VAL  12          3HG2      VAL  33  -2.219  -2.805 -10.532
  241    H    GLU  13           H        GLU  34   2.246  -0.187 -10.409
  242    HA   GLU  13           HA       GLU  34   3.906  -2.470 -10.802
  243   1HB   GLU  13          1HB       GLU  34   4.004  -0.068 -11.951
  244   2HB   GLU  13          2HB       GLU  34   5.280   0.241 -10.787
  245   1HG   GLU  13          2HG       GLU  34   5.226  -1.962 -12.874
  246   2HG   GLU  13          1HG       GLU  34   6.358  -0.640 -12.751
  247    H    ALA  14           H        ALA  35   3.762   0.023  -8.290
  248    HA   ALA  14           HA       ALA  35   6.165  -0.697  -6.916
  249   1HB   ALA  14          2HB       ALA  35   5.208   1.537  -6.864
  250   2HB   ALA  14          1HB       ALA  35   3.752   0.940  -6.072
  251   3HB   ALA  14          3HB       ALA  35   5.305   0.908  -5.245
  252    H    LEU  15           H        LEU  36   2.710  -1.325  -6.094
  253    HA   LEU  15           HA       LEU  36   3.468  -2.816  -3.772
  254   1HB   LEU  15          1HB       LEU  36   1.213  -2.023  -3.795
  255   2HB   LEU  15          2HB       LEU  36   0.840  -2.526  -5.360
  256    HG   LEU  15           HG       LEU  36   0.996  -4.289  -2.888
  257   1HD1  LEU  15          2HD1      LEU  36  -1.021  -2.719  -3.099
  258   2HD1  LEU  15          1HD1      LEU  36  -1.342  -3.391  -4.685
  259   3HD1  LEU  15          3HD1      LEU  36  -1.486  -4.385  -3.239
  260   1HD2  LEU  15          2HD2      LEU  36   0.104  -5.056  -5.711
  261   2HD2  LEU  15          1HD2      LEU  36   1.489  -5.741  -4.887
  262   3HD2  LEU  15          3HD2      LEU  36  -0.099  -6.033  -4.259
  263    H    TYR  16           H        TYR  37   2.895  -3.828  -7.046
  264    HA   TYR  16           HA       TYR  37   2.880  -6.573  -6.816
  265   1HB   TYR  16          1HB       TYR  37   3.654  -4.682  -8.958
  266   2HB   TYR  16          2HB       TYR  37   4.468  -6.206  -9.122
  267    HD1  TYR  16           HD1      TYR  37   2.401  -8.227  -8.619
  268    HD2  TYR  16           HD2      TYR  37   2.078  -4.421 -10.488
  269    HE1  TYR  16           HE1      TYR  37   0.465  -9.017  -9.901
  270    HE2  TYR  16           HE2      TYR  37   0.149  -5.205 -11.772
  271    HH   TYR  16           HH       TYR  37  -1.099  -6.945 -12.325
  272    H    LEU  17           H        LEU  38   5.664  -4.326  -6.887
  273    HA   LEU  17           HA       LEU  38   7.536  -6.623  -6.519
  274   1HB   LEU  17          1HB       LEU  38   8.277  -5.142  -8.182
  275   2HB   LEU  17          2HB       LEU  38   8.024  -3.701  -7.258
  276    HG   LEU  17           HG       LEU  38  10.424  -4.378  -7.616
  277   1HD1  LEU  17          2HD1      LEU  38   9.924  -2.815  -5.784
  278   2HD1  LEU  17          1HD1      LEU  38   9.684  -4.120  -4.651
  279   3HD1  LEU  17          3HD1      LEU  38  11.256  -3.845  -5.350
  280   1HD2  LEU  17          2HD2      LEU  38   9.832  -6.729  -5.766
  281   2HD2  LEU  17          1HD2      LEU  38  10.327  -6.787  -7.432
  282   3HD2  LEU  17          3HD2      LEU  38  11.422  -6.175  -6.203
  283    H    VAL  18           H        VAL  39   6.687  -3.638  -4.639
  284    HA   VAL  18           HA       VAL  39   8.592  -3.769  -2.670
  285    HB   VAL  18           HB       VAL  39   5.648  -2.953  -2.578
  286   1HG1  VAL  18          1HG1      VAL  39   7.729  -2.552  -0.359
  287   2HG1  VAL  18          3HG1      VAL  39   6.116  -1.847  -0.383
  288   3HG1  VAL  18          2HG1      VAL  39   6.312  -3.579  -0.229
  289   1HG2  VAL  18          2HG2      VAL  39   8.280  -1.403  -2.500
  290   2HG2  VAL  18          1HG2      VAL  39   7.264  -1.552  -3.915
  291   3HG2  VAL  18          3HG2      VAL  39   6.692  -0.687  -2.516
  292    H    CYS  19           H        CYS  40   5.937  -5.848  -3.229
  293    HA   CYS  19           HA       CYS  40   6.229  -7.165  -0.621
  294   1HB   CYS  19          1HB       CYS  40   4.354  -7.356  -2.924
  295   2HB   CYS  19          2HB       CYS  40   4.310  -8.548  -1.637
  296    H    GLY  20           H        GLY  41   7.008  -8.037  -4.014
  297   1HA   GLY  20          1HA       GLY  41   8.545  -9.634  -4.651
  298   2HA   GLY  20          2HA       GLY  41   8.783 -10.135  -2.988
  299    H    GLU  21           H        GLU  42   6.048 -10.823  -2.295
  300    HA   GLU  21           HA       GLU  42   5.092 -12.655  -4.380
  301   1HB   GLU  21          1HB       GLU  42   5.391 -14.648  -2.957
  302   2HB   GLU  21          2HB       GLU  42   6.850 -13.743  -2.693
  303   1HG   GLU  21          2HG       GLU  42   4.448 -13.844  -0.845
  304   2HG   GLU  21          1HG       GLU  42   6.034 -14.486  -0.536
  305    H    ARG  22           H        ARG  43   4.277 -10.284  -3.196
  306    HA   ARG  22           HA       ARG  43   2.417  -9.762  -1.441
  307   1HB   ARG  22          1HB       ARG  43   1.714  -8.018  -2.877
  308   2HB   ARG  22          2HB       ARG  43   3.108  -8.631  -3.692
  309   1HG   ARG  22          2HG       ARG  43   0.386  -9.643  -4.459
  310   2HG   ARG  22          1HG       ARG  43   1.191  -8.279  -5.216
  311   1HD   ARG  22          2HD       ARG  43   3.174  -9.776  -5.736
  312   2HD   ARG  22          1HD       ARG  43   2.298 -11.129  -5.048
  313    HE   ARG  22           HE       ARG  43   1.105  -9.602  -7.304
  314   1HH1  ARG  22          2HH2      ARG  43   0.383 -12.314  -5.704
  315   2HH1  ARG  22          1HH2      ARG  43   0.591 -13.401  -7.039
  316   1HH2  ARG  22          2HH1      ARG  43   2.241 -11.054  -9.013
  317   2HH2  ARG  22          1HH1      ARG  43   1.705 -12.699  -8.924
  318    H    GLY  23           H        GLY  44   0.224  -9.736  -1.010
  319   1HA   GLY  23          1HA       GLY  44  -1.325 -12.141  -1.935
  320   2HA   GLY  23          2HA       GLY  44  -1.430 -11.397  -0.368
  321    H    PHE  24           H        PHE  45  -1.839  -9.919  -3.767
  322    HA   PHE  24           HA       PHE  45  -4.350  -8.849  -2.696
  323   1HB   PHE  24          1HB       PHE  45  -3.726  -6.655  -3.537
  324   2HB   PHE  24          2HB       PHE  45  -2.192  -7.318  -3.105
  325    HD1  PHE  24           HD2      PHE  45  -1.437  -9.073  -5.404
  326    HD2  PHE  24           HD1      PHE  45  -3.334  -5.249  -5.311
  327    HE1  PHE  24           HE2      PHE  45  -0.527  -8.543  -7.622
  328    HE2  PHE  24           HE1      PHE  45  -2.423  -4.739  -7.512
  329    HZ   PHE  24           HZ       PHE  45  -0.999  -6.387  -8.673
  330    H    PHE  25           H        PHE  46  -5.670  -8.187  -5.119
  331    HA   PHE  25           HA       PHE  46  -5.169 -10.363  -7.073
  332   1HB   PHE  25          1HB       PHE  46  -7.975  -9.342  -6.389
  333   2HB   PHE  25          2HB       PHE  46  -7.535 -10.711  -7.368
  334    HD1  PHE  25           HD2      PHE  46  -6.591 -12.802  -6.157
  335    HD2  PHE  25           HD1      PHE  46  -8.486  -9.589  -4.124
  336    HE1  PHE  25           HE2      PHE  46  -7.028 -14.276  -4.223
  337    HE2  PHE  25           HE1      PHE  46  -8.916 -11.049  -2.193
  338    HZ   PHE  25           HZ       PHE  46  -8.185 -13.405  -2.246
  339    H    TYR  26           H        TYR  47  -4.990  -9.405  -9.114
  340    HA   TYR  26           HA       TYR  47  -6.404  -6.853  -9.554
  341   1HB   TYR  26          1HB       TYR  47  -3.931  -6.528  -8.688
  342   2HB   TYR  26          2HB       TYR  47  -3.475  -6.938 -10.352
  343    HD1  TYR  26           HD1      TYR  47  -5.861  -4.829  -8.389
  344    HD2  TYR  26           HD2      TYR  47  -3.685  -5.167 -12.038
  345    HE1  TYR  26           HE1      TYR  47  -6.641  -2.613  -9.052
  346    HE2  TYR  26           HE2      TYR  47  -4.479  -2.932 -12.692
  347    HH   TYR  26           HH       TYR  47  -5.749  -1.159 -12.147
  348    H    THR  27           H        THR  48  -7.308  -8.824 -10.518
  349    HA   THR  27           HA       THR  48  -6.481  -9.144 -13.398
  350    HB   THR  27           HB       THR  48  -7.619 -11.375 -13.220
  351    HG1  THR  27           HG1      THR  48  -8.722 -11.562 -11.442
  352   1HG2  THR  27          1HG2      THR  48  -5.416 -10.819 -11.121
  353   2HG2  THR  27          3HG2      THR  48  -5.748 -12.383 -11.848
  354   3HG2  THR  27          2HG2      THR  48  -5.067 -11.090 -12.809
  355    HA   PRO  28           HA       PRO  49 -10.506  -6.504 -12.570
  356   1HB   PRO  28          1HB       PRO  49  -9.574  -5.787 -15.341
  357   2HB   PRO  28          2HB       PRO  49 -10.564  -4.823 -14.225
  358   1HG   PRO  28          2HG       PRO  49  -7.973  -4.364 -14.054
  359   2HG   PRO  28          1HG       PRO  49  -8.759  -4.774 -12.528
  360   1HD   PRO  28          1HD       PRO  49  -7.194  -6.507 -14.386
  361   2HD   PRO  28          2HD       PRO  49  -7.078  -6.382 -12.587
  362    H    LYS  29           H        LYS  50 -12.688  -6.724 -13.329
  363    HA   LYS  29           HA       LYS  50 -13.159  -8.980 -15.234
  364   1HB   LYS  29          1HB       LYS  50 -14.810  -8.162 -12.838
  365   2HB   LYS  29          2HB       LYS  50 -15.246  -9.447 -13.937
  366   1HG   LYS  29          2HG       LYS  50 -12.846  -9.435 -12.085
  367   2HG   LYS  29          1HG       LYS  50 -14.307 -10.398 -11.978
  368   1HD   LYS  29          2HD       LYS  50 -13.787 -11.492 -14.152
  369   2HD   LYS  29          1HD       LYS  50 -12.264 -10.613 -14.229
  370   1HE   LYS  29          2HE       LYS  50 -11.622 -11.606 -12.014
  371   2HE   LYS  29          1HE       LYS  50 -13.090 -12.571 -12.077
  372   1HZ   LYS  29          1HZ       LYS  50 -11.760 -12.856 -14.505
  373   2HZ   LYS  29          3HZ       LYS  50 -10.626 -13.076 -13.264
  374   3HZ   LYS  29          2HZ       LYS  50 -12.027 -14.026 -13.304
  375    H    THR  30           H        THR  51 -13.097  -6.880 -16.678
  376    HA   THR  30           HA       THR  51 -15.929  -5.947 -17.064
  377    HB   THR  30           HB       THR  51 -13.242  -4.608 -17.582
  378    HG1  THR  30           HG1      THR  51 -14.080  -3.662 -15.905
  379   1HG2  THR  30          1HG2      THR  51 -15.981  -3.771 -18.728
  380   2HG2  THR  30          3HG2      THR  51 -14.482  -2.862 -18.897
  381   3HG2  THR  30          2HG2      THR  51 -14.667  -4.387 -19.728
   
  No H/Q in entry =         381
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1 -10.308  -2.873   4.246
    2   2H    GLY   1          3H        GLY   1 -10.187  -4.472   3.678
    3   3H    GLY   1          2H        GLY   1  -9.301  -3.983   5.044
    4   1HA   GLY   1          2HA       GLY   1  -7.593  -3.415   3.743
    5   2HA   GLY   1          1HA       GLY   1  -8.542  -3.962   2.357
    6    H    ILE   2           H        ILE   2  -6.879  -1.959   1.847
    7    HA   ILE   2           HA       ILE   2  -8.654   0.434   1.666
    8    HB   ILE   2           HB       ILE   2  -5.687   0.877   1.427
    9   1HG1  ILE   2          2HG1      ILE   2  -5.735  -0.648   3.454
   10   2HG1  ILE   2          1HG1      ILE   2  -5.134   0.963   3.732
   11   1HG2  ILE   2          1HG2      ILE   2  -7.948   2.310   2.873
   12   2HG2  ILE   2          3HG2      ILE   2  -6.320   2.954   2.677
   13   3HG2  ILE   2          2HG2      ILE   2  -7.358   2.749   1.288
   14   1HD1  ILE   2          1HD       ILE   2  -7.938   0.056   4.492
   15   2HD1  ILE   2          3HD       ILE   2  -6.549   0.207   5.549
   16   3HD1  ILE   2          2HD       ILE   2  -7.246   1.640   4.804
   17    H    VAL   3           H        VAL   3  -7.518   1.882  -0.248
   18    HA   VAL   3           HA       VAL   3  -7.170  -0.004  -2.548
   19    HB   VAL   3           HB       VAL   3  -8.215   1.706  -3.982
   20   1HG1  VAL   3          2HG1      VAL   3  -9.573  -0.068  -3.013
   21   2HG1  VAL   3          1HG1      VAL   3  -9.897   0.911  -1.594
   22   3HG1  VAL   3          3HG1      VAL   3 -10.493   1.415  -3.176
   23   1HG2  VAL   3          1HG2      VAL   3  -7.609   3.706  -2.608
   24   2HG2  VAL   3          3HG2      VAL   3  -9.332   3.661  -2.961
   25   3HG2  VAL   3          2HG2      VAL   3  -8.732   3.199  -1.367
   26    H    GLU   4           H        GLU   4  -6.402   1.090  -4.461
   27    HA   GLU   4           HA       GLU   4  -3.963   2.703  -3.968
   28   1HB   GLU   4          1HB       GLU   4  -4.467   0.060  -5.262
   29   2HB   GLU   4          2HB       GLU   4  -3.473   1.145  -6.195
   30   1HG   GLU   4          2HG       GLU   4  -2.256  -0.457  -4.584
   31   2HG   GLU   4          1HG       GLU   4  -1.771   1.206  -4.492
   32    H    GLN   5           H        GLN   5  -5.638   4.369  -4.330
   33    HA   GLN   5           HA       GLN   5  -5.683   5.091  -7.220
   34   1HB   GLN   5          1HB       GLN   5  -7.906   4.179  -6.561
   35   2HB   GLN   5          2HB       GLN   5  -7.999   5.337  -5.256
   36   1HG   GLN   5          2HG       GLN   5  -9.301   5.936  -7.363
   37   2HG   GLN   5          1HG       GLN   5  -8.234   7.192  -6.766
   38   1HE2  GLN   5          1HE2      GLN   5  -6.745   7.424  -9.938
   39   2HE2  GLN   5          2HE2      GLN   5  -7.325   8.202  -8.545
   40    H    CYS   6           H        CYS   6  -5.536   7.232  -7.658
   41    HA   CYS   6           HA       CYS   6  -4.020   9.090  -7.147
   42   1HB   CYS   6          1HB       CYS   6  -6.942   9.413  -6.994
   43   2HB   CYS   6          2HB       CYS   6  -5.972  10.823  -6.757
   44    H    CYS   7           H        CYS   7  -3.262   8.031  -5.021
   45    HA   CYS   7           HA       CYS   7  -2.787   8.099  -2.726
   46   1HB   CYS   7          1HB       CYS   7  -1.068   9.414  -3.921
   47   2HB   CYS   7          2HB       CYS   7  -2.075  10.838  -3.826
   48    H    THR   8           H        THR   8  -5.255   8.375  -3.016
   49    HA   THR   8           HA       THR   8  -7.106  10.055  -2.317
   50    HB   THR   8           HB       THR   8  -7.892   7.914  -1.801
   51    HG1  THR   8           HG1      THR   8  -7.632   9.450   0.481
   52   1HG2  THR   8          1HG2      THR   8  -5.503   7.464   0.021
   53   2HG2  THR   8          3HG2      THR   8  -6.762   6.287  -0.361
   54   3HG2  THR   8          2HG2      THR   8  -5.662   6.824  -1.611
   55    H    SER   9           H        SER   9  -4.966   9.244   0.478
   56    HA   SER   9           HA       SER   9  -5.035  12.087   1.196
   57   1HB   SER   9          2HB       SER   9  -6.215   9.959   3.062
   58   2HB   SER   9          1HB       SER   9  -5.871  11.640   3.519
   59    HG   SER   9           HG       SER   9  -7.512  10.580   1.511
   60    H    ILE  10           H        ILE  10  -3.569   9.049   2.087
   61    HA   ILE  10           HA       ILE  10  -1.149  10.503   2.928
   62    HB   ILE  10           HB       ILE  10  -2.405   8.448   4.807
   63   1HG1  ILE  10          2HG1      ILE  10  -2.464  11.501   5.003
   64   2HG1  ILE  10          1HG1      ILE  10  -3.858  10.481   4.709
   65   1HG2  ILE  10          1HG2      ILE  10  -0.149  10.511   5.158
   66   2HG2  ILE  10          3HG2      ILE  10  -0.683   9.410   6.411
   67   3HG2  ILE  10          2HG2      ILE  10   0.107   8.784   4.992
   68   1HD1  ILE  10          2HD       ILE  10  -3.590   9.429   6.934
   69   2HD1  ILE  10          1HD       ILE  10  -2.218  10.488   7.262
   70   3HD1  ILE  10          3HD       ILE  10  -3.822  11.168   7.030
   71    H    CYS  11           H        CYS  11  -1.090   9.262   0.773
   72    HA   CYS  11           HA       CYS  11  -0.572   6.455   0.697
   73   1HB   CYS  11          1HB       CYS  11   0.487   6.859  -1.468
   74   2HB   CYS  11          2HB       CYS  11  -1.080   7.600  -1.304
   75    H    SER  12           H        SER  12   0.851   5.574   1.991
   76    HA   SER  12           HA       SER  12   3.744   6.298   1.816
   77   1HB   SER  12          2HB       SER  12   3.897   6.164   4.235
   78   2HB   SER  12          1HB       SER  12   2.174   6.462   4.154
   79    HG   SER  12           HG       SER  12   3.422   4.249   4.905
   80    H    LEU  13           H        LEU  13   4.913   4.031   2.476
   81    HA   LEU  13           HA       LEU  13   3.630   1.955   0.773
   82   1HB   LEU  13          1HB       LEU  13   6.503   2.147   1.678
   83   2HB   LEU  13          2HB       LEU  13   5.877   0.956   0.565
   84    HG   LEU  13           HG       LEU  13   5.802   3.963  -0.057
   85   1HD1  LEU  13          2HD1      LEU  13   8.171   3.174   0.051
   86   2HD1  LEU  13          1HD1      LEU  13   7.790   1.865  -1.060
   87   3HD1  LEU  13          3HD1      LEU  13   7.695   3.533  -1.603
   88   1HD2  LEU  13          2HD2      LEU  13   5.439   1.552  -1.895
   89   2HD2  LEU  13          1HD2      LEU  13   4.154   2.632  -1.383
   90   3HD2  LEU  13          3HD2      LEU  13   5.427   3.218  -2.425
   91    H    TYR  14           H        TYR  14   4.531   2.650   4.016
   92    HA   TYR  14           HA       TYR  14   4.818  -0.047   4.993
   93   1HB   TYR  14          1HB       TYR  14   5.608   1.812   6.388
   94   2HB   TYR  14          2HB       TYR  14   4.002   2.454   6.630
   95    HD1  TYR  14           HD2      TYR  14   6.277  -0.309   7.397
   96    HD2  TYR  14           HD1      TYR  14   2.381   1.258   8.108
   97    HE1  TYR  14           HE2      TYR  14   5.988  -1.870   9.240
   98    HE2  TYR  14           HE1      TYR  14   2.082  -0.302   9.963
   99    HH   TYR  14           HH       TYR  14   4.557  -2.703  10.782
  100    H    GLN  15           H        GLN  15   2.118   2.109   4.419
  101    HA   GLN  15           HA       GLN  15   0.078   0.577   5.724
  102   1HB   GLN  15          1HB       GLN  15  -0.100   3.001   5.087
  103   2HB   GLN  15          2HB       GLN  15  -0.051   2.592   3.398
  104   1HG   GLN  15          2HG       GLN  15  -2.205   1.439   5.191
  105   2HG   GLN  15          1HG       GLN  15  -2.368   3.038   4.506
  106   1HE2  GLN  15          1HE2      GLN  15  -3.302  -0.083   2.201
  107   2HE2  GLN  15          2HE2      GLN  15  -3.012  -0.225   3.872
  108    H    LEU  16           H        LEU  16   1.755   0.346   2.646
  109    HA   LEU  16           HA       LEU  16  -0.173  -1.408   1.380
  110   1HB   LEU  16          1HB       LEU  16   2.775  -1.159   0.745
  111   2HB   LEU  16          2HB       LEU  16   1.506  -1.655  -0.330
  112    HG   LEU  16           HG       LEU  16   1.822   1.139   0.837
  113   1HD1  LEU  16          2HD1      LEU  16   3.385   0.571  -1.027
  114   2HD1  LEU  16          1HD1      LEU  16   2.023   0.072  -2.007
  115   3HD1  LEU  16          3HD1      LEU  16   2.188   1.748  -1.570
  116   1HD2  LEU  16          2HD2      LEU  16  -0.327   0.119  -1.037
  117   2HD2  LEU  16          1HD2      LEU  16  -0.577   0.629   0.621
  118   3HD2  LEU  16          3HD2      LEU  16  -0.076   1.801  -0.576
  119    H    GLU  17           H        GLU  17   2.362  -1.787   3.666
  120    HA   GLU  17           HA       GLU  17   2.895  -4.609   3.180
  121   1HB   GLU  17          1HB       GLU  17   3.240  -3.187   5.851
  122   2HB   GLU  17          2HB       GLU  17   4.072  -4.614   5.269
  123   1HG   GLU  17          2HG       GLU  17   4.351  -1.822   4.096
  124   2HG   GLU  17          1HG       GLU  17   5.561  -2.670   5.035
  125    H    ASN  18           H        ASN  18   0.271  -2.975   4.458
  126    HA   ASN  18           HA       ASN  18  -0.686  -4.834   6.409
  127   1HB   ASN  18          1HB       ASN  18  -2.246  -2.884   4.633
  128   2HB   ASN  18          2HB       ASN  18  -2.820  -3.621   6.128
  129   1HD2  ASN  18          1HD2      ASN  18   0.131  -1.531   7.599
  130   2HD2  ASN  18          2HD2      ASN  18   0.261  -3.118   7.015
  131    H    TYR  19           H        TYR  19  -0.663  -4.879   2.986
  132    HA   TYR  19           HA       TYR  19  -2.685  -7.046   2.820
  133   1HB   TYR  19          1HB       TYR  19  -1.069  -6.004   0.401
  134   2HB   TYR  19          2HB       TYR  19  -2.568  -6.859   0.437
  135    HD1  TYR  19           HD1      TYR  19  -4.736  -5.589   0.908
  136    HD2  TYR  19           HD2      TYR  19  -0.962  -3.629   0.679
  137    HE1  TYR  19           HE1      TYR  19  -5.850  -3.406   0.659
  138    HE2  TYR  19           HE2      TYR  19  -2.069  -1.483   0.446
  139    HH   TYR  19           HH       TYR  19  -4.465  -0.779  -0.499
  140    H    CYS  20           H        CYS  20   0.790  -6.378   2.650
  141    HA   CYS  20           HA       CYS  20   1.525  -8.957   1.595
  142   1HB   CYS  20          1HB       CYS  20   3.435  -7.159   3.141
  143   2HB   CYS  20          2HB       CYS  20   3.701  -8.275   1.854
  144    H    ASN  21           H        ASN  21   1.253  -7.744   4.963
  145    HA   ASN  21           HA       ASN  21   2.601  -9.368   6.558
  146   1HB   ASN  21          1HB       ASN  21   0.599  -7.679   7.027
  147   2HB   ASN  21          2HB       ASN  21  -0.373  -9.136   7.136
  148   1HD2  ASN  21          1HD2      ASN  21   1.574 -10.336  10.006
  149   2HD2  ASN  21          2HD2      ASN  21   1.092 -10.947   8.499
  150   1H    PHE   1          1H        PHE  22  10.232   7.610  -4.559
  151   2H    PHE   1          3H        PHE  22   9.522   8.056  -3.088
  152   3H    PHE   1          2H        PHE  22   8.824   6.814  -4.023
  153    HA   PHE   1           HA       PHE  22   7.574   8.232  -5.050
  154   1HB   PHE   1          2HB       PHE  22   7.480   9.573  -3.064
  155   2HB   PHE   1          1HB       PHE  22   9.118  10.137  -3.242
  156    HD1  PHE   1           HD1      PHE  22   5.660  10.508  -4.683
  157    HD2  PHE   1           HD2      PHE  22   9.568  12.183  -4.391
  158    HE1  PHE   1           HE1      PHE  22   4.860  12.569  -5.746
  159    HE2  PHE   1           HE2      PHE  22   8.752  14.249  -5.461
  160    HZ   PHE   1           HZ       PHE  22   6.403  14.441  -6.121
  161    H    VAL   2           H        VAL  23   7.543   9.353  -7.012
  162    HA   VAL   2           HA       VAL  23  10.195  10.088  -8.240
  163    HB   VAL   2           HB       VAL  23   9.076   9.575 -10.466
  164   1HG1  VAL   2          1HG1      VAL  23   9.054   7.238  -8.506
  165   2HG1  VAL   2          3HG1      VAL  23   9.120   7.099 -10.255
  166   3HG1  VAL   2          2HG1      VAL  23  10.447   7.838  -9.386
  167   1HG2  VAL   2          1HG2      VAL  23   6.763   9.963  -9.786
  168   2HG2  VAL   2          3HG2      VAL  23   6.955   8.404 -10.560
  169   3HG2  VAL   2          2HG2      VAL  23   6.768   8.503  -8.814
  170    H    ASN   3           H        ASN  24   9.381  11.669 -10.282
  171    HA   ASN   3           HA       ASN  24   7.965  13.856  -8.817
  172   1HB   ASN   3          1HB       ASN  24   9.767  14.029 -11.266
  173   2HB   ASN   3          2HB       ASN  24   9.215  15.346 -10.238
  174   1HD2  ASN   3          1HD2      ASN  24  12.330  13.059  -9.011
  175   2HD2  ASN   3          2HD2      ASN  24  11.569  12.800 -10.505
  176    H    GLN   4           H        GLN  25   6.336  12.055  -9.563
  177    HA   GLN   4           HA       GLN  25   4.814  13.174 -11.852
  178   1HB   GLN   4          1HB       GLN  25   6.011  10.989 -12.392
  179   2HB   GLN   4          2HB       GLN  25   5.170  10.219 -11.066
  180   1HG   GLN   4          2HG       GLN  25   4.229   9.674 -13.297
  181   2HG   GLN   4          1HG       GLN  25   3.020  10.375 -12.253
  182   1HE2  GLN   4          1HE2      GLN  25   4.002  12.226 -15.709
  183   2HE2  GLN   4          2HE2      GLN  25   4.715  10.751 -15.268
  184    H    HIS   5           H        HIS  26   2.389  11.585 -11.297
  185    HA   HIS   5           HA       HIS  26   1.576  12.515  -8.731
  186   1HB   HIS   5          1HB       HIS  26   0.036  12.049 -11.368
  187   2HB   HIS   5          2HB       HIS  26  -0.596  12.878  -9.960
  188    HD1  HIS   5           HD1      HIS  26  -0.157  14.240 -12.773
  189    HD2  HIS   5           HD2      HIS  26   2.353  14.702  -9.587
  190    HE1  HIS   5           HE1      HIS  26   1.052  16.328 -13.154
  191    H    LEU   6           H        LEU  27   0.653  11.183  -7.888
  192    HA   LEU   6           HA       LEU  27   1.028   8.240  -8.062
  193   1HB   LEU   6          1HB       LEU  27   0.404  10.070  -5.767
  194   2HB   LEU   6          2HB       LEU  27   0.453   8.337  -5.546
  195    HG   LEU   6           HG       LEU  27   2.758  10.085  -6.574
  196   1HD1  LEU   6          2HD1      LEU  27   2.152  10.408  -4.167
  197   2HD1  LEU   6          1HD1      LEU  27   2.257   8.673  -3.917
  198   3HD1  LEU   6          3HD1      LEU  27   3.703   9.596  -4.315
  199   1HD2  LEU   6          1HD2      LEU  27   2.866   7.700  -7.445
  200   2HD2  LEU   6          3HD2      LEU  27   4.148   8.060  -6.307
  201   3HD2  LEU   6          2HD2      LEU  27   2.738   7.127  -5.797
  202    H    CYS   7           H        CYS  28  -0.721   7.986  -9.535
  203    HA   CYS   7           HA       CYS  28  -3.332   7.477  -8.150
  204   1HB   CYS   7          1HB       CYS  28  -2.774   8.588 -10.927
  205   2HB   CYS   7          2HB       CYS  28  -4.362   8.033 -10.507
  206    H    GLY   8           H        GLY  29  -4.420   5.564  -8.913
  207   1HA   GLY   8          1HA       GLY  29  -3.823   3.219  -8.869
  208   2HA   GLY   8          2HA       GLY  29  -4.565   3.548 -10.357
  209    H    SER   9           H        SER  30  -2.499   3.881 -12.277
  210    HA   SER   9           HA       SER  30  -1.057   1.667 -12.518
  211   1HB   SER   9          2HB       SER  30  -0.327   4.496 -13.399
  212   2HB   SER   9          1HB       SER  30   0.583   3.072 -13.905
  213    HG   SER   9           HG       SER  30  -2.155   2.775 -13.982
  214    H    HIS  10           H        HIS  31   0.122   4.205 -10.488
  215    HA   HIS  10           HA       HIS  31   2.718   2.811 -10.173
  216   1HB   HIS  10          1HB       HIS  31   2.009   5.513  -8.979
  217   2HB   HIS  10          2HB       HIS  31   3.587   4.792  -9.252
  218    HD1  HIS  10           HD1      HIS  31   0.679   5.968 -11.252
  219    HD2  HIS  10           HD2      HIS  31   4.670   5.275 -11.799
  220    HE1  HIS  10           HE1      HIS  31   1.232   6.776 -13.527
  221    H    LEU  11           H        LEU  32  -0.138   3.620  -8.221
  222    HA   LEU  11           HA       LEU  32   1.238   2.835  -5.760
  223   1HB   LEU  11          1HB       LEU  32  -1.833   2.843  -6.056
  224   2HB   LEU  11          2HB       LEU  32  -0.834   3.014  -4.642
  225    HG   LEU  11           HG       LEU  32  -0.899   5.124  -6.792
  226   1HD1  LEU  11          1HD1      LEU  32  -2.368   4.920  -4.113
  227   2HD1  LEU  11          3HD1      LEU  32  -2.358   6.321  -5.171
  228   3HD1  LEU  11          2HD1      LEU  32  -3.104   4.827  -5.706
  229   1HD2  LEU  11          2HD2      LEU  32   0.161   5.086  -3.919
  230   2HD2  LEU  11          1HD2      LEU  32   1.162   5.126  -5.374
  231   3HD2  LEU  11          3HD2      LEU  32   0.138   6.484  -4.966
  232    H    VAL  12           H        VAL  33  -0.739   1.318  -8.306
  233    HA   VAL  12           HA       VAL  33  -1.002  -1.155  -6.832
  234    HB   VAL  12           HB       VAL  33  -1.698  -0.256  -9.646
  235   1HG1  VAL  12          1HG1      VAL  33  -1.519  -3.174  -8.745
  236   2HG1  VAL  12          3HG1      VAL  33  -2.240  -2.636 -10.249
  237   3HG1  VAL  12          2HG1      VAL  33  -0.516  -2.455 -10.002
  238   1HG2  VAL  12          2HG2      VAL  33  -3.084  -1.885  -7.457
  239   2HG2  VAL  12          1HG2      VAL  33  -3.327  -0.168  -7.750
  240   3HG2  VAL  12          3HG2      VAL  33  -3.852  -1.335  -8.937
  241    H    GLU  13           H        GLU  34   1.135   0.043  -9.527
  242    HA   GLU  13           HA       GLU  34   2.522  -2.462  -9.643
  243   1HB   GLU  13          1HB       GLU  34   2.646  -0.306 -11.236
  244   2HB   GLU  13          2HB       GLU  34   4.020   0.126 -10.225
  245   1HG   GLU  13          2HG       GLU  34   5.094  -2.064 -10.761
  246   2HG   GLU  13          1HG       GLU  34   3.663  -2.567 -11.626
  247    H    ALA  14           H        ALA  35   2.872   0.261  -7.463
  248    HA   ALA  14           HA       ALA  35   5.406  -0.617  -6.343
  249   1HB   ALA  14          2HB       ALA  35   4.754   1.737  -6.306
  250   2HB   ALA  14          1HB       ALA  35   3.373   1.370  -5.288
  251   3HB   ALA  14          3HB       ALA  35   5.001   1.161  -4.671
  252    H    LEU  15           H        LEU  36   2.013  -0.843  -5.112
  253    HA   LEU  15           HA       LEU  36   2.737  -2.044  -2.639
  254   1HB   LEU  15          1HB       LEU  36   0.529  -1.112  -2.985
  255   2HB   LEU  15          2HB       LEU  36   0.032  -2.121  -4.233
  256    HG   LEU  15           HG       LEU  36  -0.009  -2.360  -1.320
  257   1HD1  LEU  15          1HD1      LEU  36  -1.726  -3.233  -3.625
  258   2HD1  LEU  15          3HD1      LEU  36  -2.186  -3.369  -1.930
  259   3HD1  LEU  15          2HD1      LEU  36  -1.890  -1.799  -2.655
  260   1HD2  LEU  15          2HD2      LEU  36   0.433  -4.856  -2.957
  261   2HD2  LEU  15          1HD2      LEU  36   1.401  -4.264  -1.606
  262   3HD2  LEU  15          3HD2      LEU  36  -0.226  -4.803  -1.318
  263    H    TYR  16           H        TYR  37   2.040  -3.440  -5.771
  264    HA   TYR  16           HA       TYR  37   2.318  -6.168  -4.924
  265   1HB   TYR  16          1HB       TYR  37   2.133  -4.688  -7.576
  266   2HB   TYR  16          2HB       TYR  37   2.293  -6.422  -7.509
  267    HD1  TYR  16           HD1      TYR  37   0.115  -3.646  -6.075
  268    HD2  TYR  16           HD2      TYR  37   0.358  -7.723  -7.231
  269    HE1  TYR  16           HE1      TYR  37  -2.258  -3.881  -5.698
  270    HE2  TYR  16           HE2      TYR  37  -2.056  -7.977  -6.829
  271    HH   TYR  16           HH       TYR  37  -4.037  -5.240  -5.740
  272    H    LEU  17           H        LEU  38   4.495  -3.650  -5.637
  273    HA   LEU  17           HA       LEU  38   6.742  -5.399  -6.379
  274   1HB   LEU  17          1HB       LEU  38   6.465  -3.222  -7.566
  275   2HB   LEU  17          2HB       LEU  38   6.585  -2.343  -6.055
  276    HG   LEU  17           HG       LEU  38   8.925  -3.055  -5.783
  277   1HD1  LEU  17          1HD1      LEU  38   8.561  -4.422  -8.479
  278   2HD1  LEU  17          3HD1      LEU  38  10.078  -4.245  -7.616
  279   3HD1  LEU  17          2HD1      LEU  38   8.801  -5.256  -6.954
  280   1HD2  LEU  17          2HD2      LEU  38   8.334  -1.860  -8.519
  281   2HD2  LEU  17          1HD2      LEU  38   8.433  -0.972  -7.014
  282   3HD2  LEU  17          3HD2      LEU  38   9.854  -1.759  -7.661
  283    H    VAL  18           H        VAL  39   5.590  -3.617  -3.556
  284    HA   VAL  18           HA       VAL  39   8.104  -3.867  -2.093
  285    HB   VAL  18           HB       VAL  39   5.319  -3.043  -1.113
  286   1HG1  VAL  18          1HG1      VAL  39   8.078  -2.780   0.183
  287   2HG1  VAL  18          3HG1      VAL  39   6.579  -2.123   0.843
  288   3HG1  VAL  18          2HG1      VAL  39   6.807  -3.856   0.713
  289   1HG2  VAL  18          2HG2      VAL  39   7.755  -1.355  -1.857
  290   2HG2  VAL  18          1HG2      VAL  39   6.286  -1.471  -2.806
  291   3HG2  VAL  18          3HG2      VAL  39   6.237  -0.742  -1.215
  292    H    CYS  19           H        CYS  40   4.939  -5.529  -1.960
  293    HA   CYS  19           HA       CYS  40   5.193  -7.097   0.297
  294   1HB   CYS  19          1HB       CYS  40   3.956  -7.656  -2.375
  295   2HB   CYS  19          2HB       CYS  40   3.902  -8.877  -1.131
  296    H    GLY  20           H        GLY  41   7.053  -7.261  -2.490
  297   1HA   GLY  20          1HA       GLY  41   9.325  -8.459  -2.239
  298   2HA   GLY  20          2HA       GLY  41   8.402  -9.767  -1.517
  299    H    GLU  21           H        GLU  42   7.528  -7.840  -4.425
  300    HA   GLU  21           HA       GLU  42   6.970  -8.502  -6.535
  301   1HB   GLU  21          1HB       GLU  42   9.053 -10.695  -5.971
  302   2HB   GLU  21          2HB       GLU  42   8.390 -10.338  -7.536
  303   1HG   GLU  21          2HG       GLU  42  10.589  -9.228  -7.336
  304   2HG   GLU  21          1HG       GLU  42   9.340  -8.000  -7.423
  305    H    ARG  22           H        ARG  43   5.162  -9.047  -4.873
  306    HA   ARG  22           HA       ARG  43   4.211 -11.844  -5.316
  307   1HB   ARG  22          1HB       ARG  43   4.600 -11.122  -2.842
  308   2HB   ARG  22          2HB       ARG  43   3.409  -9.887  -3.140
  309   1HG   ARG  22          2HG       ARG  43   2.354 -11.719  -1.943
  310   2HG   ARG  22          1HG       ARG  43   1.610 -11.478  -3.494
  311   1HD   ARG  22          2HD       ARG  43   3.685 -13.652  -2.983
  312   2HD   ARG  22          1HD       ARG  43   1.970 -13.913  -2.788
  313    HE   ARG  22           HE       ARG  43   3.358 -13.327  -5.382
  314   1HH1  ARG  22          2HH2      ARG  43   0.630 -14.700  -3.673
  315   2HH1  ARG  22          1HH2      ARG  43  -0.143 -15.153  -5.150
  316   1HH2  ARG  22          2HH1      ARG  43   2.300 -13.778  -7.193
  317   2HH2  ARG  22          1HH1      ARG  43   0.798 -14.649  -7.158
  318    H    GLY  23           H        GLY  44   1.898 -11.996  -5.694
  319   1HA   GLY  23          1HA       GLY  44   0.638  -9.540  -6.828
  320   2HA   GLY  23          2HA       GLY  44   0.696 -11.019  -7.715
  321    H    PHE  24           H        PHE  45  -0.165 -10.767  -4.269
  322    HA   PHE  24           HA       PHE  45  -2.099 -12.403  -3.809
  323   1HB   PHE  24          1HB       PHE  45  -3.339 -10.606  -2.461
  324   2HB   PHE  24          2HB       PHE  45  -1.645 -10.799  -2.145
  325    HD1  PHE  24           HD2      PHE  45  -0.159  -9.012  -3.921
  326    HD2  PHE  24           HD1      PHE  45  -4.020  -8.471  -2.167
  327    HE1  PHE  24           HE2      PHE  45   0.097  -6.612  -4.084
  328    HE2  PHE  24           HE1      PHE  45  -3.740  -6.049  -2.325
  329    HZ   PHE  24           HZ       PHE  45  -1.696  -5.133  -3.297
  330    H    PHE  25           H        PHE  46  -3.158  -9.501  -5.694
  331    HA   PHE  25           HA       PHE  46  -5.119 -11.140  -7.095
  332   1HB   PHE  25          1HB       PHE  46  -6.237 -10.251  -4.906
  333   2HB   PHE  25          2HB       PHE  46  -6.083  -8.642  -5.592
  334    HD1  PHE  25           HD2      PHE  46  -6.798 -11.142  -8.190
  335    HD2  PHE  25           HD1      PHE  46  -8.613  -8.729  -5.175
  336    HE1  PHE  25           HE2      PHE  46  -8.962 -11.431  -9.255
  337    HE2  PHE  25           HE1      PHE  46 -10.789  -9.017  -6.265
  338    HZ   PHE  25           HZ       PHE  46 -10.986 -10.363  -8.297
  339    H    TYR  26           H        TYR  47  -3.495 -10.594  -8.453
  340    HA   TYR  26           HA       TYR  47  -3.643  -9.375 -10.731
  341   1HB   TYR  26          1HB       TYR  47  -3.948  -7.020 -10.225
  342   2HB   TYR  26          2HB       TYR  47  -3.166  -7.150  -8.677
  343    HD1  TYR  26           HD1      TYR  47  -1.656  -7.900 -12.090
  344    HD2  TYR  26           HD2      TYR  47  -1.685  -5.482  -8.612
  345    HE1  TYR  26           HE1      TYR  47   0.398  -6.779 -12.828
  346    HE2  TYR  26           HE2      TYR  47   0.377  -4.377  -9.333
  347    HH   TYR  26           HH       TYR  47   1.457  -3.973 -11.787
  348    H    THR  27           H        THR  48  -2.674 -11.127 -10.665
  349    HA   THR  27           HA       THR  48  -0.043 -11.712  -9.481
  350    HB   THR  27           HB       THR  48  -1.734 -13.256  -8.873
  351    HG1  THR  27           HG1      THR  48   0.269 -14.002 -10.571
  352   1HG2  THR  27          1HG2      THR  48  -2.332 -13.607 -11.855
  353   2HG2  THR  27          3HG2      THR  48  -3.079 -14.496 -10.553
  354   3HG2  THR  27          2HG2      THR  48  -3.384 -12.780 -10.717
  355    HA   PRO  28           HA       PRO  49   0.406 -11.189 -14.126
  356   1HB   PRO  28          1HB       PRO  49   2.347  -9.392 -14.501
  357   2HB   PRO  28          2HB       PRO  49   0.728  -8.874 -13.990
  358   1HG   PRO  28          2HG       PRO  49   3.190  -9.307 -12.253
  359   2HG   PRO  28          1HG       PRO  49   2.110  -7.928 -12.273
  360   1HD   PRO  28          1HD       PRO  49   1.907  -9.899 -10.518
  361   2HD   PRO  28          2HD       PRO  49   0.415  -9.038 -11.041
  362    H    LYS  29           H        LYS  50   1.783 -12.483 -15.364
  363    HA   LYS  29           HA       LYS  50   3.812 -14.001 -13.847
  364   1HB   LYS  29          1HB       LYS  50   2.317 -14.303 -16.455
  365   2HB   LYS  29          2HB       LYS  50   3.809 -15.196 -16.257
  366   1HG   LYS  29          2HG       LYS  50   1.802 -16.498 -15.652
  367   2HG   LYS  29          1HG       LYS  50   2.884 -16.359 -14.283
  368   1HD   LYS  29          2HD       LYS  50   1.338 -14.330 -13.568
  369   2HD   LYS  29          1HD       LYS  50   0.237 -14.896 -14.805
  370   1HE   LYS  29          2HE       LYS  50  -0.354 -15.727 -12.567
  371   2HE   LYS  29          1HE       LYS  50   0.106 -17.079 -13.603
  372   1HZ   LYS  29          1HZ       LYS  50   2.401 -16.070 -12.377
  373   2HZ   LYS  29          3HZ       LYS  50   1.212 -16.248 -11.183
  374   3HZ   LYS  29          2HZ       LYS  50   1.662 -17.582 -12.138
  375    H    THR  30           H        THR  51   5.963 -13.951 -14.326
  376    HA   THR  30           HA       THR  51   6.888 -11.699 -16.084
  377    HB   THR  30           HB       THR  51   8.701 -13.018 -14.012
  378    HG1  THR  30           HG1      THR  51   6.386 -11.732 -13.465
  379   1HG2  THR  30          2HG2      THR  51   9.457 -11.125 -15.639
  380   2HG2  THR  30          1HG2      THR  51   8.241 -10.098 -14.883
  381   3HG2  THR  30          3HG2      THR  51   9.585 -10.704 -13.936
   
  No H/Q in entry =         381
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1 -10.703  -2.423   5.288
    2   2H    GLY   1          3H        GLY   1 -10.949  -4.086   5.002
    3   3H    GLY   1          2H        GLY   1 -10.535  -3.544   6.558
    4   1HA   GLY   1          2HA       GLY   1  -8.419  -3.777   6.133
    5   2HA   GLY   1          1HA       GLY   1  -8.819  -4.348   4.510
    6    H    ILE   2           H        ILE   2  -9.219  -2.644   2.845
    7    HA   ILE   2           HA       ILE   2  -7.748  -0.111   3.463
    8    HB   ILE   2           HB       ILE   2  -6.729  -0.234   1.176
    9   1HG1  ILE   2          2HG1      ILE   2  -6.639  -2.627   0.118
   10   2HG1  ILE   2          1HG1      ILE   2  -8.062  -2.973   1.049
   11   1HG2  ILE   2          2HG2      ILE   2  -5.482  -0.936   3.119
   12   2HG2  ILE   2          1HG2      ILE   2  -6.119  -2.577   3.000
   13   3HG2  ILE   2          3HG2      ILE   2  -5.060  -1.957   1.750
   14   1HD1  ILE   2          1HD       ILE   2  -7.873  -0.782  -1.025
   15   2HD1  ILE   2          3HD       ILE   2  -8.610  -2.358  -1.246
   16   3HD1  ILE   2          2HD       ILE   2  -9.325  -1.203  -0.140
   17    H    VAL   3           H        VAL   3  -7.966   1.458   1.686
   18    HA   VAL   3           HA       VAL   3 -10.758   1.608   0.630
   19    HB   VAL   3           HB       VAL   3 -10.832   3.976   1.296
   20   1HG1  VAL   3          1HG1      VAL   3  -9.964   2.260   3.641
   21   2HG1  VAL   3          3HG1      VAL   3 -10.823   3.786   3.760
   22   3HG1  VAL   3          2HG1      VAL   3 -11.594   2.402   2.991
   23   1HG2  VAL   3          2HG2      VAL   3  -8.026   3.569   2.406
   24   2HG2  VAL   3          1HG2      VAL   3  -8.444   4.537   1.001
   25   3HG2  VAL   3          3HG2      VAL   3  -8.976   5.025   2.601
   26    H    GLU   4           H        GLU   4 -10.582   3.845  -0.688
   27    HA   GLU   4           HA       GLU   4 -10.043   3.841  -3.146
   28   1HB   GLU   4          1HB       GLU   4  -8.969   5.896  -1.215
   29   2HB   GLU   4          2HB       GLU   4  -8.673   6.149  -2.908
   30   1HG   GLU   4          2HG       GLU   4 -10.732   7.304  -2.083
   31   2HG   GLU   4          1HG       GLU   4 -11.089   6.186  -3.383
   32    H    GLN   5           H        GLN   5  -8.689   1.861  -3.266
   33    HA   GLN   5           HA       GLN   5  -6.135   1.250  -3.110
   34   1HB   GLN   5          1HB       GLN   5  -7.911  -0.034  -4.317
   35   2HB   GLN   5          2HB       GLN   5  -7.698   0.982  -5.723
   36   1HG   GLN   5          2HG       GLN   5  -5.312   0.155  -5.941
   37   2HG   GLN   5          1HG       GLN   5  -5.550  -0.843  -4.521
   38   1HE2  GLN   5          1HE2      GLN   5  -6.755  -2.245  -8.076
   39   2HE2  GLN   5          2HE2      GLN   5  -5.769  -0.879  -7.902
   40    H    CYS   6           H        CYS   6  -6.988   3.902  -5.103
   41    HA   CYS   6           HA       CYS   6  -4.424   4.041  -6.522
   42   1HB   CYS   6          1HB       CYS   6  -7.073   5.173  -6.751
   43   2HB   CYS   6          2HB       CYS   6  -5.850   6.380  -6.993
   44    H    CYS   7           H        CYS   7  -6.008   5.998  -4.071
   45    HA   CYS   7           HA       CYS   7  -3.465   7.057  -3.085
   46   1HB   CYS   7          1HB       CYS   7  -4.137   8.564  -5.070
   47   2HB   CYS   7          2HB       CYS   7  -5.545   9.038  -4.155
   48    H    THR   8           H        THR   8  -4.969   5.429  -2.018
   49    HA   THR   8           HA       THR   8  -7.094   5.245  -0.631
   50    HB   THR   8           HB       THR   8  -5.860   4.180   1.240
   51    HG1  THR   8           HG1      THR   8  -4.403   5.684   1.874
   52   1HG2  THR   8          2HG2      THR   8  -5.442   3.208  -1.137
   53   2HG2  THR   8          1HG2      THR   8  -4.014   4.229  -1.231
   54   3HG2  THR   8          3HG2      THR   8  -4.090   2.951  -0.042
   55    H    SER   9           H        SER   9  -4.871   7.023   1.448
   56    HA   SER   9           HA       SER   9  -7.011   8.932   2.184
   57   1HB   SER   9          2HB       SER   9  -6.250   8.498   4.657
   58   2HB   SER   9          1HB       SER   9  -7.058   7.161   3.852
   59    HG   SER   9           HG       SER   9  -4.772   6.626   3.114
   60    H    ILE  10           H        ILE  10  -3.737   8.268   3.154
   61    HA   ILE  10           HA       ILE  10  -2.905  11.000   2.230
   62    HB   ILE  10           HB       ILE  10  -1.873   9.579   4.762
   63   1HG1  ILE  10          2HG1      ILE  10  -4.029  11.719   4.399
   64   2HG1  ILE  10          1HG1      ILE  10  -4.232  10.106   5.076
   65   1HG2  ILE  10          1HG2      ILE  10  -1.620  12.475   3.767
   66   2HG2  ILE  10          3HG2      ILE  10  -0.946  11.856   5.265
   67   3HG2  ILE  10          2HG2      ILE  10  -0.322  11.296   3.733
   68   1HD1  ILE  10          2HD       ILE  10  -2.810  10.726   7.020
   69   2HD1  ILE  10          1HD       ILE  10  -2.652  12.376   6.389
   70   3HD1  ILE  10          3HD       ILE  10  -4.210  11.760   6.863
   71    H    CYS  11           H        CYS  11  -2.959   8.880   0.794
   72    HA   CYS  11           HA       CYS  11  -1.557   6.942   0.052
   73   1HB   CYS  11          1HB       CYS  11  -0.871   9.231  -1.737
   74   2HB   CYS  11          2HB       CYS  11  -1.659   7.709  -2.105
   75    H    SER  12           H        SER  12   0.055   6.738   1.738
   76    HA   SER  12           HA       SER  12   2.748   7.795   1.105
   77   1HB   SER  12          2HB       SER  12   3.165   7.116   3.602
   78   2HB   SER  12          1HB       SER  12   1.836   8.253   3.440
   79    HG   SER  12           HG       SER  12   1.802   5.588   4.039
   80    H    LEU  13           H        LEU  13   4.395   6.286   1.085
   81    HA   LEU  13           HA       LEU  13   3.909   3.816  -0.265
   82   1HB   LEU  13          1HB       LEU  13   6.332   4.608   1.305
   83   2HB   LEU  13          2HB       LEU  13   6.289   3.328   0.126
   84    HG   LEU  13           HG       LEU  13   7.270   5.104  -1.131
   85   1HD1  LEU  13          1HD1      LEU  13   4.326   5.184  -1.791
   86   2HD1  LEU  13          3HD1      LEU  13   5.614   5.737  -2.813
   87   3HD1  LEU  13          2HD1      LEU  13   5.500   4.033  -2.409
   88   1HD2  LEU  13          1HD2      LEU  13   6.822   6.980   0.433
   89   2HD2  LEU  13          3HD2      LEU  13   6.492   7.406  -1.233
   90   3HD2  LEU  13          2HD2      LEU  13   5.172   7.076  -0.157
   91    H    TYR  14           H        TYR  14   3.863   4.796   2.991
   92    HA   TYR  14           HA       TYR  14   4.348   2.299   4.305
   93   1HB   TYR  14          1HB       TYR  14   4.561   4.538   5.413
   94   2HB   TYR  14          2HB       TYR  14   2.830   4.792   5.365
   95    HD1  TYR  14           HD1      TYR  14   5.506   2.600   6.661
   96    HD2  TYR  14           HD2      TYR  14   1.379   3.627   6.916
   97    HE1  TYR  14           HE1      TYR  14   5.281   1.231   8.676
   98    HE2  TYR  14           HE2      TYR  14   1.164   2.267   8.938
   99    HH   TYR  14           HH       TYR  14   2.243   1.107  10.495
  100    H    GLN  15           H        GLN  15   1.430   3.828   2.968
  101    HA   GLN  15           HA       GLN  15  -0.318   1.804   4.124
  102   1HB   GLN  15          1HB       GLN  15  -0.971   4.168   3.465
  103   2HB   GLN  15          2HB       GLN  15  -0.831   3.674   1.790
  104   1HG   GLN  15          2HG       GLN  15  -3.093   3.188   2.042
  105   2HG   GLN  15          1HG       GLN  15  -2.521   1.682   2.710
  106   1HE2  GLN  15          1HE2      GLN  15  -4.586   4.265   4.964
  107   2HE2  GLN  15          2HE2      GLN  15  -4.270   4.469   3.298
  108    H    LEU  16           H        LEU  16   1.896   1.976   1.497
  109    HA   LEU  16           HA       LEU  16   0.479   0.050  -0.202
  110   1HB   LEU  16          1HB       LEU  16   3.449   0.727  -0.395
  111   2HB   LEU  16          2HB       LEU  16   2.389   0.100  -1.622
  112    HG   LEU  16           HG       LEU  16   2.311   2.850  -0.401
  113   1HD1  LEU  16          2HD1      LEU  16   4.055   2.426  -2.148
  114   2HD1  LEU  16          1HD1      LEU  16   2.807   1.846  -3.248
  115   3HD1  LEU  16          3HD1      LEU  16   2.845   3.533  -2.777
  116   1HD2  LEU  16          2HD2      LEU  16   0.307   1.733  -2.348
  117   2HD2  LEU  16          1HD2      LEU  16   0.018   2.269  -0.695
  118   3HD2  LEU  16          3HD2      LEU  16   0.477   3.434  -1.889
  119    H    GLU  17           H        GLU  17   2.711   0.093   2.424
  120    HA   GLU  17           HA       GLU  17   3.834  -2.520   2.172
  121   1HB   GLU  17          1HB       GLU  17   3.225  -0.837   4.665
  122   2HB   GLU  17          2HB       GLU  17   4.202  -2.289   4.689
  123   1HG   GLU  17          2HG       GLU  17   5.888  -1.289   3.235
  124   2HG   GLU  17          1HG       GLU  17   4.864   0.087   2.907
  125    H    ASN  18           H        ASN  18   0.760  -1.333   3.028
  126    HA   ASN  18           HA       ASN  18  -0.316  -3.473   4.559
  127   1HB   ASN  18          1HB       ASN  18  -1.145  -1.066   4.345
  128   2HB   ASN  18          2HB       ASN  18  -1.777  -1.500   2.776
  129   1HD2  ASN  18          1HD2      ASN  18  -4.094  -3.751   5.000
  130   2HD2  ASN  18          2HD2      ASN  18  -2.596  -4.261   4.409
  131    H    TYR  19           H        TYR  19   0.303  -3.331   1.191
  132    HA   TYR  19           HA       TYR  19  -1.793  -5.294   0.471
  133   1HB   TYR  19          1HB       TYR  19   0.596  -4.352  -1.215
  134   2HB   TYR  19          2HB       TYR  19  -0.715  -5.370  -1.772
  135    HD1  TYR  19           HD1      TYR  19  -0.351  -2.024  -0.043
  136    HD2  TYR  19           HD2      TYR  19  -2.433  -4.303  -2.976
  137    HE1  TYR  19           HE1      TYR  19  -1.635  -0.045  -0.668
  138    HE2  TYR  19           HE2      TYR  19  -3.726  -2.320  -3.573
  139    HH   TYR  19           HH       TYR  19  -4.279   0.086  -1.961
  140    H    CYS  20           H        CYS  20   1.404  -5.466   1.722
  141    HA   CYS  20           HA       CYS  20   1.581  -8.395   1.099
  142   1HB   CYS  20          1HB       CYS  20   4.072  -6.997   2.042
  143   2HB   CYS  20          2HB       CYS  20   3.834  -8.248   0.892
  144    H    ASN  21           H        ASN  21   1.834  -5.898   3.560
  145    HA   ASN  21           HA       ASN  21   1.932  -7.864   5.763
  146   1HB   ASN  21          1HB       ASN  21   2.786  -4.947   5.569
  147   2HB   ASN  21          2HB       ASN  21   2.733  -5.822   7.086
  148   1HD2  ASN  21          1HD2      ASN  21   5.425  -7.953   5.173
  149   2HD2  ASN  21          2HD2      ASN  21   3.749  -8.237   5.126
  150   1H    PHE   1          1H        PHE  22  12.744   5.343  -5.596
  151   2H    PHE   1          3H        PHE  22  13.721   5.925  -4.337
  152   3H    PHE   1          2H        PHE  22  12.703   4.590  -4.071
  153    HA   PHE   1           HA       PHE  22  11.087   5.877  -3.413
  154   1HB   PHE   1          2HB       PHE  22  13.015   7.378  -2.737
  155   2HB   PHE   1          1HB       PHE  22  12.860   8.232  -4.253
  156    HD1  PHE   1           HD2      PHE  22  10.169   7.052  -1.885
  157    HD2  PHE   1           HD1      PHE  22  12.126  10.383  -3.686
  158    HE1  PHE   1           HE2      PHE  22   8.538   8.581  -0.860
  159    HE2  PHE   1           HE1      PHE  22  10.496  11.894  -2.648
  160    HZ   PHE   1           HZ       PHE  22   8.707  10.989  -1.246
  161    H    VAL   2           H        VAL  23   9.283   7.090  -4.190
  162    HA   VAL   2           HA       VAL  23   9.201   7.380  -7.166
  163    HB   VAL   2           HB       VAL  23   6.631   6.941  -6.747
  164   1HG1  VAL   2          1HG1      VAL  23   8.655   4.680  -6.312
  165   2HG1  VAL   2          3HG1      VAL  23   6.993   4.486  -6.828
  166   3HG1  VAL   2          2HG1      VAL  23   8.138   5.290  -7.867
  167   1HG2  VAL   2          1HG2      VAL  23   6.757   7.169  -4.260
  168   2HG2  VAL   2          3HG2      VAL  23   6.153   5.592  -4.780
  169   3HG2  VAL   2          2HG2      VAL  23   7.793   5.744  -4.194
  170    H    ASN   3           H        ASN  24   7.205   8.753  -7.735
  171    HA   ASN   3           HA       ASN  24   7.521  11.422  -6.440
  172   1HB   ASN   3          1HB       ASN  24   6.185  10.619  -9.112
  173   2HB   ASN   3          2HB       ASN  24   6.708  12.247  -8.713
  174   1HD2  ASN   3          1HD2      ASN  24   9.349   9.874 -10.472
  175   2HD2  ASN   3          2HD2      ASN  24   7.700   9.499 -10.398
  176    H    GLN   4           H        GLN  25   5.114  12.596  -6.298
  177    HA   GLN   4           HA       GLN  25   3.393  10.727  -4.811
  178   1HB   GLN   4          1HB       GLN  25   3.923  13.093  -4.101
  179   2HB   GLN   4          2HB       GLN  25   2.997  13.671  -5.475
  180   1HG   GLN   4          2HG       GLN  25   1.638  13.702  -3.403
  181   2HG   GLN   4          1HG       GLN  25   0.940  12.551  -4.523
  182   1HE2  GLN   4          1HE2      GLN  25   1.141  10.013  -2.111
  183   2HE2  GLN   4          2HE2      GLN  25   0.302  10.724  -3.410
  184    H    HIS   5           H        HIS  26   3.775  10.071  -7.600
  185    HA   HIS   5           HA       HIS  26   1.218  10.777  -8.913
  186   1HB   HIS   5          1HB       HIS  26   3.849   9.596  -9.935
  187   2HB   HIS   5          2HB       HIS  26   2.470   9.934 -10.968
  188    HD1  HIS   5           HD1      HIS  26   4.542  11.472 -12.000
  189    HD2  HIS   5           HD2      HIS  26   2.833  12.854  -8.560
  190    HE1  HIS   5           HE1      HIS  26   5.137  13.864 -11.839
  191    H    LEU   6           H        LEU  27   0.632   9.348  -6.983
  192    HA   LEU   6           HA       LEU  27   0.840   6.428  -7.602
  193   1HB   LEU   6          1HB       LEU  27  -0.023   7.860  -5.059
  194   2HB   LEU   6          2HB       LEU  27   0.191   6.129  -5.236
  195    HG   LEU   6           HG       LEU  27   2.500   8.103  -5.773
  196   1HD1  LEU   6          2HD1      LEU  27   1.750   8.385  -3.437
  197   2HD1  LEU   6          1HD1      LEU  27   1.895   6.656  -3.156
  198   3HD1  LEU   6          3HD1      LEU  27   3.322   7.625  -3.515
  199   1HD2  LEU   6          1HD2      LEU  27   2.736   5.754  -6.673
  200   2HD2  LEU   6          3HD2      LEU  27   3.903   6.111  -5.429
  201   3HD2  LEU   6          2HD2      LEU  27   2.500   5.120  -5.052
  202    H    CYS   7           H        CYS  28  -0.550   5.726  -8.692
  203    HA   CYS   7           HA       CYS  28  -2.929   4.825  -8.778
  204   1HB   CYS   7          1HB       CYS  28  -3.924   7.122  -7.959
  205   2HB   CYS   7          2HB       CYS  28  -3.416   7.799  -9.476
  206    H    GLY   8           H        GLY  29  -1.616   3.869 -10.227
  207   1HA   GLY   8          1HA       GLY  29  -1.564   3.751 -12.764
  208   2HA   GLY   8          2HA       GLY  29  -0.901   5.396 -12.652
  209    H    SER   9           H        SER  30   1.156   3.944 -13.918
  210    HA   SER   9           HA       SER  30   2.639   2.068 -13.180
  211   1HB   SER   9          2HB       SER  30   3.461   4.882 -13.939
  212   2HB   SER   9          1HB       SER  30   4.643   3.567 -13.917
  213    HG   SER   9           HG       SER  30   2.775   4.058 -15.733
  214    H    HIS  10           H        HIS  31   2.856   4.732 -10.955
  215    HA   HIS  10           HA       HIS  31   5.272   3.673  -9.729
  216   1HB   HIS  10          1HB       HIS  31   3.421   5.892  -8.898
  217   2HB   HIS  10          2HB       HIS  31   4.792   5.381  -7.916
  218    HD1  HIS  10           HD1      HIS  31   7.092   5.295  -9.440
  219    HD2  HIS  10           HD2      HIS  31   4.136   7.727 -10.836
  220    HE1  HIS  10           HE1      HIS  31   8.168   6.841 -11.001
  221    H    LEU  11           H        LEU  32   1.849   3.227  -9.179
  222    HA   LEU  11           HA       LEU  32   2.295   1.895  -6.575
  223   1HB   LEU  11          1HB       LEU  32  -0.184   2.406  -8.301
  224   2HB   LEU  11          2HB       LEU  32  -0.237   1.252  -6.982
  225    HG   LEU  11           HG       LEU  32   0.573   4.197  -6.649
  226   1HD1  LEU  11          2HD1      LEU  32  -1.761   3.953  -7.379
  227   2HD1  LEU  11          1HD1      LEU  32  -2.064   2.831  -6.062
  228   3HD1  LEU  11          3HD1      LEU  32  -1.636   4.493  -5.710
  229   1HD2  LEU  11          1HD2      LEU  32   1.351   2.624  -4.778
  230   2HD2  LEU  11          3HD2      LEU  32   0.149   3.764  -4.219
  231   3HD2  LEU  11          2HD2      LEU  32  -0.314   2.111  -4.563
  232    H    VAL  12           H        VAL  33   1.985   1.353 -10.040
  233    HA   VAL  12           HA       VAL  33   1.652  -1.530  -9.833
  234    HB   VAL  12           HB       VAL  33   2.931   0.046 -12.124
  235   1HG1  VAL  12          1HG1      VAL  33   1.817  -2.806 -12.008
  236   2HG1  VAL  12          3HG1      VAL  33   2.420  -1.998 -13.457
  237   3HG1  VAL  12          2HG1      VAL  33   3.507  -2.376 -12.148
  238   1HG2  VAL  12          2HG2      VAL  33   0.085  -0.981 -11.761
  239   2HG2  VAL  12          1HG2      VAL  33   0.579   0.709 -11.760
  240   3HG2  VAL  12          3HG2      VAL  33   0.705  -0.254 -13.229
  241    H    GLU  13           H        GLU  34   4.472   0.636 -10.266
  242    HA   GLU  13           HA       GLU  34   6.366  -1.571 -10.183
  243   1HB   GLU  13          1HB       GLU  34   7.022   1.338  -9.683
  244   2HB   GLU  13          2HB       GLU  34   8.099   0.060 -10.150
  245   1HG   GLU  13          2HG       GLU  34   7.433  -0.103 -12.326
  246   2HG   GLU  13          1HG       GLU  34   5.792   0.349 -12.017
  247    H    ALA  14           H        ALA  35   4.881   0.399  -7.702
  248    HA   ALA  14           HA       ALA  35   6.859  -0.338  -5.662
  249   1HB   ALA  14          1HB       ALA  35   4.221   1.139  -5.413
  250   2HB   ALA  14          3HB       ALA  35   5.408   0.938  -4.123
  251   3HB   ALA  14          2HB       ALA  35   5.808   1.864  -5.555
  252    H    LEU  15           H        LEU  36   3.499  -1.418  -6.402
  253    HA   LEU  15           HA       LEU  36   3.518  -3.112  -4.022
  254   1HB   LEU  15          1HB       LEU  36   1.528  -2.743  -6.337
  255   2HB   LEU  15          2HB       LEU  36   1.348  -4.036  -5.172
  256    HG   LEU  15           HG       LEU  36   1.050  -2.461  -3.357
  257   1HD1  LEU  15          1HD1      LEU  36   1.715  -0.193  -5.303
  258   2HD1  LEU  15          3HD1      LEU  36   1.168   0.009  -3.665
  259   3HD1  LEU  15          2HD1      LEU  36   2.731  -0.705  -3.971
  260   1HD2  LEU  15          2HD2      LEU  36  -0.430  -1.495  -5.837
  261   2HD2  LEU  15          1HD2      LEU  36  -0.921  -2.814  -4.780
  262   3HD2  LEU  15          3HD2      LEU  36  -0.916  -1.155  -4.187
  263    H    TYR  16           H        TYR  37   4.213  -3.411  -7.405
  264    HA   TYR  16           HA       TYR  37   4.383  -6.320  -7.406
  265   1HB   TYR  16          1HB       TYR  37   5.424  -4.222  -9.330
  266   2HB   TYR  16          2HB       TYR  37   5.659  -5.918  -9.566
  267    HD1  TYR  16           HD2      TYR  37   2.451  -4.224  -8.361
  268    HD2  TYR  16           HD1      TYR  37   4.445  -6.335 -11.492
  269    HE1  TYR  16           HE2      TYR  37   0.360  -4.461  -9.535
  270    HE2  TYR  16           HE1      TYR  37   2.317  -6.565 -12.675
  271    HH   TYR  16           HH       TYR  37  -0.670  -5.167 -11.366
  272    H    LEU  17           H        LEU  38   6.441  -3.676  -6.517
  273    HA   LEU  17           HA       LEU  38   8.835  -5.421  -6.488
  274   1HB   LEU  17          1HB       LEU  38   9.023  -3.167  -7.455
  275   2HB   LEU  17          2HB       LEU  38   8.497  -2.444  -5.946
  276    HG   LEU  17           HG       LEU  38  10.549  -3.124  -4.810
  277   1HD1  LEU  17          1HD1      LEU  38  11.306  -4.601  -7.415
  278   2HD1  LEU  17          3HD1      LEU  38  12.327  -4.462  -5.996
  279   3HD1  LEU  17          2HD1      LEU  38  10.871  -5.403  -5.918
  280   1HD2  LEU  17          1HD2      LEU  38  10.730  -1.092  -6.243
  281   2HD2  LEU  17          3HD2      LEU  38  12.255  -1.948  -6.170
  282   3HD2  LEU  17          2HD2      LEU  38  11.231  -2.086  -7.600
  283    H    VAL  18           H        VAL  39   6.463  -4.154  -4.271
  284    HA   VAL  18           HA       VAL  39   8.221  -4.741  -1.945
  285    HB   VAL  18           HB       VAL  39   5.462  -3.416  -2.163
  286   1HG1  VAL  18          2HG1      VAL  39   5.663  -4.759  -0.015
  287   2HG1  VAL  18          1HG1      VAL  39   7.163  -3.931   0.342
  288   3HG1  VAL  18          3HG1      VAL  39   5.646  -3.045   0.304
  289   1HG2  VAL  18          1HG2      VAL  39   7.491  -2.052  -2.830
  290   2HG2  VAL  18          3HG2      VAL  39   6.772  -1.444  -1.344
  291   3HG2  VAL  18          2HG2      VAL  39   8.225  -2.426  -1.284
  292    H    CYS  19           H        CYS  40   5.170  -5.972  -3.432
  293    HA   CYS  19           HA       CYS  40   5.126  -8.127  -1.379
  294   1HB   CYS  19          1HB       CYS  40   2.992  -7.544  -3.631
  295   2HB   CYS  19          2HB       CYS  40   2.985  -8.801  -2.469
  296    H    GLY  20           H        GLY  41   5.451  -7.670  -4.965
  297   1HA   GLY  20          1HA       GLY  41   6.492  -8.831  -6.549
  298   2HA   GLY  20          2HA       GLY  41   7.463  -9.626  -5.358
  299    H    GLU  21           H        GLU  42   5.297 -11.035  -4.030
  300    HA   GLU  21           HA       GLU  42   3.697 -12.455  -5.929
  301   1HB   GLU  21          1HB       GLU  42   4.976 -14.718  -5.154
  302   2HB   GLU  21          2HB       GLU  42   5.656 -13.776  -6.448
  303   1HG   GLU  21          2HG       GLU  42   7.416 -14.438  -4.879
  304   2HG   GLU  21          1HG       GLU  42   7.272 -12.702  -4.869
  305    H    ARG  22           H        ARG  43   3.097 -10.927  -3.743
  306    HA   ARG  22           HA       ARG  43   2.083 -12.968  -1.789
  307   1HB   ARG  22          1HB       ARG  43   3.883 -11.149  -1.050
  308   2HB   ARG  22          2HB       ARG  43   2.495 -10.075  -1.045
  309   1HG   ARG  22          2HG       ARG  43   2.626 -12.680   0.506
  310   2HG   ARG  22          1HG       ARG  43   3.031 -11.130   1.188
  311   1HD   ARG  22          2HD       ARG  43   0.749 -10.286   0.839
  312   2HD   ARG  22          1HD       ARG  43   0.284 -11.774   0.023
  313    HE   ARG  22           HE       ARG  43  -0.373 -11.773   2.461
  314   1HH1  ARG  22          1HH1      ARG  43   2.077 -14.577   2.937
  315   2HH1  ARG  22          2HH1      ARG  43   0.957 -14.302   1.640
  316   1HH2  ARG  22          2HH2      ARG  43   1.820 -11.205   3.989
  317   2HH2  ARG  22          1HH2      ARG  43   2.555 -12.737   4.379
  318    H    GLY  23           H        GLY  44   0.294 -13.235  -3.082
  319   1HA   GLY  23          1HA       GLY  44  -1.741 -12.557  -4.251
  320   2HA   GLY  23          2HA       GLY  44  -2.109 -12.730  -2.579
  321    H    PHE  24           H        PHE  45  -1.206  -9.795  -4.772
  322    HA   PHE  24           HA       PHE  45  -2.694  -8.278  -2.800
  323   1HB   PHE  24          1HB       PHE  45  -1.259  -6.363  -3.633
  324   2HB   PHE  24          2HB       PHE  45  -0.224  -7.691  -3.165
  325    HD1  PHE  24           HD1      PHE  45  -1.829  -5.977  -6.022
  326    HD2  PHE  24           HD2      PHE  45   1.208  -8.726  -4.854
  327    HE1  PHE  24           HE1      PHE  45  -0.910  -5.915  -8.290
  328    HE2  PHE  24           HE2      PHE  45   2.138  -8.641  -7.136
  329    HZ   PHE  24           HZ       PHE  45   1.087  -7.253  -8.851
  330    H    PHE  25           H        PHE  46  -3.920  -6.257  -4.309
  331    HA   PHE  25           HA       PHE  46  -4.813  -7.404  -6.833
  332   1HB   PHE  25          1HB       PHE  46  -6.420  -7.691  -5.030
  333   2HB   PHE  25          2HB       PHE  46  -6.355  -5.978  -4.646
  334    HD1  PHE  25           HD2      PHE  46  -6.099  -6.314  -8.208
  335    HD2  PHE  25           HD1      PHE  46  -8.905  -6.496  -5.001
  336    HE1  PHE  25           HE2      PHE  46  -7.913  -5.926  -9.777
  337    HE2  PHE  25           HE1      PHE  46 -10.723  -6.109  -6.606
  338    HZ   PHE  25           HZ       PHE  46 -10.218  -5.837  -9.006
  339    H    TYR  26           H        TYR  47  -3.234  -6.049  -7.946
  340    HA   TYR  26           HA       TYR  47  -4.223  -3.294  -8.311
  341   1HB   TYR  26          1HB       TYR  47  -2.205  -3.323  -6.589
  342   2HB   TYR  26          2HB       TYR  47  -1.185  -3.722  -7.964
  343    HD1  TYR  26           HD1      TYR  47  -3.653  -1.257  -6.689
  344    HD2  TYR  26           HD2      TYR  47  -0.663  -2.002  -9.631
  345    HE1  TYR  26           HE1      TYR  47  -3.775   1.083  -7.401
  346    HE2  TYR  26           HE2      TYR  47  -0.791   0.341 -10.322
  347    HH   TYR  26           HH       TYR  47  -1.560   2.415  -9.777
  348    H    THR  27           H        THR  48  -4.921  -4.957  -9.838
  349    HA   THR  27           HA       THR  48  -3.071  -5.339 -12.204
  350    HB   THR  27           HB       THR  48  -3.748  -7.410 -11.420
  351    HG1  THR  27           HG1      THR  48  -4.522  -8.061 -13.280
  352   1HG2  THR  27          1HG2      THR  48  -6.701  -6.590 -11.576
  353   2HG2  THR  27          3HG2      THR  48  -6.030  -8.181 -11.271
  354   3HG2  THR  27          2HG2      THR  48  -5.781  -6.910 -10.102
  355    HA   PRO  28           HA       PRO  49  -6.457  -2.039 -12.841
  356   1HB   PRO  28          1HB       PRO  49  -4.403  -0.598 -14.507
  357   2HB   PRO  28          2HB       PRO  49  -5.534  -0.001 -13.294
  358   1HG   PRO  28          2HG       PRO  49  -2.934  -0.272 -12.736
  359   2HG   PRO  28          1HG       PRO  49  -4.148  -0.578 -11.491
  360   1HD   PRO  28          1HD       PRO  49  -2.588  -2.596 -13.176
  361   2HD   PRO  28          2HD       PRO  49  -3.055  -2.558 -11.440
  362    H    LYS  29           H        LYS  50  -7.528  -3.562 -13.990
  363    HA   LYS  29           HA       LYS  50  -7.159  -3.608 -16.973
  364   1HB   LYS  29          1HB       LYS  50  -8.341  -5.725 -15.092
  365   2HB   LYS  29          2HB       LYS  50  -8.312  -5.864 -16.831
  366   1HG   LYS  29          2HG       LYS  50  -5.839  -5.749 -16.822
  367   2HG   LYS  29          1HG       LYS  50  -5.814  -5.590 -15.084
  368   1HD   LYS  29          2HD       LYS  50  -5.404  -7.890 -15.381
  369   2HD   LYS  29          1HD       LYS  50  -7.130  -7.851 -15.085
  370   1HE   LYS  29          2HE       LYS  50  -7.629  -8.125 -17.433
  371   2HE   LYS  29          1HE       LYS  50  -5.945  -7.850 -17.883
  372   1HZ   LYS  29          1HZ       LYS  50  -6.043  -9.933 -16.035
  373   2HZ   LYS  29          3HZ       LYS  50  -7.187 -10.256 -17.254
  374   3HZ   LYS  29          2HZ       LYS  50  -5.567  -9.975 -17.668
  375    H    THR  30           H        THR  51  -8.247  -1.552 -15.893
  376    HA   THR  30           HA       THR  51 -11.136  -1.784 -16.494
  377    HB   THR  30           HB       THR  51 -10.938  -1.745 -14.023
  378    HG1  THR  30           HG1      THR  51 -11.583   0.838 -14.232
  379   1HG2  THR  30          2HG2      THR  51  -8.625  -0.545 -13.911
  380   2HG2  THR  30          1HG2      THR  51  -9.443   0.938 -14.393
  381   3HG2  THR  30          3HG2      THR  51  -9.842   0.162 -12.869
   
  No H/Q in entry =         381
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  -9.508  -7.077   2.142
    2   2H    GLY   1          3H        GLY   1  -9.253  -7.945   0.707
    3   3H    GLY   1          2H        GLY   1  -8.348  -8.317   2.097
    4   1HA   GLY   1          2HA       GLY   1  -6.797  -6.905   1.522
    5   2HA   GLY   1          1HA       GLY   1  -7.714  -6.499   0.079
    6    H    ILE   2           H        ILE   2  -6.428  -4.468   0.796
    7    HA   ILE   2           HA       ILE   2  -8.163  -2.749   2.518
    8    HB   ILE   2           HB       ILE   2  -6.448  -2.444   3.740
    9   1HG1  ILE   2          2HG1      ILE   2  -4.188  -1.256   2.637
   10   2HG1  ILE   2          1HG1      ILE   2  -5.501  -0.608   1.722
   11   1HG2  ILE   2          1HG2      ILE   2  -4.600  -3.755   1.672
   12   2HG2  ILE   2          3HG2      ILE   2  -4.065  -3.363   3.297
   13   3HG2  ILE   2          2HG2      ILE   2  -5.328  -4.557   3.056
   14   1HD1  ILE   2          1HD       ILE   2  -5.256  -0.690   4.784
   15   2HD1  ILE   2          3HD       ILE   2  -5.040   0.748   3.774
   16   3HD1  ILE   2          2HD       ILE   2  -6.618   0.003   3.916
   17    H    VAL   3           H        VAL   3  -7.872  -0.527   2.160
   18    HA   VAL   3           HA       VAL   3  -8.072   0.180  -0.766
   19    HB   VAL   3           HB       VAL   3  -9.523   2.113  -0.067
   20   1HG1  VAL   3          2HG1      VAL   3 -10.617   0.010  -0.703
   21   2HG1  VAL   3          1HG1      VAL   3 -10.525  -0.564   0.963
   22   3HG1  VAL   3          3HG1      VAL   3 -11.514   0.844   0.557
   23   1HG2  VAL   3          2HG2      VAL   3  -9.331   0.857   2.715
   24   2HG2  VAL   3          1HG2      VAL   3  -8.646   2.404   2.271
   25   3HG2  VAL   3          3HG2      VAL   3 -10.379   2.190   2.294
   26    H    GLU   4           H        GLU   4  -7.868   2.521  -1.142
   27    HA   GLU   4           HA       GLU   4  -6.613   4.589  -0.185
   28   1HB   GLU   4          1HB       GLU   4  -4.777   3.704   0.921
   29   2HB   GLU   4          2HB       GLU   4  -4.338   2.486  -0.199
   30   1HG   GLU   4          2HG       GLU   4  -2.651   4.210  -0.303
   31   2HG   GLU   4          1HG       GLU   4  -3.564   4.557  -1.737
   32    H    GLN   5           H        GLN   5  -5.436   2.536  -2.839
   33    HA   GLN   5           HA       GLN   5  -4.797   3.097  -5.003
   34   1HB   GLN   5          1HB       GLN   5  -7.122   2.568  -5.050
   35   2HB   GLN   5          2HB       GLN   5  -7.608   4.166  -4.546
   36   1HG   GLN   5          2HG       GLN   5  -8.166   3.756  -6.891
   37   2HG   GLN   5          1HG       GLN   5  -6.973   5.018  -6.854
   38   1HE2  GLN   5          1HE2      GLN   5  -6.229   1.549  -8.801
   39   2HE2  GLN   5          2HE2      GLN   5  -7.740   1.896  -8.098
   40    H    CYS   6           H        CYS   6  -5.227   5.033  -6.708
   41    HA   CYS   6           HA       CYS   6  -3.476   6.668  -7.163
   42   1HB   CYS   6          1HB       CYS   6  -6.356   7.304  -7.268
   43   2HB   CYS   6          2HB       CYS   6  -5.232   8.533  -7.777
   44    H    CYS   7           H        CYS   7  -5.244   7.680  -4.385
   45    HA   CYS   7           HA       CYS   7  -3.979   8.998  -2.699
   46   1HB   CYS   7          1HB       CYS   7  -2.410  10.103  -4.511
   47   2HB   CYS   7          2HB       CYS   7  -3.786  11.010  -5.096
   48    H    THR   8           H        THR   8  -5.928   8.251  -2.414
   49    HA   THR   8           HA       THR   8  -8.166  10.133  -2.913
   50    HB   THR   8           HB       THR   8  -8.227   7.051  -2.575
   51    HG1  THR   8           HG1      THR   8  -7.208   7.841  -4.447
   52   1HG2  THR   8          1HG2      THR   8 -10.256   9.052  -3.628
   53   2HG2  THR   8          3HG2      THR   8 -10.478   7.318  -3.435
   54   3HG2  THR   8          2HG2      THR   8 -10.379   8.359  -2.020
   55    H    SER   9           H        SER   9  -6.403   8.217  -0.550
   56    HA   SER   9           HA       SER   9  -8.023   9.517   1.593
   57   1HB   SER   9          2HB       SER   9  -7.533   7.448   2.967
   58   2HB   SER   9          1HB       SER   9  -8.469   7.104   1.515
   59    HG   SER   9           HG       SER   9  -5.951   6.332   2.138
   60    H    ILE  10           H        ILE  10  -4.976   7.831   1.528
   61    HA   ILE  10           HA       ILE  10  -3.586  10.224   2.642
   62    HB   ILE  10           HB       ILE  10  -3.396   7.415   3.887
   63   1HG1  ILE  10          2HG1      ILE  10  -4.950   9.885   4.872
   64   2HG1  ILE  10          1HG1      ILE  10  -5.693   8.442   4.217
   65   1HG2  ILE  10          1HG2      ILE  10  -2.433  10.128   4.904
   66   2HG2  ILE  10          3HG2      ILE  10  -2.327   8.616   5.786
   67   3HG2  ILE  10          2HG2      ILE  10  -1.378   8.835   4.355
   68   1HD1  ILE  10          2HD       ILE  10  -4.863   7.089   6.054
   69   2HD1  ILE  10          1HD       ILE  10  -4.108   8.494   6.793
   70   3HD1  ILE  10          3HD       ILE  10  -5.849   8.428   6.616
   71    H    CYS  11           H        CYS  11  -3.554   8.851   0.059
   72    HA   CYS  11           HA       CYS  11  -1.985   7.480  -1.287
   73   1HB   CYS  11          1HB       CYS  11  -0.487   9.970  -1.523
   74   2HB   CYS  11          2HB       CYS  11  -1.567   9.211  -2.640
   75    H    SER  12           H        SER  12  -1.057   6.200   0.451
   76    HA   SER  12           HA       SER  12   1.714   6.950   1.155
   77   1HB   SER  12          2HB       SER  12   1.085   5.248   3.156
   78   2HB   SER  12          1HB       SER  12   0.463   6.893   3.155
   79    HG   SER  12           HG       SER  12  -1.449   6.140   2.330
   80    H    LEU  13           H        LEU  13   3.236   5.595   1.178
   81    HA   LEU  13           HA       LEU  13   3.257   3.307  -0.697
   82   1HB   LEU  13          1HB       LEU  13   5.520   4.948   0.499
   83   2HB   LEU  13          2HB       LEU  13   5.782   3.502  -0.433
   84    HG   LEU  13           HG       LEU  13   4.872   4.461  -2.430
   85   1HD1  LEU  13          1HD1      LEU  13   4.028   6.851  -0.715
   86   2HD1  LEU  13          3HD1      LEU  13   3.941   6.787  -2.471
   87   3HD1  LEU  13          2HD1      LEU  13   2.954   5.718  -1.524
   88   1HD2  LEU  13          1HD2      LEU  13   7.191   5.140  -1.850
   89   2HD2  LEU  13          3HD2      LEU  13   6.371   6.432  -2.719
   90   3HD2  LEU  13          2HD2      LEU  13   6.568   6.545  -0.978
   91    H    TYR  14           H        TYR  14   3.629   4.193   2.610
   92    HA   TYR  14           HA       TYR  14   4.850   1.763   3.597
   93   1HB   TYR  14          1HB       TYR  14   5.013   3.992   4.745
   94   2HB   TYR  14          2HB       TYR  14   3.301   3.977   5.107
   95    HD1  TYR  14           HD1      TYR  14   2.426   1.844   6.410
   96    HD2  TYR  14           HD2      TYR  14   6.524   2.985   6.229
   97    HE1  TYR  14           HE1      TYR  14   2.886   0.463   8.344
   98    HE2  TYR  14           HE2      TYR  14   6.989   1.586   8.210
   99    HH   TYR  14           HH       TYR  14   6.123   0.192   9.749
  100    H    GLN  15           H        GLN  15   1.796   2.982   2.767
  101    HA   GLN  15           HA       GLN  15   0.135   1.008   4.092
  102   1HB   GLN  15          1HB       GLN  15  -0.564   3.284   3.790
  103   2HB   GLN  15          2HB       GLN  15  -0.216   3.264   2.084
  104   1HG   GLN  15          2HG       GLN  15  -2.452   1.707   3.410
  105   2HG   GLN  15          1HG       GLN  15  -2.634   3.261   2.617
  106   1HE2  GLN  15          1HE2      GLN  15  -3.269   0.272   0.280
  107   2HE2  GLN  15          2HE2      GLN  15  -3.727   0.512   1.895
  108    H    LEU  16           H        LEU  16   1.824   1.403   1.029
  109    HA   LEU  16           HA       LEU  16   0.323  -0.682  -0.323
  110   1HB   LEU  16          1HB       LEU  16   3.103   0.341  -1.050
  111   2HB   LEU  16          2HB       LEU  16   2.026  -0.592  -2.070
  112    HG   LEU  16           HG       LEU  16   1.393   2.200  -1.071
  113   1HD1  LEU  16          2HD1      LEU  16   3.330   2.160  -2.665
  114   2HD1  LEU  16          1HD1      LEU  16   2.364   1.218  -3.789
  115   3HD1  LEU  16          3HD1      LEU  16   1.929   2.873  -3.434
  116   1HD2  LEU  16          1HD2      LEU  16  -0.652   0.862  -1.662
  117   2HD2  LEU  16          3HD2      LEU  16  -0.387   2.180  -2.798
  118   3HD2  LEU  16          2HD2      LEU  16   0.042   0.537  -3.233
  119    H    GLU  17           H        GLU  17   2.996  -0.391   1.853
  120    HA   GLU  17           HA       GLU  17   4.236  -2.930   1.341
  121   1HB   GLU  17          1HB       GLU  17   4.342  -0.942   3.713
  122   2HB   GLU  17          2HB       GLU  17   5.297  -2.402   3.729
  123   1HG   GLU  17          2HG       GLU  17   6.578  -1.654   1.875
  124   2HG   GLU  17          1HG       GLU  17   5.360  -0.522   1.328
  125    H    ASN  18           H        ASN  18   1.596  -1.883   3.267
  126    HA   ASN  18           HA       ASN  18   1.176  -4.021   5.022
  127   1HB   ASN  18          1HB       ASN  18  -0.082  -1.877   5.087
  128   2HB   ASN  18          2HB       ASN  18  -0.862  -2.289   3.571
  129   1HD2  ASN  18          1HD2      ASN  18  -2.519  -3.565   6.970
  130   2HD2  ASN  18          2HD2      ASN  18  -1.264  -2.424   6.939
  131    H    TYR  19           H        TYR  19   0.760  -3.926   1.652
  132    HA   TYR  19           HA       TYR  19  -1.158  -5.936   1.180
  133   1HB   TYR  19          1HB       TYR  19   1.170  -4.900  -0.518
  134   2HB   TYR  19          2HB       TYR  19   0.035  -6.090  -1.096
  135    HD1  TYR  19           HD1      TYR  19  -0.271  -2.811   0.898
  136    HD2  TYR  19           HD2      TYR  19  -1.627  -5.198  -2.374
  137    HE1  TYR  19           HE1      TYR  19  -1.829  -1.097   0.297
  138    HE2  TYR  19           HE2      TYR  19  -3.205  -3.432  -2.963
  139    HH   TYR  19           HH       TYR  19  -2.977  -0.305  -1.695
  140    H    CYS  20           H        CYS  20   2.320  -6.396   1.735
  141    HA   CYS  20           HA       CYS  20   1.858  -9.351   1.767
  142   1HB   CYS  20          1HB       CYS  20   3.859  -7.777   0.366
  143   2HB   CYS  20          2HB       CYS  20   4.259  -9.408   0.908
  144    H    ASN  21           H        ASN  21   3.465  -6.553   3.102
  145    HA   ASN  21           HA       ASN  21   4.530  -8.178   5.358
  146   1HB   ASN  21          1HB       ASN  21   5.589  -5.629   4.076
  147   2HB   ASN  21          2HB       ASN  21   6.295  -6.388   5.503
  148   1HD2  ASN  21          1HD2      ASN  21   6.937  -7.921   1.761
  149   2HD2  ASN  21          2HD2      ASN  21   5.807  -6.686   2.018
  150   1H    PHE   1          1H        PHE  22   4.125   8.888   3.554
  151   2H    PHE   1          3H        PHE  22   2.842   8.761   4.667
  152   3H    PHE   1          2H        PHE  22   2.888   7.739   3.320
  153    HA   PHE   1           HA       PHE  22   1.738   9.145   2.147
  154   1HB   PHE   1          2HB       PHE  22   0.929   9.853   4.493
  155   2HB   PHE   1          1HB       PHE  22   2.041  11.200   4.368
  156    HD1  PHE   1           HD2      PHE  22   0.741  10.596   1.059
  157    HD2  PHE   1           HD1      PHE  22  -0.347  12.276   4.844
  158    HE1  PHE   1           HE2      PHE  22  -1.010  11.860   0.002
  159    HE2  PHE   1           HE1      PHE  22  -2.116  13.547   3.729
  160    HZ   PHE   1           HZ       PHE  22  -2.447  13.347   1.313
  161    H    VAL   2           H        VAL  23   2.379  10.248   0.450
  162    HA   VAL   2           HA       VAL  23   4.722  12.097   0.635
  163    HB   VAL   2           HB       VAL  23   5.216  11.307  -1.745
  164   1HG1  VAL   2          1HG1      VAL  23   5.172   9.195   0.481
  165   2HG1  VAL   2          3HG1      VAL  23   6.199   9.143  -0.951
  166   3HG1  VAL   2          2HG1      VAL  23   6.437  10.386   0.266
  167   1HG2  VAL   2          1HG2      VAL  23   2.910  10.353  -2.219
  168   2HG2  VAL   2          3HG2      VAL  23   4.175   9.160  -2.416
  169   3HG2  VAL   2          2HG2      VAL  23   3.183   9.146  -0.972
  170    H    ASN   3           H        ASN  24   4.866  13.524  -1.352
  171    HA   ASN   3           HA       ASN  24   2.184  14.649  -2.074
  172   1HB   ASN   3          1HB       ASN  24   3.381  16.905  -2.016
  173   2HB   ASN   3          2HB       ASN  24   3.311  16.131  -0.441
  174   1HD2  ASN   3          1HD2      ASN  24   6.816  15.625  -0.208
  175   2HD2  ASN   3          2HD2      ASN  24   5.286  15.222   0.418
  176    H    GLN   4           H        GLN  25   2.800  12.890  -3.822
  177    HA   GLN   4           HA       GLN  25   4.177  14.315  -6.004
  178   1HB   GLN   4          1HB       GLN  25   5.509  12.469  -4.939
  179   2HB   GLN   4          2HB       GLN  25   4.223  11.345  -5.273
  180   1HG   GLN   4          2HG       GLN  25   4.675  11.329  -7.647
  181   2HG   GLN   4          1HG       GLN  25   5.651  12.799  -7.515
  182   1HE2  GLN   4          1HE2      GLN  25   8.431  10.641  -7.488
  183   2HE2  GLN   4          2HE2      GLN  25   7.568  11.867  -8.283
  184    H    HIS   5           H        HIS  26   3.499  12.496  -8.107
  185    HA   HIS   5           HA       HIS  26   0.545  12.710  -8.301
  186   1HB   HIS   5          1HB       HIS  26   2.764  12.693 -10.413
  187   2HB   HIS   5          2HB       HIS  26   1.052  12.814 -10.783
  188    HD1  HIS   5           HD1      HIS  26  -0.071  15.085  -9.813
  189    HD2  HIS   5           HD2      HIS  26   4.017  15.081  -9.778
  190    HE1  HIS   5           HE1      HIS  26   0.620  17.423  -9.513
  191    H    LEU   6           H        LEU  27   1.017  10.622  -6.878
  192    HA   LEU   6           HA       LEU  27   1.766   8.251  -8.474
  193   1HB   LEU   6          1HB       LEU  27   0.893   8.458  -5.584
  194   2HB   LEU   6          2HB       LEU  27   1.517   7.019  -6.343
  195    HG   LEU   6           HG       LEU  27   3.024   9.621  -5.845
  196   1HD1  LEU   6          2HD1      LEU  27   2.690   8.167  -3.868
  197   2HD1  LEU   6          1HD1      LEU  27   3.351   6.801  -4.757
  198   3HD1  LEU   6          3HD1      LEU  27   4.388   8.144  -4.358
  199   1HD2  LEU   6          2HD2      LEU  27   4.022   7.059  -7.165
  200   2HD2  LEU   6          1HD2      LEU  27   3.807   8.592  -7.992
  201   3HD2  LEU   6          3HD2      LEU  27   5.023   8.437  -6.739
  202    H    CYS   7           H        CYS  28  -0.037   8.177  -9.971
  203    HA   CYS   7           HA       CYS  28  -2.501   7.130  -8.640
  204   1HB   CYS   7          1HB       CYS  28  -2.820   9.340  -9.554
  205   2HB   CYS   7          2HB       CYS  28  -2.392   8.774 -11.147
  206    H    GLY   8           H        GLY  29  -1.191   5.128  -8.921
  207   1HA   GLY   8          1HA       GLY  29  -1.830   2.985  -9.704
  208   2HA   GLY   8          2HA       GLY  29  -2.305   3.588 -11.229
  209    H    SER   9           H        SER  30   0.070   4.591 -12.439
  210    HA   SER   9           HA       SER  30   1.682   2.576 -13.085
  211   1HB   SER   9          2HB       SER  30   3.330   4.296 -13.746
  212   2HB   SER   9          1HB       SER  30   1.654   4.817 -14.024
  213    HG   SER   9           HG       SER  30   3.482   5.861 -12.324
  214    H    HIS  10           H        HIS  31   2.189   4.499 -10.316
  215    HA   HIS  10           HA       HIS  31   4.701   3.175  -9.567
  216   1HB   HIS  10          1HB       HIS  31   3.265   5.668  -8.583
  217   2HB   HIS  10          2HB       HIS  31   4.788   5.140  -7.926
  218    HD1  HIS  10           HD1      HIS  31   4.939   7.735  -9.302
  219    HD2  HIS  10           HD2      HIS  31   5.343   4.294 -11.471
  220    HE1  HIS  10           HE1      HIS  31   6.091   8.349 -11.397
  221    H    LEU  11           H        LEU  32   1.367   3.388  -8.500
  222    HA   LEU  11           HA       LEU  32   1.982   2.237  -5.892
  223   1HB   LEU  11          1HB       LEU  32  -0.727   2.204  -7.373
  224   2HB   LEU  11          2HB       LEU  32  -0.448   2.023  -5.664
  225    HG   LEU  11           HG       LEU  32   0.326   4.578  -7.146
  226   1HD1  LEU  11          1HD1      LEU  32  -2.216   3.926  -5.614
  227   2HD1  LEU  11          3HD1      LEU  32  -1.770   5.500  -6.262
  228   3HD1  LEU  11          2HD1      LEU  32  -2.089   4.158  -7.346
  229   1HD2  LEU  11          2HD2      LEU  32  -0.141   3.986  -4.200
  230   2HD2  LEU  11          1HD2      LEU  32   1.433   4.226  -4.943
  231   3HD2  LEU  11          3HD2      LEU  32   0.278   5.546  -4.869
  232    H    VAL  12           H        VAL  33   1.434   1.222  -9.136
  233    HA   VAL  12           HA       VAL  33   0.996  -1.599  -8.571
  234    HB   VAL  12           HB       VAL  33   1.491   0.079 -11.078
  235   1HG1  VAL  12          2HG1      VAL  33   2.476  -2.229 -11.423
  236   2HG1  VAL  12          1HG1      VAL  33   0.945  -2.938 -10.933
  237   3HG1  VAL  12          3HG1      VAL  33   1.046  -1.987 -12.409
  238   1HG2  VAL  12          2HG2      VAL  33  -0.886  -1.536 -10.068
  239   2HG2  VAL  12          1HG2      VAL  33  -0.754   0.212  -9.996
  240   3HG2  VAL  12          3HG2      VAL  33  -0.851  -0.587 -11.550
  241    H    GLU  13           H        GLU  34   3.664   0.331 -10.089
  242    HA   GLU  13           HA       GLU  34   5.480  -1.888 -10.114
  243   1HB   GLU  13          1HB       GLU  34   5.681   0.523 -11.173
  244   2HB   GLU  13          2HB       GLU  34   6.591   0.880  -9.706
  245   1HG   GLU  13          2HG       GLU  34   7.217  -1.460 -11.512
  246   2HG   GLU  13          1HG       GLU  34   8.067   0.074 -11.570
  247    H    ALA  14           H        ALA  35   4.626   0.337  -7.542
  248    HA   ALA  14           HA       ALA  35   6.813  -0.432  -5.773
  249   1HB   ALA  14          1HB       ALA  35   4.237   1.072  -5.166
  250   2HB   ALA  14          3HB       ALA  35   5.603   0.913  -4.070
  251   3HB   ALA  14          2HB       ALA  35   5.791   1.799  -5.564
  252    H    LEU  15           H        LEU  36   3.288  -1.185  -5.754
  253    HA   LEU  15           HA       LEU  36   3.462  -2.817  -3.442
  254   1HB   LEU  15          1HB       LEU  36   1.368  -1.886  -4.153
  255   2HB   LEU  15          2HB       LEU  36   1.391  -2.521  -5.750
  256    HG   LEU  15           HG       LEU  36   0.838  -3.944  -3.117
  257   1HD1  LEU  15          1HD1      LEU  36  -0.764  -3.390  -5.660
  258   2HD1  LEU  15          3HD1      LEU  36  -1.378  -4.314  -4.317
  259   3HD1  LEU  15          2HD1      LEU  36  -1.012  -2.607  -4.112
  260   1HD2  LEU  15          2HD2      LEU  36   0.834  -5.257  -5.886
  261   2HD2  LEU  15          1HD2      LEU  36   1.977  -5.672  -4.610
  262   3HD2  LEU  15          3HD2      LEU  36   0.292  -5.948  -4.373
  263    H    TYR  16           H        TYR  37   3.879  -3.504  -6.841
  264    HA   TYR  16           HA       TYR  37   4.090  -6.321  -6.503
  265   1HB   TYR  16          1HB       TYR  37   4.956  -4.425  -8.724
  266   2HB   TYR  16          2HB       TYR  37   5.081  -6.134  -8.817
  267    HD1  TYR  16           HD2      TYR  37   2.092  -4.208  -7.404
  268    HD2  TYR  16           HD1      TYR  37   3.662  -6.647 -10.538
  269    HE1  TYR  16           HE2      TYR  37  -0.125  -4.407  -8.361
  270    HE2  TYR  16           HE1      TYR  37   1.403  -6.826 -11.495
  271    HH   TYR  16           HH       TYR  37  -1.434  -5.473  -9.891
  272    H    LEU  17           H        LEU  38   6.469  -3.658  -6.321
  273    HA   LEU  17           HA       LEU  38   8.813  -5.349  -6.350
  274   1HB   LEU  17          1HB       LEU  38   8.929  -2.980  -7.045
  275   2HB   LEU  17          2HB       LEU  38   8.338  -2.423  -5.512
  276    HG   LEU  17           HG       LEU  38  10.835  -2.099  -6.002
  277   1HD1  LEU  17          1HD1      LEU  38  10.119  -3.507  -3.403
  278   2HD1  LEU  17          3HD1      LEU  38  11.569  -2.576  -3.700
  279   3HD1  LEU  17          2HD1      LEU  38   9.999  -1.802  -3.752
  280   1HD2  LEU  17          2HD2      LEU  38  10.982  -5.092  -5.474
  281   2HD2  LEU  17          1HD2      LEU  38  11.401  -4.270  -6.969
  282   3HD2  LEU  17          3HD2      LEU  38  12.352  -4.005  -5.540
  283    H    VAL  18           H        VAL  39   6.547  -4.295  -3.929
  284    HA   VAL  18           HA       VAL  39   8.291  -5.116  -1.704
  285    HB   VAL  18           HB       VAL  39   5.422  -4.091  -1.732
  286   1HG1  VAL  18          1HG1      VAL  39   7.463  -4.402   0.522
  287   2HG1  VAL  18          3HG1      VAL  39   5.881  -3.666   0.669
  288   3HG1  VAL  18          2HG1      VAL  39   6.008  -5.373   0.329
  289   1HG2  VAL  18          1HG2      VAL  39   7.146  -2.469  -2.603
  290   2HG2  VAL  18          3HG2      VAL  39   6.463  -1.943  -1.080
  291   3HG2  VAL  18          2HG2      VAL  39   8.066  -2.672  -1.137
  292    H    CYS  19           H        CYS  40   5.286  -6.289  -3.213
  293    HA   CYS  19           HA       CYS  40   4.853  -8.448  -1.353
  294   1HB   CYS  19          1HB       CYS  40   3.580  -7.412  -3.811
  295   2HB   CYS  19          2HB       CYS  40   3.403  -9.125  -3.531
  296    H    GLY  20           H        GLY  41   6.198  -8.411  -4.697
  297   1HA   GLY  20          1HA       GLY  41   7.741  -9.983  -5.602
  298   2HA   GLY  20          2HA       GLY  41   7.598 -10.935  -4.117
  299    H    GLU  21           H        GLU  42   4.757  -9.739  -5.548
  300    HA   GLU  21           HA       GLU  42   2.884 -10.659  -6.495
  301   1HB   GLU  21          1HB       GLU  42   5.036 -12.349  -7.877
  302   2HB   GLU  21          2HB       GLU  42   3.343 -12.413  -8.316
  303   1HG   GLU  21          2HG       GLU  42   4.636 -10.834  -9.768
  304   2HG   GLU  21          1HG       GLU  42   3.331 -10.031  -8.930
  305    H    ARG  22           H        ARG  43   3.012 -11.256  -4.135
  306    HA   ARG  22           HA       ARG  43   2.303 -14.144  -3.766
  307   1HB   ARG  22          1HB       ARG  43   4.315 -13.406  -2.352
  308   2HB   ARG  22          2HB       ARG  43   3.320 -12.114  -1.701
  309   1HG   ARG  22          2HG       ARG  43   1.707 -13.863  -0.812
  310   2HG   ARG  22          1HG       ARG  43   2.850 -15.097  -1.300
  311   1HD   ARG  22          2HD       ARG  43   4.504 -14.314   0.318
  312   2HD   ARG  22          1HD       ARG  43   3.634 -12.803   0.565
  313    HE   ARG  22           HE       ARG  43   1.786 -14.191   1.579
  314   1HH1  ARG  22          2HH1      ARG  43   2.328 -16.893   1.448
  315   2HH1  ARG  22          1HH1      ARG  43   3.341 -17.258   2.807
  316   1HH2  ARG  22          2HH2      ARG  43   4.235 -13.898   3.270
  317   2HH2  ARG  22          1HH2      ARG  43   4.453 -15.501   3.889
  318    H    GLY  23           H        GLY  44   0.311 -14.435  -3.086
  319   1HA   GLY  23          1HA       GLY  44  -2.026 -13.688  -3.327
  320   2HA   GLY  23          2HA       GLY  44  -1.570 -13.742  -1.673
  321    H    PHE  24           H        PHE  45  -1.432 -10.956  -4.177
  322    HA   PHE  24           HA       PHE  45  -2.473  -9.355  -1.937
  323   1HB   PHE  24          1HB       PHE  45  -0.874  -7.560  -2.739
  324   2HB   PHE  24          2HB       PHE  45  -0.083  -9.069  -2.791
  325    HD1  PHE  24           HD1      PHE  45  -2.298  -7.418  -5.382
  326    HD2  PHE  24           HD2      PHE  45   1.498  -9.091  -4.443
  327    HE1  PHE  24           HE1      PHE  45  -1.575  -7.040  -7.676
  328    HE2  PHE  24           HE2      PHE  45   2.220  -8.709  -6.747
  329    HZ   PHE  24           HZ       PHE  45   0.705  -7.696  -8.372
  330    H    PHE  25           H        PHE  46  -3.632  -7.195  -3.494
  331    HA   PHE  25           HA       PHE  46  -5.430  -8.514  -5.428
  332   1HB   PHE  25          1HB       PHE  46  -7.330  -7.391  -4.247
  333   2HB   PHE  25          2HB       PHE  46  -6.294  -8.078  -3.031
  334    HD1  PHE  25           HD2      PHE  46  -7.095  -4.887  -4.770
  335    HD2  PHE  25           HD1      PHE  46  -5.037  -6.697  -1.483
  336    HE1  PHE  25           HE2      PHE  46  -6.659  -2.682  -3.822
  337    HE2  PHE  25           HE1      PHE  46  -4.616  -4.472  -0.552
  338    HZ   PHE  25           HZ       PHE  46  -5.436  -2.469  -1.718
  339    H    TYR  26           H        TYR  47  -6.278  -7.025  -6.947
  340    HA   TYR  26           HA       TYR  47  -6.461  -4.805  -7.984
  341   1HB   TYR  26          1HB       TYR  47  -4.517  -3.798  -6.554
  342   2HB   TYR  26          2HB       TYR  47  -3.403  -4.654  -7.605
  343    HD1  TYR  26           HD1      TYR  47  -6.287  -2.238  -7.756
  344    HD2  TYR  26           HD2      TYR  47  -2.661  -3.576  -9.570
  345    HE1  TYR  26           HE1      TYR  47  -6.383  -0.383  -9.331
  346    HE2  TYR  26           HE2      TYR  47  -2.789  -1.717 -11.156
  347    HH   TYR  26           HH       TYR  47  -5.542   0.270 -11.500
  348    H    THR  27           H        THR  48  -6.891  -6.889  -9.141
  349    HA   THR  27           HA       THR  48  -4.875  -7.429 -11.306
  350    HB   THR  27           HB       THR  48  -5.715  -9.750 -11.346
  351    HG1  THR  27           HG1      THR  48  -7.693  -9.836 -10.623
  352   1HG2  THR  27          2HG2      THR  48  -3.984  -9.071  -9.538
  353   2HG2  THR  27          1HG2      THR  48  -5.334  -8.810  -8.441
  354   3HG2  THR  27          3HG2      THR  48  -5.018 -10.412  -9.071
  355    HA   PRO  28           HA       PRO  49  -9.062  -5.050 -12.238
  356   1HB   PRO  28          1HB       PRO  49  -7.375  -4.709 -14.726
  357   2HB   PRO  28          2HB       PRO  49  -8.680  -3.693 -14.108
  358   1HG   PRO  28          2HG       PRO  49  -6.157  -3.107 -13.440
  359   2HG   PRO  28          1HG       PRO  49  -7.431  -2.944 -12.229
  360   1HD   PRO  28          1HD       PRO  49  -5.292  -4.893 -12.530
  361   2HD   PRO  28          2HD       PRO  49  -6.188  -4.544 -11.005
  362    H    LYS  29           H        LYS  50 -10.547  -6.602 -12.254
  363    HA   LYS  29           HA       LYS  50 -10.786  -8.506 -14.535
  364   1HB   LYS  29          1HB       LYS  50 -11.096  -9.518 -12.321
  365   2HB   LYS  29          2HB       LYS  50 -12.197  -8.244 -11.813
  366   1HG   LYS  29          2HG       LYS  50 -13.839  -9.045 -13.547
  367   2HG   LYS  29          1HG       LYS  50 -12.698 -10.294 -14.019
  368   1HD   LYS  29          2HD       LYS  50 -12.894 -11.371 -11.750
  369   2HD   LYS  29          1HD       LYS  50 -14.028 -10.119 -11.255
  370   1HE   LYS  29          2HE       LYS  50 -15.688 -10.824 -12.838
  371   2HE   LYS  29          1HE       LYS  50 -14.546 -11.833 -13.712
  372   1HZ   LYS  29          1HZ       LYS  50 -14.670 -12.725 -11.045
  373   2HZ   LYS  29          3HZ       LYS  50 -16.250 -12.558 -11.647
  374   3HZ   LYS  29          2HZ       LYS  50 -15.138 -13.516 -12.471
  375    H    THR  30           H        THR  51 -11.782  -7.699 -16.180
  376    HA   THR  30           HA       THR  51 -14.003  -5.728 -15.823
  377    HB   THR  30           HB       THR  51 -11.967  -5.907 -18.128
  378    HG1  THR  30           HG1      THR  51 -11.947  -3.724 -16.529
  379   1HG2  THR  30          1HG2      THR  51 -13.887  -3.636 -17.334
  380   2HG2  THR  30          3HG2      THR  51 -12.773  -3.647 -18.683
  381   3HG2  THR  30          2HG2      THR  51 -14.173  -4.701 -18.714
   
  No H/Q in entry =         381
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  -6.990   4.730   0.684
    2   2H    GLY   1          3H        GLY   1  -8.631   4.688   1.100
    3   3H    GLY   1          2H        GLY   1  -7.512   5.575   2.021
    4   1HA   GLY   1          2HA       GLY   1  -7.235   3.877   3.364
    5   2HA   GLY   1          1HA       GLY   1  -8.327   2.914   2.372
    6    H    ILE   2           H        ILE   2  -7.308   2.207   0.256
    7    HA   ILE   2           HA       ILE   2  -4.577   1.045   0.709
    8    HB   ILE   2           HB       ILE   2  -6.620   0.010  -1.319
    9   1HG1  ILE   2          2HG1      ILE   2  -7.081  -1.831   0.612
   10   2HG1  ILE   2          1HG1      ILE   2  -6.466  -0.614   1.692
   11   1HG2  ILE   2          2HG2      ILE   2  -4.329  -0.970  -1.412
   12   2HG2  ILE   2          1HG2      ILE   2  -4.483  -1.416   0.276
   13   3HG2  ILE   2          3HG2      ILE   2  -5.533  -2.135  -0.925
   14   1HD1  ILE   2          2HD       ILE   2  -8.399   0.898   1.079
   15   2HD1  ILE   2          1HD       ILE   2  -8.952  -0.318  -0.047
   16   3HD1  ILE   2          3HD       ILE   2  -8.921  -0.654   1.670
   17    H    VAL   3           H        VAL   3  -3.993   0.568  -1.913
   18    HA   VAL   3           HA       VAL   3  -3.880   3.328  -3.078
   19    HB   VAL   3           HB       VAL   3  -1.862   2.436  -4.377
   20   1HG1  VAL   3          1HG1      VAL   3  -1.731   2.367  -1.384
   21   2HG1  VAL   3          3HG1      VAL   3  -0.390   2.572  -2.483
   22   3HG1  VAL   3          2HG1      VAL   3  -1.633   3.795  -2.414
   23   1HG2  VAL   3          2HG2      VAL   3  -2.141   0.047  -2.510
   24   2HG2  VAL   3          1HG2      VAL   3  -2.379   0.014  -4.234
   25   3HG2  VAL   3          3HG2      VAL   3  -0.792   0.386  -3.589
   26    H    GLU   4           H        GLU   4  -3.131   2.994  -5.410
   27    HA   GLU   4           HA       GLU   4  -3.405   2.248  -7.561
   28   1HB   GLU   4          1HB       GLU   4  -5.684   0.557  -6.410
   29   2HB   GLU   4          2HB       GLU   4  -5.909   1.285  -7.931
   30   1HG   GLU   4          2HG       GLU   4  -4.911  -0.987  -8.136
   31   2HG   GLU   4          1HG       GLU   4  -3.814   0.215  -8.784
   32    H    GLN   5           H        GLN   5  -6.039   3.569  -5.727
   33    HA   GLN   5           HA       GLN   5  -6.893   5.274  -8.027
   34   1HB   GLN   5          1HB       GLN   5  -8.675   4.186  -6.635
   35   2HB   GLN   5          2HB       GLN   5  -8.077   5.003  -5.219
   36   1HG   GLN   5          2HG       GLN   5  -8.480   7.245  -6.590
   37   2HG   GLN   5          1HG       GLN   5  -9.366   6.239  -7.708
   38   1HE2  GLN   5          1HE2      GLN   5 -12.252   6.170  -5.726
   39   2HE2  GLN   5          2HE2      GLN   5 -11.517   5.763  -7.203
   40    H    CYS   6           H        CYS   6  -5.069   6.396  -8.115
   41    HA   CYS   6           HA       CYS   6  -3.289   7.744  -7.323
   42   1HB   CYS   6          1HB       CYS   6  -5.759   9.404  -7.602
   43   2HB   CYS   6          2HB       CYS   6  -4.152  10.030  -7.553
   44    H    CYS   7           H        CYS   7  -3.024   6.974  -5.125
   45    HA   CYS   7           HA       CYS   7  -2.770   7.235  -2.831
   46   1HB   CYS   7          1HB       CYS   7  -1.165   8.888  -3.932
   47   2HB   CYS   7          2HB       CYS   7  -2.366  10.123  -3.650
   48    H    THR   8           H        THR   8  -5.090   7.003  -3.275
   49    HA   THR   8           HA       THR   8  -7.296   8.342  -2.942
   50    HB   THR   8           HB       THR   8  -8.105   6.646  -1.182
   51    HG1  THR   8           HG1      THR   8  -5.877   5.214  -1.019
   52   1HG2  THR   8          2HG2      THR   8  -7.819   6.017  -3.599
   53   2HG2  THR   8          1HG2      THR   8  -6.179   5.469  -3.269
   54   3HG2  THR   8          3HG2      THR   8  -7.543   4.661  -2.527
   55    H    SER   9           H        SER   9  -5.403   7.832  -0.082
   56    HA   SER   9           HA       SER   9  -6.437  10.345   1.116
   57   1HB   SER   9          2HB       SER   9  -6.346   9.061   3.351
   58   2HB   SER   9          1HB       SER   9  -7.458   8.388   2.170
   59    HG   SER   9           HG       SER   9  -5.805   6.994   1.464
   60    H    ILE  10           H        ILE  10  -3.848   8.172   2.016
   61    HA   ILE  10           HA       ILE  10  -1.904  10.448   1.750
   62    HB   ILE  10           HB       ILE  10  -2.102   8.711   4.263
   63   1HG1  ILE  10          2HG1      ILE  10  -3.048  11.587   3.799
   64   2HG1  ILE  10          1HG1      ILE  10  -4.094  10.204   4.012
   65   1HG2  ILE  10          1HG2      ILE  10  -0.489  11.276   3.755
   66   2HG2  ILE  10          3HG2      ILE  10  -0.604  10.450   5.288
   67   3HG2  ILE  10          2HG2      ILE  10   0.210   9.677   3.965
   68   1HD1  ILE  10          2HD       ILE  10  -3.257   9.880   6.318
   69   2HD1  ILE  10          1HD       ILE  10  -2.230  11.295   6.146
   70   3HD1  ILE  10          3HD       ILE  10  -3.959  11.471   6.060
   71    H    CYS  11           H        CYS  11  -2.350   7.312   0.858
   72    HA   CYS  11           HA       CYS  11  -0.855   5.452   0.596
   73   1HB   CYS  11          1HB       CYS  11   0.360   5.923  -1.487
   74   2HB   CYS  11          2HB       CYS  11  -1.254   6.546  -1.509
   75    H    SER  12           H        SER  12   0.332   5.387   2.683
   76    HA   SER  12           HA       SER  12   3.051   6.503   2.716
   77   1HB   SER  12          2HB       SER  12   2.941   5.901   5.181
   78   2HB   SER  12          1HB       SER  12   1.466   6.742   4.696
   79    HG   SER  12           HG       SER  12   1.164   4.183   4.086
   80    H    LEU  13           H        LEU  13   4.743   5.326   2.920
   81    HA   LEU  13           HA       LEU  13   5.221   3.041   1.492
   82   1HB   LEU  13          1HB       LEU  13   7.030   3.176   3.861
   83   2HB   LEU  13          2HB       LEU  13   7.373   3.105   2.175
   84    HG   LEU  13           HG       LEU  13   6.554   5.624   2.109
   85   1HD1  LEU  13          1HD1      LEU  13   7.272   5.274   5.055
   86   2HD1  LEU  13          3HD1      LEU  13   7.035   6.813   4.244
   87   3HD1  LEU  13          2HD1      LEU  13   5.685   5.712   4.469
   88   1HD2  LEU  13          2HD2      LEU  13   9.187   4.836   3.436
   89   2HD2  LEU  13          1HD2      LEU  13   8.924   4.909   1.704
   90   3HD2  LEU  13          3HD2      LEU  13   8.878   6.376   2.648
   91    H    TYR  14           H        TYR  14   4.285   2.909   4.860
   92    HA   TYR  14           HA       TYR  14   4.885   0.032   5.009
   93   1HB   TYR  14          1HB       TYR  14   4.743   1.682   7.050
   94   2HB   TYR  14          2HB       TYR  14   3.010   1.478   6.972
   95    HD1  TYR  14           HD1      TYR  14   6.190  -0.236   7.629
   96    HD2  TYR  14           HD2      TYR  14   1.950  -0.694   7.496
   97    HE1  TYR  14           HE1      TYR  14   6.369  -2.345   8.849
   98    HE2  TYR  14           HE2      TYR  14   2.125  -2.784   8.702
   99    HH   TYR  14           HH       TYR  14   3.627  -4.061  10.074
  100    H    GLN  15           H        GLN  15   2.163   2.110   4.214
  101    HA   GLN  15           HA       GLN  15   0.109   0.131   4.316
  102   1HB   GLN  15          1HB       GLN  15  -0.123   2.730   3.985
  103   2HB   GLN  15          2HB       GLN  15   0.240   2.453   2.287
  104   1HG   GLN  15          2HG       GLN  15  -1.691   0.909   2.124
  105   2HG   GLN  15          1HG       GLN  15  -2.165   1.403   3.748
  106   1HE2  GLN  15          1HE2      GLN  15  -3.051   3.769   0.650
  107   2HE2  GLN  15          2HE2      GLN  15  -2.566   2.135   0.525
  108    H    LEU  16           H        LEU  16   2.725   0.934   2.068
  109    HA   LEU  16           HA       LEU  16   1.726  -0.774  -0.082
  110   1HB   LEU  16          1HB       LEU  16   3.236   1.331  -0.271
  111   2HB   LEU  16          2HB       LEU  16   4.598   0.388   0.244
  112    HG   LEU  16           HG       LEU  16   4.174  -1.191  -1.646
  113   1HD1  LEU  16          1HD1      LEU  16   2.276   1.067  -2.541
  114   2HD1  LEU  16          3HD1      LEU  16   2.767  -0.266  -3.566
  115   3HD1  LEU  16          2HD1      LEU  16   1.776  -0.569  -2.169
  116   1HD2  LEU  16          1HD2      LEU  16   5.885   0.665  -1.726
  117   2HD2  LEU  16          3HD2      LEU  16   5.197   0.373  -3.309
  118   3HD2  LEU  16          2HD2      LEU  16   4.655   1.747  -2.366
  119    H    GLU  17           H        GLU  17   3.890  -1.063   2.675
  120    HA   GLU  17           HA       GLU  17   4.832  -3.709   1.940
  121   1HB   GLU  17          1HB       GLU  17   4.868  -2.294   4.635
  122   2HB   GLU  17          2HB       GLU  17   5.771  -3.747   4.242
  123   1HG   GLU  17          2HG       GLU  17   7.134  -2.549   2.602
  124   2HG   GLU  17          1HG       GLU  17   6.169  -1.100   2.787
  125    H    ASN  18           H        ASN  18   1.920  -2.520   3.317
  126    HA   ASN  18           HA       ASN  18   1.478  -4.991   4.860
  127   1HB   ASN  18          1HB       ASN  18   0.479  -2.617   5.421
  128   2HB   ASN  18          2HB       ASN  18  -0.753  -3.033   4.237
  129   1HD2  ASN  18          1HD2      ASN  18  -2.463  -5.034   6.565
  130   2HD2  ASN  18          2HD2      ASN  18  -2.530  -4.060   5.176
  131    H    TYR  19           H        TYR  19   1.782  -4.657   1.810
  132    HA   TYR  19           HA       TYR  19  -0.608  -6.239   0.930
  133   1HB   TYR  19          1HB       TYR  19   1.508  -4.799  -0.730
  134   2HB   TYR  19          2HB       TYR  19   0.042  -5.545  -1.345
  135    HD1  TYR  19           HD2      TYR  19  -1.719  -4.350   1.103
  136    HD2  TYR  19           HD1      TYR  19   0.960  -2.679  -1.763
  137    HE1  TYR  19           HE2      TYR  19  -2.858  -2.216   1.269
  138    HE2  TYR  19           HE1      TYR  19  -0.213  -0.537  -1.588
  139    HH   TYR  19           HH       TYR  19  -1.655   0.614  -0.565
  140    H    CYS  20           H        CYS  20   2.364  -6.675   2.151
  141    HA   CYS  20           HA       CYS  20   3.064  -8.993   0.415
  142   1HB   CYS  20          1HB       CYS  20   4.949  -7.657   2.394
  143   2HB   CYS  20          2HB       CYS  20   5.293  -8.560   0.965
  144    H    ASN  21           H        ASN  21   2.332  -7.912   3.700
  145    HA   ASN  21           HA       ASN  21   2.152 -10.756   4.566
  146   1HB   ASN  21          1HB       ASN  21   2.964 -10.076   6.807
  147   2HB   ASN  21          2HB       ASN  21   4.190  -9.743   5.597
  148   1HD2  ASN  21          1HD2      ASN  21   2.644  -6.147   6.241
  149   2HD2  ASN  21          2HD2      ASN  21   1.924  -7.271   5.195
  150   1H    PHE   1          1H        PHE  22   6.638   8.927   4.133
  151   2H    PHE   1          3H        PHE  22   6.543   8.925   5.826
  152   3H    PHE   1          2H        PHE  22   5.492   7.947   4.920
  153    HA   PHE   1           HA       PHE  22   4.028   9.548   4.791
  154   1HB   PHE   1          2HB       PHE  22   4.716  10.219   7.009
  155   2HB   PHE   1          1HB       PHE  22   6.125  11.087   6.409
  156    HD1  PHE   1           HD2      PHE  22   2.405  11.040   5.687
  157    HD2  PHE   1           HD1      PHE  22   5.885  13.393   6.426
  158    HE1  PHE   1           HE2      PHE  22   1.070  13.086   5.475
  159    HE2  PHE   1           HE1      PHE  22   4.547  15.435   6.209
  160    HZ   PHE   1           HZ       PHE  22   2.128  15.291   5.736
  161    H    VAL   2           H        VAL  23   3.991   9.818   2.578
  162    HA   VAL   2           HA       VAL  23   5.462  12.195   1.477
  163    HB   VAL   2           HB       VAL  23   5.375  11.044  -0.738
  164   1HG1  VAL   2          1HG1      VAL  23   6.698   9.410   1.479
  165   2HG1  VAL   2          3HG1      VAL  23   7.121   9.341  -0.228
  166   3HG1  VAL   2          2HG1      VAL  23   7.376  10.820   0.680
  167   1HG2  VAL   2          2HG2      VAL  23   4.280   8.660   0.835
  168   2HG2  VAL   2          1HG2      VAL  23   3.391   9.588  -0.359
  169   3HG2  VAL   2          3HG2      VAL  23   4.757   8.624  -0.853
  170    H    ASN   3           H        ASN  24   4.324  13.369  -0.154
  171    HA   ASN   3           HA       ASN  24   1.346  13.047  -0.214
  172   1HB   ASN   3          1HB       ASN  24   2.187  14.623   1.616
  173   2HB   ASN   3          2HB       ASN  24   2.834  15.658   0.365
  174   1HD2  ASN   3          1HD2      ASN  24  -1.103  15.734  -0.327
  175   2HD2  ASN   3          2HD2      ASN  24  -0.095  14.489  -0.884
  176    H    GLN   4           H        GLN  25   3.156  12.252  -2.057
  177    HA   GLN   4           HA       GLN  25   3.200  14.214  -4.335
  178   1HB   GLN   4          1HB       GLN  25   5.323  13.386  -3.754
  179   2HB   GLN   4          2HB       GLN  25   4.793  11.723  -3.633
  180   1HG   GLN   4          2HG       GLN  25   4.570  11.658  -6.157
  181   2HG   GLN   4          1HG       GLN  25   5.027  13.341  -6.236
  182   1HE2  GLN   4          1HE2      GLN  25   8.397  12.292  -6.411
  183   2HE2  GLN   4          2HE2      GLN  25   7.194  13.344  -6.976
  184    H    HIS   5           H        HIS  26   0.583  13.143  -3.777
  185    HA   HIS   5           HA       HIS  26  -0.661  11.068  -4.403
  186   1HB   HIS   5          1HB       HIS  26  -1.137  13.673  -5.929
  187   2HB   HIS   5          2HB       HIS  26  -2.264  12.333  -5.911
  188    HD1  HIS   5           HD1      HIS  26  -3.939  13.798  -4.651
  189    HD2  HIS   5           HD2      HIS  26  -0.550  13.209  -2.452
  190    HE1  HIS   5           HE1      HIS  26  -4.452  14.528  -2.331
  191    H    LEU   6           H        LEU  27   0.711   9.825  -5.165
  192    HA   LEU   6           HA       LEU  27   1.493   9.580  -8.007
  193   1HB   LEU   6          1HB       LEU  27   1.460   7.300  -5.944
  194   2HB   LEU   6          2HB       LEU  27   2.348   7.333  -7.441
  195    HG   LEU   6           HG       LEU  27   3.423   9.520  -6.283
  196   1HD1  LEU   6          2HD1      LEU  27   2.019   9.272  -4.163
  197   2HD1  LEU   6          1HD1      LEU  27   2.680   7.666  -3.960
  198   3HD1  LEU   6          3HD1      LEU  27   3.726   9.068  -3.835
  199   1HD2  LEU   6          1HD2      LEU  27   4.682   7.520  -7.081
  200   2HD2  LEU   6          3HD2      LEU  27   5.276   8.080  -5.528
  201   3HD2  LEU   6          2HD2      LEU  27   4.238   6.658  -5.610
  202    H    CYS   7           H        CYS  28   0.477   8.249  -9.589
  203    HA   CYS   7           HA       CYS  28  -2.251   7.310  -8.827
  204   1HB   CYS   7          1HB       CYS  28  -1.164   8.474 -11.368
  205   2HB   CYS   7          2HB       CYS  28  -2.692   7.647 -11.348
  206    H    GLY   8           H        GLY  29  -2.994   5.521  -9.259
  207   1HA   GLY   8          1HA       GLY  29  -2.370   3.194  -9.013
  208   2HA   GLY   8          2HA       GLY  29  -3.288   3.412 -10.450
  209    H    SER   9           H        SER  30  -1.235   4.003 -12.395
  210    HA   SER   9           HA       SER  30  -0.020   1.559 -12.851
  211   1HB   SER   9          2HB       SER  30   0.696   4.362 -13.817
  212   2HB   SER   9          1HB       SER  30   1.418   2.896 -14.505
  213    HG   SER   9           HG       SER  30  -1.062   3.900 -14.830
  214    H    HIS  10           H        HIS  31   1.316   4.050 -10.887
  215    HA   HIS  10           HA       HIS  31   3.954   2.717 -10.738
  216   1HB   HIS  10          1HB       HIS  31   3.019   5.374  -9.577
  217   2HB   HIS  10          2HB       HIS  31   4.689   4.796  -9.680
  218    HD1  HIS  10           HD1      HIS  31   1.822   5.396 -12.005
  219    HD2  HIS  10           HD2      HIS  31   5.904   5.414 -12.174
  220    HE1  HIS  10           HE1      HIS  31   2.425   6.120 -14.308
  221    H    LEU  11           H        LEU  32   0.998   3.136  -8.979
  222    HA   LEU  11           HA       LEU  32   2.168   2.283  -6.407
  223   1HB   LEU  11          1HB       LEU  32  -0.776   2.384  -7.326
  224   2HB   LEU  11          2HB       LEU  32  -0.246   1.891  -5.743
  225    HG   LEU  11           HG       LEU  32  -1.051   4.232  -5.755
  226   1HD1  LEU  11          2HD1      LEU  32   0.703   3.690  -4.109
  227   2HD1  LEU  11          1HD1      LEU  32   1.965   4.117  -5.260
  228   3HD1  LEU  11          3HD1      LEU  32   0.854   5.341  -4.671
  229   1HD2  LEU  11          1HD2      LEU  32  -0.499   4.757  -8.053
  230   2HD2  LEU  11          3HD2      LEU  32   0.124   5.964  -6.943
  231   3HD2  LEU  11          2HD2      LEU  32   1.212   4.826  -7.685
  232    H    VAL  12           H        VAL  33   0.865   0.950  -9.354
  233    HA   VAL  12           HA       VAL  33   0.546  -1.740  -8.268
  234    HB   VAL  12           HB       VAL  33  -0.523  -0.387 -10.427
  235   1HG1  VAL  12          1HG1      VAL  33   1.272  -2.536 -11.626
  236   2HG1  VAL  12          3HG1      VAL  33  -0.030  -1.718 -12.461
  237   3HG1  VAL  12          2HG1      VAL  33   1.389  -0.816 -11.956
  238   1HG2  VAL  12          2HG2      VAL  33  -0.412  -3.370  -9.854
  239   2HG2  VAL  12          1HG2      VAL  33  -1.547  -2.223  -9.155
  240   3HG2  VAL  12          3HG2      VAL  33  -1.618  -2.588 -10.879
  241    H    GLU  13           H        GLU  34   2.872  -0.040 -10.484
  242    HA   GLU  13           HA       GLU  34   4.517  -2.330 -10.894
  243   1HB   GLU  13          1HB       GLU  34   4.691   0.109 -11.950
  244   2HB   GLU  13          2HB       GLU  34   5.924   0.359 -10.726
  245   1HG   GLU  13          2HG       GLU  34   5.925  -1.766 -12.893
  246   2HG   GLU  13          1HG       GLU  34   7.068  -0.466 -12.677
  247    H    ALA  14           H        ALA  35   4.304   0.073  -8.300
  248    HA   ALA  14           HA       ALA  35   6.641  -0.729  -6.860
  249   1HB   ALA  14          2HB       ALA  35   5.711   1.514  -6.765
  250   2HB   ALA  14          1HB       ALA  35   4.218   0.911  -6.054
  251   3HB   ALA  14          3HB       ALA  35   5.736   0.827  -5.167
  252    H    LEU  15           H        LEU  36   3.149  -1.338  -6.198
  253    HA   LEU  15           HA       LEU  36   3.795  -2.922  -3.903
  254   1HB   LEU  15          1HB       LEU  36   1.553  -2.097  -3.988
  255   2HB   LEU  15          2HB       LEU  36   1.237  -2.537  -5.583
  256    HG   LEU  15           HG       LEU  36   1.271  -4.391  -3.172
  257   1HD1  LEU  15          2HD1      LEU  36  -0.716  -2.786  -3.405
  258   2HD1  LEU  15          1HD1      LEU  36  -0.982  -3.396  -5.027
  259   3HD1  LEU  15          3HD1      LEU  36  -1.195  -4.439  -3.625
  260   1HD2  LEU  15          2HD2      LEU  36   0.482  -5.044  -6.054
  261   2HD2  LEU  15          1HD2      LEU  36   1.825  -5.776  -5.202
  262   3HD2  LEU  15          3HD2      LEU  36   0.210  -6.069  -4.648
  263    H    TYR  16           H        TYR  37   3.341  -3.808  -7.233
  264    HA   TYR  16           HA       TYR  37   3.282  -6.559  -7.104
  265   1HB   TYR  16          1HB       TYR  37   4.164  -4.603  -9.143
  266   2HB   TYR  16          2HB       TYR  37   4.965  -6.131  -9.331
  267    HD1  TYR  16           HD1      TYR  37   2.854  -8.140  -8.982
  268    HD2  TYR  16           HD2      TYR  37   2.654  -4.265 -10.723
  269    HE1  TYR  16           HE1      TYR  37   0.961  -8.856 -10.368
  270    HE2  TYR  16           HE2      TYR  37   0.767  -4.976 -12.111
  271    HH   TYR  16           HH       TYR  37  -0.480  -6.677 -12.775
  272    H    LEU  17           H        LEU  38   6.095  -4.349  -6.983
  273    HA   LEU  17           HA       LEU  38   7.921  -6.684  -6.625
  274   1HB   LEU  17          1HB       LEU  38   8.746  -5.155  -8.203
  275   2HB   LEU  17          2HB       LEU  38   8.475  -3.745  -7.238
  276    HG   LEU  17           HG       LEU  38  10.879  -4.442  -7.525
  277   1HD1  LEU  17          2HD1      LEU  38  10.326  -2.939  -5.659
  278   2HD1  LEU  17          1HD1      LEU  38  10.024  -4.280  -4.585
  279   3HD1  LEU  17          3HD1      LEU  38  11.626  -4.002  -5.210
  280   1HD2  LEU  17          2HD2      LEU  38  10.184  -6.849  -5.786
  281   2HD2  LEU  17          1HD2      LEU  38  10.744  -6.854  -7.432
  282   3HD2  LEU  17          3HD2      LEU  38  11.797  -6.302  -6.141
  283    H    VAL  18           H        VAL  39   7.036  -3.757  -4.672
  284    HA   VAL  18           HA       VAL  39   8.858  -3.985  -2.636
  285    HB   VAL  18           HB       VAL  39   5.924  -3.131  -2.630
  286   1HG1  VAL  18          1HG1      VAL  39   7.920  -2.839  -0.319
  287   2HG1  VAL  18          3HG1      VAL  39   6.318  -2.112  -0.380
  288   3HG1  VAL  18          2HG1      VAL  39   6.485  -3.851  -0.282
  289   1HG2  VAL  18          2HG2      VAL  39   8.570  -1.622  -2.393
  290   2HG2  VAL  18          1HG2      VAL  39   7.609  -1.706  -3.851
  291   3HG2  VAL  18          3HG2      VAL  39   6.993  -0.884  -2.445
  292    H    CYS  19           H        CYS  40   6.202  -6.006  -3.375
  293    HA   CYS  19           HA       CYS  40   6.373  -7.419  -0.807
  294   1HB   CYS  19          1HB       CYS  40   4.590  -7.501  -3.187
  295   2HB   CYS  19          2HB       CYS  40   4.479  -8.737  -1.947
  296    H    GLY  20           H        GLY  41   7.275  -8.179  -4.196
  297   1HA   GLY  20          1HA       GLY  41   8.816  -9.774  -4.830
  298   2HA   GLY  20          2HA       GLY  41   8.982 -10.337  -3.178
  299    H    GLU  21           H        GLU  42   6.212 -11.011  -2.619
  300    HA   GLU  21           HA       GLU  42   5.318 -12.755  -4.805
  301   1HB   GLU  21          1HB       GLU  42   5.535 -14.801  -3.444
  302   2HB   GLU  21          2HB       GLU  42   6.994 -13.926  -3.091
  303   1HG   GLU  21          2HG       GLU  42   4.518 -14.060  -1.343
  304   2HG   GLU  21          1HG       GLU  42   6.084 -14.734  -0.995
  305    H    ARG  22           H        ARG  43   4.486 -10.416  -3.568
  306    HA   ARG  22           HA       ARG  43   2.564  -9.931  -1.871
  307   1HB   ARG  22          1HB       ARG  43   1.941  -8.127  -3.268
  308   2HB   ARG  22          2HB       ARG  43   3.358  -8.730  -4.049
  309   1HG   ARG  22          2HG       ARG  43   0.657  -9.675  -4.960
  310   2HG   ARG  22          1HG       ARG  43   1.509  -8.297  -5.634
  311   1HD   ARG  22          2HD       ARG  43   3.492  -9.801  -6.130
  312   2HD   ARG  22          1HD       ARG  43   2.573 -11.166  -5.526
  313    HE   ARG  22           HE       ARG  43   1.489  -9.542  -7.771
  314   1HH1  ARG  22          2HH2      ARG  43   0.670 -12.300  -6.300
  315   2HH1  ARG  22          1HH2      ARG  43   0.918 -13.341  -7.664
  316   1HH2  ARG  22          1HH1      ARG  43   2.674 -10.948  -9.485
  317   2HH2  ARG  22          2HH1      ARG  43   2.115 -12.588  -9.477
  318    H    GLY  23           H        GLY  44   0.357  -9.890  -1.526
  319   1HA   GLY  23          1HA       GLY  44  -1.184 -12.238  -2.597
  320   2HA   GLY  23          2HA       GLY  44  -1.343 -11.549  -1.010
  321    H    PHE  24           H        PHE  45  -1.597  -9.945  -4.367
  322    HA   PHE  24           HA       PHE  45  -4.135  -8.879  -3.357
  323   1HB   PHE  24          1HB       PHE  45  -3.450  -6.664  -4.093
  324   2HB   PHE  24          2HB       PHE  45  -1.943  -7.365  -3.625
  325    HD1  PHE  24           HD2      PHE  45  -1.120  -9.047  -5.954
  326    HD2  PHE  24           HD1      PHE  45  -2.970  -5.202  -5.797
  327    HE1  PHE  24           HE2      PHE  45  -0.114  -8.451  -8.114
  328    HE2  PHE  24           HE1      PHE  45  -1.966  -4.627  -7.941
  329    HZ   PHE  24           HZ       PHE  45  -0.518  -6.252  -9.104
  330    H    PHE  25           H        PHE  46  -5.350  -8.112  -5.804
  331    HA   PHE  25           HA       PHE  46  -4.798 -10.224  -7.815
  332   1HB   PHE  25          1HB       PHE  46  -7.615  -9.189  -7.205
  333   2HB   PHE  25          2HB       PHE  46  -7.154 -10.528  -8.216
  334    HD1  PHE  25           HD2      PHE  46  -6.285 -12.675  -7.045
  335    HD2  PHE  25           HD1      PHE  46  -8.219  -9.510  -4.973
  336    HE1  PHE  25           HE2      PHE  46  -6.818 -14.210  -5.185
  337    HE2  PHE  25           HE1      PHE  46  -8.745 -11.031  -3.114
  338    HZ   PHE  25           HZ       PHE  46  -8.041 -13.394  -3.224
  339    H    TYR  26           H        TYR  47  -4.525  -9.196  -9.812
  340    HA   TYR  26           HA       TYR  47  -5.888  -6.610 -10.214
  341   1HB   TYR  26          1HB       TYR  47  -3.449  -6.350  -9.240
  342   2HB   TYR  26          2HB       TYR  47  -2.932  -6.708 -10.898
  343    HD1  TYR  26           HD1      TYR  47  -5.367  -4.637  -8.955
  344    HD2  TYR  26           HD2      TYR  47  -3.052  -4.875 -12.525
  345    HE1  TYR  26           HE1      TYR  47  -6.092  -2.387  -9.567
  346    HE2  TYR  26           HE2      TYR  47  -3.791  -2.607 -13.128
  347    HH   TYR  26           HH       TYR  47  -5.059  -0.836 -12.570
  348    H    THR  27           H        THR  48  -6.778  -8.533 -11.284
  349    HA   THR  27           HA       THR  48  -5.841  -8.761 -14.139
  350    HB   THR  27           HB       THR  48  -7.014 -10.981 -14.087
  351    HG1  THR  27           HG1      THR  48  -8.188 -11.215 -12.362
  352   1HG2  THR  27          1HG2      THR  48  -4.888 -10.531 -11.883
  353   2HG2  THR  27          3HG2      THR  48  -5.211 -12.063 -12.679
  354   3HG2  THR  27          2HG2      THR  48  -4.476 -10.746 -13.565
  355    HA   PRO  28           HA       PRO  49  -9.862  -6.095 -13.375
  356   1HB   PRO  28          1HB       PRO  49  -8.811  -5.293 -16.079
  357   2HB   PRO  28          2HB       PRO  49  -9.833  -4.356 -14.968
  358   1HG   PRO  28          2HG       PRO  49  -7.246  -3.941 -14.678
  359   2HG   PRO  28          1HG       PRO  49  -8.097  -4.393 -13.200
  360   1HD   PRO  28          1HD       PRO  49  -6.481  -6.081 -15.057
  361   2HD   PRO  28          2HD       PRO  49  -6.436  -6.022 -13.252
  362    H    LYS  29           H        LYS  50 -12.016  -6.258 -14.227
  363    HA   LYS  29           HA       LYS  50 -12.437  -8.437 -16.229
  364   1HB   LYS  29          1HB       LYS  50 -14.172  -7.683 -13.871
  365   2HB   LYS  29          2HB       LYS  50 -14.581  -8.922 -15.032
  366   1HG   LYS  29          2HG       LYS  50 -12.256  -9.010 -13.088
  367   2HG   LYS  29          1HG       LYS  50 -13.732  -9.955 -13.075
  368   1HD   LYS  29          2HD       LYS  50 -13.140 -10.978 -15.264
  369   2HD   LYS  29          1HD       LYS  50 -11.604 -10.118 -15.249
  370   1HE   LYS  29          2HE       LYS  50 -11.064 -11.198 -13.048
  371   2HE   LYS  29          1HE       LYS  50 -12.541 -12.140 -13.204
  372   1HZ   LYS  29          1HZ       LYS  50 -11.118 -12.357 -15.587
  373   2HZ   LYS  29          3HZ       LYS  50 -10.037 -12.637 -14.311
  374   3HZ   LYS  29          2HZ       LYS  50 -11.447 -13.564 -14.440
  375    H    THR  30           H        THR  51 -12.293  -6.289 -17.592
  376    HA   THR  30           HA       THR  51 -15.094  -5.303 -18.055
  377    HB   THR  30           HB       THR  51 -12.372  -3.984 -18.417
  378    HG1  THR  30           HG1      THR  51 -13.264  -3.086 -16.741
  379   1HG2  THR  30          1HG2      THR  51 -15.052  -3.067 -19.639
  380   2HG2  THR  30          3HG2      THR  51 -13.536  -2.174 -19.717
  381   3HG2  THR  30          2HG2      THR  51 -13.708  -3.666 -20.608
   
  No H/Q in entry =         381
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  -3.799  -4.108  -1.455
    2   2H    GLY   1          3H        GLY   1  -3.336  -5.491  -0.572
    3   3H    GLY   1          2H        GLY   1  -2.206  -4.687  -1.559
    4   1HA   GLY   1          2HA       GLY   1  -2.749  -6.045  -3.210
    5   2HA   GLY   1          1HA       GLY   1  -3.988  -6.771  -2.176
    6    H    ILE   2           H        ILE   2  -3.567  -3.519  -3.457
    7    HA   ILE   2           HA       ILE   2  -6.195  -3.751  -4.858
    8    HB   ILE   2           HB       ILE   2  -6.709  -1.420  -4.246
    9   1HG1  ILE   2          2HG1      ILE   2  -5.265  -0.580  -2.108
   10   2HG1  ILE   2          1HG1      ILE   2  -3.995  -1.441  -2.963
   11   1HG2  ILE   2          2HG2      ILE   2  -7.632  -3.167  -2.838
   12   2HG2  ILE   2          1HG2      ILE   2  -6.225  -3.151  -1.800
   13   3HG2  ILE   2          3HG2      ILE   2  -7.268  -1.743  -1.881
   14   1HD1  ILE   2          1HD       ILE   2  -5.725   0.774  -4.156
   15   2HD1  ILE   2          3HD       ILE   2  -4.080   0.963  -3.611
   16   3HD1  ILE   2          2HD       ILE   2  -4.430  -0.038  -5.009
   17    H    VAL   3           H        VAL   3  -6.490  -1.905  -6.332
   18    HA   VAL   3           HA       VAL   3  -3.974  -1.149  -7.724
   19    HB   VAL   3           HB       VAL   3  -5.162  -1.720  -9.894
   20   1HG1  VAL   3          2HG1      VAL   3  -3.647  -3.382  -8.751
   21   2HG1  VAL   3          1HG1      VAL   3  -5.035  -4.035  -7.886
   22   3HG1  VAL   3          3HG1      VAL   3  -4.951  -4.128  -9.628
   23   1HG2  VAL   3          1HG2      VAL   3  -7.536  -1.552  -8.970
   24   2HG2  VAL   3          3HG2      VAL   3  -7.241  -3.099  -9.754
   25   3HG2  VAL   3          2HG2      VAL   3  -7.232  -2.983  -8.005
   26    H    GLU   4           H        GLU   4  -4.657   0.479  -9.515
   27    HA   GLU   4           HA       GLU   4  -4.947   2.925  -9.137
   28   1HB   GLU   4          1HB       GLU   4  -5.920   1.562 -11.189
   29   2HB   GLU   4          2HB       GLU   4  -7.465   2.021 -10.516
   30   1HG   GLU   4          2HG       GLU   4  -5.265   3.893 -11.462
   31   2HG   GLU   4          1HG       GLU   4  -6.843   3.632 -12.170
   32    H    GLN   5           H        GLN   5  -5.365   3.649  -7.127
   33    HA   GLN   5           HA       GLN   5  -8.189   4.334  -6.647
   34   1HB   GLN   5          1HB       GLN   5  -7.583   1.996  -5.678
   35   2HB   GLN   5          2HB       GLN   5  -6.604   2.840  -4.516
   36   1HG   GLN   5          2HG       GLN   5  -8.561   3.936  -3.551
   37   2HG   GLN   5          1HG       GLN   5  -9.590   3.333  -4.851
   38   1HE2  GLN   5          1HE2      GLN   5  -8.485   0.761  -1.893
   39   2HE2  GLN   5          2HE2      GLN   5  -7.886   2.349  -1.920
   40    H    CYS   6           H        CYS   6  -6.305   5.937  -7.390
   41    HA   CYS   6           HA       CYS   6  -4.646   7.492  -6.650
   42   1HB   CYS   6          1HB       CYS   6  -7.462   8.349  -6.792
   43   2HB   CYS   6          2HB       CYS   6  -6.243   9.549  -6.458
   44    H    CYS   7           H        CYS   7  -3.577   7.285  -4.972
   45    HA   CYS   7           HA       CYS   7  -2.684   7.403  -2.880
   46   1HB   CYS   7          1HB       CYS   7  -2.000   9.473  -4.006
   47   2HB   CYS   7          2HB       CYS   7  -3.499  10.242  -3.607
   48    H    THR   8           H        THR   8  -5.126   6.624  -2.662
   49    HA   THR   8           HA       THR   8  -7.185   7.146  -1.235
   50    HB   THR   8           HB       THR   8  -6.864   5.279   0.446
   51    HG1  THR   8           HG1      THR   8  -4.771   5.507   1.048
   52   1HG2  THR   8          1HG2      THR   8  -5.531   4.716  -2.255
   53   2HG2  THR   8          3HG2      THR   8  -6.264   3.513  -1.205
   54   3HG2  THR   8          2HG2      THR   8  -7.275   4.713  -2.010
   55    H    SER   9           H        SER   9  -4.419   6.980   0.961
   56    HA   SER   9           HA       SER   9  -5.637   9.165   2.570
   57   1HB   SER   9          2HB       SER   9  -4.848   7.847   4.631
   58   2HB   SER   9          1HB       SER   9  -6.102   7.076   3.659
   59    HG   SER   9           HG       SER   9  -4.344   6.111   2.427
   60    H    ILE  10           H        ILE  10  -2.608   7.466   2.734
   61    HA   ILE  10           HA       ILE  10  -1.126  10.065   2.962
   62    HB   ILE  10           HB       ILE  10  -0.631   7.445   4.456
   63   1HG1  ILE  10          2HG1      ILE  10  -2.540   8.655   5.337
   64   2HG1  ILE  10          1HG1      ILE  10  -1.219   8.692   6.487
   65   1HG2  ILE  10          1HG2      ILE  10   0.989  10.011   4.699
   66   2HG2  ILE  10          3HG2      ILE  10   1.096   8.644   5.790
   67   3HG2  ILE  10          2HG2      ILE  10   1.579   8.460   4.128
   68   1HD1  ILE  10          2HD       ILE  10  -0.668  11.025   5.759
   69   2HD1  ILE  10          1HD       ILE  10  -2.011  10.983   4.633
   70   3HD1  ILE  10          3HD       ILE  10  -2.315  10.870   6.351
   71    H    CYS  11           H        CYS  11  -1.464   7.497   0.946
   72    HA   CYS  11           HA       CYS  11   0.189   6.211  -0.272
   73   1HB   CYS  11          1HB       CYS  11   0.301   7.385  -2.346
   74   2HB   CYS  11          2HB       CYS  11  -1.241   7.643  -1.568
   75    H    SER  12           H        SER  12   1.880   6.336   1.424
   76    HA   SER  12           HA       SER  12   4.371   7.683   0.557
   77   1HB   SER  12          2HB       SER  12   5.001   7.380   3.055
   78   2HB   SER  12          1HB       SER  12   3.409   8.111   2.953
   79    HG   SER  12           HG       SER  12   3.037   5.509   2.720
   80    H    LEU  13           H        LEU  13   6.210   5.996   0.748
   81    HA   LEU  13           HA       LEU  13   5.233   3.530  -0.443
   82   1HB   LEU  13          1HB       LEU  13   8.088   4.163   0.288
   83   2HB   LEU  13          2HB       LEU  13   7.549   2.947  -0.829
   84    HG   LEU  13           HG       LEU  13   7.371   5.946  -1.268
   85   1HD1  LEU  13          1HD1      LEU  13   8.785   3.736  -2.781
   86   2HD1  LEU  13          3HD1      LEU  13   8.745   5.414  -3.278
   87   3HD1  LEU  13          2HD1      LEU  13   9.554   4.955  -1.773
   88   1HD2  LEU  13          2HD2      LEU  13   6.174   3.732  -3.011
   89   2HD2  LEU  13          1HD2      LEU  13   5.273   4.955  -2.143
   90   3HD2  LEU  13          3HD2      LEU  13   6.311   5.428  -3.469
   91    H    TYR  14           H        TYR  14   6.444   4.299   2.734
   92    HA   TYR  14           HA       TYR  14   6.964   1.540   3.430
   93   1HB   TYR  14          1HB       TYR  14   7.779   3.616   4.759
   94   2HB   TYR  14          2HB       TYR  14   6.166   3.737   5.435
   95    HD1  TYR  14           HD1      TYR  14   5.241   1.662   6.699
   96    HD2  TYR  14           HD2      TYR  14   9.350   2.084   5.677
   97    HE1  TYR  14           HE1      TYR  14   5.839  -0.025   8.387
   98    HE2  TYR  14           HE2      TYR  14   9.943   0.427   7.367
   99    HH   TYR  14           HH       TYR  14   9.210  -1.023   8.836
  100    H    GLN  15           H        GLN  15   4.070   3.615   3.356
  101    HA   GLN  15           HA       GLN  15   2.338   1.847   4.796
  102   1HB   GLN  15          1HB       GLN  15   1.742   4.315   4.104
  103   2HB   GLN  15          2HB       GLN  15   1.378   3.641   2.525
  104   1HG   GLN  15          2HG       GLN  15  -0.223   2.024   3.696
  105   2HG   GLN  15          1HG       GLN  15   0.147   2.872   5.184
  106   1HE2  GLN  15          1HE2      GLN  15  -1.625   5.693   3.034
  107   2HE2  GLN  15          2HE2      GLN  15   0.027   5.321   2.825
  108    H    LEU  16           H        LEU  16   3.580   1.905   1.481
  109    HA   LEU  16           HA       LEU  16   1.521   0.055   0.513
  110   1HB   LEU  16          1HB       LEU  16   4.256   0.720  -0.676
  111   2HB   LEU  16          2HB       LEU  16   2.945  -0.094  -1.505
  112    HG   LEU  16           HG       LEU  16   2.696   2.730  -0.360
  113   1HD1  LEU  16          2HD1      LEU  16   4.293   2.610  -2.247
  114   2HD1  LEU  16          1HD1      LEU  16   3.092   1.786  -3.220
  115   3HD1  LEU  16          3HD1      LEU  16   2.827   3.456  -2.724
  116   1HD2  LEU  16          1HD2      LEU  16   0.497   1.487  -0.555
  117   2HD2  LEU  16          3HD2      LEU  16   0.574   2.800  -1.681
  118   3HD2  LEU  16          2HD2      LEU  16   0.854   1.162  -2.246
  119    H    GLU  17           H        GLU  17   4.555  -0.250   2.139
  120    HA   GLU  17           HA       GLU  17   5.068  -3.003   1.439
  121   1HB   GLU  17          1HB       GLU  17   5.799  -1.560   4.023
  122   2HB   GLU  17          2HB       GLU  17   6.549  -3.020   3.417
  123   1HG   GLU  17          2HG       GLU  17   7.263  -1.743   1.352
  124   2HG   GLU  17          1HG       GLU  17   6.632  -0.274   2.072
  125    H    ASN  18           H        ASN  18   2.658  -1.491   3.294
  126    HA   ASN  18           HA       ASN  18   2.116  -3.370   5.342
  127   1HB   ASN  18          1HB       ASN  18  -0.032  -2.302   5.545
  128   2HB   ASN  18          2HB       ASN  18   1.066  -1.058   5.036
  129   1HD2  ASN  18          1HD2      ASN  18  -0.523  -1.641   1.583
  130   2HD2  ASN  18          2HD2      ASN  18   0.938  -2.279   2.163
  131    H    TYR  19           H        TYR  19   1.731  -3.678   1.967
  132    HA   TYR  19           HA       TYR  19  -0.294  -5.827   2.192
  133   1HB   TYR  19          1HB       TYR  19   1.202  -4.909  -0.296
  134   2HB   TYR  19          2HB       TYR  19  -0.257  -5.876  -0.212
  135    HD1  TYR  19           HD1      TYR  19  -2.239  -4.683   1.254
  136    HD2  TYR  19           HD2      TYR  19   0.836  -2.662  -0.877
  137    HE1  TYR  19           HE1      TYR  19  -3.644  -2.675   1.101
  138    HE2  TYR  19           HE2      TYR  19  -0.563  -0.669  -1.036
  139    HH   TYR  19           HH       TYR  19  -3.762  -0.546   0.482
  140    H    CYS  20           H        CYS  20   2.431  -6.126   3.415
  141    HA   CYS  20           HA       CYS  20   3.403  -8.447   1.765
  142   1HB   CYS  20          1HB       CYS  20   5.052  -6.488   2.264
  143   2HB   CYS  20          2HB       CYS  20   4.936  -7.017   3.927
  144    H    ASN  21           H        ASN  21   1.260  -8.079   3.792
  145    HA   ASN  21           HA       ASN  21   0.775  -8.829   6.054
  146   1HB   ASN  21          1HB       ASN  21  -0.415  -9.678   3.904
  147   2HB   ASN  21          2HB       ASN  21   0.405 -11.199   4.196
  148   1HD2  ASN  21          1HD2      ASN  21  -3.013 -10.561   5.980
  149   2HD2  ASN  21          2HD2      ASN  21  -2.447  -9.854   4.542
  150   1H    PHE   1          1H        PHE  22   7.416   9.123  -2.385
  151   2H    PHE   1          3H        PHE  22   9.057   9.567  -2.425
  152   3H    PHE   1          2H        PHE  22   8.496   8.487  -1.235
  153    HA   PHE   1           HA       PHE  22   8.035  10.109   0.133
  154   1HB   PHE   1          2HB       PHE  22   9.984  11.303  -0.903
  155   2HB   PHE   1          1HB       PHE  22   8.964  11.874  -2.206
  156    HD1  PHE   1           HD1      PHE  22   8.373  11.830   1.517
  157    HD2  PHE   1           HD2      PHE  22   8.835  14.221  -1.989
  158    HE1  PHE   1           HE1      PHE  22   7.794  13.844   2.799
  159    HE2  PHE   1           HE2      PHE  22   8.249  16.219  -0.693
  160    HZ   PHE   1           HZ       PHE  22   7.732  16.022   1.700
  161    H    VAL   2           H        VAL  23   6.484  11.648   0.733
  162    HA   VAL   2           HA       VAL  23   4.017  11.562  -0.879
  163    HB   VAL   2           HB       VAL  23   2.999  12.483   1.350
  164   1HG1  VAL   2          1HG1      VAL  23   4.380   9.781   1.306
  165   2HG1  VAL   2          3HG1      VAL  23   3.028  10.230   2.336
  166   3HG1  VAL   2          2HG1      VAL  23   2.807  10.164   0.600
  167   1HG2  VAL   2          1HG2      VAL  23   5.209  13.235   2.382
  168   2HG2  VAL   2          3HG2      VAL  23   4.334  12.091   3.382
  169   3HG2  VAL   2          2HG2      VAL  23   5.712  11.556   2.446
  170    H    ASN   3           H        ASN  24   2.589  13.455  -0.507
  171    HA   ASN   3           HA       ASN  24   2.023  15.710  -0.905
  172   1HB   ASN   3          1HB       ASN  24   4.999  16.429  -0.392
  173   2HB   ASN   3          2HB       ASN  24   3.617  17.489  -0.336
  174   1HD2  ASN   3          1HD2      ASN  24   3.753  17.121   3.156
  175   2HD2  ASN   3          2HD2      ASN  24   3.996  18.166   1.831
  176    H    GLN   4           H        GLN  25   2.589  13.825  -2.737
  177    HA   GLN   4           HA       GLN  25   3.692  15.360  -4.984
  178   1HB   GLN   4          1HB       GLN  25   5.301  13.646  -3.881
  179   2HB   GLN   4          2HB       GLN  25   4.230  12.384  -4.402
  180   1HG   GLN   4          2HG       GLN  25   4.739  13.030  -6.821
  181   2HG   GLN   4          1HG       GLN  25   5.895  14.201  -6.202
  182   1HE2  GLN   4          1HE2      GLN  25   6.925  10.371  -6.574
  183   2HE2  GLN   4          2HE2      GLN  25   5.550  11.071  -7.278
  184    H    HIS   5           H        HIS  26   3.155  13.370  -7.007
  185    HA   HIS   5           HA       HIS  26   0.202  13.126  -6.938
  186   1HB   HIS   5          1HB       HIS  26   2.113  13.318  -9.326
  187   2HB   HIS   5          2HB       HIS  26   0.354  13.355  -9.375
  188    HD1  HIS   5           HD1      HIS  26  -0.620  15.491  -7.889
  189    HD2  HIS   5           HD2      HIS  26   3.242  15.803  -9.174
  190    HE1  HIS   5           HE1      HIS  26  -0.036  17.877  -7.742
  191    H    LEU   6           H        LEU  27   0.877  11.200  -5.638
  192    HA   LEU   6           HA       LEU  27   1.701   8.837  -7.299
  193   1HB   LEU   6          1HB       LEU  27   1.576   9.170  -4.269
  194   2HB   LEU   6          2HB       LEU  27   2.086   7.726  -5.111
  195    HG   LEU   6           HG       LEU  27   3.544  10.385  -5.261
  196   1HD1  LEU   6          1HD1      LEU  27   4.177   7.751  -3.858
  197   2HD1  LEU   6          3HD1      LEU  27   5.253   9.145  -3.902
  198   3HD1  LEU   6          2HD1      LEU  27   3.713   9.245  -3.057
  199   1HD2  LEU   6          2HD2      LEU  27   4.211   7.611  -6.393
  200   2HD2  LEU   6          1HD2      LEU  27   3.813   9.023  -7.349
  201   3HD2  LEU   6          3HD2      LEU  27   5.300   8.978  -6.430
  202    H    CYS   7           H        CYS  28  -0.405   8.694  -8.303
  203    HA   CYS   7           HA       CYS  28  -2.647   8.020  -6.499
  204   1HB   CYS   7          1HB       CYS  28  -3.490   9.417  -8.020
  205   2HB   CYS   7          2HB       CYS  28  -2.511   8.997  -9.348
  206    H    GLY   8           H        GLY  29  -1.370   6.305  -9.521
  207   1HA   GLY   8          1HA       GLY  29  -1.874   3.814  -8.056
  208   2HA   GLY   8          2HA       GLY  29  -2.729   3.984  -9.548
  209    H    SER   9           H        SER  30  -0.668   4.814 -11.376
  210    HA   SER   9           HA       SER  30   0.821   2.653 -11.991
  211   1HB   SER   9          2HB       SER  30   1.599   5.613 -12.397
  212   2HB   SER   9          1HB       SER  30   2.355   4.254 -13.224
  213    HG   SER   9           HG       SER  30   0.069   5.418 -13.755
  214    H    HIS  10           H        HIS  31   1.808   4.851  -9.535
  215    HA   HIS  10           HA       HIS  31   4.464   3.655  -9.300
  216   1HB   HIS  10          1HB       HIS  31   3.094   6.081  -8.027
  217   2HB   HIS  10          2HB       HIS  31   4.666   5.539  -7.487
  218    HD1  HIS  10           HD1      HIS  31   5.902   4.966 -10.304
  219    HD2  HIS  10           HD2      HIS  31   3.648   8.265  -9.502
  220    HE1  HIS  10           HE1      HIS  31   6.533   6.655 -11.970
  221    H    LEU  11           H        LEU  32   1.364   3.764  -7.506
  222    HA   LEU  11           HA       LEU  32   2.369   2.439  -5.174
  223   1HB   LEU  11          1HB       LEU  32  -0.427   2.885  -6.377
  224   2HB   LEU  11          2HB       LEU  32  -0.232   1.728  -5.075
  225    HG   LEU  11           HG       LEU  32   0.772   3.589  -3.698
  226   1HD1  LEU  11          1HD1      LEU  32   0.171   5.320  -6.124
  227   2HD1  LEU  11          3HD1      LEU  32   0.664   5.894  -4.541
  228   3HD1  LEU  11          2HD1      LEU  32   1.775   4.949  -5.491
  229   1HD2  LEU  11          1HD2      LEU  32  -1.682   3.210  -3.660
  230   2HD2  LEU  11          3HD2      LEU  32  -1.289   4.926  -3.470
  231   3HD2  LEU  11          2HD2      LEU  32  -1.870   4.320  -5.007
  232    H    VAL  12           H        VAL  33   1.221   1.439  -8.303
  233    HA   VAL  12           HA       VAL  33   1.142  -1.361  -7.767
  234    HB   VAL  12           HB       VAL  33   0.943   0.503 -10.148
  235   1HG1  VAL  12          1HG1      VAL  33   1.225  -2.508 -10.471
  236   2HG1  VAL  12          3HG1      VAL  33   0.685  -1.400 -11.722
  237   3HG1  VAL  12          2HG1      VAL  33   2.324  -1.316 -11.112
  238   1HG2  VAL  12          2HG2      VAL  33  -0.815  -1.715  -9.007
  239   2HG2  VAL  12          1HG2      VAL  33  -1.040  -0.001  -8.760
  240   3HG2  VAL  12          3HG2      VAL  33  -1.255  -0.693 -10.362
  241    H    GLU  13           H        GLU  34   3.655   0.811  -9.257
  242    HA   GLU  13           HA       GLU  34   5.423  -1.478  -9.695
  243   1HB   GLU  13          1HB       GLU  34   6.463   1.370  -9.154
  244   2HB   GLU  13          2HB       GLU  34   7.296   0.026  -9.876
  245   1HG   GLU  13          2HG       GLU  34   6.050   0.012 -11.833
  246   2HG   GLU  13          1HG       GLU  34   4.801   1.060 -11.190
  247    H    ALA  14           H        ALA  35   4.847   0.467  -6.853
  248    HA   ALA  14           HA       ALA  35   7.153  -0.576  -5.426
  249   1HB   ALA  14          1HB       ALA  35   4.888   1.246  -4.619
  250   2HB   ALA  14          3HB       ALA  35   6.290   0.896  -3.615
  251   3HB   ALA  14          2HB       ALA  35   6.499   1.706  -5.160
  252    H    LEU  15           H        LEU  36   3.591  -1.133  -5.049
  253    HA   LEU  15           HA       LEU  36   4.137  -2.840  -2.734
  254   1HB   LEU  15          1HB       LEU  36   1.779  -3.008  -2.532
  255   2HB   LEU  15          2HB       LEU  36   2.018  -1.403  -3.113
  256    HG   LEU  15           HG       LEU  36   1.553  -2.511  -5.496
  257   1HD1  LEU  15          2HD1      LEU  36   1.358  -4.852  -4.518
  258   2HD1  LEU  15          1HD1      LEU  36   0.061  -4.271  -3.488
  259   3HD1  LEU  15          3HD1      LEU  36  -0.165  -4.334  -5.220
  260   1HD2  LEU  15          2HD2      LEU  36  -0.645  -1.883  -3.487
  261   2HD2  LEU  15          1HD2      LEU  36   0.180  -0.696  -4.476
  262   3HD2  LEU  15          3HD2      LEU  36  -0.851  -1.914  -5.220
  263    H    TYR  16           H        TYR  37   4.129  -3.162  -6.139
  264    HA   TYR  16           HA       TYR  37   3.694  -6.077  -6.045
  265   1HB   TYR  16          1HB       TYR  37   4.618  -4.362  -8.460
  266   2HB   TYR  16          2HB       TYR  37   4.299  -6.063  -8.478
  267    HD1  TYR  16           HD2      TYR  37   1.873  -4.084  -6.602
  268    HD2  TYR  16           HD1      TYR  37   2.878  -5.584 -10.431
  269    HE1  TYR  16           HE2      TYR  37  -0.423  -3.643  -7.366
  270    HE2  TYR  16           HE1      TYR  37   0.602  -5.155 -11.207
  271    HH   TYR  16           HH       TYR  37  -1.440  -4.410 -10.694
  272    H    LEU  17           H        LEU  38   6.383  -3.769  -6.152
  273    HA   LEU  17           HA       LEU  38   8.424  -5.782  -6.726
  274   1HB   LEU  17          1HB       LEU  38   8.705  -3.512  -7.492
  275   2HB   LEU  17          2HB       LEU  38   8.484  -2.860  -5.891
  276    HG   LEU  17           HG       LEU  38  10.717  -3.899  -5.224
  277   1HD1  LEU  17          1HD1      LEU  38  10.950  -4.548  -8.188
  278   2HD1  LEU  17          3HD1      LEU  38  12.219  -4.726  -6.997
  279   3HD1  LEU  17          2HD1      LEU  38  10.800  -5.765  -6.928
  280   1HD2  LEU  17          1HD2      LEU  38  10.554  -1.546  -6.081
  281   2HD2  LEU  17          3HD2      LEU  38  12.077  -2.283  -6.538
  282   3HD2  LEU  17          2HD2      LEU  38  10.775  -2.147  -7.710
  283    H    VAL  18           H        VAL  39   6.759  -4.681  -3.884
  284    HA   VAL  18           HA       VAL  39   8.898  -5.755  -2.094
  285    HB   VAL  18           HB       VAL  39   6.272  -4.298  -1.359
  286   1HG1  VAL  18          2HG1      VAL  39   7.024  -5.942   0.394
  287   2HG1  VAL  18          1HG1      VAL  39   8.597  -5.191   0.420
  288   3HG1  VAL  18          3HG1      VAL  39   7.192  -4.307   0.973
  289   1HG2  VAL  18          1HG2      VAL  39   8.010  -2.798  -2.385
  290   2HG2  VAL  18          3HG2      VAL  39   7.765  -2.432  -0.688
  291   3HG2  VAL  18          2HG2      VAL  39   9.173  -3.345  -1.195
  292    H    CYS  19           H        CYS  40   5.324  -5.919  -1.989
  293    HA   CYS  19           HA       CYS  40   5.416  -8.871  -2.083
  294   1HB   CYS  19          1HB       CYS  40   4.558  -7.391   0.402
  295   2HB   CYS  19          2HB       CYS  40   4.305  -9.100   0.089
  296    H    GLY  20           H        GLY  41   2.919  -6.152  -1.532
  297   1HA   GLY  20          1HA       GLY  41   0.925  -5.909  -2.536
  298   2HA   GLY  20          2HA       GLY  41   1.326  -7.156  -3.689
  299    H    GLU  21           H        GLU  42   1.832  -8.899  -1.353
  300    HA   GLU  21           HA       GLU  42   0.724 -10.043   0.467
  301   1HB   GLU  21          1HB       GLU  42  -1.788  -9.625  -1.315
  302   2HB   GLU  21          2HB       GLU  42  -1.712 -10.803  -0.047
  303   1HG   GLU  21          2HG       GLU  42  -1.506  -9.195   1.678
  304   2HG   GLU  21          1HG       GLU  42  -1.111  -7.880   0.586
  305    H    ARG  22           H        ARG  43   2.430 -10.395  -1.295
  306    HA   ARG  22           HA       ARG  43   3.230 -11.654  -3.187
  307   1HB   ARG  22          1HB       ARG  43   4.337 -12.118  -1.179
  308   2HB   ARG  22          2HB       ARG  43   3.080 -13.097  -0.511
  309   1HG   ARG  22          2HG       ARG  43   4.765 -14.610  -1.248
  310   2HG   ARG  22          1HG       ARG  43   3.656 -14.674  -2.592
  311   1HD   ARG  22          2HD       ARG  43   5.073 -12.990  -3.829
  312   2HD   ARG  22          1HD       ARG  43   6.146 -12.912  -2.429
  313    HE   ARG  22           HE       ARG  43   6.519 -15.378  -2.762
  314   1HH1  ARG  22          2HH2      ARG  43   4.524 -15.426  -5.065
  315   2HH1  ARG  22          1HH2      ARG  43   5.583 -15.499  -6.437
  316   1HH2  ARG  22          1HH1      ARG  43   8.387 -14.511  -4.569
  317   2HH2  ARG  22          2HH1      ARG  43   7.819 -14.983  -6.135
  318    H    GLY  23           H        GLY  44   1.626 -11.785  -4.640
  319   1HA   GLY  23          1HA       GLY  44   0.921 -13.643  -6.170
  320   2HA   GLY  23          2HA       GLY  44   0.002 -14.319  -4.840
  321    H    PHE  24           H        PHE  45  -1.148 -11.897  -3.749
  322    HA   PHE  24           HA       PHE  45  -3.331 -11.080  -4.245
  323   1HB   PHE  24          1HB       PHE  45  -3.034  -8.806  -4.401
  324   2HB   PHE  24          2HB       PHE  45  -1.908  -9.533  -3.242
  325    HD1  PHE  24           HD1      PHE  45   0.480 -10.259  -4.564
  326    HD2  PHE  24           HD2      PHE  45  -2.144  -7.050  -5.576
  327    HE1  PHE  24           HE1      PHE  45   2.296  -9.158  -5.769
  328    HE2  PHE  24           HE2      PHE  45  -0.347  -5.967  -6.762
  329    HZ   PHE  24           HZ       PHE  45   1.899  -7.006  -6.877
  330    H    PHE  25           H        PHE  46  -4.398 -11.961  -6.649
  331    HA   PHE  25           HA       PHE  46  -3.353 -10.382  -8.901
  332   1HB   PHE  25          1HB       PHE  46  -4.319 -12.131 -10.245
  333   2HB   PHE  25          2HB       PHE  46  -3.800 -13.005  -8.834
  334    HD1  PHE  25           HD1      PHE  46  -6.714 -11.347 -10.412
  335    HD2  PHE  25           HD2      PHE  46  -5.471 -14.032  -7.354
  336    HE1  PHE  25           HE1      PHE  46  -9.048 -11.954 -10.010
  337    HE2  PHE  25           HE2      PHE  46  -7.813 -14.645  -6.950
  338    HZ   PHE  25           HZ       PHE  46  -9.597 -13.612  -8.266
  339    H    TYR  26           H        TYR  47  -4.788  -9.200 -10.050
  340    HA   TYR  26           HA       TYR  47  -7.380  -8.515  -8.828
  341   1HB   TYR  26          1HB       TYR  47  -6.929  -6.130  -9.462
  342   2HB   TYR  26          2HB       TYR  47  -5.706  -6.736  -8.382
  343    HD1  TYR  26           HD2      TYR  47  -3.407  -7.389  -9.336
  344    HD2  TYR  26           HD1      TYR  47  -6.377  -5.328 -11.581
  345    HE1  TYR  26           HE2      TYR  47  -1.696  -6.625 -10.918
  346    HE2  TYR  26           HE1      TYR  47  -4.676  -4.591 -13.169
  347    HH   TYR  26           HH       TYR  47  -2.516  -4.843 -13.823
  348    H    THR  27           H        THR  48  -5.581  -8.217 -11.349
  349    HA   THR  27           HA       THR  48  -7.150  -9.750 -13.358
  350    HB   THR  27           HB       THR  48  -7.517  -7.856 -14.993
  351    HG1  THR  27           HG1      THR  48  -5.813  -6.680 -13.420
  352   1HG2  THR  27          2HG2      THR  48  -9.387  -8.308 -13.387
  353   2HG2  THR  27          1HG2      THR  48  -8.723  -7.094 -12.294
  354   3HG2  THR  27          3HG2      THR  48  -9.292  -6.621 -13.877
  355    HA   PRO  28           HA       PRO  49  -2.849  -9.328 -14.995
  356   1HB   PRO  28          1HB       PRO  49  -1.161 -10.455 -13.100
  357   2HB   PRO  28          2HB       PRO  49  -1.678  -8.776 -13.070
  358   1HG   PRO  28          2HG       PRO  49  -2.343 -11.024 -11.310
  359   2HG   PRO  28          1HG       PRO  49  -2.784  -9.332 -11.089
  360   1HD   PRO  28          1HD       PRO  49  -4.378 -11.561 -12.369
  361   2HD   PRO  28          2HD       PRO  49  -4.927 -10.132 -11.491
  362    H    LYS  29           H        LYS  50  -1.272 -10.974 -15.938
  363    HA   LYS  29           HA       LYS  50  -2.617 -13.589 -16.358
  364   1HB   LYS  29          1HB       LYS  50  -0.236 -12.308 -17.744
  365   2HB   LYS  29          2HB       LYS  50  -0.998 -13.775 -18.266
  366   1HG   LYS  29          2HG       LYS  50  -2.281 -11.002 -18.133
  367   2HG   LYS  29          1HG       LYS  50  -1.744 -11.806 -19.594
  368   1HD   LYS  29          2HD       LYS  50  -4.005 -12.792 -17.767
  369   2HD   LYS  29          1HD       LYS  50  -4.201 -11.978 -19.304
  370   1HE   LYS  29          2HE       LYS  50  -2.815 -14.661 -18.932
  371   2HE   LYS  29          1HE       LYS  50  -4.435 -14.432 -19.565
  372   1HZ   LYS  29          1HZ       LYS  50  -2.736 -12.764 -21.011
  373   2HZ   LYS  29          3HZ       LYS  50  -2.008 -14.297 -20.928
  374   3HZ   LYS  29          2HZ       LYS  50  -3.588 -14.136 -21.551
  375    H    THR  30           H        THR  51  -1.778 -15.443 -15.614
  376    HA   THR  30           HA       THR  51   0.961 -15.451 -14.409
  377    HB   THR  30           HB       THR  51  -0.805 -15.331 -12.563
  378    HG1  THR  30           HG1      THR  51   1.039 -16.333 -12.062
  379   1HG2  THR  30          2HG2      THR  51  -2.621 -16.852 -13.699
  380   2HG2  THR  30          1HG2      THR  51  -1.488 -18.188 -13.488
  381   3HG2  THR  30          3HG2      THR  51  -2.144 -17.355 -12.095
   
  No H/Q in entry =         381
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  -6.596  -2.650  -0.786
    2   2H    GLY   1          3H        GLY   1  -8.000  -2.682   0.174
    3   3H    GLY   1          2H        GLY   1  -7.808  -3.770  -1.120
    4   1HA   GLY   1          2HA       GLY   1  -8.748  -2.398  -2.525
    5   2HA   GLY   1          1HA       GLY   1  -9.064  -1.309  -1.175
    6    H    ILE   2           H        ILE   2  -7.857   0.500  -0.971
    7    HA   ILE   2           HA       ILE   2  -6.434   2.279  -1.580
    8    HB   ILE   2           HB       ILE   2  -4.514   0.160  -2.638
    9   1HG1  ILE   2          2HG1      ILE   2  -5.368  -0.785  -0.495
   10   2HG1  ILE   2          1HG1      ILE   2  -3.739  -0.214  -0.270
   11   1HG2  ILE   2          1HG2      ILE   2  -4.086   2.741  -1.094
   12   2HG2  ILE   2          3HG2      ILE   2  -2.795   1.616  -1.518
   13   3HG2  ILE   2          2HG2      ILE   2  -3.622   2.479  -2.754
   14   1HD1  ILE   2          1HD       ILE   2  -6.242   1.343   0.577
   15   2HD1  ILE   2          3HD       ILE   2  -5.151   0.468   1.635
   16   3HD1  ILE   2          2HD       ILE   2  -4.590   1.884   0.800
   17    H    VAL   3           H        VAL   3  -4.847   2.628  -3.758
   18    HA   VAL   3           HA       VAL   3  -5.020   3.497  -5.940
   19    HB   VAL   3           HB       VAL   3  -5.025   1.757  -7.574
   20   1HG1  VAL   3          2HG1      VAL   3  -3.271   1.357  -5.881
   21   2HG1  VAL   3          1HG1      VAL   3  -4.374   0.350  -4.967
   22   3HG1  VAL   3          3HG1      VAL   3  -3.831  -0.160  -6.548
   23   1HG2  VAL   3          1HG2      VAL   3  -7.325   0.745  -7.243
   24   2HG2  VAL   3          3HG2      VAL   3  -6.087  -0.459  -7.372
   25   3HG2  VAL   3          2HG2      VAL   3  -6.744  -0.074  -5.800
   26    H    GLU   4           H        GLU   4  -6.747   3.026  -8.010
   27    HA   GLU   4           HA       GLU   4  -8.735   3.985  -8.831
   28   1HB   GLU   4          1HB       GLU   4  -9.379   1.744  -7.765
   29   2HB   GLU   4          2HB       GLU   4  -9.854   2.631  -6.334
   30   1HG   GLU   4          2HG       GLU   4 -11.863   2.216  -7.463
   31   2HG   GLU   4          1HG       GLU   4 -11.527   3.896  -7.860
   32    H    GLN   5           H        GLN   5  -7.599   5.874  -8.096
   33    HA   GLN   5           HA       GLN   5  -8.586   8.171  -7.723
   34   1HB   GLN   5          1HB       GLN   5  -9.981   7.384  -5.589
   35   2HB   GLN   5          2HB       GLN   5  -8.443   7.227  -4.771
   36   1HG   GLN   5          2HG       GLN   5  -9.822   9.380  -4.390
   37   2HG   GLN   5          1HG       GLN   5  -8.121   9.597  -4.686
   38   1HE2  GLN   5          1HE2      GLN   5 -10.810  11.355  -7.132
   39   2HE2  GLN   5          2HE2      GLN   5 -11.305  10.496  -5.746
   40    H    CYS   6           H        CYS   6  -6.922   9.733  -6.575
   41    HA   CYS   6           HA       CYS   6  -4.251   8.403  -6.681
   42   1HB   CYS   6          1HB       CYS   6  -4.803  11.316  -6.930
   43   2HB   CYS   6          2HB       CYS   6  -3.369  10.480  -7.460
   44    H    CYS   7           H        CYS   7  -2.811   8.660  -5.207
   45    HA   CYS   7           HA       CYS   7  -1.968   8.700  -3.058
   46   1HB   CYS   7          1HB       CYS   7  -2.082  11.216  -4.221
   47   2HB   CYS   7          2HB       CYS   7  -2.819  11.567  -2.664
   48    H    THR   8           H        THR   8  -4.307   7.685  -3.355
   49    HA   THR   8           HA       THR   8  -6.630   7.702  -2.525
   50    HB   THR   8           HB       THR   8  -6.312   5.552  -1.143
   51    HG1  THR   8           HG1      THR   8  -4.459   6.028  -0.048
   52   1HG2  THR   8          2HG2      THR   8  -6.068   5.553  -3.749
   53   2HG2  THR   8          1HG2      THR   8  -4.348   5.840  -3.483
   54   3HG2  THR   8          3HG2      THR   8  -5.095   4.368  -2.894
   55    H    SER   9           H        SER   9  -4.391   7.899   0.181
   56    HA   SER   9           HA       SER   9  -6.401   9.423   1.730
   57   1HB   SER   9          2HB       SER   9  -5.943   7.788   3.714
   58   2HB   SER   9          1HB       SER   9  -6.848   7.094   2.366
   59    HG   SER   9           HG       SER   9  -5.261   5.790   2.080
   60    H    ILE  10           H        ILE  10  -3.348   7.883   2.223
   61    HA   ILE  10           HA       ILE  10  -2.068  10.494   2.915
   62    HB   ILE  10           HB       ILE  10  -1.419   7.988   4.508
   63   1HG1  ILE  10          2HG1      ILE  10  -3.684   9.976   5.132
   64   2HG1  ILE  10          1HG1      ILE  10  -3.874   8.277   4.735
   65   1HG2  ILE  10          2HG2      ILE  10   0.093  10.012   4.689
   66   2HG2  ILE  10          1HG2      ILE  10  -1.282  10.978   5.200
   67   3HG2  ILE  10          3HG2      ILE  10  -0.696   9.679   6.207
   68   1HD1  ILE  10          2HD       ILE  10  -2.661   7.622   6.797
   69   2HD1  ILE  10          1HD       ILE  10  -2.473   9.312   7.219
   70   3HD1  ILE  10          3HD       ILE  10  -4.075   8.601   7.147
   71    H    CYS  11           H        CYS  11  -2.008   8.042   0.824
   72    HA   CYS  11           HA       CYS  11  -0.278   6.747  -0.235
   73   1HB   CYS  11          1HB       CYS  11   1.243   8.732  -1.322
   74   2HB   CYS  11          2HB       CYS  11  -0.360   8.353  -1.856
   75    H    SER  12           H        SER  12   0.440   6.112   2.023
   76    HA   SER  12           HA       SER  12   3.318   6.752   2.422
   77   1HB   SER  12          2HB       SER  12   2.907   6.480   4.902
   78   2HB   SER  12          1HB       SER  12   1.842   7.725   4.213
   79    HG   SER  12           HG       SER  12   0.306   6.525   4.947
   80    H    LEU  13           H        LEU  13   4.627   5.191   2.832
   81    HA   LEU  13           HA       LEU  13   4.519   2.699   1.770
   82   1HB   LEU  13          1HB       LEU  13   6.396   2.118   3.526
   83   2HB   LEU  13          2HB       LEU  13   6.636   3.298   2.276
   84    HG   LEU  13           HG       LEU  13   6.050   5.084   4.100
   85   1HD1  LEU  13          2HD1      LEU  13   5.080   3.470   5.833
   86   2HD1  LEU  13          1HD1      LEU  13   6.659   2.726   5.948
   87   3HD1  LEU  13          3HD1      LEU  13   6.443   4.392   6.443
   88   1HD2  LEU  13          2HD2      LEU  13   8.509   3.325   4.418
   89   2HD2  LEU  13          1HD2      LEU  13   8.335   4.641   3.266
   90   3HD2  LEU  13          3HD2      LEU  13   8.369   4.978   4.990
   91    H    TYR  14           H        TYR  14   3.513   3.138   5.069
   92    HA   TYR  14           HA       TYR  14   3.482   0.347   5.760
   93   1HB   TYR  14          1HB       TYR  14   2.936   2.655   7.161
   94   2HB   TYR  14          2HB       TYR  14   1.299   2.053   6.952
   95    HD1  TYR  14           HD1      TYR  14   1.140  -0.686   7.341
   96    HD2  TYR  14           HD2      TYR  14   4.032   1.921   9.073
   97    HE1  TYR  14           HE1      TYR  14   1.530  -2.302   9.124
   98    HE2  TYR  14           HE2      TYR  14   4.408   0.299  10.874
   99    HH   TYR  14           HH       TYR  14   2.763  -2.831  10.905
  100    H    GLN  15           H        GLN  15   1.321   2.358   3.952
  101    HA   GLN  15           HA       GLN  15  -0.939   0.602   3.891
  102   1HB   GLN  15          1HB       GLN  15  -1.033   3.016   3.322
  103   2HB   GLN  15          2HB       GLN  15  -0.064   2.808   1.898
  104   1HG   GLN  15          2HG       GLN  15  -1.894   1.153   1.100
  105   2HG   GLN  15          1HG       GLN  15  -2.879   1.844   2.378
  106   1HE2  GLN  15          1HE2      GLN  15  -3.580   4.734   0.475
  107   2HE2  GLN  15          2HE2      GLN  15  -3.938   3.806   1.849
  108    H    LEU  16           H        LEU  16   2.106   0.873   2.002
  109    HA   LEU  16           HA       LEU  16   1.204  -1.127   0.081
  110   1HB   LEU  16          1HB       LEU  16   4.054  -0.122   0.608
  111   2HB   LEU  16          2HB       LEU  16   3.459  -0.908  -0.844
  112    HG   LEU  16           HG       LEU  16   2.508   1.851   0.104
  113   1HD1  LEU  16          1HD1      LEU  16   4.483   1.035  -2.073
  114   2HD1  LEU  16          3HD1      LEU  16   3.928   2.675  -1.789
  115   3HD1  LEU  16          2HD1      LEU  16   4.892   1.863  -0.570
  116   1HD2  LEU  16          1HD2      LEU  16   0.852   0.627  -1.359
  117   2HD2  LEU  16          3HD2      LEU  16   1.532   2.028  -2.159
  118   3HD2  LEU  16          2HD2      LEU  16   2.120   0.442  -2.567
  119    H    GLU  17           H        GLU  17   2.748  -0.976   3.150
  120    HA   GLU  17           HA       GLU  17   3.998  -3.579   3.128
  121   1HB   GLU  17          1HB       GLU  17   3.250  -1.601   5.294
  122   2HB   GLU  17          2HB       GLU  17   3.990  -3.126   5.688
  123   1HG   GLU  17          2HG       GLU  17   5.980  -2.642   4.404
  124   2HG   GLU  17          1HG       GLU  17   5.260  -1.254   3.618
  125    H    ASN  18           H        ASN  18   0.788  -2.575   3.291
  126    HA   ASN  18           HA       ASN  18  -0.361  -4.570   5.028
  127   1HB   ASN  18          1HB       ASN  18  -1.635  -2.539   4.334
  128   2HB   ASN  18          2HB       ASN  18  -1.553  -3.040   2.660
  129   1HD2  ASN  18          1HD2      ASN  18  -3.858  -5.732   4.629
  130   2HD2  ASN  18          2HD2      ASN  18  -2.200  -5.605   4.988
  131    H    TYR  19           H        TYR  19   1.056  -4.663   1.942
  132    HA   TYR  19           HA       TYR  19  -0.272  -7.206   1.138
  133   1HB   TYR  19          1HB       TYR  19   1.559  -5.311  -0.376
  134   2HB   TYR  19          2HB       TYR  19   0.769  -6.723  -1.069
  135    HD1  TYR  19           HD2      TYR  19  -1.708  -6.779  -1.310
  136    HD2  TYR  19           HD1      TYR  19   0.223  -3.321   0.228
  137    HE1  TYR  19           HE2      TYR  19  -3.756  -5.503  -1.619
  138    HE2  TYR  19           HE1      TYR  19  -1.826  -2.022  -0.095
  139    HH   TYR  19           HH       TYR  19  -4.666  -3.058  -0.293
  140    H    CYS  20           H        CYS  20   2.481  -6.164   2.713
  141    HA   CYS  20           HA       CYS  20   4.097  -8.545   1.933
  142   1HB   CYS  20          1HB       CYS  20   4.792  -5.860   3.116
  143   2HB   CYS  20          2HB       CYS  20   5.814  -7.228   3.432
  144    H    ASN  21           H        ASN  21   2.712  -6.980   4.890
  145    HA   ASN  21           HA       ASN  21   3.180  -9.601   6.281
  146   1HB   ASN  21          1HB       ASN  21   3.526  -8.402   8.401
  147   2HB   ASN  21          2HB       ASN  21   4.649  -7.760   7.218
  148   1HD2  ASN  21          1HD2      ASN  21   3.551  -4.487   7.858
  149   2HD2  ASN  21          2HD2      ASN  21   4.808  -5.543   7.405
  150   1H    PHE   1          1H        PHE  22   6.932  10.073   2.947
  151   2H    PHE   1          3H        PHE  22   6.111   9.612   4.361
  152   3H    PHE   1          2H        PHE  22   6.160   8.558   3.023
  153    HA   PHE   1           HA       PHE  22   4.317   9.431   2.234
  154   1HB   PHE   1          2HB       PHE  22   3.428   9.769   4.350
  155   2HB   PHE   1          1HB       PHE  22   4.665  10.921   4.831
  156    HD1  PHE   1           HD1      PHE  22   2.077  10.808   2.069
  157    HD2  PHE   1           HD2      PHE  22   3.735  12.965   5.371
  158    HE1  PHE   1           HE1      PHE  22   0.499  12.647   1.678
  159    HE2  PHE   1           HE2      PHE  22   2.149  14.777   4.972
  160    HZ   PHE   1           HZ       PHE  22   0.517  14.617   3.120
  161    H    VAL   2           H        VAL  23   4.264  10.413   0.391
  162    HA   VAL   2           HA       VAL  23   5.602  13.064  -0.001
  163    HB   VAL   2           HB       VAL  23   5.862  12.411  -2.398
  164   1HG1  VAL   2          1HG1      VAL  23   7.003  10.318  -0.514
  165   2HG1  VAL   2          3HG1      VAL  23   7.568  10.655  -2.146
  166   3HG1  VAL   2          2HG1      VAL  23   7.737  11.869  -0.897
  167   1HG2  VAL   2          2HG2      VAL  23   4.657   9.738  -1.545
  168   2HG2  VAL   2          1HG2      VAL  23   3.893  10.914  -2.601
  169   3HG2  VAL   2          3HG2      VAL  23   5.351  10.081  -3.114
  170    H    ASN   3           H        ASN  24   4.646  13.893  -2.240
  171    HA   ASN   3           HA       ASN  24   1.673  13.843  -2.228
  172   1HB   ASN   3          1HB       ASN  24   1.752  16.391  -2.462
  173   2HB   ASN   3          2HB       ASN  24   2.188  15.818  -0.859
  174   1HD2  ASN   3          1HD2      ASN  24   4.830  17.973  -2.991
  175   2HD2  ASN   3          2HD2      ASN  24   3.214  17.724  -3.460
  176    H    GLN   4           H        GLN  25   2.162  12.499  -4.133
  177    HA   GLN   4           HA       GLN  25   2.954  14.096  -6.494
  178   1HB   GLN   4          1HB       GLN  25   4.607  12.363  -5.830
  179   2HB   GLN   4          2HB       GLN  25   3.374  11.142  -5.763
  180   1HG   GLN   4          2HG       GLN  25   4.812  10.933  -7.777
  181   2HG   GLN   4          1HG       GLN  25   3.165  11.196  -8.280
  182   1HE2  GLN   4          1HE2      GLN  25   4.146  14.119 -10.047
  183   2HE2  GLN   4          2HE2      GLN  25   3.031  12.854  -9.885
  184    H    HIS   5           H        HIS  26   1.941  12.338  -8.507
  185    HA   HIS   5           HA       HIS  26  -0.994  12.263  -7.989
  186   1HB   HIS   5          1HB       HIS  26   0.516  12.365 -10.656
  187   2HB   HIS   5          2HB       HIS  26  -1.218  12.575 -10.433
  188    HD1  HIS   5           HD1      HIS  26  -1.741  14.849  -8.881
  189    HD2  HIS   5           HD2      HIS  26   1.950  14.644 -10.613
  190    HE1  HIS   5           HE1      HIS  26  -0.813  17.145  -8.833
  191    H    LEU   6           H        LEU  27  -0.198  10.349  -6.816
  192    HA   LEU   6           HA       LEU  27   0.600   7.957  -8.353
  193   1HB   LEU   6          1HB       LEU  27  -0.027   8.351  -5.377
  194   2HB   LEU   6          2HB       LEU  27   0.758   6.933  -6.048
  195    HG   LEU   6           HG       LEU  27   1.849   9.772  -6.201
  196   1HD1  LEU   6          1HD1      LEU  27   2.679   7.492  -4.377
  197   2HD1  LEU   6          3HD1      LEU  27   3.520   9.036  -4.548
  198   3HD1  LEU   6          2HD1      LEU  27   1.890   8.983  -3.898
  199   1HD2  LEU   6          2HD2      LEU  27   3.167   7.078  -6.874
  200   2HD2  LEU   6          1HD2      LEU  27   2.685   8.271  -8.053
  201   3HD2  LEU   6          3HD2      LEU  27   3.979   8.642  -6.943
  202    H    CYS   7           H        CYS  28  -1.183   7.660  -9.661
  203    HA   CYS   7           HA       CYS  28  -3.825   7.210  -8.353
  204   1HB   CYS   7          1HB       CYS  28  -3.241   7.583 -11.269
  205   2HB   CYS   7          2HB       CYS  28  -4.777   7.710 -10.464
  206    H    GLY   8           H        GLY  29  -2.006   5.032  -8.146
  207   1HA   GLY   8          1HA       GLY  29  -2.707   2.708  -8.188
  208   2HA   GLY   8          2HA       GLY  29  -3.586   2.959  -9.639
  209    H    SER   9           H        SER  30  -1.602   4.061 -11.409
  210    HA   SER   9           HA       SER  30  -0.097   1.971 -12.294
  211   1HB   SER   9          2HB       SER  30   1.233   3.643 -13.549
  212   2HB   SER   9          1HB       SER  30  -0.445   4.178 -13.444
  213    HG   SER   9           HG       SER  30   1.767   5.355 -12.330
  214    H    HIS  10           H        HIS  31   0.914   4.212  -9.879
  215    HA   HIS  10           HA       HIS  31   3.556   3.075  -9.570
  216   1HB   HIS  10          1HB       HIS  31   2.221   5.465  -8.286
  217   2HB   HIS  10          2HB       HIS  31   3.837   4.914  -7.884
  218    HD1  HIS  10           HD1      HIS  31   4.310   7.367  -9.038
  219    HD2  HIS  10           HD2      HIS  31   3.351   4.342 -11.594
  220    HE1  HIS  10           HE1      HIS  31   5.062   8.089 -11.284
  221    H    LEU  11           H        LEU  32   0.460   3.038  -8.013
  222    HA   LEU  11           HA       LEU  32   1.374   2.000  -5.466
  223   1HB   LEU  11          1HB       LEU  32  -1.406   1.712  -6.724
  224   2HB   LEU  11          2HB       LEU  32  -1.019   1.610  -5.023
  225    HG   LEU  11           HG       LEU  32  -0.795   4.139  -6.748
  226   1HD1  LEU  11          1HD1      LEU  32  -2.817   3.330  -4.620
  227   2HD1  LEU  11          3HD1      LEU  32  -2.745   4.912  -5.396
  228   3HD1  LEU  11          2HD1      LEU  32  -3.092   3.480  -6.343
  229   1HD2  LEU  11          2HD2      LEU  32  -0.436   3.785  -3.742
  230   2HD2  LEU  11          1HD2      LEU  32   0.843   4.143  -4.890
  231   3HD2  LEU  11          3HD2      LEU  32  -0.432   5.319  -4.606
  232    H    VAL  12           H        VAL  33   0.744   0.889  -8.577
  233    HA   VAL  12           HA       VAL  33   0.486  -1.965  -8.072
  234    HB   VAL  12           HB       VAL  33   0.359  -0.072 -10.452
  235   1HG1  VAL  12          1HG1      VAL  33   0.300  -3.123 -10.654
  236   2HG1  VAL  12          3HG1      VAL  33  -0.050  -1.995 -11.958
  237   3HG1  VAL  12          2HG1      VAL  33   1.571  -2.107 -11.313
  238   1HG2  VAL  12          1HG2      VAL  33  -1.589  -0.422  -8.984
  239   2HG2  VAL  12          3HG2      VAL  33  -1.909  -1.046 -10.575
  240   3HG2  VAL  12          2HG2      VAL  33  -1.500  -2.145  -9.252
  241    H    GLU  13           H        GLU  34   2.848   0.241  -9.686
  242    HA   GLU  13           HA       GLU  34   4.707  -1.924 -10.098
  243   1HB   GLU  13          1HB       GLU  34   4.833   0.333 -11.264
  244   2HB   GLU  13          2HB       GLU  34   5.497   0.969  -9.777
  245   1HG   GLU  13          2HG       GLU  34   7.174   0.397 -11.368
  246   2HG   GLU  13          1HG       GLU  34   7.399  -0.209  -9.739
  247    H    ALA  14           H        ALA  35   4.117   0.178  -7.296
  248    HA   ALA  14           HA       ALA  35   6.547  -0.590  -5.885
  249   1HB   ALA  14          2HB       ALA  35   5.431   1.574  -5.467
  250   2HB   ALA  14          1HB       ALA  35   3.992   0.739  -4.890
  251   3HB   ALA  14          3HB       ALA  35   5.499   0.627  -3.987
  252    H    LEU  15           H        LEU  36   3.200  -1.820  -5.986
  253    HA   LEU  15           HA       LEU  36   3.735  -3.547  -3.678
  254   1HB   LEU  15          1HB       LEU  36   1.279  -3.048  -5.428
  255   2HB   LEU  15          2HB       LEU  36   1.486  -4.709  -4.970
  256    HG   LEU  15           HG       LEU  36   1.318  -4.075  -2.607
  257   1HD1  LEU  15          1HD1      LEU  36   0.708  -1.263  -3.660
  258   2HD1  LEU  15          3HD1      LEU  36   0.552  -1.775  -2.004
  259   3HD1  LEU  15          2HD1      LEU  36   2.142  -1.693  -2.743
  260   1HD2  LEU  15          2HD2      LEU  36  -0.889  -3.103  -4.484
  261   2HD2  LEU  15          1HD2      LEU  36  -0.663  -4.740  -3.910
  262   3HD2  LEU  15          3HD2      LEU  36  -1.132  -3.509  -2.785
  263    H    TYR  16           H        TYR  37   3.526  -3.911  -7.147
  264    HA   TYR  16           HA       TYR  37   3.938  -6.737  -7.152
  265   1HB   TYR  16          1HB       TYR  37   4.503  -4.783  -9.407
  266   2HB   TYR  16          2HB       TYR  37   4.463  -6.515  -9.536
  267    HD1  TYR  16           HD2      TYR  37   1.774  -5.199  -7.377
  268    HD2  TYR  16           HD1      TYR  37   2.943  -6.021 -11.388
  269    HE1  TYR  16           HE2      TYR  37  -0.550  -5.143  -8.061
  270    HE2  TYR  16           HE1      TYR  37   0.604  -5.987 -12.072
  271    HH   TYR  16           HH       TYR  37  -1.538  -5.904 -11.375
  272    H    LEU  17           H        LEU  38   6.155  -4.204  -6.618
  273    HA   LEU  17           HA       LEU  38   8.455  -5.890  -7.460
  274   1HB   LEU  17          1HB       LEU  38   8.367  -3.601  -8.318
  275   2HB   LEU  17          2HB       LEU  38   8.289  -2.951  -6.705
  276    HG   LEU  17           HG       LEU  38  10.577  -3.976  -6.253
  277   1HD1  LEU  17          1HD1      LEU  38  10.533  -4.446  -9.269
  278   2HD1  LEU  17          3HD1      LEU  38  11.934  -4.659  -8.212
  279   3HD1  LEU  17          2HD1      LEU  38  10.544  -5.715  -8.058
  280   1HD2  LEU  17          2HD2      LEU  38  10.387  -2.025  -8.581
  281   2HD2  LEU  17          1HD2      LEU  38  10.330  -1.590  -6.877
  282   3HD2  LEU  17          3HD2      LEU  38  11.800  -2.261  -7.561
  283    H    VAL  18           H        VAL  39   6.920  -4.521  -4.583
  284    HA   VAL  18           HA       VAL  39   9.181  -5.516  -2.923
  285    HB   VAL  18           HB       VAL  39   6.872  -3.675  -2.136
  286   1HG1  VAL  18          1HG1      VAL  39   9.648  -4.248  -0.954
  287   2HG1  VAL  18          3HG1      VAL  39   8.526  -3.084  -0.278
  288   3HG1  VAL  18          2HG1      VAL  39   8.146  -4.803  -0.243
  289   1HG2  VAL  18          2HG2      VAL  39   9.696  -2.970  -3.093
  290   2HG2  VAL  18          1HG2      VAL  39   8.215  -2.611  -3.956
  291   3HG2  VAL  18          3HG2      VAL  39   8.540  -1.810  -2.433
  292    H    CYS  19           H        CYS  40   5.736  -5.662  -3.256
  293    HA   CYS  19           HA       CYS  40   5.568  -8.124  -1.529
  294   1HB   CYS  19          1HB       CYS  40   3.433  -6.018  -1.876
  295   2HB   CYS  19          2HB       CYS  40   3.449  -7.340  -0.745
  296    H    GLY  20           H        GLY  41   6.155  -8.064  -4.399
  297   1HA   GLY  20          1HA       GLY  41   3.574  -8.638  -5.730
  298   2HA   GLY  20          2HA       GLY  41   5.097  -8.313  -6.508
  299    H    GLU  21           H        GLU  42   6.363 -10.225  -4.558
  300    HA   GLU  21           HA       GLU  42   5.719 -12.762  -6.043
  301   1HB   GLU  21          1HB       GLU  42   8.248 -11.991  -4.493
  302   2HB   GLU  21          2HB       GLU  42   8.030 -13.439  -5.468
  303   1HG   GLU  21          2HG       GLU  42   9.400 -11.833  -6.729
  304   2HG   GLU  21          1HG       GLU  42   7.848 -12.035  -7.517
  305    H    ARG  22           H        ARG  43   4.132 -11.722  -4.110
  306    HA   ARG  22           HA       ARG  43   4.386 -13.738  -1.975
  307   1HB   ARG  22          1HB       ARG  43   5.611 -11.537  -1.441
  308   2HB   ARG  22          2HB       ARG  43   4.036 -10.796  -1.377
  309   1HG   ARG  22          2HG       ARG  43   4.038 -13.237   0.222
  310   2HG   ARG  22          1HG       ARG  43   5.393 -12.227   0.670
  311   1HD   ARG  22          2HD       ARG  43   3.773 -10.264   0.771
  312   2HD   ARG  22          1HD       ARG  43   2.455 -11.417   0.679
  313    HE   ARG  22           HE       ARG  43   4.504 -11.463   2.838
  314   1HH1  ARG  22          2HH2      ARG  43   3.433 -13.822   3.370
  315   2HH1  ARG  22          1HH2      ARG  43   1.887 -13.582   4.116
  316   1HH2  ARG  22          2HH1      ARG  43   1.633 -10.287   2.938
  317   2HH2  ARG  22          1HH1      ARG  43   0.829 -11.520   3.850
  318    H    GLY  23           H        GLY  44   2.560 -14.258  -3.579
  319   1HA   GLY  23          1HA       GLY  44   0.188 -14.133  -4.234
  320   2HA   GLY  23          2HA       GLY  44   0.214 -14.785  -2.642
  321    H    PHE  24           H        PHE  45   0.225 -11.299  -3.911
  322    HA   PHE  24           HA       PHE  45  -1.200 -10.632  -1.582
  323   1HB   PHE  24          1HB       PHE  45  -0.464  -8.320  -2.211
  324   2HB   PHE  24          2HB       PHE  45   0.922  -9.415  -2.100
  325    HD1  PHE  24           HD1      PHE  45   1.454 -10.592  -4.638
  326    HD2  PHE  24           HD2      PHE  45  -0.603  -6.904  -3.958
  327    HE1  PHE  24           HE1      PHE  45   1.888  -9.925  -6.917
  328    HE2  PHE  24           HE2      PHE  45  -0.135  -6.248  -6.260
  329    HZ   PHE  24           HZ       PHE  45   1.111  -7.744  -7.746
  330    H    PHE  25           H        PHE  46  -3.225  -8.927  -2.230
  331    HA   PHE  25           HA       PHE  46  -3.994  -8.884  -5.002
  332   1HB   PHE  25          1HB       PHE  46  -4.942 -11.047  -4.118
  333   2HB   PHE  25          2HB       PHE  46  -5.699 -10.160  -2.800
  334    HD1  PHE  25           HD2      PHE  46  -7.515  -8.557  -3.289
  335    HD2  PHE  25           HD1      PHE  46  -5.729 -10.798  -6.438
  336    HE1  PHE  25           HE2      PHE  46  -9.352  -7.931  -4.779
  337    HE2  PHE  25           HE1      PHE  46  -7.552 -10.178  -7.926
  338    HZ   PHE  25           HZ       PHE  46  -9.394  -8.733  -7.101
  339    H    TYR  26           H        TYR  47  -4.740  -6.801  -5.212
  340    HA   TYR  26           HA       TYR  47  -5.594  -5.420  -2.732
  341   1HB   TYR  26          1HB       TYR  47  -4.875  -3.282  -3.802
  342   2HB   TYR  26          2HB       TYR  47  -3.559  -4.410  -3.772
  343    HD1  TYR  26           HD2      TYR  47  -3.150  -5.828  -5.940
  344    HD2  TYR  26           HD1      TYR  47  -5.330  -2.173  -5.853
  345    HE1  TYR  26           HE2      TYR  47  -2.772  -5.535  -8.339
  346    HE2  TYR  26           HE1      TYR  47  -4.944  -1.893  -8.260
  347    HH   TYR  26           HH       TYR  47  -2.973  -4.218 -10.071
  348    H    THR  27           H        THR  48  -5.984  -5.187  -5.817
  349    HA   THR  27           HA       THR  48  -8.785  -5.982  -6.107
  350    HB   THR  27           HB       THR  48  -9.299  -3.970  -4.889
  351    HG1  THR  27           HG1      THR  48 -10.823  -3.812  -6.251
  352   1HG2  THR  27          1HG2      THR  48  -7.689  -2.384  -6.911
  353   2HG2  THR  27          3HG2      THR  48  -8.656  -1.744  -5.588
  354   3HG2  THR  27          2HG2      THR  48  -7.242  -2.709  -5.238
  355    HA   PRO  28           HA       PRO  49  -7.332  -5.554 -10.446
  356   1HB   PRO  28          1HB       PRO  49  -5.678  -7.536 -11.019
  357   2HB   PRO  28          2HB       PRO  49  -5.033  -6.110 -10.223
  358   1HG   PRO  28          2HG       PRO  49  -5.985  -8.734  -8.985
  359   2HG   PRO  28          1HG       PRO  49  -4.422  -7.967  -8.731
  360   1HD   PRO  28          1HD       PRO  49  -6.522  -7.618  -6.970
  361   2HD   PRO  28          2HD       PRO  49  -5.360  -6.341  -7.272
  362    H    LYS  29           H        LYS  50  -9.661  -6.181  -9.949
  363    HA   LYS  29           HA       LYS  50 -11.302  -8.050  -9.706
  364   1HB   LYS  29          1HB       LYS  50 -11.904  -6.359 -11.415
  365   2HB   LYS  29          2HB       LYS  50 -10.943  -7.197 -12.622
  366   1HG   LYS  29          2HG       LYS  50 -12.456  -9.223 -12.404
  367   2HG   LYS  29          1HG       LYS  50 -13.397  -8.364 -11.199
  368   1HD   LYS  29          2HD       LYS  50 -14.052  -6.690 -12.897
  369   2HD   LYS  29          1HD       LYS  50 -13.018  -7.452 -14.085
  370   1HE   LYS  29          2HE       LYS  50 -15.324  -8.239 -14.463
  371   2HE   LYS  29          1HE       LYS  50 -14.353  -9.577 -13.871
  372   1HZ   LYS  29          1HZ       LYS  50 -15.453  -8.286 -11.654
  373   2HZ   LYS  29          3HZ       LYS  50 -16.691  -8.532 -12.787
  374   3HZ   LYS  29          2HZ       LYS  50 -15.767  -9.849 -12.247
  375    H    THR  30           H        THR  51 -10.757 -10.022  -9.224
  376    HA   THR  30           HA       THR  51 -10.126 -11.903 -11.475
  377    HB   THR  30           HB       THR  51  -8.085 -11.434  -9.867
  378    HG1  THR  30           HG1      THR  51  -7.616 -13.313 -10.612
  379   1HG2  THR  30          2HG2      THR  51  -9.418 -11.744  -7.652
  380   2HG2  THR  30          1HG2      THR  51  -9.645 -13.421  -8.128
  381   3HG2  THR  30          3HG2      THR  51  -8.024 -12.787  -7.861
   
  No H/Q in entry =         381
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  -6.205  -2.538  -0.493
    2   2H    GLY   1          3H        GLY   1  -7.580  -2.517   0.509
    3   3H    GLY   1          2H        GLY   1  -7.438  -3.656  -0.748
    4   1HA   GLY   1          2HA       GLY   1  -8.406  -2.328  -2.174
    5   2HA   GLY   1          1HA       GLY   1  -8.670  -1.185  -0.858
    6    H    ILE   2           H        ILE   2  -7.438   0.617  -0.761
    7    HA   ILE   2           HA       ILE   2  -6.016   2.354  -1.480
    8    HB   ILE   2           HB       ILE   2  -4.152   0.175  -2.514
    9   1HG1  ILE   2          2HG1      ILE   2  -4.949  -0.677  -0.311
   10   2HG1  ILE   2          1HG1      ILE   2  -3.308  -0.117  -0.158
   11   1HG2  ILE   2          1HG2      ILE   2  -3.650   2.807  -1.084
   12   2HG2  ILE   2          3HG2      ILE   2  -2.384   1.653  -1.504
   13   3HG2  ILE   2          2HG2      ILE   2  -3.240   2.477  -2.746
   14   1HD1  ILE   2          1HD       ILE   2  -5.768   1.499   0.705
   15   2HD1  ILE   2          3HD       ILE   2  -4.654   0.653   1.762
   16   3HD1  ILE   2          2HD       ILE   2  -4.104   2.029   0.856
   17    H    VAL   3           H        VAL   3  -4.494   2.603  -3.717
   18    HA   VAL   3           HA       VAL   3  -4.725   3.390  -5.924
   19    HB   VAL   3           HB       VAL   3  -4.799   1.590  -7.490
   20   1HG1  VAL   3          2HG1      VAL   3  -2.997   1.234  -5.836
   21   2HG1  VAL   3          1HG1      VAL   3  -4.082   0.275  -4.852
   22   3HG1  VAL   3          3HG1      VAL   3  -3.592  -0.300  -6.428
   23   1HG2  VAL   3          1HG2      VAL   3  -7.098   0.617  -7.051
   24   2HG2  VAL   3          3HG2      VAL   3  -5.877  -0.605  -7.171
   25   3HG2  VAL   3          2HG2      VAL   3  -6.481  -0.152  -5.596
   26    H    GLU   4           H        GLU   4  -6.519   2.862  -7.921
   27    HA   GLU   4           HA       GLU   4  -8.522   3.811  -8.719
   28   1HB   GLU   4          1HB       GLU   4  -9.157   1.620  -7.547
   29   2HB   GLU   4          2HB       GLU   4  -9.578   2.566  -6.138
   30   1HG   GLU   4          2HG       GLU   4 -11.624   2.131  -7.188
   31   2HG   GLU   4          1HG       GLU   4 -11.284   3.791  -7.659
   32    H    GLN   5           H        GLN   5  -7.345   5.713  -8.091
   33    HA   GLN   5           HA       GLN   5  -8.296   8.035  -7.776
   34   1HB   GLN   5          1HB       GLN   5  -9.633   7.344  -5.571
   35   2HB   GLN   5          2HB       GLN   5  -8.071   7.201  -4.796
   36   1HG   GLN   5          2HG       GLN   5  -9.416   9.382  -4.455
   37   2HG   GLN   5          1HG       GLN   5  -7.723   9.569  -4.811
   38   1HE2  GLN   5          1HE2      GLN   5 -10.467  11.264  -7.239
   39   2HE2  GLN   5          2HE2      GLN   5 -10.928  10.463  -5.807
   40    H    CYS   6           H        CYS   6  -6.581   9.620  -6.739
   41    HA   CYS   6           HA       CYS   6  -3.928   8.256  -6.876
   42   1HB   CYS   6          1HB       CYS   6  -4.457  11.163  -7.220
   43   2HB   CYS   6          2HB       CYS   6  -3.050  10.292  -7.760
   44    H    CYS   7           H        CYS   7  -2.441   8.552  -5.456
   45    HA   CYS   7           HA       CYS   7  -1.531   8.663  -3.338
   46   1HB   CYS   7          1HB       CYS   7  -1.655  11.135  -4.593
   47   2HB   CYS   7          2HB       CYS   7  -2.340  11.552  -3.029
   48    H    THR   8           H        THR   8  -3.889   7.664  -3.524
   49    HA   THR   8           HA       THR   8  -6.185   7.740  -2.625
   50    HB   THR   8           HB       THR   8  -5.847   5.640  -1.172
   51    HG1  THR   8           HG1      THR   8  -3.957   6.137  -0.153
   52   1HG2  THR   8          2HG2      THR   8  -5.683   5.540  -3.783
   53   2HG2  THR   8          1HG2      THR   8  -3.954   5.817  -3.580
   54   3HG2  THR   8          3HG2      THR   8  -4.697   4.378  -2.913
   55    H    SER   9           H        SER   9  -3.862   8.013   0.002
   56    HA   SER   9           HA       SER   9  -5.808   9.618   1.552
   57   1HB   SER   9          2HB       SER   9  -5.305   8.055   3.582
   58   2HB   SER   9          1HB       SER   9  -6.258   7.320   2.289
   59    HG   SER   9           HG       SER   9  -4.695   5.988   2.006
   60    H    ILE  10           H        ILE  10  -2.756   8.063   2.010
   61    HA   ILE  10           HA       ILE  10  -1.429  10.683   2.563
   62    HB   ILE  10           HB       ILE  10  -0.757   8.232   4.230
   63   1HG1  ILE  10          2HG1      ILE  10  -2.981  10.268   4.845
   64   2HG1  ILE  10          1HG1      ILE  10  -3.201   8.558   4.520
   65   1HG2  ILE  10          2HG2      ILE  10   0.780  10.245   4.287
   66   2HG2  ILE  10          1HG2      ILE  10  -0.567  11.244   4.803
   67   3HG2  ILE  10          3HG2      ILE  10   0.035   9.979   5.840
   68   1HD1  ILE  10          2HD       ILE  10  -1.932   7.968   6.568
   69   2HD1  ILE  10          1HD       ILE  10  -1.713   9.670   6.919
   70   3HD1  ILE  10          3HD       ILE  10  -3.324   8.976   6.924
   71    H    CYS  11           H        CYS  11  -1.459   8.154   0.566
   72    HA   CYS  11           HA       CYS  11   0.224   6.799  -0.495
   73   1HB   CYS  11          1HB       CYS  11   1.731   8.724  -1.702
   74   2HB   CYS  11          2HB       CYS  11   0.109   8.343  -2.173
   75    H    SER  12           H        SER  12   1.005   6.243   1.763
   76    HA   SER  12           HA       SER  12   3.901   6.864   2.049
   77   1HB   SER  12          2HB       SER  12   3.564   6.690   4.549
   78   2HB   SER  12          1HB       SER  12   2.490   7.921   3.846
   79    HG   SER  12           HG       SER  12   0.966   6.767   4.672
   80    H    LEU  13           H        LEU  13   5.205   5.305   2.479
   81    HA   LEU  13           HA       LEU  13   5.039   2.775   1.517
   82   1HB   LEU  13          1HB       LEU  13   6.963   2.240   3.235
   83   2HB   LEU  13          2HB       LEU  13   7.176   3.369   1.935
   84    HG   LEU  13           HG       LEU  13   6.666   5.229   3.706
   85   1HD1  LEU  13          2HD1      LEU  13   5.732   3.694   5.529
   86   2HD1  LEU  13          1HD1      LEU  13   7.307   2.936   5.623
   87   3HD1  LEU  13          3HD1      LEU  13   7.123   4.622   6.061
   88   1HD2  LEU  13          2HD2      LEU  13   9.114   3.456   4.016
   89   2HD2  LEU  13          1HD2      LEU  13   8.918   4.728   2.821
   90   3HD2  LEU  13          3HD2      LEU  13   9.010   5.131   4.528
   91    H    TYR  14           H        TYR  14   4.139   3.351   4.826
   92    HA   TYR  14           HA       TYR  14   4.101   0.588   5.623
   93   1HB   TYR  14          1HB       TYR  14   3.622   2.953   6.951
   94   2HB   TYR  14          2HB       TYR  14   1.973   2.364   6.815
   95    HD1  TYR  14           HD1      TYR  14   1.798  -0.357   7.314
   96    HD2  TYR  14           HD2      TYR  14   4.770   2.281   8.856
   97    HE1  TYR  14           HE1      TYR  14   2.225  -1.909   9.144
   98    HE2  TYR  14           HE2      TYR  14   5.183   0.724  10.705
   99    HH   TYR  14           HH       TYR  14   3.507  -2.384  10.906
  100    H    GLN  15           H        GLN  15   1.907   2.554   3.806
  101    HA   GLN  15           HA       GLN  15  -0.373   0.824   3.881
  102   1HB   GLN  15          1HB       GLN  15  -0.459   3.215   3.223
  103   2HB   GLN  15          2HB       GLN  15   0.463   2.943   1.780
  104   1HG   GLN  15          2HG       GLN  15  -1.408   1.280   1.102
  105   2HG   GLN  15          1HG       GLN  15  -2.345   2.030   2.382
  106   1HE2  GLN  15          1HE2      GLN  15  -3.074   4.853   0.392
  107   2HE2  GLN  15          2HE2      GLN  15  -3.401   3.982   1.811
  108    H    LEU  16           H        LEU  16   2.614   0.988   1.891
  109    HA   LEU  16           HA       LEU  16   1.633  -1.074   0.076
  110   1HB   LEU  16          1HB       LEU  16   4.509  -0.082   0.478
  111   2HB   LEU  16          2HB       LEU  16   3.861  -0.916  -0.923
  112    HG   LEU  16           HG       LEU  16   2.969   1.888  -0.053
  113   1HD1  LEU  16          1HD1      LEU  16   4.866   0.967  -2.257
  114   2HD1  LEU  16          3HD1      LEU  16   4.338   2.623  -2.020
  115   3HD1  LEU  16          2HD1      LEU  16   5.330   1.847  -0.801
  116   1HD2  LEU  16          1HD2      LEU  16   1.255   0.629  -1.417
  117   2HD2  LEU  16          3HD2      LEU  16   1.925   1.991  -2.291
  118   3HD2  LEU  16          2HD2      LEU  16   2.484   0.384  -2.656
  119    H    GLU  17           H        GLU  17   3.273  -0.825   3.090
  120    HA   GLU  17           HA       GLU  17   4.495  -3.440   3.129
  121   1HB   GLU  17          1HB       GLU  17   3.835  -1.373   5.239
  122   2HB   GLU  17          2HB       GLU  17   4.570  -2.891   5.669
  123   1HG   GLU  17          2HG       GLU  17   6.526  -2.479   4.307
  124   2HG   GLU  17          1HG       GLU  17   5.796  -1.113   3.492
  125    H    ASN  18           H        ASN  18   1.302  -2.394   3.351
  126    HA   ASN  18           HA       ASN  18   0.187  -4.308   5.197
  127   1HB   ASN  18          1HB       ASN  18  -1.088  -2.291   4.465
  128   2HB   ASN  18          2HB       ASN  18  -1.062  -2.856   2.810
  129   1HD2  ASN  18          1HD2      ASN  18  -3.333  -5.444   4.950
  130   2HD2  ASN  18          2HD2      ASN  18  -1.664  -5.323   5.253
  131    H    TYR  19           H        TYR  19   1.507  -4.535   2.076
  132    HA   TYR  19           HA       TYR  19   0.128  -7.091   1.410
  133   1HB   TYR  19          1HB       TYR  19   1.930  -5.276  -0.230
  134   2HB   TYR  19          2HB       TYR  19   1.106  -6.704  -0.845
  135    HD1  TYR  19           HD2      TYR  19  -1.377  -6.740  -1.007
  136    HD2  TYR  19           HD1      TYR  19   0.635  -3.249   0.338
  137    HE1  TYR  19           HE2      TYR  19  -3.422  -5.453  -1.303
  138    HE2  TYR  19           HE1      TYR  19  -1.410  -1.940   0.027
  139    HH   TYR  19           HH       TYR  19  -4.265  -2.949  -0.044
  140    H    CYS  20           H        CYS  20   2.939  -6.022   2.859
  141    HA   CYS  20           HA       CYS  20   4.505  -8.449   2.122
  142   1HB   CYS  20          1HB       CYS  20   5.265  -5.729   3.181
  143   2HB   CYS  20          2HB       CYS  20   6.281  -7.095   3.517
  144    H    ASN  21           H        ASN  21   3.228  -6.756   5.059
  145    HA   ASN  21           HA       ASN  21   3.712  -9.329   6.534
  146   1HB   ASN  21          1HB       ASN  21   4.136  -8.054   8.595
  147   2HB   ASN  21          2HB       ASN  21   5.228  -7.470   7.355
  148   1HD2  ASN  21          1HD2      ASN  21   4.185  -4.164   7.902
  149   2HD2  ASN  21          2HD2      ASN  21   5.416  -5.250   7.451
  150   1H    PHE   1          1H        PHE  22   7.563  10.160   2.337
  151   2H    PHE   1          3H        PHE  22   6.782   9.762   3.792
  152   3H    PHE   1          2H        PHE  22   6.778   8.658   2.495
  153    HA   PHE   1           HA       PHE  22   4.921   9.522   1.729
  154   1HB   PHE   1          2HB       PHE  22   4.102   9.951   3.856
  155   2HB   PHE   1          1HB       PHE  22   5.364  11.106   4.255
  156    HD1  PHE   1           HD1      PHE  22   2.692  10.918   1.580
  157    HD2  PHE   1           HD2      PHE  22   4.473  13.179   4.744
  158    HE1  PHE   1           HE1      PHE  22   1.121  12.759   1.167
  159    HE2  PHE   1           HE2      PHE  22   2.893  14.993   4.326
  160    HZ   PHE   1           HZ       PHE  22   1.204  14.781   2.531
  161    H    VAL   2           H        VAL  23   4.821  10.434  -0.148
  162    HA   VAL   2           HA       VAL  23   6.173  13.053  -0.683
  163    HB   VAL   2           HB       VAL  23   6.353  12.306  -3.059
  164   1HG1  VAL   2          1HG1      VAL  23   7.531  10.273  -1.132
  165   2HG1  VAL   2          3HG1      VAL  23   8.048  10.542  -2.792
  166   3HG1  VAL   2          2HG1      VAL  23   8.268  11.800  -1.596
  167   1HG2  VAL   2          2HG2      VAL  23   5.148   9.682  -2.068
  168   2HG2  VAL   2          1HG2      VAL  23   4.363  10.825  -3.144
  169   3HG2  VAL   2          3HG2      VAL  23   5.796   9.958  -3.670
  170    H    ASN   3           H        ASN  24   5.158  13.807  -2.921
  171    HA   ASN   3           HA       ASN  24   2.186  13.792  -2.816
  172   1HB   ASN   3          1HB       ASN  24   2.284  16.329  -3.150
  173   2HB   ASN   3          2HB       ASN  24   2.763  15.812  -1.540
  174   1HD2  ASN   3          1HD2      ASN  24   5.360  17.852  -3.832
  175   2HD2  ASN   3          2HD2      ASN  24   3.728  17.605  -4.243
  176    H    GLN   4           H        GLN  25   2.602  12.371  -4.683
  177    HA   GLN   4           HA       GLN  25   3.337  13.868  -7.126
  178   1HB   GLN   4          1HB       GLN  25   4.992  12.143  -6.447
  179   2HB   GLN   4          2HB       GLN  25   3.750  10.939  -6.296
  180   1HG   GLN   4          2HG       GLN  25   5.123  10.638  -8.343
  181   2HG   GLN   4          1HG       GLN  25   3.464  10.901  -8.805
  182   1HE2  GLN   4          1HE2      GLN  25   4.420  13.742 -10.712
  183   2HE2  GLN   4          2HE2      GLN  25   3.296  12.497 -10.468
  184    H    HIS   5           H        HIS  26   2.245  12.047  -9.039
  185    HA   HIS   5           HA       HIS  26  -0.673  12.025  -8.428
  186   1HB   HIS   5          1HB       HIS  26   0.754  12.009 -11.142
  187   2HB   HIS   5          2HB       HIS  26  -0.969  12.247 -10.875
  188    HD1  HIS   5           HD1      HIS  26  -1.420  14.584  -9.396
  189    HD2  HIS   5           HD2      HIS  26   2.212  14.271 -11.231
  190    HE1  HIS   5           HE1      HIS  26  -0.468  16.870  -9.463
  191    H    LEU   6           H        LEU  27   0.138  10.148  -7.208
  192    HA   LEU   6           HA       LEU  27   0.864   7.691  -8.676
  193   1HB   LEU   6          1HB       LEU  27   0.334   8.204  -5.700
  194   2HB   LEU   6          2HB       LEU  27   1.082   6.753  -6.340
  195    HG   LEU   6           HG       LEU  27   2.198   9.571  -6.634
  196   1HD1  LEU   6          1HD1      LEU  27   3.060   7.352  -4.750
  197   2HD1  LEU   6          3HD1      LEU  27   3.911   8.879  -5.006
  198   3HD1  LEU   6          2HD1      LEU  27   2.301   8.870  -4.306
  199   1HD2  LEU   6          2HD2      LEU  27   3.466   6.839  -7.244
  200   2HD2  LEU   6          1HD2      LEU  27   2.960   7.992  -8.453
  201   3HD2  LEU   6          3HD2      LEU  27   4.292   8.389  -7.397
  202    H    CYS   7           H        CYS  28  -0.961   7.365  -9.918
  203    HA   CYS   7           HA       CYS  28  -3.566   6.996  -8.513
  204   1HB   CYS   7          1HB       CYS  28  -3.070   7.251 -11.458
  205   2HB   CYS   7          2HB       CYS  28  -4.578   7.426 -10.612
  206    H    GLY   8           H        GLY  29  -1.765   4.805  -8.279
  207   1HA   GLY   8          1HA       GLY  29  -2.491   2.490  -8.209
  208   2HA   GLY   8          2HA       GLY  29  -3.412   2.696  -9.642
  209    H    SER   9           H        SER  30  -1.472   3.708 -11.512
  210    HA   SER   9           HA       SER  30  -0.017   1.569 -12.363
  211   1HB   SER   9          2HB       SER  30   1.292   3.176 -13.720
  212   2HB   SER   9          1HB       SER  30  -0.377   3.734 -13.585
  213    HG   SER   9           HG       SER  30   1.880   4.926 -12.584
  214    H    HIS  10           H        HIS  31   1.091   3.887 -10.066
  215    HA   HIS  10           HA       HIS  31   3.731   2.732  -9.795
  216   1HB   HIS  10          1HB       HIS  31   2.460   5.184  -8.563
  217   2HB   HIS  10          2HB       HIS  31   4.082   4.631  -8.191
  218    HD1  HIS  10           HD1      HIS  31   4.545   7.033  -9.451
  219    HD2  HIS  10           HD2      HIS  31   3.476   3.924 -11.858
  220    HE1  HIS  10           HE1      HIS  31   5.235   7.660 -11.744
  221    H    LEU  11           H        LEU  32   0.683   2.790  -8.144
  222    HA   LEU  11           HA       LEU  32   1.665   1.838  -5.588
  223   1HB   LEU  11          1HB       LEU  32  -1.155   1.535  -6.749
  224   2HB   LEU  11          2HB       LEU  32  -0.717   1.493  -5.059
  225    HG   LEU  11           HG       LEU  32  -0.521   3.952  -6.885
  226   1HD1  LEU  11          1HD1      LEU  32  -2.484   3.248  -4.667
  227   2HD1  LEU  11          3HD1      LEU  32  -2.419   4.798  -5.505
  228   3HD1  LEU  11          2HD1      LEU  32  -2.810   3.336  -6.384
  229   1HD2  LEU  11          2HD2      LEU  32  -0.072   3.709  -3.879
  230   2HD2  LEU  11          1HD2      LEU  32   1.174   4.008  -5.079
  231   3HD2  LEU  11          3HD2      LEU  32  -0.079   5.209  -4.801
  232    H    VAL  12           H        VAL  33   0.927   0.618  -8.634
  233    HA   VAL  12           HA       VAL  33   0.656  -2.212  -8.013
  234    HB   VAL  12           HB       VAL  33   0.475  -0.409 -10.458
  235   1HG1  VAL  12          1HG1      VAL  33   0.377  -3.465 -10.541
  236   2HG1  VAL  12          3HG1      VAL  33   0.000  -2.384 -11.876
  237   3HG1  VAL  12          2HG1      VAL  33   1.639  -2.490 -11.276
  238   1HG2  VAL  12          1HG2      VAL  33  -1.430  -0.680  -8.919
  239   2HG2  VAL  12          3HG2      VAL  33  -1.806  -1.361 -10.475
  240   3HG2  VAL  12          2HG2      VAL  33  -1.368  -2.414  -9.123
  241    H    GLU  13           H        GLU  34   2.989  -0.097  -9.781
  242    HA   GLU  13           HA       GLU  34   4.813  -2.296 -10.166
  243   1HB   GLU  13          1HB       GLU  34   4.926  -0.086 -11.421
  244   2HB   GLU  13          2HB       GLU  34   5.642   0.598  -9.980
  245   1HG   GLU  13          2HG       GLU  34   7.262  -0.054 -11.599
  246   2HG   GLU  13          1HG       GLU  34   7.532  -0.600  -9.955
  247    H    ALA  14           H        ALA  35   4.331  -0.083  -7.430
  248    HA   ALA  14           HA       ALA  35   6.795  -0.825  -6.065
  249   1HB   ALA  14          2HB       ALA  35   5.716   1.366  -5.697
  250   2HB   ALA  14          1HB       ALA  35   4.286   0.571  -5.044
  251   3HB   ALA  14          3HB       ALA  35   5.819   0.476  -4.184
  252    H    LEU  15           H        LEU  36   3.434  -2.019  -6.017
  253    HA   LEU  15           HA       LEU  36   4.023  -3.663  -3.662
  254   1HB   LEU  15          1HB       LEU  36   1.519  -3.203  -5.354
  255   2HB   LEU  15          2HB       LEU  36   1.724  -4.848  -4.840
  256    HG   LEU  15           HG       LEU  36   1.634  -4.123  -2.498
  257   1HD1  LEU  15          2HD1      LEU  36   2.478  -1.757  -2.751
  258   2HD1  LEU  15          1HD1      LEU  36   1.021  -1.345  -3.639
  259   3HD1  LEU  15          3HD1      LEU  36   0.911  -1.793  -1.961
  260   1HD2  LEU  15          2HD2      LEU  36  -0.620  -3.197  -4.343
  261   2HD2  LEU  15          1HD2      LEU  36  -0.394  -4.814  -3.714
  262   3HD2  LEU  15          3HD2      LEU  36  -0.814  -3.535  -2.624
  263    H    TYR  16           H        TYR  37   3.703  -4.156  -7.106
  264    HA   TYR  16           HA       TYR  37   4.084  -6.985  -7.016
  265   1HB   TYR  16          1HB       TYR  37   4.601  -5.124  -9.360
  266   2HB   TYR  16          2HB       TYR  37   4.539  -6.859  -9.421
  267    HD1  TYR  16           HD2      TYR  37   1.931  -5.431  -7.234
  268    HD2  TYR  16           HD1      TYR  37   2.967  -6.419 -11.244
  269    HE1  TYR  16           HE2      TYR  37  -0.412  -5.375  -7.849
  270    HE2  TYR  16           HE1      TYR  37   0.609  -6.384 -11.857
  271    HH   TYR  16           HH       TYR  37  -1.509  -6.250 -11.099
  272    H    LEU  17           H        LEU  38   6.343  -4.460  -6.647
  273    HA   LEU  17           HA       LEU  38   8.598  -6.202  -7.494
  274   1HB   LEU  17          1HB       LEU  38   8.508  -3.946  -8.436
  275   2HB   LEU  17          2HB       LEU  38   8.486  -3.235  -6.847
  276    HG   LEU  17           HG       LEU  38  10.777  -4.269  -6.426
  277   1HD1  LEU  17          1HD1      LEU  38  10.634  -4.852  -9.419
  278   2HD1  LEU  17          3HD1      LEU  38  12.066  -5.041  -8.397
  279   3HD1  LEU  17          2HD1      LEU  38  10.670  -6.075  -8.161
  280   1HD2  LEU  17          2HD2      LEU  38  10.535  -2.405  -8.820
  281   2HD2  LEU  17          1HD2      LEU  38  10.536  -1.906  -7.133
  282   3HD2  LEU  17          3HD2      LEU  38  11.977  -2.618  -7.835
  283    H    VAL  18           H        VAL  39   7.168  -4.707  -4.626
  284    HA   VAL  18           HA       VAL  39   9.469  -5.665  -2.999
  285    HB   VAL  18           HB       VAL  39   7.204  -3.769  -2.212
  286   1HG1  VAL  18          1HG1      VAL  39  10.009  -4.329  -1.095
  287   2HG1  VAL  18          3HG1      VAL  39   8.920  -3.128  -0.430
  288   3HG1  VAL  18          2HG1      VAL  39   8.524  -4.839  -0.317
  289   1HG2  VAL  18          2HG2      VAL  39  10.004  -3.133  -3.281
  290   2HG2  VAL  18          1HG2      VAL  39   8.501  -2.791  -4.113
  291   3HG2  VAL  18          3HG2      VAL  39   8.881  -1.936  -2.631
  292    H    CYS  19           H        CYS  40   6.013  -5.783  -3.221
  293    HA   CYS  19           HA       CYS  40   5.874  -8.176  -1.396
  294   1HB   CYS  19          1HB       CYS  40   3.751  -6.060  -1.758
  295   2HB   CYS  19          2HB       CYS  40   3.787  -7.339  -0.579
  296    H    GLY  20           H        GLY  41   6.372  -8.232  -4.284
  297   1HA   GLY  20          1HA       GLY  41   3.745  -8.826  -5.511
  298   2HA   GLY  20          2HA       GLY  41   5.248  -8.548  -6.348
  299    H    GLU  21           H        GLU  42   6.553 -10.400  -4.365
  300    HA   GLU  21           HA       GLU  42   5.837 -12.983  -5.733
  301   1HB   GLU  21          1HB       GLU  42   8.420 -12.184  -4.290
  302   2HB   GLU  21          2HB       GLU  42   8.157 -13.665  -5.202
  303   1HG   GLU  21          2HG       GLU  42   9.505 -12.124  -6.565
  304   2HG   GLU  21          1HG       GLU  42   7.926 -12.338  -7.296
  305    H    ARG  22           H        ARG  43   4.321 -11.854  -3.793
  306    HA   ARG  22           HA       ARG  43   4.620 -13.789  -1.591
  307   1HB   ARG  22          1HB       ARG  43   5.884 -11.584  -1.180
  308   2HB   ARG  22          2HB       ARG  43   4.319 -10.823  -1.096
  309   1HG   ARG  22          2HG       ARG  43   4.345 -13.201   0.595
  310   2HG   ARG  22          1HG       ARG  43   5.724 -12.191   0.962
  311   1HD   ARG  22          2HD       ARG  43   4.128 -10.207   1.037
  312   2HD   ARG  22          1HD       ARG  43   2.796 -11.348   1.030
  313    HE   ARG  22           HE       ARG  43   4.909 -11.335   3.125
  314   1HH1  ARG  22          2HH2      ARG  43   3.832 -13.660   3.780
  315   2HH1  ARG  22          1HH2      ARG  43   2.312 -13.373   4.563
  316   1HH2  ARG  22          1HH1      ARG  43   2.056 -10.123   3.268
  317   2HH2  ARG  22          2HH1      ARG  43   1.267 -11.311   4.250
  318    H    GLY  23           H        GLY  44   2.740 -14.349  -3.118
  319   1HA   GLY  23          1HA       GLY  44   0.350 -14.221  -3.705
  320   2HA   GLY  23          2HA       GLY  44   0.418 -14.812  -2.090
  321    H    PHE  24           H        PHE  45   0.427 -11.378  -3.491
  322    HA   PHE  24           HA       PHE  45  -0.918 -10.606  -1.147
  323   1HB   PHE  24          1HB       PHE  45  -0.179  -8.329  -1.886
  324   2HB   PHE  24          2HB       PHE  45   1.198  -9.435  -1.776
  325    HD1  PHE  24           HD1      PHE  45   1.640 -10.713  -4.282
  326    HD2  PHE  24           HD2      PHE  45  -0.357  -6.978  -3.680
  327    HE1  PHE  24           HE1      PHE  45   2.010 -10.138  -6.597
  328    HE2  PHE  24           HE2      PHE  45   0.047  -6.415  -6.020
  329    HZ   PHE  24           HZ       PHE  45   1.230  -7.981  -7.485
  330    H    PHE  25           H        PHE  46  -2.945  -8.904  -1.798
  331    HA   PHE  25           HA       PHE  46  -3.799  -8.957  -4.545
  332   1HB   PHE  25          1HB       PHE  46  -4.741 -11.074  -3.551
  333   2HB   PHE  25          2HB       PHE  46  -5.447 -10.129  -2.245
  334    HD1  PHE  25           HD2      PHE  46  -7.262  -8.525  -2.739
  335    HD2  PHE  25           HD1      PHE  46  -5.596 -10.904  -5.853
  336    HE1  PHE  25           HE2      PHE  46  -9.137  -7.935  -4.197
  337    HE2  PHE  25           HE1      PHE  46  -7.458 -10.320  -7.307
  338    HZ   PHE  25           HZ       PHE  46  -9.258  -8.824  -6.483
  339    H    TYR  26           H        TYR  47  -4.530  -6.875  -4.812
  340    HA   TYR  26           HA       TYR  47  -5.292  -5.391  -2.361
  341   1HB   TYR  26          1HB       TYR  47  -4.585  -3.305  -3.533
  342   2HB   TYR  26          2HB       TYR  47  -3.280  -4.444  -3.501
  343    HD1  TYR  26           HD2      TYR  47  -2.953  -5.949  -5.624
  344    HD2  TYR  26           HD1      TYR  47  -5.091  -2.268  -5.610
  345    HE1  TYR  26           HE2      TYR  47  -2.646  -5.752  -8.043
  346    HE2  TYR  26           HE1      TYR  47  -4.776  -2.084  -8.038
  347    HH   TYR  26           HH       TYR  47  -2.887  -4.499  -9.817
  348    H    THR  27           H        THR  48  -5.775  -5.271  -5.441
  349    HA   THR  27           HA       THR  48  -8.591  -6.045  -5.615
  350    HB   THR  27           HB       THR  48  -9.046  -3.982  -4.459
  351    HG1  THR  27           HG1      THR  48 -10.611  -3.858  -5.779
  352   1HG2  THR  27          1HG2      THR  48  -7.483  -2.492  -6.588
  353   2HG2  THR  27          3HG2      THR  48  -8.402  -1.791  -5.261
  354   3HG2  THR  27          2HG2      THR  48  -6.988  -2.758  -4.918
  355    HA   PRO  28           HA       PRO  49  -7.268  -5.798 -10.008
  356   1HB   PRO  28          1HB       PRO  49  -5.654  -7.819 -10.555
  357   2HB   PRO  28          2HB       PRO  49  -4.971  -6.371  -9.834
  358   1HG   PRO  28          2HG       PRO  49  -5.910  -8.935  -8.469
  359   2HG   PRO  28          1HG       PRO  49  -4.331  -8.177  -8.291
  360   1HD   PRO  28          1HD       PRO  49  -6.373  -7.738  -6.482
  361   2HD   PRO  28          2HD       PRO  49  -5.208  -6.487  -6.868
  362    H    LYS  29           H        LYS  50  -9.587  -6.379  -9.417
  363    HA   LYS  29           HA       LYS  50 -11.240  -8.218  -9.052
  364   1HB   LYS  29          1HB       LYS  50 -11.876  -6.586 -10.807
  365   2HB   LYS  29          2HB       LYS  50 -10.962  -7.480 -12.009
  366   1HG   LYS  29          2HG       LYS  50 -12.488  -9.479 -11.668
  367   2HG   LYS  29          1HG       LYS  50 -13.383  -8.564 -10.469
  368   1HD   LYS  29          2HD       LYS  50 -14.073  -6.948 -12.209
  369   2HD   LYS  29          1HD       LYS  50 -13.083  -7.767 -13.398
  370   1HE   LYS  29          2HE       LYS  50 -15.408  -8.541 -13.675
  371   2HE   LYS  29          1HE       LYS  50 -14.434  -9.866 -13.061
  372   1HZ   LYS  29          1HZ       LYS  50 -15.452  -8.479 -10.864
  373   2HZ   LYS  29          3HZ       LYS  50 -16.726  -8.754 -11.948
  374   3HZ   LYS  29          2HZ       LYS  50 -15.800 -10.061 -11.387
  375    H    THR  30           H        THR  51 -10.700 -10.176  -8.513
  376    HA   THR  30           HA       THR  51 -10.159 -12.149 -10.709
  377    HB   THR  30           HB       THR  51  -8.064 -11.642  -9.182
  378    HG1  THR  30           HG1      THR  51  -7.637 -13.554  -9.869
  379   1HG2  THR  30          2HG2      THR  51  -9.332 -11.852  -6.918
  380   2HG2  THR  30          1HG2      THR  51  -9.590 -13.545  -7.322
  381   3HG2  THR  30          3HG2      THR  51  -7.956 -12.918  -7.129
   
  No H/Q in entry =         381
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1 -10.219  -0.205   1.343
    2   2H    GLY   1          3H        GLY   1 -11.660   0.630   1.679
    3   3H    GLY   1          2H        GLY   1 -11.607  -0.495   0.407
    4   1HA   GLY   1          2HA       GLY   1 -11.031   1.037  -0.979
    5   2HA   GLY   1          1HA       GLY   1 -11.087   2.217   0.358
    6    H    ILE   2           H        ILE   2  -9.090   0.216  -1.649
    7    HA   ILE   2           HA       ILE   2  -6.679   0.994  -0.221
    8    HB   ILE   2           HB       ILE   2  -6.254  -0.319  -2.778
    9   1HG1  ILE   2          2HG1      ILE   2  -6.836  -2.589  -1.569
   10   2HG1  ILE   2          1HG1      ILE   2  -8.098  -1.577  -0.828
   11   1HG2  ILE   2          2HG2      ILE   2  -4.485   0.037  -1.211
   12   2HG2  ILE   2          1HG2      ILE   2  -5.350  -0.893   0.007
   13   3HG2  ILE   2          3HG2      ILE   2  -4.758  -1.708  -1.436
   14   1HD1  ILE   2          2HD       ILE   2  -8.862  -0.918  -3.075
   15   2HD1  ILE   2          1HD       ILE   2  -7.604  -1.926  -3.781
   16   3HD1  ILE   2          3HD       ILE   2  -8.909  -2.688  -2.878
   17    H    VAL   3           H        VAL   3  -4.809   1.629  -1.668
   18    HA   VAL   3           HA       VAL   3  -5.328   4.237  -2.628
   19    HB   VAL   3           HB       VAL   3  -3.107   4.460  -2.660
   20   1HG1  VAL   3          2HG1      VAL   3  -3.029   3.264  -0.343
   21   2HG1  VAL   3          1HG1      VAL   3  -2.789   1.726  -1.165
   22   3HG1  VAL   3          3HG1      VAL   3  -1.530   2.954  -1.255
   23   1HG2  VAL   3          2HG2      VAL   3  -2.957   1.303  -2.912
   24   2HG2  VAL   3          1HG2      VAL   3  -2.753   2.282  -4.360
   25   3HG2  VAL   3          3HG2      VAL   3  -1.523   2.343  -3.102
   26    H    GLU   4           H        GLU   4  -3.672   4.353  -4.828
   27    HA   GLU   4           HA       GLU   4  -3.262   3.600  -6.993
   28   1HB   GLU   4          1HB       GLU   4  -5.914   2.174  -6.962
   29   2HB   GLU   4          2HB       GLU   4  -4.625   2.066  -8.183
   30   1HG   GLU   4          2HG       GLU   4  -3.440   0.570  -6.984
   31   2HG   GLU   4          1HG       GLU   4  -3.902   1.298  -5.425
   32    H    GLN   5           H        GLN   5  -6.080   5.260  -6.067
   33    HA   GLN   5           HA       GLN   5  -6.177   6.325  -8.789
   34   1HB   GLN   5          1HB       GLN   5  -8.304   5.771  -7.332
   35   2HB   GLN   5          2HB       GLN   5  -8.005   7.418  -6.728
   36   1HG   GLN   5          2HG       GLN   5  -7.704   7.606  -9.493
   37   2HG   GLN   5          1HG       GLN   5  -9.127   6.560  -9.257
   38   1HE2  GLN   5          1HE2      GLN   5 -10.143  10.113  -9.457
   39   2HE2  GLN   5          2HE2      GLN   5  -9.256   9.049 -10.439
   40    H    CYS   6           H        CYS   6  -3.893   6.790  -7.284
   41    HA   CYS   6           HA       CYS   6  -2.363   8.475  -7.327
   42   1HB   CYS   6          1HB       CYS   6  -4.589  10.439  -7.918
   43   2HB   CYS   6          2HB       CYS   6  -2.841  10.638  -8.203
   44    H    CYS   7           H        CYS   7  -3.009   7.559  -5.024
   45    HA   CYS   7           HA       CYS   7  -2.631   8.053  -2.831
   46   1HB   CYS   7          1HB       CYS   7  -0.876   9.590  -3.759
   47   2HB   CYS   7          2HB       CYS   7  -2.087  10.895  -3.691
   48    H    THR   8           H        THR   8  -5.000   7.608  -3.137
   49    HA   THR   8           HA       THR   8  -6.895   9.697  -3.034
   50    HB   THR   8           HB       THR   8  -8.462   7.896  -2.369
   51    HG1  THR   8           HG1      THR   8  -7.618   6.467  -1.090
   52   1HG2  THR   8          2HG2      THR   8  -7.534   7.705  -4.768
   53   2HG2  THR   8          1HG2      THR   8  -6.279   6.665  -4.102
   54   3HG2  THR   8          3HG2      THR   8  -7.956   6.131  -4.046
   55    H    SER   9           H        SER   9  -5.006   8.436  -0.416
   56    HA   SER   9           HA       SER   9  -6.402  10.369   1.302
   57   1HB   SER   9          2HB       SER   9  -6.348   8.699   3.162
   58   2HB   SER   9          1HB       SER   9  -7.413   8.219   1.818
   59    HG   SER   9           HG       SER   9  -5.392   6.903   2.912
   60    H    ILE  10           H        ILE  10  -3.737   8.168   1.937
   61    HA   ILE  10           HA       ILE  10  -2.141  10.534   2.641
   62    HB   ILE  10           HB       ILE  10  -2.677   8.140   4.428
   63   1HG1  ILE  10          2HG1      ILE  10  -3.103  10.479   5.846
   64   2HG1  ILE  10          1HG1      ILE  10  -3.783  10.822   4.239
   65   1HG2  ILE  10          2HG2      ILE  10  -0.367   8.618   4.591
   66   2HG2  ILE  10          1HG2      ILE  10  -0.724  10.312   4.902
   67   3HG2  ILE  10          3HG2      ILE  10  -1.225   9.100   6.076
   68   1HD1  ILE  10          2HD       ILE  10  -5.128   8.762   4.389
   69   2HD1  ILE  10          1HD       ILE  10  -4.439   8.448   5.978
   70   3HD1  ILE  10          3HD       ILE  10  -5.475   9.853   5.755
   71    H    CYS  11           H        CYS  11  -2.218   7.566   1.146
   72    HA   CYS  11           HA       CYS  11  -0.573   6.165   0.394
   73   1HB   CYS  11          1HB       CYS  11   1.258   7.512  -0.881
   74   2HB   CYS  11          2HB       CYS  11  -0.414   7.451  -1.491
   75    H    SER  12           H        SER  12  -0.056   5.486   2.472
   76    HA   SER  12           HA       SER  12   2.561   6.430   3.427
   77   1HB   SER  12          2HB       SER  12   1.963   4.830   5.382
   78   2HB   SER  12          1HB       SER  12   1.151   6.412   5.269
   79    HG   SER  12           HG       SER  12   0.086   3.973   5.307
   80    H    LEU  13           H        LEU  13   4.287   5.348   2.881
   81    HA   LEU  13           HA       LEU  13   4.087   3.024   1.246
   82   1HB   LEU  13          1HB       LEU  13   6.676   3.785   2.495
   83   2HB   LEU  13          2HB       LEU  13   6.320   3.255   0.834
   84    HG   LEU  13           HG       LEU  13   5.118   5.678   0.910
   85   1HD1  LEU  13          2HD1      LEU  13   6.048   6.212   3.127
   86   2HD1  LEU  13          1HD1      LEU  13   7.665   5.897   2.505
   87   3HD1  LEU  13          3HD1      LEU  13   6.752   7.259   1.869
   88   1HD2  LEU  13          2HD2      LEU  13   7.900   5.021   0.019
   89   2HD2  LEU  13          1HD2      LEU  13   6.400   4.824  -0.880
   90   3HD2  LEU  13          3HD2      LEU  13   6.949   6.445  -0.470
   91    H    TYR  14           H        TYR  14   4.739   3.284   4.641
   92    HA   TYR  14           HA       TYR  14   5.610   0.587   4.892
   93   1HB   TYR  14          1HB       TYR  14   6.026   2.214   6.631
   94   2HB   TYR  14          2HB       TYR  14   4.274   2.437   6.869
   95    HD1  TYR  14           HD1      TYR  14   6.951  -0.153   7.038
   96    HD2  TYR  14           HD2      TYR  14   3.163   1.165   8.478
   97    HE1  TYR  14           HE1      TYR  14   6.923  -2.045   8.721
   98    HE2  TYR  14           HE2      TYR  14   3.148  -0.733  10.154
   99    HH   TYR  14           HH       TYR  14   4.208  -2.421  10.906
  100    H    GLN  15           H        GLN  15   2.537   2.125   4.596
  101    HA   GLN  15           HA       GLN  15   0.963  -0.090   5.522
  102   1HB   GLN  15          1HB       GLN  15   0.477   2.600   4.450
  103   2HB   GLN  15          2HB       GLN  15  -0.733   1.390   3.962
  104   1HG   GLN  15          2HG       GLN  15  -0.941   0.758   6.372
  105   2HG   GLN  15          1HG       GLN  15   0.090   2.157   6.761
  106   1HE2  GLN  15          1HE2      GLN  15  -3.270   3.309   7.318
  107   2HE2  GLN  15          2HE2      GLN  15  -2.123   2.260   8.000
  108    H    LEU  16           H        LEU  16   2.251   0.853   2.430
  109    HA   LEU  16           HA       LEU  16   0.606  -1.139   1.073
  110   1HB   LEU  16          1HB       LEU  16   0.940   0.149  -0.660
  111   2HB   LEU  16          2HB       LEU  16   2.081   1.139   0.278
  112    HG   LEU  16           HG       LEU  16   3.034  -1.318  -1.102
  113   1HD1  LEU  16          2HD1      LEU  16   1.753  -0.066  -2.806
  114   2HD1  LEU  16          1HD1      LEU  16   2.633   1.395  -2.370
  115   3HD1  LEU  16          3HD1      LEU  16   3.503   0.057  -3.112
  116   1HD2  LEU  16          2HD2      LEU  16   4.361   1.268  -0.404
  117   2HD2  LEU  16          1HD2      LEU  16   4.524  -0.281   0.414
  118   3HD2  LEU  16          3HD2      LEU  16   5.111  -0.116  -1.237
  119    H    GLU  17           H        GLU  17   3.452  -1.180   2.804
  120    HA   GLU  17           HA       GLU  17   4.470  -3.559   1.538
  121   1HB   GLU  17          1HB       GLU  17   5.383  -1.742   3.541
  122   2HB   GLU  17          2HB       GLU  17   5.454  -3.400   4.181
  123   1HG   GLU  17          2HG       GLU  17   7.374  -3.638   3.062
  124   2HG   GLU  17          1HG       GLU  17   6.415  -3.573   1.563
  125    H    ASN  18           H        ASN  18   1.972  -2.910   3.698
  126    HA   ASN  18           HA       ASN  18   2.022  -5.447   5.050
  127   1HB   ASN  18          1HB       ASN  18   0.567  -4.482   6.429
  128   2HB   ASN  18          2HB       ASN  18   0.639  -3.017   5.418
  129   1HD2  ASN  18          1HD2      ASN  18  -2.344  -3.564   3.691
  130   2HD2  ASN  18          2HD2      ASN  18  -0.802  -2.860   3.630
  131    H    TYR  19           H        TYR  19   0.890  -4.366   2.020
  132    HA   TYR  19           HA       TYR  19  -1.253  -6.222   1.691
  133   1HB   TYR  19          1HB       TYR  19   0.542  -4.983  -0.385
  134   2HB   TYR  19          2HB       TYR  19  -1.086  -5.661  -0.638
  135    HD1  TYR  19           HD2      TYR  19  -2.353  -4.304   1.813
  136    HD2  TYR  19           HD1      TYR  19   0.141  -2.871  -1.332
  137    HE1  TYR  19           HE2      TYR  19  -3.320  -1.978   2.092
  138    HE2  TYR  19           HE1      TYR  19  -0.847  -0.556  -1.054
  139    HH   TYR  19           HH       TYR  19  -3.228   0.050   1.447
  140    H    CYS  20           H        CYS  20   2.176  -6.400   1.615
  141    HA   CYS  20           HA       CYS  20   2.371  -8.764  -0.044
  142   1HB   CYS  20          1HB       CYS  20   4.551  -7.492   1.635
  143   2HB   CYS  20          2HB       CYS  20   4.737  -8.519   0.192
  144    H    ASN  21           H        ASN  21   1.304  -8.364   2.978
  145    HA   ASN  21           HA       ASN  21   2.645 -10.068   4.646
  146   1HB   ASN  21          1HB       ASN  21   0.354 -10.679   5.580
  147   2HB   ASN  21          2HB       ASN  21   0.771  -8.948   5.545
  148   1HD2  ASN  21          1HD2      ASN  21  -1.573 -10.087   2.406
  149   2HD2  ASN  21          2HD2      ASN  21  -0.076 -10.817   2.731
  150   1H    PHE   1          1H        PHE  22   8.286  11.120   2.155
  151   2H    PHE   1          3H        PHE  22   7.236  10.558   3.365
  152   3H    PHE   1          2H        PHE  22   7.343   9.732   1.885
  153    HA   PHE   1           HA       PHE  22   5.722  10.921   1.095
  154   1HB   PHE   1          2HB       PHE  22   4.941  11.027   3.373
  155   2HB   PHE   1          1HB       PHE  22   6.050  12.377   3.725
  156    HD1  PHE   1           HD1      PHE  22   5.557  14.601   2.936
  157    HD2  PHE   1           HD2      PHE  22   2.890  11.405   2.212
  158    HE1  PHE   1           HE1      PHE  22   3.770  16.234   2.306
  159    HE2  PHE   1           HE2      PHE  22   1.102  13.036   1.584
  160    HZ   PHE   1           HZ       PHE  22   1.567  15.431   1.635
  161    H    VAL   2           H        VAL  23   6.405  12.020  -0.658
  162    HA   VAL   2           HA       VAL  23   7.161  14.809  -0.369
  163    HB   VAL   2           HB       VAL  23   9.290  14.556  -0.708
  164   1HG1  VAL   2          2HG1      VAL  23   9.659  12.197   0.348
  165   2HG1  VAL   2          1HG1      VAL  23   9.296  11.462  -1.210
  166   3HG1  VAL   2          3HG1      VAL  23  10.751  12.437  -1.038
  167   1HG2  VAL   2          2HG2      VAL  23   8.552  12.231  -2.724
  168   2HG2  VAL   2          1HG2      VAL  23   8.654  13.885  -3.317
  169   3HG2  VAL   2          3HG2      VAL  23  10.120  13.074  -2.777
  170    H    ASN   3           H        ASN  24   7.343  15.858  -2.532
  171    HA   ASN   3           HA       ASN  24   4.980  15.370  -3.991
  172   1HB   ASN   3          1HB       ASN  24   7.057  17.325  -4.050
  173   2HB   ASN   3          2HB       ASN  24   6.738  16.746  -5.704
  174   1HD2  ASN   3          1HD2      ASN  24   3.903  18.747  -3.510
  175   2HD2  ASN   3          2HD2      ASN  24   5.230  17.986  -2.776
  176    H    GLN   4           H        GLN  25   4.856  13.375  -4.892
  177    HA   GLN   4           HA       GLN  25   6.866  12.582  -6.892
  178   1HB   GLN   4          1HB       GLN  25   7.204  11.454  -4.609
  179   2HB   GLN   4          2HB       GLN  25   5.632  10.664  -4.872
  180   1HG   GLN   4          2HG       GLN  25   6.429   9.338  -6.553
  181   2HG   GLN   4          1HG       GLN  25   7.684  10.513  -7.022
  182   1HE2  GLN   4          1HE2      GLN  25  10.131   8.656  -5.557
  183   2HE2  GLN   4          2HE2      GLN  25   9.545   9.562  -6.866
  184    H    HIS   5           H        HIS  26   4.635  13.698  -7.793
  185    HA   HIS   5           HA       HIS  26   2.191  12.967  -8.116
  186   1HB   HIS   5          1HB       HIS  26   4.052  13.092 -10.480
  187   2HB   HIS   5          2HB       HIS  26   2.291  13.359 -10.500
  188    HD1  HIS   5           HD1      HIS  26   3.387  15.583 -11.759
  189    HD2  HIS   5           HD2      HIS  26   3.620  15.358  -7.617
  190    HE1  HIS   5           HE1      HIS  26   3.775  17.947 -10.951
  191    H    LEU   6           H        LEU  27   2.205  10.984  -7.086
  192    HA   LEU   6           HA       LEU  27   2.666   8.591  -8.662
  193   1HB   LEU   6          1HB       LEU  27   2.069   9.250  -5.838
  194   2HB   LEU   6          2HB       LEU  27   1.519   7.671  -6.445
  195    HG   LEU   6           HG       LEU  27   4.349   8.661  -6.259
  196   1HD1  LEU   6          2HD1      LEU  27   3.348   7.942  -4.116
  197   2HD1  LEU   6          1HD1      LEU  27   2.862   6.428  -4.870
  198   3HD1  LEU   6          3HD1      LEU  27   4.576   6.774  -4.666
  199   1HD2  LEU   6          2HD2      LEU  27   3.347   6.097  -7.431
  200   2HD2  LEU   6          1HD2      LEU  27   4.119   7.437  -8.272
  201   3HD2  LEU   6          3HD2      LEU  27   5.047   6.512  -7.096
  202    H    CYS   7           H        CYS  28   1.301   7.746  -9.953
  203    HA   CYS   7           HA       CYS  28  -1.560   7.965  -9.395
  204   1HB   CYS   7          1HB       CYS  28  -0.230   9.260 -11.654
  205   2HB   CYS   7          2HB       CYS  28  -1.595   8.209 -12.108
  206    H    GLY   8           H        GLY  29  -2.503   6.143  -9.564
  207   1HA   GLY   8          1HA       GLY  29  -2.177   3.824  -9.274
  208   2HA   GLY   8          2HA       GLY  29  -2.913   4.128 -10.871
  209    H    SER   9           H        SER  30  -0.905   4.442 -12.589
  210    HA   SER   9           HA       SER  30  -0.032   1.849 -13.025
  211   1HB   SER   9          2HB       SER  30   1.707   4.053 -13.999
  212   2HB   SER   9          1HB       SER  30   1.119   2.597 -14.841
  213    HG   SER   9           HG       SER  30   0.172   5.077 -14.908
  214    H    HIS  10           H        HIS  31   1.532   4.222 -11.103
  215    HA   HIS  10           HA       HIS  31   3.900   2.563 -10.739
  216   1HB   HIS  10          1HB       HIS  31   3.110   5.328  -9.836
  217   2HB   HIS  10          2HB       HIS  31   4.569   4.506  -9.230
  218    HD1  HIS  10           HD1      HIS  31   4.589   7.168 -10.952
  219    HD2  HIS  10           HD2      HIS  31   5.239   3.323 -12.393
  220    HE1  HIS  10           HE1      HIS  31   5.914   7.436 -13.088
  221    H    LEU  11           H        LEU  32   1.010   3.501  -9.039
  222    HA   LEU  11           HA       LEU  32   1.729   2.496  -6.515
  223   1HB   LEU  11          1HB       LEU  32  -0.932   2.806  -7.839
  224   2HB   LEU  11          2HB       LEU  32  -0.755   2.092  -6.220
  225    HG   LEU  11           HG       LEU  32  -1.398   4.350  -5.940
  226   1HD1  LEU  11          2HD1      LEU  32   0.361   3.597  -4.393
  227   2HD1  LEU  11          1HD1      LEU  32   1.580   4.159  -5.533
  228   3HD1  LEU  11          3HD1      LEU  32   0.525   5.335  -4.755
  229   1HD2  LEU  11          2HD2      LEU  32   0.760   5.097  -7.873
  230   2HD2  LEU  11          1HD2      LEU  32  -0.982   5.137  -8.123
  231   3HD2  LEU  11          3HD2      LEU  32  -0.259   6.230  -6.948
  232    H    VAL  12           H        VAL  33   0.654   0.951  -9.424
  233    HA   VAL  12           HA       VAL  33   0.526  -1.639  -8.122
  234    HB   VAL  12           HB       VAL  33  -0.324  -0.555 -10.634
  235   1HG1  VAL  12          2HG1      VAL  33   1.266  -2.120 -12.000
  236   2HG1  VAL  12          1HG1      VAL  33   0.669  -3.498 -11.083
  237   3HG1  VAL  12          3HG1      VAL  33  -0.426  -2.652 -12.168
  238   1HG2  VAL  12          2HG2      VAL  33  -0.311  -3.531  -9.540
  239   2HG2  VAL  12          1HG2      VAL  33  -1.533  -2.411  -8.947
  240   3HG2  VAL  12          3HG2      VAL  33  -1.586  -2.930 -10.629
  241    H    GLU  13           H        GLU  34   2.637  -0.087 -10.539
  242    HA   GLU  13           HA       GLU  34   4.341  -2.351 -10.686
  243   1HB   GLU  13          1HB       GLU  34   4.295  -0.047 -12.106
  244   2HB   GLU  13          2HB       GLU  34   5.720   0.201 -11.070
  245   1HG   GLU  13          2HG       GLU  34   5.503  -2.473 -12.293
  246   2HG   GLU  13          1HG       GLU  34   5.777  -1.133 -13.434
  247    H    ALA  14           H        ALA  35   3.887  -0.159  -8.201
  248    HA   ALA  14           HA       ALA  35   6.472  -0.716  -6.986
  249   1HB   ALA  14          2HB       ALA  35   5.433   1.529  -6.773
  250   2HB   ALA  14          1HB       ALA  35   4.040   0.791  -5.988
  251   3HB   ALA  14          3HB       ALA  35   5.600   0.761  -5.173
  252    H    LEU  15           H        LEU  36   3.159  -1.261  -5.871
  253    HA   LEU  15           HA       LEU  36   4.157  -3.029  -3.799
  254   1HB   LEU  15          1HB       LEU  36   2.331  -2.182  -2.939
  255   2HB   LEU  15          2HB       LEU  36   1.671  -1.766  -4.538
  256    HG   LEU  15           HG       LEU  36   1.027  -3.997  -2.729
  257   1HD1  LEU  15          2HD1      LEU  36  -0.399  -1.965  -2.953
  258   2HD1  LEU  15          1HD1      LEU  36  -0.502  -2.249  -4.688
  259   3HD1  LEU  15          3HD1      LEU  36  -1.249  -3.398  -3.584
  260   1HD2  LEU  15          2HD2      LEU  36   0.729  -4.418  -5.629
  261   2HD2  LEU  15          1HD2      LEU  36   1.713  -5.322  -4.484
  262   3HD2  LEU  15          3HD2      LEU  36  -0.039  -5.338  -4.311
  263    H    TYR  16           H        TYR  37   2.882  -3.485  -6.947
  264    HA   TYR  16           HA       TYR  37   2.736  -6.345  -6.767
  265   1HB   TYR  16          1HB       TYR  37   1.710  -4.473  -8.309
  266   2HB   TYR  16          2HB       TYR  37   3.161  -4.817  -9.282
  267    HD1  TYR  16           HD1      TYR  37   3.437  -7.237 -10.104
  268    HD2  TYR  16           HD2      TYR  37  -0.244  -5.591  -8.724
  269    HE1  TYR  16           HE1      TYR  37   2.152  -8.929 -11.484
  270    HE2  TYR  16           HE2      TYR  37  -1.515  -7.283 -10.111
  271    HH   TYR  16           HH       TYR  37   0.228  -9.635 -12.041
  272    H    LEU  17           H        LEU  38   5.351  -4.129  -7.492
  273    HA   LEU  17           HA       LEU  38   7.008  -6.396  -8.347
  274   1HB   LEU  17          1HB       LEU  38   6.972  -4.199  -9.586
  275   2HB   LEU  17          2HB       LEU  38   7.776  -3.485  -8.168
  276    HG   LEU  17           HG       LEU  38   9.173  -4.121 -10.232
  277   1HD1  LEU  17          2HD1      LEU  38  10.112  -3.415  -8.061
  278   2HD1  LEU  17          1HD1      LEU  38   9.946  -5.065  -7.471
  279   3HD1  LEU  17          3HD1      LEU  38  11.080  -4.729  -8.775
  280   1HD2  LEU  17          2HD2      LEU  38   8.831  -6.853  -9.086
  281   2HD2  LEU  17          1HD2      LEU  38   8.300  -6.258 -10.656
  282   3HD2  LEU  17          3HD2      LEU  38  10.024  -6.360 -10.315
  283    H    VAL  18           H        VAL  39   6.602  -4.437  -5.562
  284    HA   VAL  18           HA       VAL  39   9.176  -5.308  -4.478
  285    HB   VAL  18           HB       VAL  39   7.121  -3.595  -3.132
  286   1HG1  VAL  18          2HG1      VAL  39   9.216  -3.652  -1.593
  287   2HG1  VAL  18          1HG1      VAL  39  10.184  -3.009  -2.916
  288   3HG1  VAL  18          3HG1      VAL  39   8.930  -2.002  -2.200
  289   1HG2  VAL  18          2HG2      VAL  39   9.773  -2.902  -4.723
  290   2HG2  VAL  18          1HG2      VAL  39   8.213  -2.624  -5.490
  291   3HG2  VAL  18          3HG2      VAL  39   8.682  -1.632  -4.113
  292    H    CYS  19           H        CYS  40   6.091  -6.588  -4.248
  293    HA   CYS  19           HA       CYS  40   6.267  -7.356  -1.511
  294   1HB   CYS  19          1HB       CYS  40   4.615  -8.458  -3.761
  295   2HB   CYS  19          2HB       CYS  40   4.619  -9.176  -2.131
  296    H    GLY  20           H        GLY  41   7.384  -8.908  -4.437
  297   1HA   GLY  20          1HA       GLY  41   9.275 -10.213  -4.638
  298   2HA   GLY  20          2HA       GLY  41   9.443 -10.184  -2.863
  299    H    GLU  21           H        GLU  42   6.923 -11.188  -2.211
  300    HA   GLU  21           HA       GLU  42   6.645 -13.759  -3.554
  301   1HB   GLU  21          1HB       GLU  42   6.372 -14.359  -0.826
  302   2HB   GLU  21          2HB       GLU  42   7.566 -14.990  -1.984
  303   1HG   GLU  21          2HG       GLU  42   9.201 -13.505  -1.302
  304   2HG   GLU  21          1HG       GLU  42   8.016 -12.365  -0.615
  305    H    ARG  22           H        ARG  43   5.182 -11.555  -3.818
  306    HA   ARG  22           HA       ARG  43   3.106 -10.969  -2.117
  307   1HB   ARG  22          1HB       ARG  43   2.244  -9.768  -3.832
  308   2HB   ARG  22          2HB       ARG  43   3.798 -10.158  -4.606
  309   1HG   ARG  22          2HG       ARG  43   1.309 -11.818  -4.922
  310   2HG   ARG  22          1HG       ARG  43   1.786 -10.522  -6.045
  311   1HD   ARG  22          2HD       ARG  43   4.074 -12.073  -5.762
  312   2HD   ARG  22          1HD       ARG  43   2.744 -13.252  -5.862
  313    HE   ARG  22           HE       ARG  43   3.227 -11.136  -7.883
  314   1HH1  ARG  22          1HH1      ARG  43   1.190 -11.711  -9.273
  315   2HH1  ARG  22          2HH1      ARG  43   1.271 -13.304  -9.946
  316   1HH2  ARG  22          2HH2      ARG  43   3.809 -14.412  -7.780
  317   2HH2  ARG  22          1HH2      ARG  43   2.772 -14.860  -9.094
  318    H    GLY  23           H        GLY  44   1.076 -11.469  -1.783
  319   1HA   GLY  23          1HA       GLY  44  -0.083 -13.867  -2.972
  320   2HA   GLY  23          2HA       GLY  44   0.171 -13.868  -1.206
  321    H    PHE  24           H        PHE  45  -0.564 -11.120  -3.180
  322    HA   PHE  24           HA       PHE  45  -3.044 -10.560  -1.626
  323   1HB   PHE  24          1HB       PHE  45  -2.385  -8.384  -1.866
  324   2HB   PHE  24          2HB       PHE  45  -0.803  -9.166  -2.113
  325    HD1  PHE  24           HD2      PHE  45  -0.129  -9.629  -4.519
  326    HD2  PHE  24           HD1      PHE  45  -3.173  -6.901  -3.444
  327    HE1  PHE  24           HE2      PHE  45   0.092  -8.508  -6.741
  328    HE2  PHE  24           HE1      PHE  45  -2.952  -5.779  -5.668
  329    HZ   PHE  24           HZ       PHE  45  -1.323  -6.597  -7.290
  330    H    PHE  25           H        PHE  46  -4.445  -9.056  -3.471
  331    HA   PHE  25           HA       PHE  46  -5.236 -11.130  -5.435
  332   1HB   PHE  25          1HB       PHE  46  -6.577  -9.884  -3.252
  333   2HB   PHE  25          2HB       PHE  46  -7.356  -9.351  -4.763
  334    HD1  PHE  25           HD2      PHE  46  -5.828 -12.618  -3.921
  335    HD2  PHE  25           HD1      PHE  46  -9.369 -10.487  -4.803
  336    HE1  PHE  25           HE2      PHE  46  -7.099 -14.769  -4.008
  337    HE2  PHE  25           HE1      PHE  46 -10.641 -12.638  -4.895
  338    HZ   PHE  25           HZ       PHE  46  -9.491 -14.753  -4.497
  339    H    TYR  26           H        TYR  47  -6.362 -10.224  -7.322
  340    HA   TYR  26           HA       TYR  47  -6.138  -7.424  -7.928
  341   1HB   TYR  26          1HB       TYR  47  -3.833  -8.569  -8.329
  342   2HB   TYR  26          2HB       TYR  47  -4.633  -9.217  -9.782
  343    HD1  TYR  26           HD1      TYR  47  -4.086  -5.989  -7.984
  344    HD2  TYR  26           HD2      TYR  47  -4.564  -7.955 -11.734
  345    HE1  TYR  26           HE1      TYR  47  -3.745  -3.788  -9.189
  346    HE2  TYR  26           HE2      TYR  47  -4.220  -5.748 -12.927
  347    HH   TYR  26           HH       TYR  47  -3.634  -2.822 -11.085
  348    H    THR  27           H        THR  48  -8.379  -8.357  -7.845
  349    HA   THR  27           HA       THR  48  -9.288  -9.465 -10.424
  350    HB   THR  27           HB       THR  48 -11.153 -10.376  -9.013
  351    HG1  THR  27           HG1      THR  48 -10.215  -9.517  -6.650
  352   1HG2  THR  27          2HG2      THR  48  -8.870 -11.584  -8.762
  353   2HG2  THR  27          1HG2      THR  48  -8.563 -10.514  -7.398
  354   3HG2  THR  27          3HG2      THR  48  -9.878 -11.681  -7.296
  355    HA   PRO  28           HA       PRO  49 -10.414  -4.736  -9.457
  356   1HB   PRO  28          1HB       PRO  49  -9.911  -5.144 -12.431
  357   2HB   PRO  28          2HB       PRO  49  -9.785  -3.638 -11.493
  358   1HG   PRO  28          2HG       PRO  49  -7.622  -5.188 -12.005
  359   2HG   PRO  28          1HG       PRO  49  -7.797  -4.287 -10.481
  360   1HD   PRO  28          1HD       PRO  49  -7.863  -7.189 -10.920
  361   2HD   PRO  28          2HD       PRO  49  -7.780  -6.292  -9.382
  362    H    LYS  29           H        LYS  50 -12.260  -4.524  -8.832
  363    HA   LYS  29           HA       LYS  50 -14.430  -4.768 -10.748
  364   1HB   LYS  29          1HB       LYS  50 -13.989  -6.702  -8.643
  365   2HB   LYS  29          2HB       LYS  50 -15.558  -5.881  -8.476
  366   1HG   LYS  29          2HG       LYS  50 -15.412  -6.453 -11.169
  367   2HG   LYS  29          1HG       LYS  50 -14.699  -7.888 -10.395
  368   1HD   LYS  29          2HD       LYS  50 -16.658  -8.508  -9.445
  369   2HD   LYS  29          1HD       LYS  50 -17.177  -6.826  -9.182
  370   1HE   LYS  29          2HE       LYS  50 -18.387  -6.825 -11.062
  371   2HE   LYS  29          1HE       LYS  50 -17.043  -7.519 -12.002
  372   1HZ   LYS  29          1HZ       LYS  50 -18.064  -9.484 -10.326
  373   2HZ   LYS  29          3HZ       LYS  50 -19.375  -8.758 -11.127
  374   3HZ   LYS  29          2HZ       LYS  50 -18.093  -9.419 -12.023
  375    H    THR  30           H        THR  51 -13.167  -2.581  -9.894
  376    HA   THR  30           HA       THR  51 -14.526  -1.383  -7.637
  377    HB   THR  30           HB       THR  51 -12.812   0.015  -9.711
  378    HG1  THR  30           HG1      THR  51 -11.496  -0.938  -7.573
  379   1HG2  THR  30          2HG2      THR  51 -13.787   1.338  -7.698
  380   2HG2  THR  30          1HG2      THR  51 -12.956   0.184  -6.660
  381   3HG2  THR  30          3HG2      THR  51 -12.008   1.254  -7.687
   
  No H/Q in entry =         381